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 2eha_1_B DATA FIRST_RESID 1 DATA SEQUENCE SWEVGcGAPV PLVTcDEQSP YRTITGDcNN RRSPALGAAN RALARWLPAE DATA SEQUENCE YEDGLAVPFG WTQRKTRNGF RVPLAREVSN KIVGYLDEEG VLDQNRSLLF DATA SEQUENCE MQWGQIVDHD LDFAPETELG SSEHSKVQcE EYcVQGDEcF PIMFPKNDPK DATA SEQUENCE LKTQGKcMPF FRAGFVcPTP PYQSLARDQI NAVTSFLDAS LVYGSEPSLA DATA SEQUENCE SRLRNLSSPL GLMAVNQEAW DHGLAYPPFN NVKPSPcEFI NTTAHVPcFQ DATA SEQUENCE AGDSRASEQI LLATVHTLLL REHNRLAREL KRLNPHWDGE MLYQEARKIL DATA SEQUENCE GAFIQIITFR DYLPIVLGSE MQKWIPPYQG YNNSVDPRIS NVFTFAFRFG DATA SEQUENCE HMEVPSTVSR LDENYQPWGP EAELPLHTLF FNTWRIIKDG GIDPLVRGLL DATA SEQUENCE AKNSKLMNQN KMVTSELRNK LFQPTHKVHG FDLAAINLQR CRDHGMPGYN DATA SEQUENCE SWRGFcGLSQ PKTLKGLQAV LKNKVLAKKL LDLYKTPDNI DIWIGGNAEP DATA SEQUENCE MVERGRVGPL LAcLLGRQFQ QIRDGDRFWW ENPGVFTEKQ RDSLQKVSFS DATA SEQUENCE RLIcDNTHIT KVPLHAFQAN NYPHDFVDcS AVDKLDLSPW ASREN 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 1 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.702 174.600 0.169 0.000 1.055 1 S CA 0.000 58.341 58.200 0.235 0.000 1.107 1 S CB 0.000 63.352 63.200 0.254 0.000 0.593 2 W N 0.777 122.091 121.300 0.023 0.000 2.488 2 W HA 0.385 5.045 4.660 -0.000 0.000 0.304 2 W C 1.003 177.540 176.519 0.029 0.000 1.175 2 W CA 0.766 58.122 57.345 0.019 0.000 1.365 2 W CB 0.065 29.537 29.460 0.019 0.000 1.131 2 W HN 0.770 nan 8.180 nan 0.000 0.520 3 E N -0.136 120.244 120.200 0.299 0.000 2.388 3 E HA 0.070 4.420 4.350 0.000 0.000 0.289 3 E C 0.276 176.968 176.600 0.152 0.000 0.944 3 E CA -0.017 56.491 56.400 0.180 0.000 0.792 3 E CB 2.375 32.173 29.700 0.163 0.000 1.239 3 E HN -0.088 nan 8.360 nan 0.000 0.412 4 V N 0.792 120.775 119.914 0.115 0.000 3.129 4 V HA 0.358 4.478 4.120 0.000 0.000 0.259 4 V C 0.792 176.936 176.094 0.083 0.000 1.116 4 V CA 1.294 63.652 62.300 0.097 0.000 1.127 4 V CB 0.315 32.187 31.823 0.081 0.000 0.742 4 V HN 0.518 nan 8.190 nan 0.000 0.474 5 G N -1.119 107.729 108.800 0.080 0.000 4.876 5 G HA2 0.412 4.372 3.960 0.000 0.000 0.304 5 G HA3 0.412 4.372 3.960 0.000 0.000 0.304 5 G C -0.268 174.670 174.900 0.064 0.000 1.396 5 G CA 0.143 45.283 45.100 0.066 0.000 0.978 5 G HN 0.303 nan 8.290 nan 0.000 0.565 6 c N -0.220 118.422 118.600 0.070 0.000 2.062 6 c HA 0.941 5.511 4.570 0.000 0.000 0.333 6 c C 1.348 175.456 174.090 0.031 0.000 2.881 6 c CA 1.099 57.464 56.329 0.060 0.000 1.825 6 c CB 0.470 43.030 42.510 0.083 0.000 2.184 6 c HN 1.538 nan 8.230 nan 0.000 0.359 7 G N -0.322 108.480 108.800 0.003 0.000 3.039 7 G HA2 0.393 4.353 3.960 0.000 0.000 0.686 7 G HA3 0.393 4.353 3.960 0.000 0.000 0.686 7 G C -0.721 174.161 174.900 -0.031 0.000 1.066 7 G CA -0.069 45.020 45.100 -0.017 0.000 0.774 7 G HN 1.644 nan 8.290 nan 0.000 0.591 8 A N 4.236 127.022 122.820 -0.056 0.000 2.801 8 A HA 0.801 5.122 4.320 0.000 0.000 0.344 8 A C -0.896 176.661 177.584 -0.046 0.000 1.322 8 A CA -0.640 51.361 52.037 -0.059 0.000 0.913 8 A CB 0.333 19.276 19.000 -0.095 0.000 1.140 8 A HN 0.688 nan 8.150 nan 0.000 0.487 9 P HA 0.327 nan 4.420 nan 0.000 0.329 9 P C -0.357 176.938 177.300 -0.007 0.000 1.319 9 P CA -0.491 62.604 63.100 -0.009 0.000 0.742 9 P CB 0.494 32.199 31.700 0.009 0.000 1.564 10 V N 1.786 121.703 119.914 0.006 0.000 2.304 10 V HA 0.199 4.319 4.120 0.000 0.000 0.262 10 V C -1.951 174.149 176.094 0.011 0.000 1.061 10 V CA -1.300 61.005 62.300 0.008 0.000 0.872 10 V CB -0.159 31.674 31.823 0.017 0.000 1.077 10 V HN 0.500 nan 8.190 nan 0.000 0.480 11 P HA 0.026 nan 4.420 nan 0.000 0.269 11 P C 0.410 177.717 177.300 0.012 0.000 1.200 11 P CA 0.044 63.149 63.100 0.007 0.000 0.779 11 P CB 0.200 31.900 31.700 0.001 0.000 0.841 12 L N -1.602 119.630 121.223 0.014 0.000 3.839 12 L HA -0.198 4.142 4.340 0.000 0.000 0.416 12 L C -0.125 176.756 176.870 0.019 0.000 1.195 12 L CA 0.428 55.277 54.840 0.015 0.000 0.946 12 L CB -2.608 39.457 42.059 0.011 0.000 1.891 12 L HN 0.062 nan 8.230 nan 0.000 0.963 13 V N -0.134 119.795 119.914 0.025 0.000 2.368 13 V HA 0.474 4.594 4.120 0.000 0.000 0.266 13 V C 1.053 177.167 176.094 0.033 0.000 1.045 13 V CA 0.325 62.642 62.300 0.029 0.000 0.899 13 V CB 1.117 32.961 31.823 0.036 0.000 1.006 13 V HN 0.429 nan 8.190 nan 0.000 0.470 14 T N 1.639 116.210 114.554 0.028 0.000 2.756 14 T HA 0.326 4.676 4.350 0.000 0.000 0.290 14 T C -0.008 174.710 174.700 0.031 0.000 0.985 14 T CA -0.617 61.501 62.100 0.029 0.000 0.955 14 T CB 0.433 69.315 68.868 0.024 0.000 0.930 14 T HN 0.599 nan 8.240 nan 0.000 0.451 15 c N 3.878 122.501 118.600 0.038 0.000 2.419 15 c HA 0.001 4.571 4.570 0.000 0.000 0.398 15 c C 1.821 175.930 174.090 0.032 0.000 1.498 15 c CA 0.039 56.392 56.329 0.041 0.000 1.494 15 c CB -1.507 41.034 42.510 0.051 0.000 2.485 15 c HN 1.009 nan 8.230 nan 0.000 0.608 16 D N 0.543 120.962 120.400 0.031 0.000 2.392 16 D HA -0.051 4.589 4.640 0.000 0.000 0.228 16 D C 1.603 177.913 176.300 0.017 0.000 1.003 16 D CA 0.811 54.824 54.000 0.021 0.000 0.917 16 D CB -0.034 40.778 40.800 0.018 0.000 0.890 16 D HN 0.793 nan 8.370 nan 0.000 0.532 17 E N -0.934 119.282 120.200 0.027 0.000 3.436 17 E HA -0.326 4.024 4.350 0.000 0.000 0.284 17 E C 0.653 177.256 176.600 0.005 0.000 0.830 17 E CA 1.538 57.951 56.400 0.021 0.000 0.908 17 E CB -0.574 29.136 29.700 0.016 0.000 1.458 17 E HN 0.368 nan 8.360 nan 0.000 0.467 18 Q N -1.618 118.180 119.800 -0.004 0.000 1.977 18 Q HA 0.189 4.529 4.340 0.000 0.000 0.214 18 Q C -0.026 175.943 176.000 -0.053 0.000 0.740 18 Q CA 0.560 56.344 55.803 -0.030 0.000 0.893 18 Q CB 0.757 29.476 28.738 -0.033 0.000 1.203 18 Q HN 0.129 nan 8.270 nan 0.000 0.436 19 S N 3.099 118.777 115.700 -0.036 0.000 2.558 19 S HA 0.094 4.564 4.470 0.000 0.000 0.288 19 S C -1.768 172.763 174.600 -0.115 0.000 1.318 19 S CA -0.493 57.656 58.200 -0.085 0.000 1.056 19 S CB 0.624 63.809 63.200 -0.024 0.000 0.853 19 S HN 0.023 nan 8.310 nan 0.000 0.505 20 P HA 0.252 nan 4.420 nan 0.000 0.266 20 P C -1.133 175.936 177.300 -0.386 0.000 1.381 20 P CA 0.151 63.019 63.100 -0.387 0.000 0.940 20 P CB -0.119 31.221 31.700 -0.600 0.000 1.435 21 Y N -0.236 120.076 120.300 0.019 0.000 2.446 21 Y HA 0.474 5.024 4.550 0.000 0.000 0.345 21 Y C 1.117 176.754 175.900 -0.438 0.000 0.984 21 Y CA -1.519 56.473 58.100 -0.180 0.000 1.058 21 Y CB 1.890 40.273 38.460 -0.128 0.000 1.220 21 Y HN -0.360 nan 8.280 nan 0.000 0.455 22 R N 0.544 120.688 120.500 -0.592 0.000 2.738 22 R HA 0.237 4.577 4.340 0.000 0.000 0.268 22 R C 0.136 176.274 176.300 -0.271 0.000 1.062 22 R CA -0.236 55.423 56.100 -0.736 0.000 1.158 22 R CB 0.268 30.186 30.300 -0.637 0.000 1.046 22 R HN 0.695 nan 8.270 nan 0.000 0.493 23 T N -1.573 112.874 114.554 -0.178 0.000 2.847 23 T HA 0.207 4.557 4.350 0.000 0.000 0.279 23 T C 1.358 176.052 174.700 -0.010 0.000 0.984 23 T CA -0.902 61.169 62.100 -0.049 0.000 0.988 23 T CB 0.724 69.593 68.868 0.001 0.000 1.040 23 T HN 0.268 nan 8.240 nan 0.000 0.528 24 I N 1.470 122.055 120.570 0.026 0.000 2.500 24 I HA -0.072 4.098 4.170 0.000 0.000 0.252 24 I C 2.823 178.991 176.117 0.086 0.000 1.142 24 I CA 1.713 63.048 61.300 0.059 0.000 1.451 24 I CB -1.389 36.645 38.000 0.058 0.000 1.093 24 I HN 0.994 nan 8.210 nan 0.000 0.430 25 T N -2.240 112.361 114.554 0.079 0.000 3.067 25 T HA 0.150 4.500 4.350 0.000 0.000 0.261 25 T C 1.615 176.400 174.700 0.140 0.000 1.110 25 T CA 0.947 63.104 62.100 0.095 0.000 1.113 25 T CB 0.211 69.125 68.868 0.076 0.000 0.917 25 T HN 0.450 nan 8.240 nan 0.000 0.499 26 G N 0.887 109.784 108.800 0.161 0.000 2.176 26 G HA2 -0.188 3.772 3.960 0.000 0.000 0.232 26 G HA3 -0.188 3.772 3.960 0.000 0.000 0.232 26 G C -0.157 174.917 174.900 0.291 0.000 0.986 26 G CA 0.033 45.309 45.100 0.293 0.000 0.643 26 G HN 0.587 nan 8.290 nan 0.000 0.522 27 D N -0.634 119.870 120.400 0.173 0.000 2.354 27 D HA 0.301 4.941 4.640 0.000 0.000 0.238 27 D C 1.591 177.970 176.300 0.132 0.000 1.250 27 D CA 1.033 55.125 54.000 0.153 0.000 0.911 27 D CB 0.715 41.577 40.800 0.102 0.000 1.163 27 D HN 0.688 nan 8.370 nan 0.000 0.456 28 c N 0.501 119.180 118.600 0.131 0.000 4.252 28 c HA -0.171 4.399 4.570 0.000 0.000 0.285 28 c C 1.957 176.135 174.090 0.147 0.000 1.466 28 c CA 0.215 56.617 56.329 0.121 0.000 1.946 28 c CB -2.675 39.889 42.510 0.091 0.000 1.366 28 c HN 0.720 nan 8.230 nan 0.000 0.783 29 N N 1.714 120.509 118.700 0.160 0.000 2.092 29 N HA -0.097 4.644 4.740 0.000 0.000 0.189 29 N C 0.513 176.121 175.510 0.162 0.000 1.040 29 N CA 1.272 54.397 53.050 0.125 0.000 0.845 29 N CB -0.160 38.242 38.487 -0.141 0.000 1.017 29 N HN 0.729 nan 8.380 nan 0.000 0.426 30 N N 1.313 120.155 118.700 0.238 0.000 2.411 30 N HA 0.060 4.800 4.740 0.000 0.000 0.259 30 N C 0.801 176.417 175.510 0.177 0.000 1.103 30 N CA 0.017 53.218 53.050 0.252 0.000 0.954 30 N CB 0.690 39.335 38.487 0.263 0.000 1.085 30 N HN 0.202 nan 8.380 nan 0.000 0.485 31 R N 2.799 123.393 120.500 0.156 0.000 2.073 31 R HA -0.035 4.305 4.340 0.000 0.000 0.229 31 R C 1.851 178.206 176.300 0.092 0.000 1.120 31 R CA 0.992 57.157 56.100 0.109 0.000 0.967 31 R CB 0.064 30.418 30.300 0.090 0.000 0.862 31 R HN 0.538 nan 8.270 nan 0.000 0.436 32 R N 0.180 120.736 120.500 0.093 0.000 2.092 32 R HA -0.008 4.333 4.340 0.000 0.000 0.231 32 R C 0.266 176.611 176.300 0.075 0.000 1.119 32 R CA 1.111 57.254 56.100 0.071 0.000 0.970 32 R CB 0.172 30.507 30.300 0.059 0.000 0.864 32 R HN -0.032 nan 8.270 nan 0.000 0.440 33 S N -0.340 115.417 115.700 0.094 0.000 2.652 33 S HA 0.327 4.797 4.470 0.000 0.000 0.252 33 S C -2.281 172.391 174.600 0.120 0.000 1.219 33 S CA -1.767 56.490 58.200 0.095 0.000 1.151 33 S CB 1.565 64.819 63.200 0.090 0.000 1.080 33 S HN -0.048 nan 8.310 nan 0.000 0.481 34 P HA -0.126 nan 4.420 nan 0.000 0.213 34 P C 1.472 178.858 177.300 0.144 0.000 1.176 34 P CA 1.883 65.057 63.100 0.124 0.000 0.919 34 P CB 0.120 31.877 31.700 0.095 0.000 0.791 35 A N -1.250 121.641 122.820 0.117 0.000 2.125 35 A HA -0.110 4.211 4.320 0.000 0.000 0.219 35 A C 0.979 178.641 177.584 0.129 0.000 1.156 35 A CA 0.472 52.578 52.037 0.114 0.000 0.671 35 A CB -1.525 17.524 19.000 0.082 0.000 0.794 35 A HN 0.119 nan 8.150 nan 0.000 0.459 36 L N 0.596 121.906 121.223 0.145 0.000 2.745 36 L HA 0.275 4.615 4.340 0.000 0.000 0.273 36 L C 1.447 178.417 176.870 0.167 0.000 1.156 36 L CA 1.492 56.419 54.840 0.145 0.000 0.982 36 L CB -0.735 41.426 42.059 0.171 0.000 1.295 36 L HN 0.668 nan 8.230 nan 0.000 0.483 37 G N 2.539 111.346 108.800 0.012 0.000 2.194 37 G HA2 -0.172 3.788 3.960 0.000 0.000 0.236 37 G HA3 -0.172 3.788 3.960 0.000 0.000 0.236 37 G C 0.512 175.358 174.900 -0.089 0.000 0.987 37 G CA 0.132 45.081 45.100 -0.251 0.000 0.635 37 G HN 1.060 nan 8.290 nan 0.000 0.520 38 A N 0.290 123.160 122.820 0.084 0.000 2.346 38 A HA 0.852 5.172 4.320 0.000 0.000 0.252 38 A C 1.021 178.638 177.584 0.054 0.000 1.089 38 A CA 1.055 53.160 52.037 0.113 0.000 0.797 38 A CB 0.387 19.457 19.000 0.116 0.000 1.047 38 A HN 2.076 nan 8.150 nan 0.000 0.494 39 A N 0.707 123.568 122.820 0.068 0.000 2.304 39 A HA 0.515 4.835 4.320 0.000 0.000 0.271 39 A C 0.709 178.311 177.584 0.031 0.000 1.091 39 A CA -0.065 52.002 52.037 0.050 0.000 0.812 39 A CB -0.159 18.883 19.000 0.069 0.000 1.056 39 A HN 1.183 nan 8.150 nan 0.000 0.489 40 N N -0.275 118.432 118.700 0.013 0.000 2.780 40 N HA -0.115 4.625 4.740 0.000 0.000 0.248 40 N C -0.650 174.853 175.510 -0.013 0.000 1.102 40 N CA 0.908 53.951 53.050 -0.011 0.000 0.697 40 N CB -0.614 37.866 38.487 -0.011 0.000 1.028 40 N HN 0.658 nan 8.380 nan 0.000 0.554 41 R N -0.123 120.374 120.500 -0.005 0.000 2.854 41 R HA 0.680 5.020 4.340 0.000 0.000 0.271 41 R C 0.122 176.421 176.300 -0.001 0.000 0.994 41 R CA -0.462 55.639 56.100 0.002 0.000 0.945 41 R CB 0.955 31.265 30.300 0.017 0.000 1.194 41 R HN 0.158 nan 8.270 nan 0.000 0.476 42 A N 1.834 124.659 122.820 0.008 0.000 2.520 42 A HA 0.155 4.475 4.320 0.000 0.000 0.235 42 A C 0.197 177.791 177.584 0.016 0.000 1.065 42 A CA -0.053 51.992 52.037 0.014 0.000 0.764 42 A CB -0.036 18.980 19.000 0.027 0.000 1.002 42 A HN 0.557 nan 8.150 nan 0.000 0.502 43 L N 1.663 122.897 121.223 0.018 0.000 2.367 43 L HA 0.368 4.708 4.340 0.000 0.000 0.275 43 L C 1.118 178.001 176.870 0.022 0.000 1.129 43 L CA -0.103 54.746 54.840 0.014 0.000 0.839 43 L CB 0.771 42.849 42.059 0.031 0.000 1.133 43 L HN 0.863 nan 8.230 nan 0.000 0.453 44 A N 5.420 128.249 122.820 0.016 0.000 2.507 44 A HA 0.271 4.591 4.320 0.000 0.000 0.235 44 A C 0.091 177.704 177.584 0.049 0.000 1.070 44 A CA 0.011 52.088 52.037 0.066 0.000 0.768 44 A CB 0.154 19.234 19.000 0.133 0.000 1.011 44 A HN 0.710 nan 8.150 nan 0.000 0.502 45 R N 1.392 121.978 120.500 0.143 0.000 2.388 45 R HA 0.147 4.487 4.340 0.000 0.000 0.314 45 R C -0.509 175.996 176.300 0.342 0.000 0.959 45 R CA -0.454 55.739 56.100 0.154 0.000 0.851 45 R CB 0.900 31.262 30.300 0.103 0.000 1.168 45 R HN 0.946 nan 8.270 nan 0.000 0.472 46 W N 2.292 123.636 121.300 0.073 0.000 2.584 46 W HA 0.132 4.792 4.660 0.000 0.000 0.264 46 W C 0.472 176.966 176.519 -0.041 0.000 1.264 46 W CA 0.280 57.647 57.345 0.036 0.000 1.306 46 W CB -0.070 29.345 29.460 -0.075 0.000 1.110 46 W HN 0.302 nan 8.180 nan 0.000 0.606 47 L N -0.707 120.605 121.223 0.149 0.000 2.415 47 L HA 0.367 4.707 4.340 0.000 0.000 0.256 47 L C -2.315 174.543 176.870 -0.019 0.000 1.010 47 L CA -2.160 52.649 54.840 -0.051 0.000 0.826 47 L CB 2.163 43.965 42.059 -0.429 0.000 1.405 47 L HN -0.526 nan 8.230 nan 0.000 0.410 48 P HA 0.154 nan 4.420 nan 0.000 0.271 48 P C -0.632 176.610 177.300 -0.096 0.000 1.220 48 P CA -0.210 62.859 63.100 -0.051 0.000 0.768 48 P CB 0.815 32.493 31.700 -0.036 0.000 0.848 49 A N 3.699 126.443 122.820 -0.126 0.000 2.555 49 A HA 0.025 4.345 4.320 0.000 0.000 0.233 49 A C 0.184 177.583 177.584 -0.309 0.000 1.060 49 A CA 0.331 52.211 52.037 -0.263 0.000 0.759 49 A CB -0.163 18.647 19.000 -0.316 0.000 0.995 49 A HN 0.568 nan 8.150 nan 0.000 0.506 50 E N 1.001 120.939 120.200 -0.436 0.000 2.235 50 E HA 0.443 4.793 4.350 0.000 0.000 0.252 50 E C -1.803 174.475 176.600 -0.537 0.000 0.886 50 E CA -0.119 56.112 56.400 -0.281 0.000 0.767 50 E CB 1.245 30.943 29.700 -0.004 0.000 1.205 50 E HN 0.599 nan 8.360 nan 0.000 0.421 51 Y N 0.464 120.556 120.300 -0.346 0.000 2.562 51 Y HA 0.127 4.677 4.550 0.001 0.000 0.343 51 Y C 1.586 176.985 175.900 -0.834 0.000 1.025 51 Y CA -1.055 56.681 58.100 -0.607 0.000 1.082 51 Y CB 1.410 39.631 38.460 -0.399 0.000 1.264 51 Y HN 0.487 nan 8.280 nan 0.000 0.478 52 E N 0.711 120.398 120.200 -0.856 0.000 2.070 52 E HA -0.249 4.102 4.350 0.000 0.000 0.197 52 E C 0.444 176.933 176.600 -0.186 0.000 1.004 52 E CA 2.049 58.114 56.400 -0.559 0.000 0.805 52 E CB 0.076 29.603 29.700 -0.288 0.000 0.744 52 E HN 0.792 nan 8.360 nan 0.000 0.451 53 D N -1.728 118.559 120.400 -0.188 0.000 2.427 53 D HA 0.106 4.746 4.640 0.000 0.000 0.224 53 D C 1.101 177.352 176.300 -0.081 0.000 1.157 53 D CA 0.530 54.458 54.000 -0.119 0.000 0.828 53 D CB 0.164 40.864 40.800 -0.167 0.000 0.974 53 D HN 0.339 nan 8.370 nan 0.000 0.498 54 G N 0.383 109.146 108.800 -0.061 0.000 2.205 54 G HA2 -0.364 3.596 3.960 0.000 0.000 0.269 54 G HA3 -0.364 3.596 3.960 0.000 0.000 0.269 54 G C 0.792 175.703 174.900 0.018 0.000 0.977 54 G CA 1.020 46.114 45.100 -0.010 0.000 0.652 54 G HN 0.478 nan 8.290 nan 0.000 0.539 55 L N -2.392 118.808 121.223 -0.038 0.000 2.588 55 L HA 0.607 4.947 4.340 0.000 0.000 0.194 55 L C 2.229 178.868 176.870 -0.385 0.000 1.070 55 L CA 1.210 55.978 54.840 -0.120 0.000 0.852 55 L CB 0.211 42.162 42.059 -0.179 0.000 1.199 55 L HN 0.536 nan 8.230 nan 0.000 0.486 56 A N -1.382 120.964 122.820 -0.790 0.000 2.654 56 A HA 0.242 4.562 4.320 0.000 0.000 0.203 56 A C -0.085 176.726 177.584 -1.288 0.000 1.306 56 A CA -0.154 50.970 52.037 -1.522 0.000 1.041 56 A CB 0.338 18.768 19.000 -0.950 0.000 1.217 56 A HN -0.054 nan 8.150 nan 0.000 0.510 57 V N 3.182 122.591 119.914 -0.842 0.000 2.508 57 V HA 0.269 4.389 4.120 0.000 0.000 0.281 57 V C -2.365 173.442 176.094 -0.479 0.000 1.041 57 V CA -1.280 60.563 62.300 -0.761 0.000 1.016 57 V CB 0.999 32.425 31.823 -0.662 0.000 0.984 57 V HN 0.239 nan 8.190 nan 0.000 0.478 58 P HA 0.100 nan 4.420 nan 0.000 0.269 58 P C -0.426 176.863 177.300 -0.017 0.000 1.209 58 P CA -0.103 62.928 63.100 -0.115 0.000 0.776 58 P CB 0.323 31.869 31.700 -0.258 0.000 0.876 59 F N 1.659 121.697 119.950 0.145 0.000 2.504 59 F HA 0.320 4.847 4.527 0.000 0.000 0.369 59 F C 1.796 177.717 175.800 0.201 0.000 1.082 59 F CA 1.458 59.546 58.000 0.146 0.000 1.216 59 F CB 0.310 39.390 39.000 0.134 0.000 1.108 59 F HN 0.624 nan 8.300 nan 0.000 0.554 60 G N 3.647 112.701 108.800 0.424 0.000 2.428 60 G HA2 -0.275 3.685 3.960 0.000 0.000 0.199 60 G HA3 -0.275 3.685 3.960 0.000 0.000 0.199 60 G C 1.003 176.094 174.900 0.318 0.000 1.005 60 G CA 0.043 45.357 45.100 0.356 0.000 0.671 60 G HN 0.708 nan 8.290 nan 0.000 0.485 61 W N 2.224 123.525 121.300 0.001 0.000 2.289 61 W HA 0.016 4.676 4.660 -0.001 0.000 0.328 61 W C 0.500 177.010 176.519 -0.014 0.000 1.241 61 W CA 2.266 59.537 57.345 -0.123 0.000 1.221 61 W CB -0.803 28.464 29.460 -0.321 0.000 1.175 61 W HN 0.198 nan 8.180 nan 0.000 0.457 62 T N 1.634 116.421 114.554 0.388 0.000 2.832 62 T HA 0.072 4.422 4.350 0.000 0.000 0.296 62 T C 0.877 175.668 174.700 0.150 0.000 0.968 62 T CA -0.204 62.041 62.100 0.241 0.000 1.107 62 T CB 1.304 70.325 68.868 0.254 0.000 0.916 62 T HN 0.233 nan 8.240 nan 0.000 0.517 63 Q N 2.393 122.245 119.800 0.086 0.000 2.320 63 Q HA 0.117 4.457 4.340 0.000 0.000 0.201 63 Q C 1.434 177.474 176.000 0.067 0.000 0.910 63 Q CA 0.111 55.958 55.803 0.073 0.000 0.946 63 Q CB 0.030 28.791 28.738 0.039 0.000 1.062 63 Q HN 0.591 nan 8.270 nan 0.000 0.503 64 R N 0.594 121.136 120.500 0.069 0.000 2.223 64 R HA 0.193 4.533 4.340 0.000 0.000 0.198 64 R C 0.252 176.591 176.300 0.065 0.000 0.984 64 R CA 0.008 56.141 56.100 0.055 0.000 1.018 64 R CB 0.094 30.421 30.300 0.046 0.000 0.945 64 R HN -0.026 nan 8.270 nan 0.000 0.479 65 K N 2.408 122.863 120.400 0.093 0.000 2.322 65 K HA 0.088 4.408 4.320 0.000 0.000 0.283 65 K C 0.236 176.909 176.600 0.122 0.000 1.042 65 K CA 0.152 56.508 56.287 0.114 0.000 0.958 65 K CB 1.423 34.017 32.500 0.156 0.000 0.984 65 K HN 0.170 nan 8.250 nan 0.000 0.473 66 T N -0.005 114.596 114.554 0.078 0.000 2.864 66 T HA 0.414 4.764 4.350 0.000 0.000 0.276 66 T C -0.157 174.497 174.700 -0.078 0.000 1.006 66 T CA -0.936 61.177 62.100 0.022 0.000 0.970 66 T CB 1.267 70.117 68.868 -0.030 0.000 1.420 66 T HN 0.590 nan 8.240 nan 0.000 0.601 67 R N 0.563 120.938 120.500 -0.208 0.000 2.467 67 R HA 0.329 4.669 4.340 0.000 0.000 0.299 67 R C -0.565 175.608 176.300 -0.212 0.000 1.120 67 R CA -0.390 55.426 56.100 -0.474 0.000 0.940 67 R CB -0.173 29.654 30.300 -0.789 0.000 1.161 67 R HN 0.813 nan 8.270 nan 0.000 0.506 68 N N 2.959 121.556 118.700 -0.172 0.000 2.776 68 N HA -0.191 4.549 4.740 0.000 0.000 0.250 68 N C 0.463 175.795 175.510 -0.296 0.000 1.112 68 N CA 1.559 54.526 53.050 -0.138 0.000 0.733 68 N CB -1.016 37.440 38.487 -0.052 0.000 1.097 68 N HN 1.065 nan 8.380 nan 0.000 0.558 69 G N -1.685 106.917 108.800 -0.331 0.000 2.176 69 G HA2 -0.273 3.687 3.960 0.000 0.000 0.232 69 G HA3 -0.273 3.687 3.960 0.000 0.000 0.232 69 G C -0.116 174.368 174.900 -0.693 0.000 0.986 69 G CA 0.269 45.034 45.100 -0.558 0.000 0.643 69 G HN 0.388 nan 8.290 nan 0.000 0.522 70 F N 0.575 120.509 119.950 -0.027 0.000 2.576 70 F HA 0.685 5.212 4.527 0.000 0.000 0.313 70 F C 0.819 176.603 175.800 -0.026 0.000 1.078 70 F CA -1.370 56.620 58.000 -0.017 0.000 0.921 70 F CB 1.358 40.354 39.000 -0.006 0.000 1.232 70 F HN -0.081 nan 8.300 nan 0.000 0.459 71 R N 1.161 121.775 120.500 0.191 0.000 2.543 71 R HA 0.437 4.777 4.340 0.000 0.000 0.277 71 R C -0.728 175.622 176.300 0.084 0.000 1.074 71 R CA -0.714 55.448 56.100 0.105 0.000 1.076 71 R CB 0.488 30.835 30.300 0.079 0.000 0.993 71 R HN 0.495 nan 8.270 nan 0.000 0.459 72 V N 0.387 120.342 119.914 0.069 0.000 2.649 72 V HA 0.360 4.480 4.120 0.000 0.000 0.292 72 V C -1.634 174.454 176.094 -0.011 0.000 1.055 72 V CA -1.989 60.344 62.300 0.056 0.000 1.023 72 V CB 0.543 32.435 31.823 0.116 0.000 0.992 72 V HN 0.714 nan 8.190 nan 0.000 0.480 73 P HA 0.329 nan 4.420 nan 0.000 0.274 73 P C -0.348 176.885 177.300 -0.112 0.000 1.231 73 P CA -0.600 62.388 63.100 -0.188 0.000 0.790 73 P CB 0.951 32.405 31.700 -0.409 0.000 0.951 74 L N 1.620 122.793 121.223 -0.083 0.000 2.499 74 L HA 0.012 4.352 4.340 0.000 0.000 0.273 74 L C 2.023 178.859 176.870 -0.055 0.000 1.195 74 L CA -0.183 54.620 54.840 -0.062 0.000 0.882 74 L CB 0.256 42.282 42.059 -0.054 0.000 1.133 74 L HN 0.505 nan 8.230 nan 0.000 0.483 75 A N 3.775 126.560 122.820 -0.059 0.000 1.903 75 A HA -0.268 4.052 4.320 0.000 0.000 0.219 75 A C 2.288 179.880 177.584 0.013 0.000 1.191 75 A CA 2.080 54.104 52.037 -0.022 0.000 0.638 75 A CB -0.407 18.542 19.000 -0.086 0.000 0.823 75 A HN 0.864 nan 8.150 nan 0.000 0.451 76 R N 0.193 120.694 120.500 0.001 0.000 2.096 76 R HA -0.109 4.231 4.340 0.000 0.000 0.235 76 R C 1.954 178.286 176.300 0.053 0.000 1.127 76 R CA 2.036 58.171 56.100 0.059 0.000 0.968 76 R CB -0.618 29.753 30.300 0.120 0.000 0.861 76 R HN 0.690 nan 8.270 nan 0.000 0.440 77 E N -0.602 119.610 120.200 0.019 0.000 2.347 77 E HA -0.072 4.278 4.350 0.000 0.000 0.196 77 E C 1.234 177.836 176.600 0.003 0.000 1.008 77 E CA 0.839 57.241 56.400 0.003 0.000 0.852 77 E CB 0.299 29.983 29.700 -0.028 0.000 0.783 77 E HN 0.238 nan 8.360 nan 0.000 0.505 78 V N -0.121 119.805 119.914 0.019 0.000 2.725 78 V HA -0.128 3.992 4.120 0.000 0.000 0.247 78 V C 2.280 178.441 176.094 0.112 0.000 1.058 78 V CA 1.399 63.733 62.300 0.056 0.000 1.080 78 V CB 0.137 32.020 31.823 0.100 0.000 0.713 78 V HN 0.214 nan 8.190 nan 0.000 0.465 79 S N 0.896 116.669 115.700 0.121 0.000 2.368 79 S HA -0.202 4.268 4.470 0.000 0.000 0.225 79 S C 1.917 176.581 174.600 0.106 0.000 1.030 79 S CA 1.867 60.154 58.200 0.144 0.000 0.999 79 S CB -0.355 62.923 63.200 0.131 0.000 0.844 79 S HN 0.621 nan 8.310 nan 0.000 0.459 80 N N 1.206 119.949 118.700 0.071 0.000 2.188 80 N HA 0.016 4.756 4.740 0.000 0.000 0.184 80 N C 1.688 177.226 175.510 0.048 0.000 1.018 80 N CA 1.081 54.159 53.050 0.047 0.000 0.858 80 N CB -0.182 38.320 38.487 0.024 0.000 0.989 80 N HN 0.559 nan 8.380 nan 0.000 0.426 81 K N -0.384 120.044 120.400 0.047 0.000 2.202 81 K HA 0.163 4.483 4.320 0.000 0.000 0.201 81 K C 1.349 177.984 176.600 0.058 0.000 1.051 81 K CA 0.635 56.947 56.287 0.041 0.000 0.977 81 K CB 0.404 32.916 32.500 0.020 0.000 0.792 81 K HN 0.072 nan 8.250 nan 0.000 0.469 82 I N -0.024 120.592 120.570 0.076 0.000 3.172 82 I HA -0.085 4.086 4.170 0.000 0.000 0.278 82 I C 1.932 178.111 176.117 0.104 0.000 1.174 82 I CA 0.469 61.817 61.300 0.080 0.000 1.445 82 I CB 0.118 38.166 38.000 0.080 0.000 1.175 82 I HN -0.226 nan 8.210 nan 0.000 0.447 83 V N 0.735 120.733 119.914 0.139 0.000 2.649 83 V HA 0.169 4.289 4.120 0.000 0.000 0.248 83 V C 1.491 177.722 176.094 0.229 0.000 1.054 83 V CA 1.008 63.418 62.300 0.183 0.000 1.073 83 V CB -1.173 30.798 31.823 0.248 0.000 0.699 83 V HN 0.405 nan 8.190 nan 0.000 0.463 84 G N -0.701 108.211 108.800 0.186 0.000 2.562 84 G HA2 0.503 4.463 3.960 0.000 0.000 0.275 84 G HA3 0.503 4.463 3.960 0.000 0.000 0.275 84 G C -0.912 174.148 174.900 0.266 0.000 1.196 84 G CA 0.055 45.260 45.100 0.175 0.000 0.908 84 G HN 0.511 nan 8.290 nan 0.000 0.524 85 Y N -2.487 117.849 120.300 0.060 0.000 2.741 85 Y HA 0.564 5.115 4.550 0.000 0.000 0.339 85 Y C -0.586 175.343 175.900 0.048 0.000 1.226 85 Y CA -1.141 56.989 58.100 0.050 0.000 1.072 85 Y CB 0.845 39.337 38.460 0.053 0.000 1.331 85 Y HN 0.327 nan 8.280 nan 0.000 0.453 86 L N 0.692 121.989 121.223 0.124 0.000 2.467 86 L HA 0.294 4.634 4.340 0.000 0.000 0.213 86 L C -0.011 176.919 176.870 0.100 0.000 1.053 86 L CA 0.814 55.669 54.840 0.024 0.000 0.847 86 L CB 0.087 42.175 42.059 0.047 0.000 1.075 86 L HN 0.760 nan 8.230 nan 0.000 0.479 87 D N 0.327 120.889 120.400 0.269 0.000 2.380 87 D HA 0.066 4.706 4.640 0.000 0.000 0.230 87 D C 0.626 177.135 176.300 0.348 0.000 1.154 87 D CA 0.122 54.266 54.000 0.240 0.000 0.859 87 D CB 0.885 41.785 40.800 0.166 0.000 1.045 87 D HN 0.079 nan 8.370 nan 0.000 0.495 88 E N 2.119 122.482 120.200 0.273 0.000 2.512 88 E HA -0.031 4.319 4.350 0.000 0.000 0.195 88 E C -0.054 176.648 176.600 0.170 0.000 1.083 88 E CA 0.232 56.806 56.400 0.290 0.000 0.873 88 E CB 0.315 30.135 29.700 0.200 0.000 0.897 88 E HN 0.505 nan 8.360 nan 0.000 0.514 89 E N 0.340 120.616 120.200 0.128 0.000 2.290 89 E HA 0.212 4.562 4.350 0.000 0.000 0.277 89 E C 1.004 177.640 176.600 0.060 0.000 1.035 89 E CA 0.102 56.552 56.400 0.083 0.000 0.873 89 E CB 1.089 30.830 29.700 0.067 0.000 1.029 89 E HN 0.299 nan 8.360 nan 0.000 0.419 90 G N 2.185 111.017 108.800 0.053 0.000 2.176 90 G HA2 -0.362 3.598 3.960 0.000 0.000 0.253 90 G HA3 -0.362 3.598 3.960 0.000 0.000 0.253 90 G C 0.999 175.915 174.900 0.027 0.000 0.979 90 G CA 0.533 45.654 45.100 0.035 0.000 0.641 90 G HN 0.514 nan 8.290 nan 0.000 0.530 91 V N -0.785 119.151 119.914 0.036 0.000 2.548 91 V HA 0.338 4.459 4.120 0.000 0.000 0.249 91 V C 1.768 177.897 176.094 0.058 0.000 1.055 91 V CA 1.091 63.404 62.300 0.022 0.000 1.065 91 V CB -0.557 31.287 31.823 0.035 0.000 0.681 91 V HN 0.476 nan 8.190 nan 0.000 0.462 92 L N 2.219 123.489 121.223 0.078 0.000 2.525 92 L HA 0.137 4.477 4.340 0.000 0.000 0.278 92 L C 0.440 177.359 176.870 0.082 0.000 1.218 92 L CA 0.332 55.227 54.840 0.092 0.000 0.878 92 L CB -0.252 41.862 42.059 0.092 0.000 1.127 92 L HN 0.279 nan 8.230 nan 0.000 0.492 93 D N 2.658 123.119 120.400 0.101 0.000 2.371 93 D HA -0.035 4.605 4.640 0.000 0.000 0.256 93 D C 0.872 177.212 176.300 0.066 0.000 1.193 93 D CA -0.114 53.938 54.000 0.088 0.000 0.881 93 D CB 1.299 42.175 40.800 0.126 0.000 1.143 93 D HN 0.435 nan 8.370 nan 0.000 0.473 94 Q N 2.487 122.313 119.800 0.043 0.000 2.226 94 Q HA -0.132 4.208 4.340 0.000 0.000 0.204 94 Q C 0.641 176.655 176.000 0.023 0.000 0.975 94 Q CA 1.005 56.828 55.803 0.033 0.000 0.866 94 Q CB -0.023 28.728 28.738 0.021 0.000 0.915 94 Q HN 0.444 nan 8.270 nan 0.000 0.440 95 N N 0.297 118.998 118.700 0.003 0.000 2.610 95 N HA 0.083 4.823 4.740 0.000 0.000 0.307 95 N C -1.390 174.084 175.510 -0.060 0.000 1.813 95 N CA -0.103 52.934 53.050 -0.022 0.000 0.901 95 N CB 0.443 38.904 38.487 -0.043 0.000 1.354 95 N HN -0.182 nan 8.380 nan 0.000 0.491 96 R N 0.362 120.854 120.500 -0.014 0.000 2.518 96 R HA 0.256 4.596 4.340 0.000 0.000 0.287 96 R C -0.584 175.790 176.300 0.124 0.000 1.135 96 R CA -0.474 55.612 56.100 -0.024 0.000 0.967 96 R CB 1.040 31.285 30.300 -0.093 0.000 1.212 96 R HN 0.397 nan 8.270 nan 0.000 0.422 97 S N 2.119 117.912 115.700 0.155 0.000 2.600 97 S HA 0.198 4.668 4.470 0.000 0.000 0.265 97 S C 1.456 176.205 174.600 0.248 0.000 1.325 97 S CA -0.732 57.575 58.200 0.178 0.000 1.002 97 S CB 0.825 64.102 63.200 0.128 0.000 0.921 97 S HN 0.638 nan 8.310 nan 0.000 0.554 98 L N 0.436 121.774 121.223 0.193 0.000 2.131 98 L HA -0.062 4.278 4.340 0.000 0.000 0.210 98 L C 2.289 179.271 176.870 0.188 0.000 1.092 98 L CA 1.265 56.214 54.840 0.182 0.000 0.759 98 L CB -0.692 41.445 42.059 0.130 0.000 0.903 98 L HN 0.835 nan 8.230 nan 0.000 0.435 99 L N -0.663 120.646 121.223 0.144 0.000 2.349 99 L HA -0.256 4.084 4.340 0.000 0.000 0.220 99 L C 2.050 179.111 176.870 0.319 0.000 1.130 99 L CA 1.537 56.416 54.840 0.064 0.000 0.791 99 L CB -0.693 41.242 42.059 -0.207 0.000 0.918 99 L HN 0.193 nan 8.230 nan 0.000 0.444 100 F N -0.661 119.470 119.950 0.302 0.000 2.098 100 F HA -0.159 4.369 4.527 0.000 0.000 0.294 100 F C 2.370 178.388 175.800 0.364 0.000 1.107 100 F CA 1.895 60.172 58.000 0.463 0.000 1.234 100 F CB -0.448 38.766 39.000 0.357 0.000 1.002 100 F HN 0.174 nan 8.300 nan 0.000 0.472 101 M N 0.472 120.181 119.600 0.183 0.000 2.086 101 M HA -0.233 4.247 4.480 0.000 0.000 0.261 101 M C 2.160 178.430 176.300 -0.051 0.000 1.067 101 M CA 1.937 57.226 55.300 -0.018 0.000 1.116 101 M CB -1.009 31.644 32.600 0.088 0.000 1.348 101 M HN 0.346 nan 8.290 nan 0.000 0.407 102 Q N -0.056 119.765 119.800 0.035 0.000 2.061 102 Q HA -0.222 4.118 4.340 0.000 0.000 0.204 102 Q C 1.914 177.871 176.000 -0.071 0.000 0.984 102 Q CA 2.418 58.209 55.803 -0.020 0.000 0.846 102 Q CB -0.942 27.813 28.738 0.028 0.000 0.902 102 Q HN 0.723 nan 8.270 nan 0.000 0.421 103 W N 0.148 121.336 121.300 -0.187 0.000 2.374 103 W HA -0.115 4.545 4.660 0.001 0.000 0.288 103 W C 1.604 177.816 176.519 -0.512 0.000 1.218 103 W CA 1.304 58.478 57.345 -0.285 0.000 1.245 103 W CB -0.343 29.037 29.460 -0.134 0.000 1.126 103 W HN 0.344 nan 8.180 nan 0.000 0.545 104 G N 0.410 108.909 108.800 -0.502 0.000 2.446 104 G HA2 -0.395 3.565 3.960 0.000 0.000 0.217 104 G HA3 -0.395 3.565 3.960 0.000 0.000 0.217 104 G C 1.359 175.811 174.900 -0.747 0.000 1.168 104 G CA 1.271 46.007 45.100 -0.607 0.000 0.771 104 G HN 0.438 nan 8.290 nan 0.000 0.551 105 Q N -0.489 118.937 119.800 -0.622 0.000 2.297 105 Q HA 0.000 4.340 4.340 0.000 0.000 0.204 105 Q C 2.346 177.889 176.000 -0.762 0.000 0.962 105 Q CA 0.520 55.906 55.803 -0.696 0.000 0.879 105 Q CB -0.073 28.321 28.738 -0.574 0.000 0.947 105 Q HN 0.402 nan 8.270 nan 0.000 0.462 106 I N -0.175 119.974 120.570 -0.700 0.000 2.193 106 I HA -0.191 3.979 4.170 0.000 0.000 0.240 106 I C 2.254 178.009 176.117 -0.604 0.000 1.084 106 I CA 0.749 61.623 61.300 -0.710 0.000 1.365 106 I CB -1.034 36.408 38.000 -0.929 0.000 1.064 106 I HN 0.126 nan 8.210 nan 0.000 0.410 107 V N 1.177 120.670 119.914 -0.702 0.000 2.287 107 V HA -0.328 3.793 4.120 0.000 0.000 0.248 107 V C 2.444 178.534 176.094 -0.007 0.000 1.053 107 V CA 2.198 64.337 62.300 -0.268 0.000 1.027 107 V CB -0.700 31.094 31.823 -0.049 0.000 0.646 107 V HN 0.470 nan 8.190 nan 0.000 0.447 108 D N -0.550 119.720 120.400 -0.216 0.000 2.103 108 D HA -0.261 4.380 4.640 0.000 0.000 0.190 108 D C 1.952 178.279 176.300 0.046 0.000 0.997 108 D CA 2.060 55.946 54.000 -0.190 0.000 0.833 108 D CB -0.240 40.130 40.800 -0.716 0.000 0.961 108 D HN 0.662 nan 8.370 nan 0.000 0.447 109 H N -0.370 118.581 119.070 -0.198 0.000 2.518 109 H HA -0.101 4.455 4.556 0.000 0.000 0.292 109 H C 1.617 176.908 175.328 -0.061 0.000 1.068 109 H CA 0.575 56.541 56.048 -0.136 0.000 1.275 109 H CB 0.306 29.966 29.762 -0.170 0.000 1.375 109 H HN 0.248 nan 8.280 nan 0.000 0.563 110 D N 0.539 120.990 120.400 0.085 0.000 2.249 110 D HA -0.057 4.583 4.640 0.000 0.000 0.205 110 D C 1.908 178.299 176.300 0.152 0.000 0.962 110 D CA 0.455 54.515 54.000 0.101 0.000 0.860 110 D CB 0.416 41.269 40.800 0.089 0.000 0.955 110 D HN 0.377 nan 8.370 nan 0.000 0.505 111 L N 0.075 121.409 121.223 0.186 0.000 2.316 111 L HA 0.160 4.500 4.340 0.000 0.000 0.207 111 L C 0.404 177.365 176.870 0.151 0.000 1.070 111 L CA 0.312 55.264 54.840 0.187 0.000 0.820 111 L CB 0.172 42.395 42.059 0.272 0.000 0.992 111 L HN -0.049 nan 8.230 nan 0.000 0.466 112 D N -1.279 119.217 120.400 0.160 0.000 2.753 112 D HA 0.345 4.985 4.640 0.000 0.000 0.224 112 D C -1.425 174.974 176.300 0.166 0.000 1.213 112 D CA -0.373 53.707 54.000 0.133 0.000 0.833 112 D CB 3.063 43.934 40.800 0.118 0.000 1.607 112 D HN -0.184 nan 8.370 nan 0.000 0.463 113 F N 1.018 120.938 119.950 -0.051 0.000 3.395 113 F HA 0.511 5.038 4.527 0.000 0.000 0.382 113 F C -1.774 173.999 175.800 -0.045 0.000 1.264 113 F CA -0.859 57.091 58.000 -0.083 0.000 1.277 113 F CB 1.179 40.116 39.000 -0.104 0.000 1.780 113 F HN 0.617 nan 8.300 nan 0.000 0.691 114 A N 7.201 129.880 122.820 -0.234 0.000 2.260 114 A HA 0.771 5.091 4.320 0.000 0.000 0.312 114 A C -2.658 174.596 177.584 -0.550 0.000 1.321 114 A CA -1.376 50.496 52.037 -0.275 0.000 0.928 114 A CB -0.173 18.844 19.000 0.029 0.000 1.158 114 A HN 0.422 nan 8.150 nan 0.000 0.542 115 P HA 0.332 nan 4.420 nan 0.000 0.276 115 P C -0.073 177.042 177.300 -0.308 0.000 1.252 115 P CA -0.433 62.214 63.100 -0.755 0.000 0.802 115 P CB 0.727 31.996 31.700 -0.718 0.000 1.035 116 E N -0.752 119.325 120.200 -0.204 0.000 2.322 116 E HA 0.321 4.671 4.350 0.000 0.000 0.257 116 E C -0.085 176.455 176.600 -0.100 0.000 1.155 116 E CA -0.551 55.788 56.400 -0.103 0.000 0.936 116 E CB 0.430 30.082 29.700 -0.081 0.000 1.130 116 E HN 0.478 nan 8.360 nan 0.000 0.465 117 T N -1.542 112.990 114.554 -0.036 0.000 2.922 117 T HA 0.246 4.596 4.350 0.000 0.000 0.285 117 T C 0.418 175.037 174.700 -0.134 0.000 1.005 117 T CA -0.590 61.476 62.100 -0.056 0.000 1.061 117 T CB 1.446 70.344 68.868 0.050 0.000 1.007 117 T HN 0.705 nan 8.240 nan 0.000 0.502 118 E N 0.724 120.838 120.200 -0.143 0.000 3.968 118 E HA 0.167 4.517 4.350 0.000 0.000 0.219 118 E C 0.252 176.780 176.600 -0.120 0.000 1.310 118 E CA -0.612 55.681 56.400 -0.178 0.000 1.622 118 E CB -0.250 29.346 29.700 -0.173 0.000 1.730 118 E HN 0.359 nan 8.360 nan 0.000 0.629 119 L N 1.821 122.979 121.223 -0.108 0.000 3.941 119 L HA -0.148 4.192 4.340 0.000 0.000 0.455 119 L C -0.318 176.512 176.870 -0.067 0.000 1.179 119 L CA 1.496 56.285 54.840 -0.085 0.000 0.782 119 L CB -1.139 40.874 42.059 -0.076 0.000 1.679 119 L HN 0.589 nan 8.230 nan 0.000 0.871 120 G N -1.394 107.356 108.800 -0.082 0.000 2.919 120 G HA2 0.359 4.319 3.960 0.000 0.000 0.303 120 G HA3 0.359 4.319 3.960 0.000 0.000 0.303 120 G C 0.456 175.311 174.900 -0.074 0.000 1.611 120 G CA 0.244 45.301 45.100 -0.071 0.000 0.876 120 G HN 0.105 nan 8.290 nan 0.000 0.481 121 S N 0.630 116.295 115.700 -0.058 0.000 2.383 121 S HA 0.032 4.502 4.470 0.000 0.000 0.227 121 S C 1.668 176.240 174.600 -0.046 0.000 1.026 121 S CA 1.489 59.657 58.200 -0.054 0.000 0.981 121 S CB 0.114 63.287 63.200 -0.045 0.000 0.818 121 S HN 0.640 nan 8.310 nan 0.000 0.472 122 S N 1.143 116.821 115.700 -0.036 0.000 2.300 122 S HA 0.361 4.831 4.470 0.000 0.000 0.172 122 S C -1.039 173.557 174.600 -0.007 0.000 1.484 122 S CA -0.572 57.612 58.200 -0.026 0.000 1.265 122 S CB 0.256 63.437 63.200 -0.033 0.000 1.313 122 S HN 0.257 nan 8.310 nan 0.000 0.387 123 E N 1.232 121.431 120.200 -0.000 0.000 2.373 123 E HA 0.205 4.555 4.350 0.000 0.000 0.267 123 E C 0.297 176.981 176.600 0.140 0.000 1.032 123 E CA 0.377 56.798 56.400 0.034 0.000 0.889 123 E CB 0.389 30.072 29.700 -0.029 0.000 0.984 123 E HN 0.645 nan 8.360 nan 0.000 0.425 124 H N 1.956 121.033 119.070 0.010 0.000 2.916 124 H HA 0.200 4.756 4.556 -0.000 0.000 0.262 124 H C 0.610 175.973 175.328 0.059 0.000 1.178 124 H CA 0.051 56.119 56.048 0.033 0.000 1.090 124 H CB 0.935 30.710 29.762 0.022 0.000 1.657 124 H HN 0.411 nan 8.280 nan 0.000 0.601 125 S N -0.357 115.417 115.700 0.125 0.000 2.506 125 S HA 0.030 4.501 4.470 0.000 0.000 0.219 125 S C 1.893 176.601 174.600 0.180 0.000 1.031 125 S CA 0.042 58.320 58.200 0.130 0.000 0.911 125 S CB 0.446 63.722 63.200 0.127 0.000 0.812 125 S HN 0.323 nan 8.310 nan 0.000 0.497 126 K N 0.865 121.332 120.400 0.110 0.000 2.026 126 K HA -0.013 4.307 4.320 0.000 0.000 0.208 126 K C 1.764 178.494 176.600 0.217 0.000 1.048 126 K CA 1.580 57.926 56.287 0.099 0.000 0.929 126 K CB -0.254 32.230 32.500 -0.026 0.000 0.713 126 K HN 0.174 nan 8.250 nan 0.000 0.439 127 V N 0.840 120.826 119.914 0.119 0.000 2.453 127 V HA -0.198 3.922 4.120 0.000 0.000 0.247 127 V C 2.302 178.491 176.094 0.159 0.000 1.048 127 V CA 1.732 64.090 62.300 0.097 0.000 1.049 127 V CB -0.282 31.524 31.823 -0.028 0.000 0.672 127 V HN 0.453 nan 8.190 nan 0.000 0.457 128 Q N -1.621 118.272 119.800 0.155 0.000 2.364 128 Q HA -0.221 4.119 4.340 0.000 0.000 0.207 128 Q C 2.203 178.335 176.000 0.220 0.000 0.970 128 Q CA 1.794 57.732 55.803 0.224 0.000 0.888 128 Q CB -0.178 28.612 28.738 0.086 0.000 0.951 128 Q HN 0.719 nan 8.270 nan 0.000 0.469 129 c N -0.393 118.330 118.600 0.205 0.000 2.541 129 c HA 0.056 4.626 4.570 0.000 0.000 0.284 129 c C 2.398 176.517 174.090 0.049 0.000 1.341 129 c CA 0.131 56.529 56.329 0.114 0.000 1.732 129 c CB -0.350 42.244 42.510 0.140 0.000 2.126 129 c HN 0.524 nan 8.230 nan 0.000 0.505 130 E N 1.011 121.287 120.200 0.126 0.000 2.023 130 E HA -0.160 4.190 4.350 0.000 0.000 0.196 130 E C 2.138 178.693 176.600 -0.076 0.000 1.003 130 E CA 1.645 58.069 56.400 0.039 0.000 0.809 130 E CB -0.316 29.461 29.700 0.129 0.000 0.755 130 E HN 0.725 nan 8.360 nan 0.000 0.449 131 E N -0.860 119.280 120.200 -0.100 0.000 2.140 131 E HA -0.092 4.258 4.350 0.000 0.000 0.191 131 E C 1.926 178.158 176.600 -0.613 0.000 0.973 131 E CA 0.675 56.841 56.400 -0.390 0.000 0.829 131 E CB -0.240 29.098 29.700 -0.603 0.000 0.781 131 E HN 0.397 nan 8.360 nan 0.000 0.466 132 Y N -0.037 120.235 120.300 -0.046 0.000 2.481 132 Y HA 0.193 4.743 4.550 0.002 0.000 0.258 132 Y C 0.780 176.637 175.900 -0.072 0.000 1.103 132 Y CA -0.538 57.531 58.100 -0.052 0.000 1.287 132 Y CB -0.040 38.396 38.460 -0.041 0.000 1.108 132 Y HN -0.035 nan 8.280 nan 0.000 0.529 133 c N 1.165 119.773 118.600 0.012 0.000 4.067 133 c HA -0.128 4.442 4.570 0.000 0.000 0.305 133 c C 0.172 174.242 174.090 -0.032 0.000 1.305 133 c CA -1.031 55.260 56.329 -0.063 0.000 2.111 133 c CB -3.162 39.269 42.510 -0.131 0.000 1.339 133 c HN 0.127 nan 8.230 nan 0.000 0.668 134 V N 2.024 121.948 119.914 0.016 0.000 2.304 134 V HA 0.212 4.332 4.120 0.000 0.000 0.269 134 V C 0.669 176.739 176.094 -0.041 0.000 1.036 134 V CA 0.391 62.689 62.300 -0.003 0.000 0.840 134 V CB 1.410 33.253 31.823 0.032 0.000 1.036 134 V HN 0.698 nan 8.190 nan 0.000 0.466 135 Q N 3.371 123.089 119.800 -0.137 0.000 2.239 135 Q HA 0.239 4.579 4.340 0.000 0.000 0.286 135 Q C 0.868 176.776 176.000 -0.153 0.000 1.102 135 Q CA 1.033 56.675 55.803 -0.270 0.000 0.936 135 Q CB 0.604 29.004 28.738 -0.563 0.000 1.127 135 Q HN 0.869 nan 8.270 nan 0.000 0.380 136 G N 3.318 112.150 108.800 0.052 0.000 2.465 136 G HA2 0.037 3.997 3.960 0.000 0.000 0.178 136 G HA3 0.037 3.997 3.960 0.000 0.000 0.178 136 G C -0.048 175.105 174.900 0.422 0.000 1.591 136 G CA 0.552 45.778 45.100 0.209 0.000 0.689 136 G HN 0.618 nan 8.290 nan 0.000 0.708 137 D N -1.189 119.425 120.400 0.358 0.000 3.163 137 D HA 0.195 4.835 4.640 0.000 0.000 0.228 137 D C 1.751 178.241 176.300 0.316 0.000 1.521 137 D CA -0.015 54.163 54.000 0.296 0.000 1.334 137 D CB 0.735 41.644 40.800 0.182 0.000 1.126 137 D HN 0.040 nan 8.370 nan 0.000 0.304 138 E N -0.155 120.234 120.200 0.316 0.000 2.478 138 E HA 0.104 4.454 4.350 0.000 0.000 0.194 138 E C -0.058 176.838 176.600 0.493 0.000 1.045 138 E CA 0.027 56.648 56.400 0.369 0.000 0.868 138 E CB 0.150 30.039 29.700 0.315 0.000 0.885 138 E HN 0.121 nan 8.360 nan 0.000 0.505 139 c N 1.794 120.656 118.600 0.437 0.000 2.239 139 c HA 0.466 5.036 4.570 0.000 0.000 0.325 139 c C -0.646 173.618 174.090 0.290 0.000 1.231 139 c CA -0.832 55.652 56.329 0.258 0.000 1.652 139 c CB -1.360 41.252 42.510 0.171 0.000 2.284 139 c HN 0.132 nan 8.230 nan 0.000 0.499 140 F N 10.013 130.039 119.950 0.127 0.000 2.443 140 F HA 0.575 5.102 4.527 0.000 0.000 0.369 140 F C -2.539 173.211 175.800 -0.083 0.000 1.090 140 F CA -3.428 54.601 58.000 0.049 0.000 1.129 140 F CB 0.893 40.057 39.000 0.273 0.000 1.367 140 F HN 0.449 nan 8.300 nan 0.000 0.465 141 P HA 0.285 nan 4.420 nan 0.000 0.274 141 P C -0.335 176.690 177.300 -0.458 0.000 1.231 141 P CA -0.090 62.833 63.100 -0.295 0.000 0.790 141 P CB 1.289 32.847 31.700 -0.236 0.000 0.951 142 I N 2.984 123.292 120.570 -0.436 0.000 2.287 142 I HA 0.183 4.353 4.170 0.000 0.000 0.290 142 I C 0.639 176.431 176.117 -0.542 0.000 1.069 142 I CA -0.420 60.607 61.300 -0.455 0.000 1.237 142 I CB 0.196 37.990 38.000 -0.343 0.000 1.418 142 I HN 0.116 nan 8.210 nan 0.000 0.481 143 M N 5.696 125.041 119.600 -0.425 0.000 2.241 143 M HA 0.341 4.821 4.480 0.000 0.000 0.335 143 M C -0.311 175.787 176.300 -0.336 0.000 1.122 143 M CA 0.049 55.105 55.300 -0.407 0.000 1.164 143 M CB 0.297 32.765 32.600 -0.219 0.000 1.459 143 M HN 0.253 nan 8.290 nan 0.000 0.461 144 F N 3.419 123.309 119.950 -0.099 0.000 2.408 144 F HA 0.355 4.883 4.527 0.000 0.000 0.344 144 F C -1.342 174.416 175.800 -0.069 0.000 1.112 144 F CA -1.702 56.246 58.000 -0.086 0.000 1.096 144 F CB 1.009 39.957 39.000 -0.088 0.000 1.129 144 F HN 0.382 nan 8.300 nan 0.000 0.486 145 P HA 0.048 nan 4.420 nan 0.000 0.275 145 P C -1.135 176.189 177.300 0.041 0.000 1.266 145 P CA -0.728 62.407 63.100 0.059 0.000 0.793 145 P CB 0.902 32.623 31.700 0.034 0.000 1.074 146 K N 1.144 121.552 120.400 0.014 0.000 2.451 146 K HA -0.039 4.281 4.320 0.000 0.000 0.280 146 K C 0.023 176.617 176.600 -0.010 0.000 1.020 146 K CA 0.324 56.612 56.287 0.002 0.000 1.008 146 K CB -0.851 31.646 32.500 -0.004 0.000 0.917 146 K HN 0.469 nan 8.250 nan 0.000 0.478 147 N N 1.803 120.491 118.700 -0.021 0.000 2.815 147 N HA -0.192 4.548 4.740 0.000 0.000 0.249 147 N C -1.427 174.050 175.510 -0.055 0.000 1.114 147 N CA 0.796 53.825 53.050 -0.035 0.000 0.717 147 N CB -0.697 37.775 38.487 -0.026 0.000 1.074 147 N HN 0.664 nan 8.380 nan 0.000 0.555 148 D N 0.021 120.374 120.400 -0.078 0.000 2.317 148 D HA 0.167 4.807 4.640 0.000 0.000 0.234 148 D C -1.543 174.632 176.300 -0.208 0.000 1.112 148 D CA -2.131 51.783 54.000 -0.142 0.000 0.840 148 D CB 1.308 42.008 40.800 -0.167 0.000 1.078 148 D HN -0.056 nan 8.370 nan 0.000 0.486 149 P HA -0.146 nan 4.420 nan 0.000 0.217 149 P C 0.920 178.060 177.300 -0.266 0.000 1.148 149 P CA 1.211 64.202 63.100 -0.182 0.000 0.828 149 P CB 0.294 31.911 31.700 -0.139 0.000 0.783 150 K N -1.043 119.095 120.400 -0.437 0.000 2.442 150 K HA -0.083 4.237 4.320 0.000 0.000 0.198 150 K C 1.880 178.131 176.600 -0.582 0.000 1.044 150 K CA 0.704 56.626 56.287 -0.607 0.000 0.948 150 K CB -0.496 31.402 32.500 -1.004 0.000 0.762 150 K HN 0.242 nan 8.250 nan 0.000 0.472 151 L N 1.019 121.971 121.223 -0.452 0.000 1.973 151 L HA -0.200 4.140 4.340 0.000 0.000 0.208 151 L C 2.213 179.014 176.870 -0.115 0.000 1.073 151 L CA 1.461 56.189 54.840 -0.187 0.000 0.746 151 L CB -0.315 41.684 42.059 -0.100 0.000 0.891 151 L HN 0.090 nan 8.230 nan 0.000 0.433 152 K N -1.042 119.288 120.400 -0.116 0.000 2.173 152 K HA -0.184 4.136 4.320 0.000 0.000 0.207 152 K C 1.824 178.376 176.600 -0.080 0.000 1.046 152 K CA 1.865 58.103 56.287 -0.082 0.000 0.929 152 K CB -0.165 32.289 32.500 -0.078 0.000 0.720 152 K HN 0.334 nan 8.250 nan 0.000 0.453 153 T N -0.481 114.007 114.554 -0.109 0.000 3.018 153 T HA 0.054 4.404 4.350 0.000 0.000 0.246 153 T C 1.489 176.141 174.700 -0.079 0.000 1.026 153 T CA 0.386 62.432 62.100 -0.090 0.000 1.081 153 T CB 0.430 69.241 68.868 -0.096 0.000 0.970 153 T HN 0.158 nan 8.240 nan 0.000 0.475 154 Q N -0.545 119.197 119.800 -0.097 0.000 2.471 154 Q HA 0.463 4.803 4.340 0.000 0.000 0.241 154 Q C 0.994 176.998 176.000 0.006 0.000 0.886 154 Q CA 0.296 56.067 55.803 -0.053 0.000 0.953 154 Q CB 1.364 30.059 28.738 -0.071 0.000 1.108 154 Q HN 0.473 nan 8.270 nan 0.000 0.575 155 G N -0.272 108.575 108.800 0.079 0.000 2.404 155 G HA2 0.015 3.975 3.960 0.000 0.000 0.253 155 G HA3 0.015 3.975 3.960 0.000 0.000 0.253 155 G C -0.883 174.151 174.900 0.223 0.000 1.253 155 G CA -0.523 44.632 45.100 0.090 0.000 0.917 155 G HN -0.089 nan 8.290 nan 0.000 0.480 156 K N -0.976 119.474 120.400 0.083 0.000 2.335 156 K HA 0.330 4.650 4.320 0.000 0.000 0.195 156 K C 0.759 177.189 176.600 -0.283 0.000 1.058 156 K CA 1.097 57.414 56.287 0.049 0.000 0.988 156 K CB 0.546 33.014 32.500 -0.053 0.000 0.880 156 K HN 0.800 nan 8.250 nan 0.000 0.513 157 c N -1.710 116.583 118.600 -0.512 0.000 3.340 157 c HA 0.648 5.218 4.570 0.000 0.000 0.333 157 c C -1.270 172.335 174.090 -0.808 0.000 1.464 157 c CA -1.312 54.438 56.329 -0.965 0.000 1.337 157 c CB 1.027 43.222 42.510 -0.524 0.000 1.740 157 c HN 0.012 nan 8.230 nan 0.000 0.450 158 M N 2.965 122.145 119.600 -0.699 0.000 2.243 158 M HA 0.454 4.934 4.480 0.000 0.000 0.324 158 M C -2.544 173.615 176.300 -0.236 0.000 1.031 158 M CA -1.456 53.590 55.300 -0.425 0.000 0.949 158 M CB 2.225 34.657 32.600 -0.281 0.000 1.615 158 M HN 0.596 nan 8.290 nan 0.000 0.430 159 P HA 0.162 nan 4.420 nan 0.000 0.269 159 P C -1.313 175.953 177.300 -0.057 0.000 1.209 159 P CA 0.132 63.127 63.100 -0.175 0.000 0.776 159 P CB 0.652 32.249 31.700 -0.171 0.000 0.876 160 F N 3.333 122.975 119.950 -0.514 0.000 2.722 160 F HA 0.454 4.981 4.527 -0.000 0.000 0.336 160 F C -1.846 173.637 175.800 -0.529 0.000 1.216 160 F CA -1.063 56.709 58.000 -0.381 0.000 1.065 160 F CB 0.814 39.660 39.000 -0.257 0.000 1.325 160 F HN 0.068 nan 8.300 nan 0.000 0.524 161 F N 5.025 124.883 119.950 -0.153 0.000 2.421 161 F HA 0.611 5.138 4.527 -0.000 0.000 0.337 161 F C 0.771 176.542 175.800 -0.048 0.000 1.105 161 F CA -0.778 57.234 58.000 0.019 0.000 1.049 161 F CB 1.218 40.204 39.000 -0.024 0.000 1.139 161 F HN 0.288 nan 8.300 nan 0.000 0.479 162 R N 1.319 122.076 120.500 0.429 0.000 2.738 162 R HA 0.491 4.831 4.340 0.000 0.000 0.268 162 R C -0.089 176.364 176.300 0.255 0.000 1.062 162 R CA -0.525 55.840 56.100 0.441 0.000 1.158 162 R CB 0.413 30.956 30.300 0.405 0.000 1.046 162 R HN 0.752 nan 8.270 nan 0.000 0.493 163 A N 1.366 124.332 122.820 0.243 0.000 2.425 163 A HA 0.348 4.668 4.320 0.000 0.000 0.249 163 A C 0.611 178.270 177.584 0.125 0.000 1.084 163 A CA -0.008 52.109 52.037 0.133 0.000 0.781 163 A CB 0.315 19.414 19.000 0.166 0.000 1.019 163 A HN 0.781 nan 8.150 nan 0.000 0.490 164 G N 0.343 109.157 108.800 0.024 0.000 2.559 164 G HA2 0.433 4.393 3.960 0.000 0.000 0.235 164 G HA3 0.433 4.393 3.960 0.000 0.000 0.235 164 G C -0.223 174.712 174.900 0.059 0.000 1.266 164 G CA 0.238 45.324 45.100 -0.024 0.000 0.847 164 G HN 1.017 nan 8.290 nan 0.000 0.583 165 F N -0.254 119.624 119.950 -0.120 0.000 2.764 165 F HA 0.714 5.241 4.527 -0.000 0.000 0.347 165 F C 0.884 176.603 175.800 -0.135 0.000 1.151 165 F CA -0.826 57.101 58.000 -0.122 0.000 1.021 165 F CB 0.149 39.083 39.000 -0.110 0.000 1.438 165 F HN 0.451 nan 8.300 nan 0.000 0.516 166 V N -0.965 119.002 119.914 0.088 0.000 2.295 166 V HA -0.132 3.988 4.120 0.000 0.000 0.212 166 V C 1.924 177.913 176.094 -0.176 0.000 1.025 166 V CA 1.134 63.401 62.300 -0.054 0.000 1.060 166 V CB -1.564 30.261 31.823 0.004 0.000 0.674 166 V HN 1.066 nan 8.190 nan 0.000 0.470 167 c N 1.098 119.587 118.600 -0.185 0.000 2.284 167 c HA -0.132 4.438 4.570 0.000 0.000 0.269 167 c C 0.300 174.154 174.090 -0.394 0.000 1.133 167 c CA 2.406 58.554 56.329 -0.301 0.000 1.794 167 c CB -2.668 39.588 42.510 -0.423 0.000 1.976 167 c HN 0.672 nan 8.230 nan 0.000 0.424 168 P HA 0.259 nan 4.420 nan 0.000 0.299 168 P C 0.773 177.752 177.300 -0.535 0.000 1.363 168 P CA 1.984 64.808 63.100 -0.460 0.000 0.837 168 P CB 0.315 31.758 31.700 -0.429 0.000 2.115 169 T N -5.480 108.700 114.554 -0.622 0.000 3.795 169 T HA 0.145 4.495 4.350 0.000 0.000 0.279 169 T C -2.734 171.724 174.700 -0.404 0.000 0.922 169 T CA 0.040 61.656 62.100 -0.807 0.000 0.705 169 T CB -1.534 67.045 68.868 -0.482 0.000 1.164 169 T HN -0.030 nan 8.240 nan 0.000 0.882 170 P HA 0.394 nan 4.420 nan 0.000 0.277 170 P C -1.956 175.466 177.300 0.204 0.000 1.240 170 P CA -0.902 62.211 63.100 0.021 0.000 0.798 170 P CB 0.763 32.469 31.700 0.012 0.000 0.979 171 P HA -0.319 nan 4.420 nan 0.000 0.224 171 P C -0.019 177.464 177.300 0.304 0.000 0.837 171 P CA 1.853 65.076 63.100 0.204 0.000 1.060 171 P CB -0.414 31.352 31.700 0.110 0.000 0.717 172 Y N -3.361 116.984 120.300 0.075 0.000 2.500 172 Y HA -0.263 4.287 4.550 -0.000 0.000 0.115 172 Y C 1.043 176.930 175.900 -0.021 0.000 1.696 172 Y CA 0.802 58.937 58.100 0.058 0.000 1.423 172 Y CB -1.394 37.166 38.460 0.166 0.000 2.068 172 Y HN 0.289 nan 8.280 nan 0.000 0.253 173 Q N -0.685 118.717 119.800 -0.663 0.000 1.687 173 Q HA 0.138 4.478 4.340 0.000 0.000 0.173 173 Q C 1.119 176.818 176.000 -0.502 0.000 0.704 173 Q CA 0.478 55.996 55.803 -0.475 0.000 0.762 173 Q CB 0.547 29.125 28.738 -0.266 0.000 1.202 173 Q HN 0.569 nan 8.270 nan 0.000 0.384 174 S N 1.061 116.259 115.700 -0.837 0.000 2.341 174 S HA -0.165 4.305 4.470 0.000 0.000 0.495 174 S C 1.053 175.585 174.600 -0.114 0.000 1.100 174 S CA 1.349 59.361 58.200 -0.314 0.000 2.870 174 S CB -0.454 62.669 63.200 -0.128 0.000 1.820 174 S HN 0.408 nan 8.310 nan 0.000 0.390 175 L N -0.071 120.974 121.223 -0.298 0.000 2.650 175 L HA 0.552 4.892 4.340 0.000 0.000 0.145 175 L C 0.096 176.564 176.870 -0.670 0.000 1.710 175 L CA 0.071 54.251 54.840 -1.099 0.000 3.000 175 L CB -0.069 41.471 42.059 -0.865 0.000 3.029 175 L HN 0.517 nan 8.230 nan 0.000 0.800 176 A N 0.687 123.164 122.820 -0.571 0.000 2.287 176 A HA 0.410 4.731 4.320 0.000 0.000 0.317 176 A C -0.432 177.092 177.584 -0.100 0.000 1.220 176 A CA -0.548 51.329 52.037 -0.266 0.000 0.835 176 A CB 0.666 19.530 19.000 -0.227 0.000 1.180 176 A HN 0.571 nan 8.150 nan 0.000 0.500 177 R N 2.220 122.681 120.500 -0.065 0.000 2.695 177 R HA -0.044 4.296 4.340 0.000 0.000 0.304 177 R C -1.114 175.219 176.300 0.055 0.000 0.836 177 R CA 1.060 57.115 56.100 -0.075 0.000 1.135 177 R CB -0.266 29.822 30.300 -0.353 0.000 0.882 177 R HN 0.657 nan 8.270 nan 0.000 0.413 178 D N 3.406 123.829 120.400 0.039 0.000 2.362 178 D HA 0.206 4.846 4.640 0.000 0.000 0.247 178 D C -0.284 176.048 176.300 0.053 0.000 1.050 178 D CA -0.559 53.469 54.000 0.047 0.000 0.839 178 D CB 1.786 42.609 40.800 0.038 0.000 1.283 178 D HN 0.443 nan 8.370 nan 0.000 0.477 179 Q N 0.347 120.145 119.800 -0.004 0.000 2.222 179 Q HA 0.610 4.950 4.340 0.000 0.000 0.211 179 Q C -0.235 175.758 176.000 -0.013 0.000 1.013 179 Q CA -0.393 55.386 55.803 -0.040 0.000 0.993 179 Q CB 1.245 29.842 28.738 -0.234 0.000 1.151 179 Q HN 0.399 nan 8.270 nan 0.000 0.544 180 I N 0.435 120.980 120.570 -0.042 0.000 2.530 180 I HA 0.369 4.539 4.170 0.000 0.000 0.297 180 I C -0.452 175.629 176.117 -0.059 0.000 1.011 180 I CA -1.067 60.201 61.300 -0.052 0.000 1.107 180 I CB 1.633 39.580 38.000 -0.088 0.000 1.285 180 I HN 0.360 nan 8.210 nan 0.000 0.436 181 N N 3.586 122.267 118.700 -0.031 0.000 2.426 181 N HA 0.399 5.139 4.740 0.000 0.000 0.257 181 N C 0.126 175.631 175.510 -0.009 0.000 1.002 181 N CA -0.224 52.818 53.050 -0.012 0.000 0.942 181 N CB 1.830 40.319 38.487 0.003 0.000 1.112 181 N HN 0.779 nan 8.380 nan 0.000 0.499 182 A N 2.620 125.437 122.820 -0.004 0.000 2.370 182 A HA 0.264 4.584 4.320 0.000 0.000 0.238 182 A C 0.314 177.967 177.584 0.115 0.000 1.289 182 A CA -0.070 51.987 52.037 0.033 0.000 0.885 182 A CB -0.352 18.646 19.000 -0.003 0.000 0.961 182 A HN 0.447 nan 8.150 nan 0.000 0.499 183 V N -3.834 116.146 119.914 0.110 0.000 3.141 183 V HA 0.778 4.898 4.120 0.000 0.000 0.312 183 V C -0.060 176.085 176.094 0.085 0.000 1.157 183 V CA -0.329 62.040 62.300 0.115 0.000 1.041 183 V CB 1.037 32.941 31.823 0.134 0.000 1.071 183 V HN 0.357 nan 8.190 nan 0.000 0.441 184 T N -0.886 113.731 114.554 0.106 0.000 2.851 184 T HA 0.264 4.614 4.350 0.000 0.000 0.298 184 T C 0.896 175.615 174.700 0.030 0.000 0.977 184 T CA 0.416 62.575 62.100 0.099 0.000 1.126 184 T CB 0.970 69.970 68.868 0.220 0.000 0.916 184 T HN 0.832 nan 8.240 nan 0.000 0.529 185 S N 1.958 117.558 115.700 -0.166 0.000 2.595 185 S HA 0.148 4.618 4.470 0.000 0.000 0.235 185 S C 0.007 174.449 174.600 -0.263 0.000 0.974 185 S CA 0.133 58.176 58.200 -0.263 0.000 0.942 185 S CB -0.611 62.355 63.200 -0.390 0.000 0.766 185 S HN 0.659 nan 8.310 nan 0.000 0.536 186 F N 0.585 120.631 119.950 0.160 0.000 2.397 186 F HA 0.376 4.903 4.527 0.000 0.000 0.331 186 F C 0.498 176.449 175.800 0.251 0.000 1.090 186 F CA -1.179 56.950 58.000 0.214 0.000 1.065 186 F CB 0.486 39.616 39.000 0.217 0.000 1.184 186 F HN -0.118 nan 8.300 nan 0.000 0.499 187 L N 3.113 124.656 121.223 0.532 0.000 2.415 187 L HA 0.095 4.435 4.340 0.000 0.000 0.269 187 L C -0.288 176.826 176.870 0.408 0.000 1.244 187 L CA 0.178 55.303 54.840 0.475 0.000 1.113 187 L CB -0.664 41.762 42.059 0.613 0.000 1.352 187 L HN 0.747 nan 8.230 nan 0.000 0.433 188 D N 1.175 121.779 120.400 0.340 0.000 2.620 188 D HA 0.204 4.844 4.640 0.000 0.000 0.260 188 D C 0.673 177.134 176.300 0.269 0.000 1.367 188 D CA 0.185 54.357 54.000 0.287 0.000 0.805 188 D CB 0.607 41.563 40.800 0.259 0.000 1.096 188 D HN 0.289 nan 8.370 nan 0.000 0.488 189 A N 0.581 123.547 122.820 0.244 0.000 2.930 189 A HA -0.226 4.095 4.320 0.000 0.000 0.273 189 A C 1.809 179.522 177.584 0.216 0.000 1.435 189 A CA 1.084 53.246 52.037 0.209 0.000 0.780 189 A CB -2.558 16.616 19.000 0.290 0.000 1.034 189 A HN 0.821 nan 8.150 nan 0.000 0.562 190 S N -0.153 115.663 115.700 0.193 0.000 2.402 190 S HA -0.109 4.361 4.470 0.000 0.000 0.229 190 S C 1.949 176.615 174.600 0.109 0.000 1.021 190 S CA 1.228 59.536 58.200 0.179 0.000 0.974 190 S CB -0.864 62.435 63.200 0.164 0.000 0.800 190 S HN 1.843 nan 8.310 nan 0.000 0.484 191 L N 0.107 121.372 121.223 0.070 0.000 2.127 191 L HA 0.008 4.348 4.340 0.000 0.000 0.211 191 L C 2.159 179.064 176.870 0.058 0.000 1.089 191 L CA 1.414 56.293 54.840 0.065 0.000 0.757 191 L CB -0.861 41.201 42.059 0.005 0.000 0.899 191 L HN 0.233 nan 8.230 nan 0.000 0.434 192 V N -0.904 118.967 119.914 -0.071 0.000 2.599 192 V HA -0.133 3.987 4.120 0.000 0.000 0.245 192 V C 1.765 177.622 176.094 -0.396 0.000 1.046 192 V CA 1.321 63.448 62.300 -0.289 0.000 1.065 192 V CB -0.579 30.889 31.823 -0.592 0.000 0.703 192 V HN 0.424 nan 8.190 nan 0.000 0.464 193 Y N 0.416 120.733 120.300 0.028 0.000 2.458 193 Y HA 0.562 5.112 4.550 0.000 0.000 0.256 193 Y C 1.309 177.241 175.900 0.053 0.000 1.159 193 Y CA 0.370 58.493 58.100 0.040 0.000 1.261 193 Y CB 0.462 38.958 38.460 0.060 0.000 1.119 193 Y HN 0.319 nan 8.280 nan 0.000 0.524 194 G N 0.030 108.924 108.800 0.157 0.000 2.705 194 G HA2 -0.187 3.773 3.960 0.000 0.000 0.686 194 G HA3 -0.187 3.773 3.960 0.000 0.000 0.686 194 G C 0.249 175.224 174.900 0.125 0.000 1.285 194 G CA -0.146 45.021 45.100 0.112 0.000 0.800 194 G HN 0.080 nan 8.290 nan 0.000 0.611 195 S N 0.484 116.244 115.700 0.100 0.000 2.539 195 S HA 0.241 4.711 4.470 0.000 0.000 0.221 195 S C 0.661 175.309 174.600 0.080 0.000 0.987 195 S CA 0.642 58.903 58.200 0.102 0.000 0.929 195 S CB 0.250 63.513 63.200 0.105 0.000 0.832 195 S HN 0.604 nan 8.310 nan 0.000 0.492 196 E N 1.151 121.390 120.200 0.066 0.000 2.207 196 E HA 0.264 4.614 4.350 0.000 0.000 0.270 196 E C -2.230 174.393 176.600 0.039 0.000 0.927 196 E CA -2.330 54.097 56.400 0.046 0.000 0.799 196 E CB 1.361 31.083 29.700 0.036 0.000 1.172 196 E HN -0.114 nan 8.360 nan 0.000 0.404 197 P HA -0.133 nan 4.420 nan 0.000 0.223 197 P C 0.924 178.224 177.300 -0.001 0.000 1.151 197 P CA 0.951 64.058 63.100 0.012 0.000 0.787 197 P CB 0.316 32.021 31.700 0.008 0.000 0.788 198 S N -0.360 115.341 115.700 0.003 0.000 2.371 198 S HA -0.074 4.396 4.470 0.000 0.000 0.221 198 S C 1.833 176.433 174.600 -0.001 0.000 1.036 198 S CA 0.609 58.806 58.200 -0.004 0.000 0.965 198 S CB -1.599 61.600 63.200 -0.002 0.000 0.845 198 S HN 0.031 nan 8.310 nan 0.000 0.475 199 L N 2.751 123.980 121.223 0.010 0.000 2.017 199 L HA 0.188 4.528 4.340 0.000 0.000 0.208 199 L C 2.578 179.458 176.870 0.017 0.000 1.073 199 L CA 1.894 56.742 54.840 0.014 0.000 0.745 199 L CB -1.380 40.693 42.059 0.024 0.000 0.894 199 L HN 0.325 nan 8.230 nan 0.000 0.432 200 A N -1.399 121.439 122.820 0.030 0.000 2.084 200 A HA -0.254 4.067 4.320 0.000 0.000 0.221 200 A C 2.502 180.075 177.584 -0.018 0.000 1.161 200 A CA 2.007 54.070 52.037 0.044 0.000 0.653 200 A CB -1.021 18.015 19.000 0.060 0.000 0.802 200 A HN 0.626 nan 8.150 nan 0.000 0.457 201 S N -0.844 114.834 115.700 -0.036 0.000 2.336 201 S HA -0.131 4.339 4.470 0.000 0.000 0.216 201 S C 2.193 176.765 174.600 -0.048 0.000 1.032 201 S CA 1.047 59.208 58.200 -0.066 0.000 0.973 201 S CB -0.398 62.772 63.200 -0.051 0.000 0.888 201 S HN 0.605 nan 8.310 nan 0.000 0.455 202 R N 0.444 120.929 120.500 -0.025 0.000 2.139 202 R HA -0.048 4.292 4.340 0.000 0.000 0.243 202 R C 2.050 178.341 176.300 -0.014 0.000 1.145 202 R CA 1.458 57.549 56.100 -0.015 0.000 0.976 202 R CB -0.487 29.810 30.300 -0.005 0.000 0.866 202 R HN 0.480 nan 8.270 nan 0.000 0.449 203 L N 0.282 121.499 121.223 -0.011 0.000 2.465 203 L HA -0.021 4.319 4.340 0.000 0.000 0.224 203 L C 0.668 177.530 176.870 -0.012 0.000 1.145 203 L CA 0.613 55.446 54.840 -0.011 0.000 0.834 203 L CB -0.143 41.919 42.059 0.004 0.000 0.944 203 L HN 0.068 nan 8.230 nan 0.000 0.451 204 R N 0.526 121.011 120.500 -0.026 0.000 2.486 204 R HA 0.175 4.515 4.340 0.000 0.000 0.286 204 R C 0.074 176.362 176.300 -0.020 0.000 0.999 204 R CA -0.632 55.449 56.100 -0.031 0.000 0.993 204 R CB 0.724 30.949 30.300 -0.124 0.000 1.084 204 R HN -0.143 nan 8.270 nan 0.000 0.487 205 N N 3.545 122.249 118.700 0.008 0.000 2.868 205 N HA 0.056 4.796 4.740 0.000 0.000 0.252 205 N C 0.342 175.857 175.510 0.009 0.000 1.130 205 N CA 0.007 53.066 53.050 0.015 0.000 1.026 205 N CB 0.386 38.896 38.487 0.038 0.000 1.335 205 N HN 0.581 nan 8.380 nan 0.000 0.516 206 L N 0.743 121.959 121.223 -0.012 0.000 2.492 206 L HA 0.008 4.348 4.340 0.000 0.000 0.223 206 L C 1.585 178.453 176.870 -0.003 0.000 1.132 206 L CA 0.298 55.127 54.840 -0.020 0.000 0.850 206 L CB -0.115 41.920 42.059 -0.040 0.000 0.966 206 L HN 0.316 nan 8.230 nan 0.000 0.454 207 S N -0.787 114.917 115.700 0.007 0.000 2.603 207 S HA 0.001 4.471 4.470 0.000 0.000 0.229 207 S C 0.802 175.414 174.600 0.019 0.000 0.972 207 S CA 0.276 58.484 58.200 0.013 0.000 0.935 207 S CB -0.493 62.717 63.200 0.017 0.000 0.769 207 S HN 0.545 nan 8.310 nan 0.000 0.536 208 S N 0.431 116.145 115.700 0.023 0.000 2.627 208 S HA 0.641 5.111 4.470 0.000 0.000 0.283 208 S C -3.212 171.407 174.600 0.031 0.000 1.127 208 S CA -1.376 56.842 58.200 0.029 0.000 0.863 208 S CB 1.868 65.091 63.200 0.037 0.000 1.121 208 S HN 0.027 nan 8.310 nan 0.000 0.479 209 P HA 0.435 nan 4.420 nan 0.000 0.250 209 P C -0.030 177.303 177.300 0.054 0.000 1.808 209 P CA -0.286 62.838 63.100 0.040 0.000 1.117 209 P CB -0.296 31.428 31.700 0.039 0.000 1.602 210 L N -1.247 120.011 121.223 0.059 0.000 2.616 210 L HA 0.371 4.711 4.340 0.000 0.000 0.229 210 L C 1.347 178.270 176.870 0.089 0.000 1.110 210 L CA 0.554 55.433 54.840 0.065 0.000 0.884 210 L CB -0.468 41.624 42.059 0.054 0.000 1.115 210 L HN 0.162 nan 8.230 nan 0.000 0.481 211 G N 1.297 110.165 108.800 0.114 0.000 2.272 211 G HA2 -0.254 3.706 3.960 0.000 0.000 0.280 211 G HA3 -0.254 3.706 3.960 0.000 0.000 0.280 211 G C -0.064 175.011 174.900 0.293 0.000 1.067 211 G CA -0.005 45.212 45.100 0.194 0.000 0.902 211 G HN 0.208 nan 8.290 nan 0.000 0.500 212 L N -0.281 121.079 121.223 0.228 0.000 2.352 212 L HA 0.661 5.001 4.340 0.000 0.000 0.269 212 L C 0.969 177.984 176.870 0.241 0.000 1.034 212 L CA -1.236 53.763 54.840 0.265 0.000 0.806 212 L CB 1.209 43.354 42.059 0.144 0.000 1.244 212 L HN 0.065 nan 8.230 nan 0.000 0.447 213 M N 1.386 121.113 119.600 0.213 0.000 2.277 213 M HA 0.333 4.813 4.480 0.000 0.000 0.350 213 M C 0.185 176.498 176.300 0.021 0.000 1.180 213 M CA -0.495 54.836 55.300 0.051 0.000 1.103 213 M CB 1.391 33.936 32.600 -0.093 0.000 1.577 213 M HN 0.665 nan 8.290 nan 0.000 0.459 214 A N 3.099 125.913 122.820 -0.009 0.000 2.511 214 A HA 0.425 4.745 4.320 0.000 0.000 0.242 214 A C 0.182 177.720 177.584 -0.077 0.000 1.069 214 A CA -0.393 51.627 52.037 -0.028 0.000 0.763 214 A CB -0.077 18.907 19.000 -0.027 0.000 1.001 214 A HN 0.801 nan 8.150 nan 0.000 0.498 215 V N 0.929 120.783 119.914 -0.099 0.000 3.204 215 V HA 0.576 4.696 4.120 0.000 0.000 0.316 215 V C 0.203 176.156 176.094 -0.234 0.000 1.160 215 V CA -1.384 60.794 62.300 -0.202 0.000 1.044 215 V CB 1.688 33.356 31.823 -0.259 0.000 1.136 215 V HN 0.836 nan 8.190 nan 0.000 0.455 216 N N 1.543 120.021 118.700 -0.369 0.000 2.470 216 N HA 0.194 4.934 4.740 0.000 0.000 0.268 216 N C 0.494 175.795 175.510 -0.348 0.000 1.136 216 N CA -0.032 52.792 53.050 -0.376 0.000 0.961 216 N CB 1.509 39.696 38.487 -0.500 0.000 1.067 216 N HN 0.751 nan 8.380 nan 0.000 0.468 217 Q N 2.087 121.821 119.800 -0.110 0.000 2.392 217 Q HA 0.033 4.373 4.340 0.000 0.000 0.203 217 Q C 0.190 176.285 176.000 0.158 0.000 0.917 217 Q CA 0.605 56.454 55.803 0.076 0.000 0.939 217 Q CB 0.477 29.285 28.738 0.116 0.000 1.063 217 Q HN 0.600 nan 8.270 nan 0.000 0.516 218 E N 0.109 120.368 120.200 0.099 0.000 2.476 218 E HA 0.267 4.617 4.350 0.000 0.000 0.199 218 E C -0.396 176.340 176.600 0.227 0.000 1.021 218 E CA 0.056 56.583 56.400 0.211 0.000 0.907 218 E CB 1.059 30.950 29.700 0.317 0.000 0.974 218 E HN 0.197 nan 8.360 nan 0.000 0.489 219 A N -0.190 122.680 122.820 0.083 0.000 2.488 219 A HA 0.652 4.972 4.320 0.000 0.000 0.298 219 A C -1.777 175.757 177.584 -0.084 0.000 1.044 219 A CA -0.738 51.407 52.037 0.181 0.000 0.693 219 A CB 0.745 19.923 19.000 0.297 0.000 1.272 219 A HN 0.129 nan 8.150 nan 0.000 0.402 220 W N 0.084 121.426 121.300 0.070 0.000 2.929 220 W HA 0.623 5.283 4.660 0.000 0.000 0.345 220 W C -0.778 175.568 176.519 -0.290 0.000 1.151 220 W CA 0.127 57.383 57.345 -0.150 0.000 1.111 220 W CB 1.912 31.320 29.460 -0.088 0.000 1.449 220 W HN 0.629 nan 8.180 nan 0.000 0.572 221 D N 0.376 120.642 120.400 -0.224 0.000 2.378 221 D HA 0.189 4.830 4.640 0.000 0.000 0.265 221 D C -0.140 176.156 176.300 -0.006 0.000 1.229 221 D CA -0.124 53.710 54.000 -0.277 0.000 0.914 221 D CB -0.304 40.154 40.800 -0.571 0.000 1.140 221 D HN 0.507 nan 8.370 nan 0.000 0.516 222 H N 2.270 121.404 119.070 0.107 0.000 2.741 222 H HA -0.191 4.365 4.556 0.000 0.000 0.305 222 H C 1.270 176.684 175.328 0.143 0.000 1.169 222 H CA 1.398 57.518 56.048 0.121 0.000 1.144 222 H CB -1.294 28.566 29.762 0.164 0.000 1.397 222 H HN 0.791 nan 8.280 nan 0.000 0.409 223 G N -1.104 107.824 108.800 0.213 0.000 2.199 223 G HA2 -0.306 3.654 3.960 0.000 0.000 0.254 223 G HA3 -0.306 3.654 3.960 0.000 0.000 0.254 223 G C 0.368 175.470 174.900 0.337 0.000 0.982 223 G CA 0.365 45.569 45.100 0.174 0.000 0.632 223 G HN 0.435 nan 8.290 nan 0.000 0.529 224 L N 0.613 121.979 121.223 0.238 0.000 2.387 224 L HA 0.796 5.136 4.340 0.000 0.000 0.266 224 L C 1.019 177.822 176.870 -0.112 0.000 1.059 224 L CA -0.521 54.362 54.840 0.072 0.000 0.801 224 L CB 1.495 43.504 42.059 -0.083 0.000 1.223 224 L HN 0.295 nan 8.230 nan 0.000 0.456 225 A N 0.918 123.562 122.820 -0.294 0.000 2.252 225 A HA 0.633 4.953 4.320 0.000 0.000 0.305 225 A C -1.207 176.002 177.584 -0.624 0.000 1.097 225 A CA -0.165 51.492 52.037 -0.633 0.000 0.849 225 A CB 0.536 19.237 19.000 -0.498 0.000 1.142 225 A HN 0.601 nan 8.150 nan 0.000 0.499 226 Y N -0.558 119.420 120.300 -0.536 0.000 2.570 226 Y HA 0.455 5.005 4.550 0.000 0.000 0.345 226 Y C -2.123 173.405 175.900 -0.620 0.000 1.014 226 Y CA -2.450 55.319 58.100 -0.552 0.000 1.063 226 Y CB 2.327 40.522 38.460 -0.442 0.000 1.272 226 Y HN 0.463 nan 8.280 nan 0.000 0.477 227 P HA 0.155 nan 4.420 nan 0.000 0.274 227 P C -2.705 174.382 177.300 -0.356 0.000 1.256 227 P CA -1.393 61.417 63.100 -0.483 0.000 0.795 227 P CB 0.122 31.477 31.700 -0.577 0.000 1.038 228 P HA 0.140 nan 4.420 nan 0.000 0.272 228 P C -0.610 176.690 177.300 0.001 0.000 1.223 228 P CA 0.140 63.152 63.100 -0.146 0.000 0.784 228 P CB 0.148 31.810 31.700 -0.064 0.000 0.923 229 F N 1.211 121.222 119.950 0.103 0.000 2.429 229 F HA 0.154 4.682 4.527 0.000 0.000 0.348 229 F C 1.434 177.271 175.800 0.061 0.000 1.109 229 F CA -0.116 57.947 58.000 0.104 0.000 1.232 229 F CB -0.134 38.902 39.000 0.061 0.000 1.157 229 F HN 0.215 nan 8.300 nan 0.000 0.564 230 N N 3.436 122.305 118.700 0.282 0.000 2.469 230 N HA 0.013 4.753 4.740 0.000 0.000 0.239 230 N C -0.121 175.454 175.510 0.109 0.000 1.053 230 N CA 0.002 53.140 53.050 0.147 0.000 0.937 230 N CB -0.005 38.547 38.487 0.108 0.000 1.163 230 N HN 0.475 nan 8.380 nan 0.000 0.509 231 N N 2.577 121.331 118.700 0.091 0.000 2.413 231 N HA 0.015 4.755 4.740 0.000 0.000 0.207 231 N C -0.327 175.197 175.510 0.024 0.000 1.206 231 N CA 0.057 53.135 53.050 0.047 0.000 0.832 231 N CB 0.494 39.013 38.487 0.054 0.000 1.037 231 N HN 0.302 nan 8.380 nan 0.000 0.467 232 V N 1.695 121.624 119.914 0.025 0.000 2.439 232 V HA 0.061 4.181 4.120 0.000 0.000 0.271 232 V C 0.639 176.736 176.094 0.005 0.000 1.040 232 V CA 0.014 62.322 62.300 0.012 0.000 1.002 232 V CB 0.397 32.227 31.823 0.011 0.000 1.000 232 V HN 0.010 nan 8.190 nan 0.000 0.477 233 K N 5.991 126.391 120.400 0.001 0.000 2.164 233 K HA 0.554 4.874 4.320 0.000 0.000 0.258 233 K C -2.085 174.511 176.600 -0.006 0.000 0.951 233 K CA -1.493 54.795 56.287 0.001 0.000 0.844 233 K CB 1.497 33.999 32.500 0.004 0.000 1.099 233 K HN 0.556 nan 8.250 nan 0.000 0.435 234 P HA 0.040 nan 4.420 nan 0.000 0.272 234 P C -0.893 176.409 177.300 0.003 0.000 1.223 234 P CA -0.366 62.737 63.100 0.005 0.000 0.784 234 P CB 1.154 32.851 31.700 -0.005 0.000 0.923 235 S N 1.603 117.323 115.700 0.032 0.000 2.498 235 S HA 0.432 4.902 4.470 0.000 0.000 0.317 235 S C -1.800 172.847 174.600 0.078 0.000 1.090 235 S CA -1.655 56.568 58.200 0.039 0.000 1.089 235 S CB 1.110 64.329 63.200 0.031 0.000 0.997 235 S HN 0.139 nan 8.310 nan 0.000 0.470 236 P HA -0.015 nan 4.420 nan 0.000 0.218 236 P C 1.052 178.478 177.300 0.209 0.000 1.148 236 P CA 0.927 64.063 63.100 0.061 0.000 0.822 236 P CB -0.006 31.549 31.700 -0.241 0.000 0.784 237 c N -0.817 117.901 118.600 0.196 0.000 2.446 237 c HA -0.038 4.532 4.570 0.000 0.000 0.279 237 c C 2.449 176.608 174.090 0.114 0.000 1.366 237 c CA 0.649 57.083 56.329 0.175 0.000 1.763 237 c CB -1.454 41.111 42.510 0.092 0.000 1.929 237 c HN 0.351 nan 8.230 nan 0.000 0.509 238 E N 0.021 120.277 120.200 0.094 0.000 2.086 238 E HA -0.107 4.243 4.350 0.000 0.000 0.190 238 E C 1.780 178.415 176.600 0.058 0.000 0.975 238 E CA 0.726 57.152 56.400 0.043 0.000 0.813 238 E CB -0.306 29.419 29.700 0.042 0.000 0.768 238 E HN 0.677 nan 8.360 nan 0.000 0.457 239 F N 2.353 122.314 119.950 0.017 0.000 2.192 239 F HA -0.205 4.323 4.527 0.000 0.000 0.301 239 F C 2.048 177.864 175.800 0.026 0.000 1.079 239 F CA 1.439 59.463 58.000 0.040 0.000 1.303 239 F CB -0.110 38.958 39.000 0.113 0.000 1.024 239 F HN -0.001 nan 8.300 nan 0.000 0.494 240 I N -2.098 118.461 120.570 -0.019 0.000 2.928 240 I HA 0.004 4.174 4.170 0.000 0.000 0.266 240 I C 0.374 176.386 176.117 -0.175 0.000 1.234 240 I CA 0.863 62.086 61.300 -0.128 0.000 1.483 240 I CB -0.333 37.663 38.000 -0.007 0.000 1.097 240 I HN 0.132 nan 8.210 nan 0.000 0.455 241 N N 0.858 119.436 118.700 -0.204 0.000 2.710 241 N HA 0.128 4.869 4.740 0.000 0.000 0.244 241 N C 0.498 175.776 175.510 -0.387 0.000 1.321 241 N CA 0.098 52.936 53.050 -0.354 0.000 0.758 241 N CB 0.834 38.954 38.487 -0.612 0.000 1.284 241 N HN 0.060 nan 8.380 nan 0.000 0.530 242 T N -0.155 114.179 114.554 -0.367 0.000 2.620 242 T HA -0.188 4.162 4.350 0.000 0.000 0.267 242 T C 1.576 175.936 174.700 -0.567 0.000 1.044 242 T CA 2.250 64.140 62.100 -0.349 0.000 1.161 242 T CB -0.264 68.440 68.868 -0.273 0.000 0.862 242 T HN 0.385 nan 8.240 nan 0.000 0.438 243 T N 1.507 115.746 114.554 -0.524 0.000 2.788 243 T HA 0.061 4.411 4.350 0.000 0.000 0.268 243 T C 2.339 176.659 174.700 -0.634 0.000 1.044 243 T CA 1.088 62.856 62.100 -0.554 0.000 1.139 243 T CB -0.484 68.168 68.868 -0.361 0.000 0.867 243 T HN 0.502 nan 8.240 nan 0.000 0.454 244 A N 0.246 122.711 122.820 -0.590 0.000 2.066 244 A HA -0.045 4.275 4.320 0.000 0.000 0.218 244 A C 0.899 178.344 177.584 -0.232 0.000 1.157 244 A CA 0.898 52.681 52.037 -0.423 0.000 0.670 244 A CB -0.473 18.192 19.000 -0.559 0.000 0.804 244 A HN 0.667 nan 8.150 nan 0.000 0.453 245 H N -2.312 116.658 119.070 -0.168 0.000 3.047 245 H HA -0.135 4.421 4.556 0.000 0.000 0.263 245 H C -0.277 174.937 175.328 -0.190 0.000 1.168 245 H CA 0.779 56.739 56.048 -0.147 0.000 1.152 245 H CB -2.442 27.245 29.762 -0.124 0.000 1.278 245 H HN 0.303 nan 8.280 nan 0.000 0.339 246 V N 3.097 122.952 119.914 -0.099 0.000 2.461 246 V HA 0.250 4.371 4.120 0.000 0.000 0.275 246 V C -1.258 174.692 176.094 -0.240 0.000 1.047 246 V CA -0.860 61.312 62.300 -0.212 0.000 0.955 246 V CB 1.775 33.563 31.823 -0.058 0.000 0.988 246 V HN 0.070 nan 8.190 nan 0.000 0.471 247 P HA 0.341 nan 4.420 nan 0.000 0.284 247 P C -0.470 176.745 177.300 -0.142 0.000 1.287 247 P CA -0.815 62.136 63.100 -0.249 0.000 0.824 247 P CB 1.194 32.725 31.700 -0.280 0.000 1.180 248 c N -0.042 118.549 118.600 -0.016 0.000 2.700 248 c HA 0.251 4.821 4.570 0.000 0.000 0.397 248 c C 0.932 175.098 174.090 0.127 0.000 1.301 248 c CA 0.009 56.347 56.329 0.014 0.000 2.219 248 c CB -1.484 41.085 42.510 0.098 0.000 2.699 248 c HN 0.362 nan 8.230 nan 0.000 0.669 249 F N 1.113 121.109 119.950 0.077 0.000 2.410 249 F HA 0.296 4.823 4.527 0.000 0.000 0.334 249 F C 0.693 176.468 175.800 -0.042 0.000 1.134 249 F CA -0.158 57.844 58.000 0.002 0.000 1.227 249 F CB 0.339 39.279 39.000 -0.101 0.000 1.194 249 F HN 0.500 nan 8.300 nan 0.000 0.571 250 Q N 2.021 121.920 119.800 0.165 0.000 2.400 250 Q HA 0.647 4.987 4.340 0.000 0.000 0.255 250 Q C -0.995 174.971 176.000 -0.057 0.000 1.008 250 Q CA -0.508 55.318 55.803 0.039 0.000 0.841 250 Q CB 1.253 30.019 28.738 0.046 0.000 1.220 250 Q HN 0.814 nan 8.270 nan 0.000 0.474 251 A N 1.854 124.613 122.820 -0.101 0.000 2.392 251 A HA 0.737 5.057 4.320 0.000 0.000 0.283 251 A C 0.791 178.331 177.584 -0.073 0.000 1.197 251 A CA -0.139 51.814 52.037 -0.139 0.000 0.895 251 A CB 0.798 19.609 19.000 -0.315 0.000 1.400 251 A HN 0.768 nan 8.150 nan 0.000 0.461 252 G N -0.973 107.802 108.800 -0.041 0.000 2.776 252 G HA2 0.307 4.267 3.960 0.000 0.000 0.209 252 G HA3 0.307 4.267 3.960 0.000 0.000 0.209 252 G C -0.182 174.721 174.900 0.005 0.000 1.145 252 G CA 1.191 46.292 45.100 0.001 0.000 0.791 252 G HN 0.738 nan 8.290 nan 0.000 0.530 253 D N -1.354 119.027 120.400 -0.031 0.000 2.855 253 D HA 0.275 4.915 4.640 0.000 0.000 0.241 253 D C 1.347 177.546 176.300 -0.168 0.000 1.277 253 D CA -0.163 53.782 54.000 -0.091 0.000 0.918 253 D CB 1.233 42.005 40.800 -0.046 0.000 1.462 253 D HN -0.067 nan 8.370 nan 0.000 0.559 254 S N 3.086 118.659 115.700 -0.212 0.000 2.528 254 S HA -0.177 4.293 4.470 0.000 0.000 0.244 254 S C 1.180 175.651 174.600 -0.215 0.000 0.982 254 S CA 0.574 58.664 58.200 -0.183 0.000 0.953 254 S CB -0.164 62.962 63.200 -0.124 0.000 0.754 254 S HN 0.530 nan 8.310 nan 0.000 0.529 255 R N 0.618 120.927 120.500 -0.318 0.000 2.393 255 R HA 0.533 4.873 4.340 0.000 0.000 0.244 255 R C 2.056 178.281 176.300 -0.125 0.000 0.920 255 R CA 0.525 56.480 56.100 -0.242 0.000 1.076 255 R CB -0.470 29.582 30.300 -0.413 0.000 1.119 255 R HN 0.410 nan 8.270 nan 0.000 0.524 256 A N 0.635 123.356 122.820 -0.166 0.000 2.032 256 A HA -0.162 4.158 4.320 0.000 0.000 0.221 256 A C 1.569 179.063 177.584 -0.150 0.000 1.165 256 A CA 1.770 53.639 52.037 -0.281 0.000 0.645 256 A CB -0.221 18.299 19.000 -0.801 0.000 0.807 256 A HN 0.255 nan 8.150 nan 0.000 0.453 257 S N -0.673 114.934 115.700 -0.154 0.000 2.572 257 S HA 0.066 4.536 4.470 0.000 0.000 0.228 257 S C 1.395 175.683 174.600 -0.519 0.000 0.963 257 S CA 0.078 58.165 58.200 -0.189 0.000 0.939 257 S CB 0.187 63.336 63.200 -0.086 0.000 0.804 257 S HN 0.623 nan 8.310 nan 0.000 0.480 258 E N 2.147 121.960 120.200 -0.645 0.000 2.171 258 E HA -0.201 4.149 4.350 0.000 0.000 0.197 258 E C 0.316 176.643 176.600 -0.455 0.000 0.997 258 E CA 1.271 57.099 56.400 -0.954 0.000 0.810 258 E CB 0.153 29.600 29.700 -0.421 0.000 0.738 258 E HN 0.767 nan 8.360 nan 0.000 0.467 259 Q N -1.651 118.036 119.800 -0.188 0.000 2.352 259 Q HA 0.278 4.618 4.340 0.000 0.000 0.270 259 Q C 0.512 176.484 176.000 -0.046 0.000 1.006 259 Q CA -0.299 55.505 55.803 0.002 0.000 0.880 259 Q CB 0.433 29.249 28.738 0.130 0.000 1.392 259 Q HN -0.026 nan 8.270 nan 0.000 0.401 260 I N 1.074 121.606 120.570 -0.064 0.000 2.185 260 I HA -0.302 3.868 4.170 0.000 0.000 0.246 260 I C 0.761 176.866 176.117 -0.020 0.000 1.088 260 I CA 1.486 62.745 61.300 -0.069 0.000 1.347 260 I CB 0.131 38.054 38.000 -0.127 0.000 1.041 260 I HN 0.841 nan 8.210 nan 0.000 0.415 261 L N -0.190 121.024 121.223 -0.016 0.000 2.141 261 L HA -0.193 4.147 4.340 0.000 0.000 0.209 261 L C 2.176 179.062 176.870 0.027 0.000 1.094 261 L CA 1.509 56.354 54.840 0.008 0.000 0.763 261 L CB -1.321 40.742 42.059 0.008 0.000 0.908 261 L HN 0.322 nan 8.230 nan 0.000 0.437 262 L N -0.164 121.068 121.223 0.016 0.000 2.027 262 L HA -0.080 4.260 4.340 0.000 0.000 0.206 262 L C 2.524 179.488 176.870 0.156 0.000 1.074 262 L CA 2.008 56.871 54.840 0.039 0.000 0.745 262 L CB -1.026 41.036 42.059 0.005 0.000 0.898 262 L HN 0.188 nan 8.230 nan 0.000 0.433 263 A N -1.463 121.435 122.820 0.131 0.000 1.940 263 A HA -0.210 4.110 4.320 0.000 0.000 0.219 263 A C 2.174 179.855 177.584 0.161 0.000 1.176 263 A CA 2.294 54.447 52.037 0.194 0.000 0.631 263 A CB -1.212 17.947 19.000 0.266 0.000 0.814 263 A HN 0.545 nan 8.150 nan 0.000 0.446 264 T N -0.222 114.402 114.554 0.116 0.000 2.520 264 T HA -0.154 4.196 4.350 0.000 0.000 0.258 264 T C 1.833 176.593 174.700 0.100 0.000 1.125 264 T CA 1.762 63.918 62.100 0.093 0.000 1.206 264 T CB -0.838 68.071 68.868 0.069 0.000 0.864 264 T HN 0.115 nan 8.240 nan 0.000 0.400 265 V N 1.580 121.566 119.914 0.120 0.000 2.428 265 V HA -0.269 3.851 4.120 0.000 0.000 0.255 265 V C 2.476 178.613 176.094 0.071 0.000 1.080 265 V CA 1.749 64.144 62.300 0.158 0.000 1.083 265 V CB -0.828 31.107 31.823 0.186 0.000 0.665 265 V HN 0.576 nan 8.190 nan 0.000 0.461 266 H N -0.069 118.998 119.070 -0.006 0.000 2.353 266 H HA -0.121 4.435 4.556 0.000 0.000 0.300 266 H C 2.482 177.737 175.328 -0.121 0.000 1.090 266 H CA 2.120 58.127 56.048 -0.069 0.000 1.327 266 H CB -0.196 29.516 29.762 -0.084 0.000 1.383 266 H HN 0.436 nan 8.280 nan 0.000 0.508 267 T N 1.339 115.894 114.554 0.002 0.000 2.777 267 T HA -0.093 4.257 4.350 0.000 0.000 0.266 267 T C 2.216 176.861 174.700 -0.092 0.000 1.040 267 T CA 0.425 62.462 62.100 -0.106 0.000 1.141 267 T CB -0.247 68.559 68.868 -0.103 0.000 0.868 267 T HN 0.014 nan 8.240 nan 0.000 0.444 268 L N 1.132 122.323 121.223 -0.053 0.000 1.990 268 L HA -0.066 4.274 4.340 0.000 0.000 0.213 268 L C 2.367 179.164 176.870 -0.122 0.000 1.072 268 L CA 1.548 56.332 54.840 -0.093 0.000 0.755 268 L CB -1.167 40.859 42.059 -0.055 0.000 0.889 268 L HN 0.293 nan 8.230 nan 0.000 0.432 269 L N -1.619 119.558 121.223 -0.078 0.000 2.012 269 L HA -0.264 4.076 4.340 0.000 0.000 0.210 269 L C 2.539 179.333 176.870 -0.127 0.000 1.073 269 L CA 1.126 55.905 54.840 -0.102 0.000 0.748 269 L CB -0.700 41.312 42.059 -0.077 0.000 0.891 269 L HN 0.287 nan 8.230 nan 0.000 0.431 270 L N 0.031 121.176 121.223 -0.129 0.000 2.042 270 L HA -0.225 4.115 4.340 0.000 0.000 0.210 270 L C 2.777 179.595 176.870 -0.086 0.000 1.076 270 L CA 1.714 56.472 54.840 -0.137 0.000 0.749 270 L CB -0.404 41.554 42.059 -0.167 0.000 0.893 270 L HN 0.096 nan 8.230 nan 0.000 0.432 271 R N -0.853 119.576 120.500 -0.118 0.000 2.092 271 R HA -0.177 4.163 4.340 0.000 0.000 0.231 271 R C 2.186 178.413 176.300 -0.122 0.000 1.119 271 R CA 1.199 57.228 56.100 -0.119 0.000 0.970 271 R CB -0.360 29.850 30.300 -0.150 0.000 0.864 271 R HN 0.331 nan 8.270 nan 0.000 0.440 272 E N 0.409 120.514 120.200 -0.159 0.000 2.118 272 E HA -0.221 4.129 4.350 0.000 0.000 0.195 272 E C 1.582 178.092 176.600 -0.150 0.000 0.992 272 E CA 1.616 57.890 56.400 -0.210 0.000 0.804 272 E CB -0.168 29.341 29.700 -0.317 0.000 0.741 272 E HN 0.404 nan 8.360 nan 0.000 0.458 273 H N 0.350 119.331 119.070 -0.148 0.000 2.325 273 H HA -0.097 4.460 4.556 0.000 0.000 0.296 273 H C 1.762 177.047 175.328 -0.071 0.000 1.053 273 H CA 2.545 58.544 56.048 -0.081 0.000 1.204 273 H CB -0.500 29.241 29.762 -0.034 0.000 1.383 273 H HN 0.128 nan 8.280 nan 0.000 0.532 274 N N 0.405 119.109 118.700 0.007 0.000 2.111 274 N HA -0.240 4.500 4.740 0.000 0.000 0.197 274 N C 2.094 177.527 175.510 -0.129 0.000 1.011 274 N CA 1.582 54.612 53.050 -0.034 0.000 0.880 274 N CB -0.522 37.995 38.487 0.049 0.000 1.031 274 N HN 0.451 nan 8.380 nan 0.000 0.444 275 R N 0.136 120.555 120.500 -0.136 0.000 2.081 275 R HA -0.080 4.260 4.340 0.000 0.000 0.235 275 R C 1.684 177.874 176.300 -0.182 0.000 1.131 275 R CA 0.986 56.999 56.100 -0.146 0.000 0.960 275 R CB -0.142 30.063 30.300 -0.157 0.000 0.856 275 R HN 0.059 nan 8.270 nan 0.000 0.436 276 L N 0.616 121.694 121.223 -0.241 0.000 2.027 276 L HA -0.047 4.293 4.340 0.000 0.000 0.206 276 L C 2.573 179.297 176.870 -0.243 0.000 1.074 276 L CA 2.051 56.729 54.840 -0.270 0.000 0.745 276 L CB -1.240 40.630 42.059 -0.314 0.000 0.898 276 L HN 0.264 nan 8.230 nan 0.000 0.433 277 A N -0.639 122.004 122.820 -0.294 0.000 1.948 277 A HA -0.245 4.075 4.320 0.000 0.000 0.220 277 A C 2.486 180.008 177.584 -0.102 0.000 1.177 277 A CA 1.813 53.730 52.037 -0.201 0.000 0.636 277 A CB -0.464 18.391 19.000 -0.242 0.000 0.815 277 A HN 0.390 nan 8.150 nan 0.000 0.449 278 R N -1.117 119.321 120.500 -0.104 0.000 2.073 278 R HA -0.064 4.277 4.340 0.000 0.000 0.229 278 R C 2.163 178.415 176.300 -0.081 0.000 1.120 278 R CA 1.112 57.171 56.100 -0.069 0.000 0.967 278 R CB -0.261 30.005 30.300 -0.058 0.000 0.862 278 R HN 0.385 nan 8.270 nan 0.000 0.436 279 E N 1.136 121.271 120.200 -0.109 0.000 2.038 279 E HA -0.157 4.193 4.350 0.000 0.000 0.195 279 E C 1.958 178.487 176.600 -0.118 0.000 1.000 279 E CA 1.337 57.670 56.400 -0.113 0.000 0.803 279 E CB -0.221 29.395 29.700 -0.141 0.000 0.750 279 E HN 0.248 nan 8.360 nan 0.000 0.448 280 L N 0.530 121.677 121.223 -0.127 0.000 2.456 280 L HA -0.082 4.258 4.340 0.000 0.000 0.224 280 L C 2.155 178.926 176.870 -0.165 0.000 1.148 280 L CA 0.827 55.581 54.840 -0.144 0.000 0.825 280 L CB -0.370 41.663 42.059 -0.043 0.000 0.937 280 L HN -0.019 nan 8.230 nan 0.000 0.450 281 K N 0.603 120.948 120.400 -0.091 0.000 2.137 281 K HA -0.016 4.304 4.320 0.000 0.000 0.202 281 K C 2.183 178.728 176.600 -0.092 0.000 1.052 281 K CA 1.043 57.288 56.287 -0.071 0.000 0.961 281 K CB 0.028 32.517 32.500 -0.018 0.000 0.741 281 K HN 0.055 nan 8.250 nan 0.000 0.452 282 R N 0.134 120.585 120.500 -0.082 0.000 2.070 282 R HA -0.021 4.319 4.340 0.000 0.000 0.233 282 R C 2.310 178.558 176.300 -0.088 0.000 1.137 282 R CA 1.758 57.817 56.100 -0.069 0.000 0.945 282 R CB -0.514 29.750 30.300 -0.060 0.000 0.845 282 R HN 0.187 nan 8.270 nan 0.000 0.430 283 L N 0.549 121.700 121.223 -0.120 0.000 2.017 283 L HA -0.136 4.204 4.340 0.000 0.000 0.208 283 L C 0.246 176.998 176.870 -0.197 0.000 1.073 283 L CA 1.055 55.815 54.840 -0.134 0.000 0.745 283 L CB -0.182 41.799 42.059 -0.131 0.000 0.894 283 L HN 0.220 nan 8.230 nan 0.000 0.432 284 N N -0.558 117.928 118.700 -0.356 0.000 2.898 284 N HA 0.181 4.922 4.740 0.000 0.000 0.245 284 N C -2.006 173.287 175.510 -0.363 0.000 1.185 284 N CA -1.189 51.539 53.050 -0.536 0.000 0.879 284 N CB 1.265 38.860 38.487 -1.486 0.000 1.157 284 N HN -0.052 nan 8.380 nan 0.000 0.503 285 P HA -0.168 nan 4.420 nan 0.000 0.217 285 P C 1.143 178.488 177.300 0.075 0.000 1.148 285 P CA 1.367 64.476 63.100 0.015 0.000 0.828 285 P CB 0.057 31.788 31.700 0.053 0.000 0.783 286 H N -4.053 115.021 119.070 0.006 0.000 2.547 286 H HA 0.007 4.563 4.556 0.000 0.000 0.266 286 H C 0.033 175.521 175.328 0.267 0.000 0.988 286 H CA -0.153 55.960 56.048 0.108 0.000 1.147 286 H CB -0.893 28.934 29.762 0.108 0.000 1.365 286 H HN 0.107 nan 8.280 nan 0.000 0.589 287 W N 4.421 125.504 121.300 -0.363 0.000 2.238 287 W HA 0.157 4.817 4.660 0.000 0.000 0.321 287 W C 0.688 177.161 176.519 -0.075 0.000 1.293 287 W CA -0.994 56.213 57.345 -0.230 0.000 1.204 287 W CB 0.543 29.875 29.460 -0.214 0.000 1.167 287 W HN 0.268 nan 8.180 nan 0.000 0.553 288 D N 0.352 120.842 120.400 0.149 0.000 2.387 288 D HA 0.171 4.811 4.640 0.000 0.000 0.251 288 D C 1.306 177.649 176.300 0.072 0.000 1.141 288 D CA -0.119 53.934 54.000 0.089 0.000 0.987 288 D CB 0.907 41.739 40.800 0.052 0.000 1.116 288 D HN 0.485 nan 8.370 nan 0.000 0.491 289 G N 0.220 109.055 108.800 0.057 0.000 2.469 289 G HA2 -0.379 3.581 3.960 0.000 0.000 0.219 289 G HA3 -0.379 3.581 3.960 0.000 0.000 0.219 289 G C 1.340 176.268 174.900 0.046 0.000 1.150 289 G CA 1.360 46.494 45.100 0.058 0.000 0.763 289 G HN 0.675 nan 8.290 nan 0.000 0.561 290 E N -0.014 120.187 120.200 0.003 0.000 2.077 290 E HA -0.082 4.268 4.350 0.000 0.000 0.193 290 E C 2.391 178.960 176.600 -0.052 0.000 0.989 290 E CA 1.079 57.465 56.400 -0.023 0.000 0.800 290 E CB -0.373 29.302 29.700 -0.042 0.000 0.746 290 E HN 0.409 nan 8.360 nan 0.000 0.452 291 M N -0.360 119.171 119.600 -0.115 0.000 2.229 291 M HA -0.118 4.362 4.480 0.000 0.000 0.264 291 M C 1.300 177.454 176.300 -0.244 0.000 1.063 291 M CA 0.696 55.822 55.300 -0.289 0.000 1.114 291 M CB -0.010 32.287 32.600 -0.505 0.000 1.387 291 M HN 0.240 nan 8.290 nan 0.000 0.420 292 L N -0.554 120.659 121.223 -0.016 0.000 1.937 292 L HA -0.243 4.097 4.340 0.000 0.000 0.213 292 L C 2.327 179.200 176.870 0.006 0.000 1.077 292 L CA 2.021 56.916 54.840 0.092 0.000 0.758 292 L CB -2.096 40.041 42.059 0.130 0.000 0.888 292 L HN 0.319 nan 8.230 nan 0.000 0.433 293 Y N 0.942 121.215 120.300 -0.044 0.000 2.038 293 Y HA -0.398 4.152 4.550 0.000 0.000 0.266 293 Y C 2.821 178.638 175.900 -0.139 0.000 1.220 293 Y CA 2.379 60.483 58.100 0.007 0.000 1.107 293 Y CB -0.323 38.124 38.460 -0.021 0.000 0.932 293 Y HN 0.302 nan 8.280 nan 0.000 0.500 294 Q N 0.150 119.810 119.800 -0.233 0.000 2.002 294 Q HA -0.213 4.127 4.340 0.000 0.000 0.204 294 Q C 2.194 177.827 176.000 -0.612 0.000 0.988 294 Q CA 1.928 57.359 55.803 -0.620 0.000 0.843 294 Q CB -0.611 27.489 28.738 -1.063 0.000 0.908 294 Q HN 0.614 nan 8.270 nan 0.000 0.420 295 E N 0.559 120.494 120.200 -0.441 0.000 2.085 295 E HA -0.155 4.195 4.350 0.000 0.000 0.194 295 E C 1.922 178.483 176.600 -0.064 0.000 0.994 295 E CA 1.153 57.494 56.400 -0.097 0.000 0.801 295 E CB -0.259 29.509 29.700 0.113 0.000 0.743 295 E HN 0.332 nan 8.360 nan 0.000 0.453 296 A N 1.569 124.290 122.820 -0.164 0.000 1.859 296 A HA -0.270 4.050 4.320 0.000 0.000 0.217 296 A C 2.263 179.770 177.584 -0.129 0.000 1.198 296 A CA 2.222 54.131 52.037 -0.214 0.000 0.629 296 A CB -0.716 18.041 19.000 -0.405 0.000 0.830 296 A HN 0.222 nan 8.150 nan 0.000 0.446 297 R N -0.145 120.192 120.500 -0.273 0.000 2.113 297 R HA -0.251 4.089 4.340 0.000 0.000 0.244 297 R C 2.261 178.505 176.300 -0.092 0.000 1.142 297 R CA 2.315 58.189 56.100 -0.378 0.000 0.953 297 R CB -0.313 29.364 30.300 -1.039 0.000 0.860 297 R HN 0.549 nan 8.270 nan 0.000 0.438 298 K N 0.045 120.414 120.400 -0.052 0.000 2.009 298 K HA -0.157 4.163 4.320 0.000 0.000 0.210 298 K C 1.942 178.764 176.600 0.371 0.000 1.049 298 K CA 1.932 58.325 56.287 0.177 0.000 0.929 298 K CB -0.114 32.519 32.500 0.222 0.000 0.714 298 K HN 0.139 nan 8.250 nan 0.000 0.440 299 I N 1.245 121.985 120.570 0.284 0.000 2.163 299 I HA -0.243 3.928 4.170 0.000 0.000 0.243 299 I C 2.326 178.518 176.117 0.124 0.000 1.085 299 I CA 1.009 62.417 61.300 0.179 0.000 1.347 299 I CB -1.453 36.479 38.000 -0.113 0.000 1.044 299 I HN 0.273 nan 8.210 nan 0.000 0.408 300 L N 1.542 122.835 121.223 0.117 0.000 2.042 300 L HA -0.110 4.231 4.340 0.000 0.000 0.210 300 L C 2.407 179.442 176.870 0.275 0.000 1.076 300 L CA 2.296 57.233 54.840 0.162 0.000 0.749 300 L CB -1.301 40.888 42.059 0.217 0.000 0.893 300 L HN 0.262 nan 8.230 nan 0.000 0.432 301 G N -1.571 107.390 108.800 0.269 0.000 2.422 301 G HA2 -0.164 3.796 3.960 0.000 0.000 0.218 301 G HA3 -0.164 3.796 3.960 0.000 0.000 0.218 301 G C 1.557 176.587 174.900 0.216 0.000 1.140 301 G CA 0.609 45.871 45.100 0.270 0.000 0.775 301 G HN 0.618 nan 8.290 nan 0.000 0.545 302 A N 0.167 123.097 122.820 0.184 0.000 2.067 302 A HA 0.160 4.481 4.320 0.000 0.000 0.219 302 A C 2.013 179.467 177.584 -0.218 0.000 1.158 302 A CA 1.248 53.256 52.037 -0.048 0.000 0.661 302 A CB -0.398 18.525 19.000 -0.129 0.000 0.801 302 A HN 0.414 nan 8.150 nan 0.000 0.452 303 F N 0.585 120.453 119.950 -0.137 0.000 2.074 303 F HA -0.059 4.468 4.527 0.000 0.000 0.293 303 F C 1.889 177.714 175.800 0.042 0.000 1.116 303 F CA 1.655 59.590 58.000 -0.109 0.000 1.212 303 F CB -0.288 38.688 39.000 -0.040 0.000 0.998 303 F HN 0.132 nan 8.300 nan 0.000 0.471 304 I N 0.470 121.213 120.570 0.288 0.000 2.423 304 I HA -0.331 3.839 4.170 0.000 0.000 0.254 304 I C 2.219 178.518 176.117 0.303 0.000 1.151 304 I CA 1.403 62.939 61.300 0.393 0.000 1.421 304 I CB -0.549 37.712 38.000 0.436 0.000 1.079 304 I HN 0.411 nan 8.210 nan 0.000 0.431 305 Q N 0.376 120.255 119.800 0.132 0.000 2.062 305 Q HA -0.092 4.248 4.340 0.000 0.000 0.196 305 Q C 2.404 178.451 176.000 0.079 0.000 0.967 305 Q CA 1.213 57.099 55.803 0.138 0.000 0.832 305 Q CB 0.029 28.633 28.738 -0.223 0.000 0.899 305 Q HN 0.505 nan 8.270 nan 0.000 0.442 306 I N 0.452 120.855 120.570 -0.278 0.000 2.142 306 I HA -0.297 3.873 4.170 0.000 0.000 0.240 306 I C 2.001 178.055 176.117 -0.105 0.000 1.078 306 I CA 1.031 62.154 61.300 -0.294 0.000 1.343 306 I CB -0.228 37.409 38.000 -0.605 0.000 1.046 306 I HN 0.152 nan 8.210 nan 0.000 0.405 307 I N 0.470 120.883 120.570 -0.262 0.000 2.226 307 I HA -0.271 3.899 4.170 0.000 0.000 0.245 307 I C 2.585 178.713 176.117 0.018 0.000 1.100 307 I CA 1.767 62.929 61.300 -0.229 0.000 1.374 307 I CB -0.944 36.695 38.000 -0.602 0.000 1.057 307 I HN 0.176 nan 8.210 nan 0.000 0.413 308 T N 0.159 114.899 114.554 0.310 0.000 2.684 308 T HA -0.182 4.168 4.350 0.000 0.000 0.267 308 T C 1.682 176.542 174.700 0.268 0.000 1.036 308 T CA 1.721 64.103 62.100 0.470 0.000 1.148 308 T CB -0.392 68.845 68.868 0.616 0.000 0.863 308 T HN 0.126 nan 8.240 nan 0.000 0.436 309 F N 0.458 120.552 119.950 0.241 0.000 2.512 309 F HA 0.278 4.806 4.527 0.000 0.000 0.296 309 F C 2.441 178.335 175.800 0.158 0.000 1.110 309 F CA 0.228 58.371 58.000 0.238 0.000 1.446 309 F CB -0.100 39.174 39.000 0.456 0.000 1.092 309 F HN -0.039 nan 8.300 nan 0.000 0.554 310 R N 0.001 120.654 120.500 0.255 0.000 2.103 310 R HA -0.016 4.324 4.340 0.000 0.000 0.212 310 R C 1.118 177.457 176.300 0.065 0.000 1.107 310 R CA 1.303 57.497 56.100 0.157 0.000 1.025 310 R CB 0.028 30.406 30.300 0.130 0.000 0.929 310 R HN 0.074 nan 8.270 nan 0.000 0.456 311 D N -0.831 119.578 120.400 0.015 0.000 2.380 311 D HA -0.055 4.585 4.640 0.000 0.000 0.212 311 D C 1.099 177.197 176.300 -0.337 0.000 1.021 311 D CA 0.482 54.451 54.000 -0.052 0.000 0.884 311 D CB -0.028 40.864 40.800 0.154 0.000 1.001 311 D HN 0.144 nan 8.370 nan 0.000 0.506 312 Y N 2.004 122.006 120.300 -0.497 0.000 2.342 312 Y HA 0.050 4.601 4.550 0.000 0.000 0.259 312 Y C 2.229 178.004 175.900 -0.209 0.000 1.049 312 Y CA 0.801 58.614 58.100 -0.478 0.000 1.059 312 Y CB -0.774 37.546 38.460 -0.234 0.000 1.026 312 Y HN -0.270 nan 8.280 nan 0.000 0.473 313 L N 0.478 121.489 121.223 -0.353 0.000 2.113 313 L HA -0.309 4.031 4.340 0.000 0.000 0.221 313 L C -0.546 176.140 176.870 -0.308 0.000 1.084 313 L CA 2.209 56.763 54.840 -0.478 0.000 0.787 313 L CB -2.103 39.637 42.059 -0.530 0.000 0.893 313 L HN 0.310 nan 8.230 nan 0.000 0.440 314 P HA -0.181 nan 4.420 nan 0.000 0.216 314 P C 1.663 178.880 177.300 -0.138 0.000 1.150 314 P CA 1.461 64.490 63.100 -0.119 0.000 0.837 314 P CB -0.114 31.545 31.700 -0.068 0.000 0.786 315 I N -5.008 115.451 120.570 -0.185 0.000 3.684 315 I HA 0.035 4.205 4.170 0.000 0.000 0.304 315 I C 1.122 177.160 176.117 -0.131 0.000 1.278 315 I CA 0.489 61.678 61.300 -0.185 0.000 1.272 315 I CB -0.238 37.599 38.000 -0.272 0.000 1.029 315 I HN -0.207 nan 8.210 nan 0.000 0.458 316 V N 1.363 121.174 119.914 -0.171 0.000 2.490 316 V HA -0.017 4.103 4.120 0.000 0.000 0.238 316 V C 2.333 178.334 176.094 -0.154 0.000 1.056 316 V CA 1.098 63.313 62.300 -0.142 0.000 1.075 316 V CB -0.186 31.425 31.823 -0.352 0.000 0.746 316 V HN 0.359 nan 8.190 nan 0.000 0.479 317 L N 0.098 121.231 121.223 -0.150 0.000 2.240 317 L HA 0.303 4.643 4.340 0.000 0.000 0.211 317 L C 1.805 178.656 176.870 -0.032 0.000 1.106 317 L CA 1.002 55.798 54.840 -0.073 0.000 0.793 317 L CB -1.134 40.914 42.059 -0.019 0.000 0.927 317 L HN 0.547 nan 8.230 nan 0.000 0.446 318 G N 0.995 109.764 108.800 -0.051 0.000 2.583 318 G HA2 -0.424 3.536 3.960 0.000 0.000 0.292 318 G HA3 -0.424 3.536 3.960 0.000 0.000 0.292 318 G C 0.928 175.822 174.900 -0.010 0.000 1.203 318 G CA 0.723 45.801 45.100 -0.037 0.000 0.987 318 G HN 0.401 nan 8.290 nan 0.000 0.554 319 S N 0.571 116.268 115.700 -0.006 0.000 2.528 319 S HA 0.027 4.497 4.470 0.000 0.000 0.244 319 S C 1.311 175.919 174.600 0.013 0.000 0.982 319 S CA 1.945 60.144 58.200 -0.001 0.000 0.953 319 S CB 0.029 63.225 63.200 -0.007 0.000 0.754 319 S HN 0.633 nan 8.310 nan 0.000 0.529 320 E N 0.118 120.349 120.200 0.052 0.000 2.465 320 E HA 0.244 4.594 4.350 0.000 0.000 0.195 320 E C 1.142 177.854 176.600 0.186 0.000 1.028 320 E CA -0.137 56.334 56.400 0.118 0.000 0.899 320 E CB 0.045 29.882 29.700 0.228 0.000 1.032 320 E HN 0.574 nan 8.360 nan 0.000 0.468 321 M N 1.443 121.103 119.600 0.101 0.000 2.123 321 M HA -0.183 4.297 4.480 0.000 0.000 0.263 321 M C 2.223 178.589 176.300 0.109 0.000 1.069 321 M CA 1.816 57.179 55.300 0.106 0.000 1.133 321 M CB -0.006 32.620 32.600 0.044 0.000 1.356 321 M HN -0.008 nan 8.290 nan 0.000 0.415 322 Q N -0.689 119.140 119.800 0.048 0.000 2.451 322 Q HA -0.121 4.219 4.340 0.000 0.000 0.206 322 Q C 1.716 177.690 176.000 -0.044 0.000 0.947 322 Q CA 1.103 56.919 55.803 0.023 0.000 0.937 322 Q CB -0.410 28.332 28.738 0.007 0.000 1.025 322 Q HN 0.606 nan 8.270 nan 0.000 0.511 323 K N -0.517 119.809 120.400 -0.122 0.000 2.361 323 K HA -0.017 4.303 4.320 0.000 0.000 0.196 323 K C 0.472 176.747 176.600 -0.541 0.000 1.039 323 K CA 0.714 56.779 56.287 -0.369 0.000 1.001 323 K CB 0.162 32.377 32.500 -0.475 0.000 0.795 323 K HN 0.375 nan 8.250 nan 0.000 0.495 324 W N -0.507 120.809 121.300 0.027 0.000 3.283 324 W HA 0.304 4.964 4.660 0.000 0.000 0.235 324 W C -0.242 176.316 176.519 0.066 0.000 1.123 324 W CA -0.693 56.676 57.345 0.041 0.000 1.534 324 W CB 0.828 30.322 29.460 0.057 0.000 0.839 324 W HN -0.205 nan 8.180 nan 0.000 0.734 325 I N 3.046 123.800 120.570 0.305 0.000 2.523 325 I HA 0.216 4.386 4.170 0.000 0.000 0.281 325 I C -2.005 174.221 176.117 0.182 0.000 1.126 325 I CA -2.215 59.237 61.300 0.253 0.000 1.187 325 I CB -0.019 38.141 38.000 0.266 0.000 1.478 325 I HN -0.359 nan 8.210 nan 0.000 0.522 326 P HA 0.310 nan 4.420 nan 0.000 0.274 326 P C -2.566 174.810 177.300 0.127 0.000 1.256 326 P CA -1.317 61.840 63.100 0.096 0.000 0.795 326 P CB -0.384 31.348 31.700 0.053 0.000 1.038 327 P HA 0.045 nan 4.420 nan 0.000 0.269 327 P C -0.301 177.104 177.300 0.175 0.000 1.209 327 P CA -0.037 63.152 63.100 0.149 0.000 0.776 327 P CB -0.065 31.703 31.700 0.114 0.000 0.876 328 Y N 2.044 122.371 120.300 0.045 0.000 2.811 328 Y HA -0.088 4.462 4.550 0.000 0.000 0.334 328 Y C 1.332 177.230 175.900 -0.003 0.000 1.247 328 Y CA 0.989 59.091 58.100 0.003 0.000 1.526 328 Y CB 0.285 38.757 38.460 0.020 0.000 1.284 328 Y HN 0.361 nan 8.280 nan 0.000 0.586 329 Q N 3.847 123.404 119.800 -0.406 0.000 2.164 329 Q HA 0.277 4.617 4.340 0.000 0.000 0.226 329 Q C 0.499 176.136 176.000 -0.605 0.000 0.813 329 Q CA 0.528 56.107 55.803 -0.373 0.000 0.978 329 Q CB 0.693 29.311 28.738 -0.200 0.000 1.149 329 Q HN 0.995 nan 8.270 nan 0.000 0.489 330 G N 1.436 109.406 108.800 -1.384 0.000 2.690 330 G HA2 -0.285 3.675 3.960 0.000 0.000 0.686 330 G HA3 -0.285 3.675 3.960 0.000 0.000 0.686 330 G C -0.844 173.807 174.900 -0.416 0.000 1.277 330 G CA -0.719 43.806 45.100 -0.957 0.000 0.799 330 G HN 0.167 nan 8.290 nan 0.000 0.613 331 Y N 1.479 121.665 120.300 -0.189 0.000 2.903 331 Y HA 0.330 4.880 4.550 0.000 0.000 0.338 331 Y C 0.625 176.488 175.900 -0.062 0.000 1.265 331 Y CA 0.570 58.650 58.100 -0.034 0.000 1.532 331 Y CB 0.652 39.119 38.460 0.012 0.000 1.293 331 Y HN 0.777 nan 8.280 nan 0.000 0.609 332 N N 5.022 123.376 118.700 -0.578 0.000 2.577 332 N HA 0.049 4.789 4.740 0.000 0.000 0.275 332 N C -0.037 175.023 175.510 -0.750 0.000 1.091 332 N CA -0.482 52.242 53.050 -0.543 0.000 0.843 332 N CB 0.260 38.603 38.487 -0.239 0.000 1.295 332 N HN 0.845 nan 8.380 nan 0.000 0.530 333 N N 1.720 119.923 118.700 -0.828 0.000 2.573 333 N HA -0.068 4.672 4.740 0.000 0.000 0.187 333 N C 0.241 175.650 175.510 -0.168 0.000 1.107 333 N CA 0.482 53.248 53.050 -0.473 0.000 0.918 333 N CB 0.171 38.514 38.487 -0.241 0.000 0.966 333 N HN 0.216 nan 8.380 nan 0.000 0.448 334 S N 0.041 115.647 115.700 -0.158 0.000 2.446 334 S HA 0.092 4.562 4.470 0.000 0.000 0.225 334 S C 0.788 175.366 174.600 -0.037 0.000 1.016 334 S CA -0.227 57.930 58.200 -0.072 0.000 0.943 334 S CB 0.192 63.349 63.200 -0.071 0.000 0.786 334 S HN 0.160 nan 8.310 nan 0.000 0.508 335 V N 3.462 123.348 119.914 -0.047 0.000 2.572 335 V HA 0.112 4.232 4.120 0.000 0.000 0.291 335 V C 0.206 176.334 176.094 0.056 0.000 1.039 335 V CA -0.571 61.729 62.300 0.000 0.000 1.055 335 V CB 0.662 32.485 31.823 0.000 0.000 0.969 335 V HN 0.205 nan 8.190 nan 0.000 0.482 336 D N 7.355 127.792 120.400 0.061 0.000 2.336 336 D HA 0.189 4.829 4.640 0.000 0.000 0.249 336 D C -1.262 175.101 176.300 0.106 0.000 1.213 336 D CA -1.970 52.086 54.000 0.093 0.000 0.870 336 D CB 1.656 42.515 40.800 0.098 0.000 1.076 336 D HN 0.307 nan 8.370 nan 0.000 0.483 337 P HA 0.028 nan 4.420 nan 0.000 0.245 337 P C 0.172 177.421 177.300 -0.085 0.000 1.206 337 P CA -0.052 63.084 63.100 0.061 0.000 0.781 337 P CB 0.492 32.307 31.700 0.192 0.000 0.994 338 R N 0.441 120.917 120.500 -0.040 0.000 2.623 338 R HA 0.165 4.506 4.340 0.000 0.000 0.271 338 R C 0.675 176.937 176.300 -0.064 0.000 1.043 338 R CA -0.392 55.668 56.100 -0.066 0.000 1.083 338 R CB 0.303 30.609 30.300 0.010 0.000 0.974 338 R HN 0.042 nan 8.270 nan 0.000 0.436 339 I N 1.926 122.419 120.570 -0.127 0.000 2.575 339 I HA -0.013 4.157 4.170 0.000 0.000 0.285 339 I C 1.040 177.050 176.117 -0.179 0.000 1.085 339 I CA 0.264 61.446 61.300 -0.197 0.000 1.403 339 I CB 0.943 38.868 38.000 -0.124 0.000 1.409 339 I HN 0.671 nan 8.210 nan 0.000 0.557 340 S N 4.671 120.146 115.700 -0.376 0.000 2.646 340 S HA 0.276 4.746 4.470 0.000 0.000 0.276 340 S C 0.937 175.347 174.600 -0.317 0.000 1.222 340 S CA -0.707 57.154 58.200 -0.565 0.000 1.014 340 S CB 1.702 63.876 63.200 -1.709 0.000 0.991 340 S HN 0.604 nan 8.310 nan 0.000 0.533 341 N N 0.769 119.357 118.700 -0.187 0.000 2.043 341 N HA -0.137 4.603 4.740 0.000 0.000 0.193 341 N C 1.751 177.266 175.510 0.009 0.000 1.037 341 N CA 1.525 54.587 53.050 0.020 0.000 0.851 341 N CB -0.757 37.825 38.487 0.159 0.000 1.027 341 N HN 0.534 nan 8.380 nan 0.000 0.422 342 V N 0.913 120.740 119.914 -0.146 0.000 2.453 342 V HA -0.223 3.897 4.120 0.000 0.000 0.252 342 V C 2.083 178.035 176.094 -0.237 0.000 1.068 342 V CA 1.617 63.765 62.300 -0.253 0.000 1.070 342 V CB -0.740 30.551 31.823 -0.887 0.000 0.664 342 V HN 0.313 nan 8.190 nan 0.000 0.461 343 F N 1.767 121.433 119.950 -0.474 0.000 2.216 343 F HA -0.161 4.366 4.527 0.000 0.000 0.300 343 F C 2.486 178.163 175.800 -0.205 0.000 1.085 343 F CA 2.051 59.834 58.000 -0.362 0.000 1.326 343 F CB -0.581 38.161 39.000 -0.431 0.000 1.027 343 F HN 0.363 nan 8.300 nan 0.000 0.497 344 T N -2.785 111.613 114.554 -0.259 0.000 3.160 344 T HA -0.051 4.299 4.350 0.000 0.000 0.257 344 T C 1.261 175.507 174.700 -0.756 0.000 1.147 344 T CA 0.893 62.706 62.100 -0.478 0.000 1.064 344 T CB -0.947 67.641 68.868 -0.466 0.000 0.949 344 T HN 0.318 nan 8.240 nan 0.000 0.526 345 F N -0.127 119.718 119.950 -0.174 0.000 2.740 345 F HA 0.583 5.110 4.527 0.000 0.000 0.304 345 F C 2.522 178.343 175.800 0.035 0.000 1.098 345 F CA -0.182 57.776 58.000 -0.070 0.000 1.258 345 F CB -0.102 38.861 39.000 -0.061 0.000 1.061 345 F HN 0.206 nan 8.300 nan 0.000 0.598 346 A N 0.188 123.015 122.820 0.012 0.000 1.872 346 A HA -0.153 4.167 4.320 0.000 0.000 0.214 346 A C 1.888 179.550 177.584 0.130 0.000 1.187 346 A CA 1.170 53.212 52.037 0.008 0.000 0.614 346 A CB -1.027 17.890 19.000 -0.137 0.000 0.826 346 A HN 0.308 nan 8.150 nan 0.000 0.442 347 F N 1.149 120.886 119.950 -0.354 0.000 2.451 347 F HA -0.021 4.506 4.527 0.000 0.000 0.299 347 F C 2.023 177.563 175.800 -0.433 0.000 1.101 347 F CA 0.549 58.337 58.000 -0.355 0.000 1.436 347 F CB -0.375 38.170 39.000 -0.757 0.000 1.074 347 F HN 0.207 nan 8.300 nan 0.000 0.553 348 R N -0.002 120.439 120.500 -0.100 0.000 2.369 348 R HA -0.161 4.179 4.340 0.000 0.000 0.200 348 R C 1.937 178.195 176.300 -0.071 0.000 1.046 348 R CA 0.795 56.698 56.100 -0.328 0.000 1.057 348 R CB -1.027 29.168 30.300 -0.176 0.000 0.888 348 R HN 0.439 nan 8.270 nan 0.000 0.474 349 F N -0.797 119.213 119.950 0.099 0.000 2.269 349 F HA 0.041 4.568 4.527 0.000 0.000 0.301 349 F C 1.997 177.840 175.800 0.072 0.000 1.082 349 F CA 0.766 58.819 58.000 0.088 0.000 1.360 349 F CB -1.028 38.005 39.000 0.055 0.000 1.041 349 F HN -0.124 nan 8.300 nan 0.000 0.512 350 G N 0.298 108.643 108.800 -0.758 0.000 2.469 350 G HA2 -0.324 3.637 3.960 0.000 0.000 0.220 350 G HA3 -0.324 3.637 3.960 0.000 0.000 0.220 350 G C 1.310 176.183 174.900 -0.045 0.000 1.136 350 G CA 1.290 46.081 45.100 -0.515 0.000 0.759 350 G HN 0.640 nan 8.290 nan 0.000 0.562 351 H N -0.209 118.884 119.070 0.039 0.000 2.466 351 H HA -0.050 4.506 4.556 0.000 0.000 0.297 351 H C 2.224 177.674 175.328 0.203 0.000 1.113 351 H CA 1.040 57.174 56.048 0.143 0.000 1.273 351 H CB -0.082 29.835 29.762 0.258 0.000 1.371 351 H HN 0.359 nan 8.280 nan 0.000 0.528 352 M N 0.320 120.125 119.600 0.342 0.000 2.568 352 M HA -0.000 4.480 4.480 0.000 0.000 0.226 352 M C 0.463 176.901 176.300 0.231 0.000 1.148 352 M CA 0.832 56.298 55.300 0.277 0.000 1.007 352 M CB 0.401 33.135 32.600 0.223 0.000 1.651 352 M HN 0.320 nan 8.290 nan 0.000 0.488 353 E N 0.062 120.389 120.200 0.211 0.000 2.562 353 E HA 0.134 4.484 4.350 0.000 0.000 0.214 353 E C -0.124 176.581 176.600 0.175 0.000 0.979 353 E CA -0.122 56.394 56.400 0.194 0.000 1.002 353 E CB 0.995 30.799 29.700 0.173 0.000 1.048 353 E HN 0.177 nan 8.360 nan 0.000 0.488 354 V N 4.830 124.852 119.914 0.179 0.000 2.470 354 V HA 0.133 4.253 4.120 0.000 0.000 0.276 354 V C -1.893 174.306 176.094 0.176 0.000 1.040 354 V CA -1.371 61.027 62.300 0.163 0.000 1.008 354 V CB 0.057 31.984 31.823 0.173 0.000 0.990 354 V HN 0.037 nan 8.190 nan 0.000 0.477 355 P HA 0.179 nan 4.420 nan 0.000 0.281 355 P C 0.860 178.239 177.300 0.131 0.000 1.249 355 P CA -0.393 62.798 63.100 0.152 0.000 0.810 355 P CB 1.492 33.273 31.700 0.134 0.000 1.008 356 S N 0.876 116.657 115.700 0.134 0.000 2.465 356 S HA -0.054 4.416 4.470 0.000 0.000 0.241 356 S C 0.805 175.440 174.600 0.059 0.000 1.000 356 S CA 1.265 59.527 58.200 0.103 0.000 0.964 356 S CB -1.192 62.069 63.200 0.102 0.000 0.763 356 S HN 0.789 nan 8.310 nan 0.000 0.512 357 T N -2.535 112.049 114.554 0.049 0.000 2.843 357 T HA 0.705 5.055 4.350 0.000 0.000 0.302 357 T C -1.151 173.553 174.700 0.008 0.000 1.232 357 T CA -0.822 61.284 62.100 0.010 0.000 1.009 357 T CB 1.780 70.657 68.868 0.016 0.000 1.254 357 T HN 0.039 nan 8.240 nan 0.000 0.504 358 V N 1.480 121.379 119.914 -0.025 0.000 2.638 358 V HA 0.701 4.822 4.120 0.000 0.000 0.306 358 V C -0.170 175.910 176.094 -0.023 0.000 1.052 358 V CA -0.617 61.669 62.300 -0.022 0.000 0.885 358 V CB 2.035 33.825 31.823 -0.054 0.000 0.999 358 V HN 1.154 nan 8.190 nan 0.000 0.424 359 S N 3.515 119.213 115.700 -0.004 0.000 2.704 359 S HA 0.817 5.287 4.470 0.000 0.000 0.305 359 S C -0.622 173.966 174.600 -0.021 0.000 1.107 359 S CA -0.892 57.309 58.200 0.001 0.000 0.993 359 S CB 1.707 64.921 63.200 0.025 0.000 1.110 359 S HN 0.681 nan 8.310 nan 0.000 0.534 360 R N 0.930 121.427 120.500 -0.005 0.000 2.502 360 R HA 0.532 4.872 4.340 0.000 0.000 0.298 360 R C -1.440 174.864 176.300 0.006 0.000 1.018 360 R CA -0.180 55.886 56.100 -0.058 0.000 0.899 360 R CB 0.947 31.206 30.300 -0.068 0.000 1.181 360 R HN 0.430 nan 8.270 nan 0.000 0.444 361 L N 2.694 123.851 121.223 -0.110 0.000 2.329 361 L HA 0.474 4.814 4.340 0.000 0.000 0.279 361 L C 0.258 177.026 176.870 -0.170 0.000 1.014 361 L CA -1.122 53.648 54.840 -0.117 0.000 0.814 361 L CB 1.520 43.434 42.059 -0.242 0.000 1.257 361 L HN 0.663 nan 8.230 nan 0.000 0.424 362 D N 0.923 121.326 120.400 0.006 0.000 2.325 362 D HA -0.043 4.597 4.640 0.000 0.000 0.262 362 D C 0.796 176.995 176.300 -0.168 0.000 1.263 362 D CA -0.182 53.858 54.000 0.068 0.000 1.020 362 D CB 0.453 41.357 40.800 0.173 0.000 1.117 362 D HN 0.553 nan 8.370 nan 0.000 0.545 363 E N -1.030 119.119 120.200 -0.085 0.000 2.338 363 E HA -0.146 4.204 4.350 0.000 0.000 0.197 363 E C 0.424 176.958 176.600 -0.111 0.000 1.007 363 E CA 0.847 57.180 56.400 -0.112 0.000 0.849 363 E CB -0.675 29.006 29.700 -0.032 0.000 0.774 363 E HN 0.479 nan 8.360 nan 0.000 0.506 364 N N -0.072 118.558 118.700 -0.116 0.000 2.273 364 N HA 0.093 4.834 4.740 0.000 0.000 0.231 364 N C -0.928 174.385 175.510 -0.327 0.000 1.134 364 N CA -0.217 52.754 53.050 -0.132 0.000 0.856 364 N CB 0.055 38.541 38.487 -0.001 0.000 1.068 364 N HN 0.069 nan 8.380 nan 0.000 0.510 365 Y N 0.073 120.031 120.300 -0.569 0.000 3.491 365 Y HA -0.302 4.248 4.550 0.000 0.000 0.215 365 Y C 0.095 175.827 175.900 -0.280 0.000 1.219 365 Y CA 0.386 58.159 58.100 -0.546 0.000 1.485 365 Y CB -1.355 36.489 38.460 -1.027 0.000 1.450 365 Y HN 0.316 nan 8.280 nan 0.000 0.603 366 Q N -0.256 119.491 119.800 -0.087 0.000 2.297 366 Q HA 0.438 4.778 4.340 0.000 0.000 0.269 366 Q C -2.330 173.679 176.000 0.015 0.000 1.051 366 Q CA -2.245 53.551 55.803 -0.012 0.000 0.869 366 Q CB 1.291 30.031 28.738 0.002 0.000 1.346 366 Q HN -0.099 nan 8.270 nan 0.000 0.457 367 P HA -0.086 nan 4.420 nan 0.000 0.260 367 P C -0.793 176.568 177.300 0.102 0.000 1.185 367 P CA 0.331 63.469 63.100 0.063 0.000 0.763 367 P CB 0.066 31.790 31.700 0.040 0.000 0.776 368 W N 6.395 127.659 121.300 -0.060 0.000 2.290 368 W HA 0.445 5.105 4.660 0.000 0.000 0.408 368 W C 0.624 177.122 176.519 -0.034 0.000 0.966 368 W CA 1.241 58.554 57.345 -0.053 0.000 1.579 368 W CB -0.418 29.003 29.460 -0.065 0.000 1.662 368 W HN 0.758 nan 8.180 nan 0.000 0.341 369 G N 5.177 113.840 108.800 -0.228 0.000 2.655 369 G HA2 -0.233 3.727 3.960 0.000 0.000 0.680 369 G HA3 -0.233 3.727 3.960 0.000 0.000 0.680 369 G C -1.337 173.500 174.900 -0.105 0.000 1.302 369 G CA -0.477 44.461 45.100 -0.270 0.000 0.872 369 G HN 0.278 nan 8.290 nan 0.000 0.540 370 P HA 0.042 nan 4.420 nan 0.000 0.226 370 P C 0.476 177.765 177.300 -0.018 0.000 1.153 370 P CA 1.528 64.599 63.100 -0.050 0.000 0.777 370 P CB 0.159 31.826 31.700 -0.055 0.000 0.794 371 E N -1.034 119.164 120.200 -0.002 0.000 3.729 371 E HA 0.366 4.716 4.350 0.000 0.000 0.195 371 E C 1.001 177.632 176.600 0.051 0.000 1.005 371 E CA -0.285 56.127 56.400 0.021 0.000 1.356 371 E CB 0.584 30.299 29.700 0.025 0.000 1.138 371 E HN 0.008 nan 8.360 nan 0.000 0.450 372 A N 1.399 124.258 122.820 0.067 0.000 1.883 372 A HA -0.188 4.132 4.320 0.000 0.000 0.217 372 A C 1.262 178.881 177.584 0.057 0.000 1.186 372 A CA 1.200 53.304 52.037 0.111 0.000 0.624 372 A CB -0.043 19.022 19.000 0.107 0.000 0.822 372 A HN 0.332 nan 8.150 nan 0.000 0.444 373 E N -0.125 120.093 120.200 0.030 0.000 2.200 373 E HA 0.545 4.896 4.350 0.000 0.000 0.283 373 E C -1.351 175.239 176.600 -0.016 0.000 1.015 373 E CA -0.375 56.030 56.400 0.009 0.000 0.819 373 E CB 0.457 30.167 29.700 0.018 0.000 1.081 373 E HN 0.421 nan 8.360 nan 0.000 0.397 374 L N 5.210 126.404 121.223 -0.047 0.000 2.341 374 L HA 0.516 4.856 4.340 0.000 0.000 0.267 374 L C -2.342 174.456 176.870 -0.120 0.000 1.009 374 L CA -2.662 52.124 54.840 -0.091 0.000 0.819 374 L CB 2.055 44.035 42.059 -0.132 0.000 1.323 374 L HN 0.480 nan 8.230 nan 0.000 0.425 375 P HA 0.027 nan 4.420 nan 0.000 0.271 375 P C 0.692 177.816 177.300 -0.294 0.000 1.220 375 P CA -0.299 62.689 63.100 -0.186 0.000 0.768 375 P CB 0.756 32.315 31.700 -0.235 0.000 0.848 376 L N 4.691 125.802 121.223 -0.186 0.000 2.051 376 L HA -0.240 4.101 4.340 0.000 0.000 0.214 376 L C 2.241 178.756 176.870 -0.591 0.000 1.076 376 L CA 2.287 56.965 54.840 -0.269 0.000 0.758 376 L CB -0.985 41.017 42.059 -0.097 0.000 0.890 376 L HN 0.668 nan 8.230 nan 0.000 0.433 377 H N -1.211 117.608 119.070 -0.418 0.000 2.422 377 H HA -0.165 4.391 4.556 0.000 0.000 0.298 377 H C 1.685 176.801 175.328 -0.353 0.000 1.098 377 H CA 1.702 57.442 56.048 -0.514 0.000 1.315 377 H CB -0.769 29.022 29.762 0.049 0.000 1.382 377 H HN 0.463 nan 8.280 nan 0.000 0.523 378 T N -1.013 113.114 114.554 -0.711 0.000 3.215 378 T HA 0.158 4.508 4.350 0.000 0.000 0.254 378 T C 1.622 176.162 174.700 -0.267 0.000 1.149 378 T CA 0.019 61.905 62.100 -0.356 0.000 1.042 378 T CB -0.434 68.193 68.868 -0.401 0.000 0.966 378 T HN 0.365 nan 8.240 nan 0.000 0.534 379 L N -0.674 120.308 121.223 -0.401 0.000 2.731 379 L HA 0.465 4.805 4.340 0.000 0.000 0.240 379 L C -0.148 176.636 176.870 -0.144 0.000 1.120 379 L CA -0.615 54.048 54.840 -0.296 0.000 0.913 379 L CB 0.069 41.949 42.059 -0.299 0.000 1.213 379 L HN 0.155 nan 8.230 nan 0.000 0.515 380 F N 0.669 120.643 119.950 0.041 0.000 2.578 380 F HA 0.070 4.597 4.527 0.000 0.000 0.381 380 F C 0.806 176.714 175.800 0.179 0.000 1.069 380 F CA -0.444 57.610 58.000 0.090 0.000 1.231 380 F CB -0.725 38.434 39.000 0.265 0.000 1.086 380 F HN -0.039 nan 8.300 nan 0.000 0.564 381 F N -0.073 119.990 119.950 0.188 0.000 3.069 381 F HA -0.332 4.195 4.527 0.001 0.000 0.285 381 F C 0.748 176.552 175.800 0.006 0.000 0.827 381 F CA 0.468 58.521 58.000 0.089 0.000 1.108 381 F CB -1.429 37.664 39.000 0.155 0.000 1.252 381 F HN 0.531 nan 8.300 nan 0.000 0.483 382 N N 0.992 119.717 118.700 0.043 0.000 2.420 382 N HA 0.224 4.964 4.740 0.000 0.000 0.249 382 N C 0.854 176.249 175.510 -0.191 0.000 1.033 382 N CA 0.806 53.810 53.050 -0.077 0.000 0.944 382 N CB 1.016 39.380 38.487 -0.206 0.000 1.113 382 N HN 0.260 nan 8.380 nan 0.000 0.502 383 T N -0.026 114.431 114.554 -0.161 0.000 2.985 383 T HA 0.053 4.403 4.350 0.000 0.000 0.254 383 T C 1.667 176.258 174.700 -0.183 0.000 1.021 383 T CA -0.486 61.451 62.100 -0.271 0.000 0.957 383 T CB -0.281 68.337 68.868 -0.417 0.000 1.047 383 T HN 0.660 nan 8.240 nan 0.000 0.511 384 W N 2.189 123.405 121.300 -0.140 0.000 2.467 384 W HA 0.139 4.799 4.660 0.000 0.000 0.275 384 W C 1.163 177.645 176.519 -0.063 0.000 1.239 384 W CA -0.158 57.128 57.345 -0.100 0.000 1.266 384 W CB -0.693 28.713 29.460 -0.091 0.000 1.112 384 W HN 0.035 nan 8.180 nan 0.000 0.576 385 R N 1.106 121.154 120.500 -0.753 0.000 2.328 385 R HA 0.014 4.354 4.340 0.000 0.000 0.207 385 R C 1.796 177.933 176.300 -0.272 0.000 1.056 385 R CA 0.804 56.498 56.100 -0.676 0.000 1.016 385 R CB -0.432 29.378 30.300 -0.817 0.000 0.872 385 R HN 0.437 nan 8.270 nan 0.000 0.471 386 I N -0.810 119.640 120.570 -0.199 0.000 2.899 386 I HA -0.046 4.124 4.170 0.000 0.000 0.257 386 I C 1.960 178.045 176.117 -0.053 0.000 1.115 386 I CA 0.468 61.695 61.300 -0.121 0.000 1.451 386 I CB 0.002 37.917 38.000 -0.142 0.000 1.251 386 I HN -0.070 nan 8.210 nan 0.000 0.456 387 I N 0.577 121.095 120.570 -0.087 0.000 2.617 387 I HA -0.147 4.024 4.170 0.000 0.000 0.256 387 I C 1.207 177.416 176.117 0.153 0.000 1.167 387 I CA 1.295 62.605 61.300 0.017 0.000 1.469 387 I CB 0.072 38.078 38.000 0.009 0.000 1.098 387 I HN 0.075 nan 8.210 nan 0.000 0.436 388 K N -0.149 120.354 120.400 0.172 0.000 2.618 388 K HA 0.110 4.430 4.320 0.000 0.000 0.207 388 K C -0.392 176.358 176.600 0.250 0.000 1.058 388 K CA 0.094 56.517 56.287 0.226 0.000 1.086 388 K CB 0.523 33.191 32.500 0.279 0.000 0.827 388 K HN -0.082 nan 8.250 nan 0.000 0.481 389 D N -0.638 119.879 120.400 0.196 0.000 3.120 389 D HA 0.142 4.782 4.640 0.000 0.000 0.331 389 D C 0.488 176.911 176.300 0.206 0.000 1.595 389 D CA 0.618 54.773 54.000 0.259 0.000 0.771 389 D CB 0.457 41.357 40.800 0.167 0.000 1.274 389 D HN 0.239 nan 8.370 nan 0.000 0.503 390 G N -0.606 108.275 108.800 0.136 0.000 2.380 390 G HA2 0.271 4.231 3.960 0.000 0.000 0.197 390 G HA3 0.271 4.231 3.960 0.000 0.000 0.197 390 G C 0.998 175.827 174.900 -0.119 0.000 1.001 390 G CA 0.485 45.467 45.100 -0.196 0.000 0.668 390 G HN 1.255 nan 8.290 nan 0.000 0.483 391 G N -0.129 108.672 108.800 0.003 0.000 2.660 391 G HA2 0.051 4.011 3.960 0.000 0.000 0.215 391 G HA3 0.051 4.011 3.960 0.000 0.000 0.215 391 G C 0.959 175.880 174.900 0.036 0.000 1.345 391 G CA 0.626 45.800 45.100 0.123 0.000 0.877 391 G HN 1.700 nan 8.290 nan 0.000 0.549 392 I N -2.689 117.929 120.570 0.080 0.000 3.462 392 I HA 0.237 4.407 4.170 0.000 0.000 0.290 392 I C 1.662 177.740 176.117 -0.065 0.000 1.236 392 I CA 1.532 62.840 61.300 0.014 0.000 1.418 392 I CB -0.190 37.850 38.000 0.068 0.000 1.102 392 I HN 0.329 nan 8.210 nan 0.000 0.441 393 D N 2.856 123.216 120.400 -0.067 0.000 2.154 393 D HA -0.162 4.479 4.640 0.000 0.000 0.190 393 D C -0.381 175.792 176.300 -0.212 0.000 1.003 393 D CA 2.035 55.968 54.000 -0.112 0.000 0.849 393 D CB -1.674 39.075 40.800 -0.085 0.000 0.942 393 D HN 0.322 nan 8.370 nan 0.000 0.446 394 P HA -0.118 nan 4.420 nan 0.000 0.214 394 P C 1.762 178.898 177.300 -0.273 0.000 1.163 394 P CA 0.952 63.782 63.100 -0.449 0.000 0.889 394 P CB -0.033 31.208 31.700 -0.766 0.000 0.790 395 L N -1.416 119.683 121.223 -0.206 0.000 2.046 395 L HA -0.155 4.186 4.340 0.000 0.000 0.208 395 L C 2.394 179.233 176.870 -0.052 0.000 1.077 395 L CA 1.252 56.025 54.840 -0.112 0.000 0.747 395 L CB -1.110 40.899 42.059 -0.084 0.000 0.896 395 L HN -0.138 nan 8.230 nan 0.000 0.432 396 V N -0.112 119.775 119.914 -0.045 0.000 2.392 396 V HA -0.286 3.835 4.120 0.000 0.000 0.249 396 V C 2.565 178.684 176.094 0.041 0.000 1.059 396 V CA 1.770 64.083 62.300 0.021 0.000 1.051 396 V CB -0.637 31.193 31.823 0.013 0.000 0.658 396 V HN 0.433 nan 8.190 nan 0.000 0.455 397 R N -0.068 120.392 120.500 -0.066 0.000 2.148 397 R HA -0.018 4.322 4.340 0.000 0.000 0.223 397 R C 2.426 178.752 176.300 0.044 0.000 1.088 397 R CA 1.046 57.093 56.100 -0.090 0.000 0.985 397 R CB -0.606 29.307 30.300 -0.646 0.000 0.880 397 R HN 0.591 nan 8.270 nan 0.000 0.451 398 G N 1.629 110.427 108.800 -0.004 0.000 2.433 398 G HA2 -0.230 3.730 3.960 0.000 0.000 0.216 398 G HA3 -0.230 3.730 3.960 0.000 0.000 0.216 398 G C 1.444 176.409 174.900 0.109 0.000 1.186 398 G CA 0.379 45.505 45.100 0.043 0.000 0.779 398 G HN 0.109 nan 8.290 nan 0.000 0.543 399 L N -0.010 121.273 121.223 0.100 0.000 2.043 399 L HA -0.111 4.230 4.340 0.000 0.000 0.212 399 L C 2.915 179.880 176.870 0.158 0.000 1.075 399 L CA 0.838 55.748 54.840 0.117 0.000 0.752 399 L CB -0.385 41.736 42.059 0.105 0.000 0.891 399 L HN 0.217 nan 8.230 nan 0.000 0.432 400 L N -1.109 120.256 121.223 0.235 0.000 2.095 400 L HA -0.073 4.268 4.340 0.000 0.000 0.204 400 L C 2.747 179.852 176.870 0.390 0.000 1.080 400 L CA 0.992 56.016 54.840 0.306 0.000 0.759 400 L CB -0.655 41.685 42.059 0.468 0.000 0.914 400 L HN 0.183 nan 8.230 nan 0.000 0.439 401 A N -0.810 122.274 122.820 0.440 0.000 1.903 401 A HA 0.031 4.351 4.320 0.000 0.000 0.213 401 A C 1.248 178.981 177.584 0.248 0.000 1.185 401 A CA 0.595 52.869 52.037 0.394 0.000 0.628 401 A CB 0.008 19.242 19.000 0.390 0.000 0.830 401 A HN 0.042 nan 8.150 nan 0.000 0.446 402 K N 1.184 121.700 120.400 0.194 0.000 2.149 402 K HA 0.248 4.568 4.320 0.000 0.000 0.245 402 K C -0.680 176.009 176.600 0.148 0.000 1.024 402 K CA -0.302 56.075 56.287 0.149 0.000 0.899 402 K CB 0.114 32.685 32.500 0.118 0.000 1.038 402 K HN 0.255 nan 8.250 nan 0.000 0.496 403 N N -0.327 118.454 118.700 0.135 0.000 2.443 403 N HA 0.243 4.983 4.740 0.000 0.000 0.293 403 N C -0.430 175.174 175.510 0.156 0.000 1.159 403 N CA -0.315 52.820 53.050 0.142 0.000 0.904 403 N CB 1.370 39.931 38.487 0.123 0.000 1.214 403 N HN 0.300 nan 8.380 nan 0.000 0.513 404 S N 0.184 116.000 115.700 0.193 0.000 2.655 404 S HA 0.195 4.665 4.470 0.000 0.000 0.265 404 S C 0.379 175.094 174.600 0.191 0.000 1.240 404 S CA -0.507 57.825 58.200 0.221 0.000 0.986 404 S CB 0.995 64.398 63.200 0.339 0.000 0.985 404 S HN 0.436 nan 8.310 nan 0.000 0.562 405 K N 0.560 121.076 120.400 0.193 0.000 2.118 405 K HA 0.441 4.761 4.320 0.000 0.000 0.267 405 K C -1.112 175.593 176.600 0.175 0.000 0.991 405 K CA -0.631 55.759 56.287 0.171 0.000 0.916 405 K CB 0.546 33.155 32.500 0.182 0.000 1.041 405 K HN 0.360 nan 8.250 nan 0.000 0.455 406 L N 4.538 125.838 121.223 0.129 0.000 2.295 406 L HA 0.306 4.646 4.340 0.000 0.000 0.285 406 L C -0.298 176.623 176.870 0.085 0.000 1.035 406 L CA -0.407 54.502 54.840 0.116 0.000 0.806 406 L CB 1.324 43.429 42.059 0.077 0.000 1.214 406 L HN 0.760 nan 8.230 nan 0.000 0.426 407 M N 4.990 124.652 119.600 0.104 0.000 2.248 407 M HA 0.107 4.587 4.480 0.000 0.000 0.345 407 M C -0.661 175.650 176.300 0.018 0.000 1.243 407 M CA 0.792 56.136 55.300 0.072 0.000 1.090 407 M CB -0.251 32.401 32.600 0.087 0.000 1.683 407 M HN 0.776 nan 8.290 nan 0.000 0.450 408 N N 3.408 122.098 118.700 -0.017 0.000 2.478 408 N HA 0.168 4.908 4.740 0.000 0.000 0.291 408 N C -0.005 175.474 175.510 -0.053 0.000 1.090 408 N CA -0.218 52.802 53.050 -0.050 0.000 0.911 408 N CB 1.311 39.733 38.487 -0.107 0.000 1.546 408 N HN 0.660 nan 8.380 nan 0.000 0.500 409 Q N 0.955 120.731 119.800 -0.040 0.000 2.248 409 Q HA -0.076 4.265 4.340 0.000 0.000 0.208 409 Q C 0.596 176.577 176.000 -0.031 0.000 0.984 409 Q CA 1.441 57.223 55.803 -0.034 0.000 0.875 409 Q CB 0.171 28.892 28.738 -0.028 0.000 0.910 409 Q HN 0.534 nan 8.270 nan 0.000 0.433 410 N N 0.126 118.797 118.700 -0.048 0.000 2.373 410 N HA 0.029 4.769 4.740 0.000 0.000 0.181 410 N C -0.264 175.189 175.510 -0.095 0.000 1.082 410 N CA 0.558 53.581 53.050 -0.044 0.000 0.885 410 N CB 0.577 39.039 38.487 -0.042 0.000 0.977 410 N HN 0.104 nan 8.380 nan 0.000 0.462 411 K N 0.562 120.834 120.400 -0.214 0.000 2.814 411 K HA 0.359 4.680 4.320 0.000 0.000 0.205 411 K C 0.461 176.900 176.600 -0.269 0.000 1.093 411 K CA -0.080 55.857 56.287 -0.584 0.000 1.035 411 K CB 1.458 33.249 32.500 -1.182 0.000 1.220 411 K HN -0.110 nan 8.250 nan 0.000 0.576 412 M N 0.129 119.767 119.600 0.064 0.000 2.100 412 M HA 0.038 4.518 4.480 0.000 0.000 0.254 412 M C 0.637 177.106 176.300 0.281 0.000 1.106 412 M CA 1.166 56.551 55.300 0.143 0.000 1.127 412 M CB 0.209 32.884 32.600 0.125 0.000 1.263 412 M HN 0.060 nan 8.290 nan 0.000 0.427 413 V N 0.909 121.049 119.914 0.377 0.000 2.384 413 V HA 0.169 4.289 4.120 0.000 0.000 0.287 413 V C 0.190 176.489 176.094 0.343 0.000 1.020 413 V CA -0.618 61.903 62.300 0.368 0.000 0.850 413 V CB 1.350 33.388 31.823 0.358 0.000 0.987 413 V HN 0.378 nan 8.190 nan 0.000 0.436 414 T N 3.338 118.079 114.554 0.312 0.000 2.855 414 T HA 0.001 4.351 4.350 0.000 0.000 0.322 414 T C 1.435 176.147 174.700 0.021 0.000 1.088 414 T CA 0.484 62.644 62.100 0.099 0.000 1.104 414 T CB 0.748 69.710 68.868 0.155 0.000 0.996 414 T HN 0.814 nan 8.240 nan 0.000 0.549 415 S N 2.605 118.240 115.700 -0.108 0.000 2.447 415 S HA -0.052 4.418 4.470 0.000 0.000 0.233 415 S C 1.891 176.530 174.600 0.065 0.000 1.006 415 S CA 0.405 58.580 58.200 -0.042 0.000 0.957 415 S CB -0.102 63.032 63.200 -0.110 0.000 0.773 415 S HN 0.692 nan 8.310 nan 0.000 0.507 416 E N 1.186 121.455 120.200 0.115 0.000 2.204 416 E HA -0.018 4.333 4.350 0.000 0.000 0.195 416 E C 1.742 178.537 176.600 0.326 0.000 0.990 416 E CA 0.730 57.263 56.400 0.221 0.000 0.821 416 E CB -0.153 29.669 29.700 0.202 0.000 0.750 416 E HN 0.486 nan 8.360 nan 0.000 0.477 417 L N -0.611 120.759 121.223 0.244 0.000 2.425 417 L HA 0.121 4.462 4.340 0.000 0.000 0.215 417 L C 2.555 179.504 176.870 0.131 0.000 1.065 417 L CA 0.139 55.104 54.840 0.207 0.000 0.842 417 L CB 0.075 42.224 42.059 0.151 0.000 1.033 417 L HN -0.059 nan 8.230 nan 0.000 0.474 418 R N -0.270 120.302 120.500 0.119 0.000 2.127 418 R HA 0.000 4.340 4.340 0.000 0.000 0.217 418 R C 1.529 177.880 176.300 0.085 0.000 1.074 418 R CA 0.872 57.032 56.100 0.100 0.000 0.991 418 R CB 0.317 30.673 30.300 0.094 0.000 0.895 418 R HN 0.318 nan 8.270 nan 0.000 0.450 419 N N -0.266 118.478 118.700 0.074 0.000 2.460 419 N HA 0.035 4.775 4.740 0.000 0.000 0.193 419 N C -0.096 175.461 175.510 0.079 0.000 1.080 419 N CA 0.585 53.663 53.050 0.046 0.000 0.869 419 N CB 0.755 39.239 38.487 -0.006 0.000 1.201 419 N HN 0.030 nan 8.380 nan 0.000 0.457 420 K N 1.084 121.564 120.400 0.134 0.000 2.981 420 K HA 0.238 4.558 4.320 0.000 0.000 0.213 420 K C -0.484 176.364 176.600 0.413 0.000 1.154 420 K CA -0.345 56.066 56.287 0.205 0.000 1.111 420 K CB 0.741 33.268 32.500 0.044 0.000 0.975 420 K HN -0.049 nan 8.250 nan 0.000 0.462 421 L N 0.975 122.400 121.223 0.337 0.000 2.380 421 L HA 0.342 4.682 4.340 0.000 0.000 0.273 421 L C -0.561 176.472 176.870 0.272 0.000 1.138 421 L CA -0.224 54.757 54.840 0.234 0.000 0.832 421 L CB 0.252 42.328 42.059 0.028 0.000 1.124 421 L HN 0.074 nan 8.230 nan 0.000 0.454 422 F N 4.288 124.226 119.950 -0.020 0.000 2.399 422 F HA 0.495 5.022 4.527 0.001 0.000 0.334 422 F C -0.269 175.433 175.800 -0.164 0.000 1.097 422 F CA -0.194 57.765 58.000 -0.068 0.000 1.076 422 F CB 1.019 39.943 39.000 -0.126 0.000 1.162 422 F HN 0.476 nan 8.300 nan 0.000 0.495 423 Q N 7.035 126.295 119.800 -0.900 0.000 2.340 423 Q HA 0.259 4.600 4.340 0.000 0.000 0.268 423 Q C -2.010 173.330 176.000 -1.099 0.000 1.031 423 Q CA -1.824 53.478 55.803 -0.834 0.000 0.804 423 Q CB 2.199 30.357 28.738 -0.967 0.000 1.286 423 Q HN 0.429 nan 8.270 nan 0.000 0.448 424 P HA -0.144 nan 4.420 nan 0.000 0.228 424 P C 0.693 177.616 177.300 -0.629 0.000 1.151 424 P CA 1.167 63.755 63.100 -0.854 0.000 0.770 424 P CB 0.431 31.654 31.700 -0.795 0.000 0.786 425 T N -1.409 112.741 114.554 -0.673 0.000 2.781 425 T HA -0.022 4.328 4.350 0.000 0.000 0.252 425 T C 1.271 175.564 174.700 -0.678 0.000 1.039 425 T CA 0.806 62.502 62.100 -0.673 0.000 1.147 425 T CB -0.702 67.629 68.868 -0.895 0.000 0.865 425 T HN 0.235 nan 8.240 nan 0.000 0.423 426 H N 1.178 120.018 119.070 -0.383 0.000 2.211 426 H HA 0.380 4.936 4.556 -0.000 0.000 0.327 426 H C 0.982 176.020 175.328 -0.483 0.000 1.722 426 H CA 0.120 55.996 56.048 -0.288 0.000 1.437 426 H CB 0.557 30.312 29.762 -0.012 0.000 1.716 426 H HN 0.194 nan 8.280 nan 0.000 0.618 427 K N 0.061 120.398 120.400 -0.106 0.000 2.474 427 K HA 0.150 4.470 4.320 0.000 0.000 0.204 427 K C 0.381 177.260 176.600 0.465 0.000 1.220 427 K CA 0.096 56.363 56.287 -0.034 0.000 0.966 427 K CB 0.968 33.482 32.500 0.024 0.000 1.049 427 K HN 0.312 nan 8.250 nan 0.000 0.554 428 V N 0.117 120.230 119.914 0.331 0.000 2.785 428 V HA 0.253 4.373 4.120 0.000 0.000 0.300 428 V C -0.268 176.170 176.094 0.572 0.000 1.062 428 V CA -0.455 62.096 62.300 0.420 0.000 1.029 428 V CB 0.906 32.837 31.823 0.179 0.000 1.024 428 V HN 0.166 nan 8.190 nan 0.000 0.477 429 H N 3.032 122.358 119.070 0.427 0.000 2.557 429 H HA 0.584 5.140 4.556 0.000 0.000 0.236 429 H C 0.922 176.397 175.328 0.245 0.000 1.676 429 H CA 0.275 56.599 56.048 0.460 0.000 1.197 429 H CB 0.376 30.356 29.762 0.364 0.000 1.604 429 H HN 0.997 nan 8.280 nan 0.000 0.509 430 G N -0.007 108.951 108.800 0.263 0.000 4.299 430 G HA2 0.099 4.059 3.960 0.000 0.000 0.290 430 G HA3 0.099 4.059 3.960 0.000 0.000 0.290 430 G C -0.231 174.662 174.900 -0.012 0.000 1.019 430 G CA -0.191 44.955 45.100 0.076 0.000 0.790 430 G HN 0.150 nan 8.290 nan 0.000 0.452 431 F N 0.573 120.563 119.950 0.065 0.000 2.352 431 F HA 0.515 5.042 4.527 -0.000 0.000 0.304 431 F C 0.256 176.081 175.800 0.042 0.000 1.215 431 F CA -0.470 57.551 58.000 0.036 0.000 1.121 431 F CB 1.125 40.115 39.000 -0.016 0.000 1.329 431 F HN -0.064 nan 8.300 nan 0.000 0.528 432 D N 1.206 121.767 120.400 0.268 0.000 2.421 432 D HA 0.148 4.788 4.640 0.000 0.000 0.254 432 D C 0.518 176.869 176.300 0.085 0.000 1.238 432 D CA -0.391 53.698 54.000 0.148 0.000 0.919 432 D CB 1.226 42.104 40.800 0.130 0.000 1.152 432 D HN 0.350 nan 8.370 nan 0.000 0.552 433 L N 4.796 126.028 121.223 0.014 0.000 2.013 433 L HA -0.077 4.263 4.340 0.000 0.000 0.212 433 L C 2.080 178.872 176.870 -0.129 0.000 1.073 433 L CA 2.611 57.385 54.840 -0.110 0.000 0.753 433 L CB -0.752 41.171 42.059 -0.225 0.000 0.890 433 L HN 0.526 nan 8.230 nan 0.000 0.432 434 A N -0.863 121.947 122.820 -0.017 0.000 1.940 434 A HA -0.111 4.210 4.320 0.000 0.000 0.219 434 A C 2.417 180.004 177.584 0.005 0.000 1.176 434 A CA 1.921 53.976 52.037 0.030 0.000 0.631 434 A CB -1.065 18.111 19.000 0.294 0.000 0.814 434 A HN 0.588 nan 8.150 nan 0.000 0.446 435 A N -0.371 122.472 122.820 0.039 0.000 1.897 435 A HA 0.044 4.364 4.320 0.000 0.000 0.215 435 A C 1.921 179.492 177.584 -0.021 0.000 1.181 435 A CA 1.487 53.539 52.037 0.025 0.000 0.620 435 A CB -0.535 18.492 19.000 0.044 0.000 0.821 435 A HN 0.367 nan 8.150 nan 0.000 0.443 436 I N 1.210 121.791 120.570 0.019 0.000 2.194 436 I HA -0.300 3.870 4.170 0.000 0.000 0.246 436 I C 2.064 178.215 176.117 0.056 0.000 1.093 436 I CA 1.632 63.000 61.300 0.113 0.000 1.355 436 I CB -0.987 37.071 38.000 0.097 0.000 1.046 436 I HN 0.415 nan 8.210 nan 0.000 0.413 437 N N -0.078 118.524 118.700 -0.164 0.000 2.166 437 N HA -0.139 4.601 4.740 0.000 0.000 0.186 437 N C 1.935 177.364 175.510 -0.135 0.000 1.019 437 N CA 0.863 53.737 53.050 -0.294 0.000 0.856 437 N CB -0.127 37.713 38.487 -1.079 0.000 0.993 437 N HN 0.295 nan 8.380 nan 0.000 0.426 438 L N 0.639 121.818 121.223 -0.074 0.000 2.027 438 L HA -0.169 4.171 4.340 0.000 0.000 0.206 438 L C 2.620 179.480 176.870 -0.017 0.000 1.074 438 L CA 1.044 55.913 54.840 0.049 0.000 0.745 438 L CB -0.359 41.777 42.059 0.129 0.000 0.898 438 L HN 0.149 nan 8.230 nan 0.000 0.433 439 Q N 0.257 119.977 119.800 -0.133 0.000 2.135 439 Q HA -0.255 4.085 4.340 0.000 0.000 0.204 439 Q C 2.188 178.130 176.000 -0.097 0.000 0.981 439 Q CA 1.639 57.235 55.803 -0.345 0.000 0.856 439 Q CB -0.084 28.064 28.738 -0.982 0.000 0.902 439 Q HN 0.104 nan 8.270 nan 0.000 0.425 440 R N -1.111 119.463 120.500 0.123 0.000 2.148 440 R HA -0.018 4.322 4.340 0.000 0.000 0.227 440 R C 1.991 178.355 176.300 0.108 0.000 1.103 440 R CA 1.335 57.669 56.100 0.390 0.000 0.983 440 R CB -0.842 29.736 30.300 0.464 0.000 0.874 440 R HN 0.393 nan 8.270 nan 0.000 0.451 441 C N -0.242 118.927 119.300 -0.219 0.000 2.446 441 C HA 0.015 4.475 4.460 0.000 0.000 0.277 441 C C 2.430 177.335 174.990 -0.142 0.000 1.275 441 C CA 0.863 59.513 59.018 -0.613 0.000 1.727 441 C CB -0.719 26.816 27.740 -0.341 0.000 2.010 441 C HN 0.517 nan 8.230 nan 0.000 0.486 442 R N 0.480 121.028 120.500 0.080 0.000 2.092 442 R HA -0.116 4.224 4.340 0.000 0.000 0.231 442 R C 1.849 178.340 176.300 0.318 0.000 1.119 442 R CA 1.607 57.846 56.100 0.232 0.000 0.970 442 R CB -0.435 30.063 30.300 0.330 0.000 0.864 442 R HN 0.501 nan 8.270 nan 0.000 0.440 443 D N 0.241 120.888 120.400 0.411 0.000 2.117 443 D HA -0.161 4.479 4.640 0.000 0.000 0.197 443 D C 1.396 177.974 176.300 0.463 0.000 0.987 443 D CA 1.288 55.583 54.000 0.491 0.000 0.829 443 D CB -0.025 41.179 40.800 0.674 0.000 0.961 443 D HN 0.387 nan 8.370 nan 0.000 0.460 444 H N -1.278 117.952 119.070 0.267 0.000 2.547 444 H HA 0.197 4.754 4.556 0.000 0.000 0.266 444 H C 1.110 176.482 175.328 0.074 0.000 0.988 444 H CA 0.413 56.607 56.048 0.244 0.000 1.147 444 H CB 0.373 30.344 29.762 0.348 0.000 1.365 444 H HN 0.285 nan 8.280 nan 0.000 0.589 445 G N 1.539 110.371 108.800 0.054 0.000 2.198 445 G HA2 -0.272 3.688 3.960 0.000 0.000 0.257 445 G HA3 -0.272 3.688 3.960 0.000 0.000 0.257 445 G C 0.363 175.135 174.900 -0.213 0.000 1.042 445 G CA -0.046 44.770 45.100 -0.475 0.000 0.791 445 G HN 0.124 nan 8.290 nan 0.000 0.502 446 M N -0.206 119.381 119.600 -0.022 0.000 2.250 446 M HA 0.204 4.684 4.480 0.000 0.000 0.325 446 M C -1.773 174.612 176.300 0.141 0.000 1.084 446 M CA -1.122 54.236 55.300 0.096 0.000 1.161 446 M CB -0.299 32.310 32.600 0.015 0.000 1.481 446 M HN 0.015 nan 8.290 nan 0.000 0.449 447 P HA 0.320 nan 4.420 nan 0.000 0.280 447 P C -0.056 177.359 177.300 0.192 0.000 1.272 447 P CA -0.435 62.707 63.100 0.070 0.000 0.819 447 P CB 0.620 32.172 31.700 -0.248 0.000 1.122 448 G N -0.577 108.280 108.800 0.095 0.000 2.683 448 G HA2 -0.067 3.893 3.960 0.000 0.000 0.260 448 G HA3 -0.067 3.893 3.960 0.000 0.000 0.260 448 G C 0.334 175.404 174.900 0.282 0.000 1.238 448 G CA 0.024 45.224 45.100 0.166 0.000 0.934 448 G HN 0.452 nan 8.290 nan 0.000 0.534 449 Y N 0.470 120.856 120.300 0.142 0.000 2.040 449 Y HA -0.271 4.279 4.550 0.000 0.000 0.275 449 Y C 2.750 178.752 175.900 0.170 0.000 1.171 449 Y CA 2.658 60.861 58.100 0.173 0.000 1.123 449 Y CB -0.227 38.251 38.460 0.030 0.000 0.963 449 Y HN 0.457 nan 8.280 nan 0.000 0.493 450 N N -0.157 118.576 118.700 0.054 0.000 2.149 450 N HA -0.172 4.568 4.740 0.000 0.000 0.188 450 N C 1.949 177.409 175.510 -0.083 0.000 1.019 450 N CA 1.541 54.554 53.050 -0.062 0.000 0.857 450 N CB -0.484 38.019 38.487 0.026 0.000 0.997 450 N HN 0.378 nan 8.380 nan 0.000 0.426 451 S N -0.084 115.534 115.700 -0.136 0.000 2.383 451 S HA -0.126 4.344 4.470 0.000 0.000 0.229 451 S C 1.656 176.066 174.600 -0.318 0.000 1.030 451 S CA 0.958 58.979 58.200 -0.299 0.000 1.002 451 S CB -0.342 62.534 63.200 -0.540 0.000 0.829 451 S HN 0.523 nan 8.310 nan 0.000 0.467 452 W N 1.499 122.806 121.300 0.012 0.000 2.453 452 W HA 0.135 4.795 4.660 -0.000 0.000 0.289 452 W C 2.548 179.097 176.519 0.051 0.000 1.215 452 W CA -0.324 57.058 57.345 0.062 0.000 1.297 452 W CB -0.069 29.394 29.460 0.005 0.000 1.113 452 W HN 0.051 nan 8.180 nan 0.000 0.551 453 R N 0.277 120.814 120.500 0.063 0.000 2.081 453 R HA -0.073 4.267 4.340 0.000 0.000 0.235 453 R C 2.309 178.644 176.300 0.059 0.000 1.131 453 R CA 1.544 57.627 56.100 -0.027 0.000 0.960 453 R CB -1.508 28.669 30.300 -0.204 0.000 0.856 453 R HN 0.345 nan 8.270 nan 0.000 0.436 454 G N 0.735 109.562 108.800 0.046 0.000 2.453 454 G HA2 -0.304 3.656 3.960 0.000 0.000 0.215 454 G HA3 -0.304 3.656 3.960 0.000 0.000 0.215 454 G C 1.360 176.324 174.900 0.108 0.000 1.201 454 G CA 0.550 45.679 45.100 0.049 0.000 0.784 454 G HN 0.289 nan 8.290 nan 0.000 0.545 455 F N 1.341 121.299 119.950 0.013 0.000 2.111 455 F HA -0.219 4.309 4.527 0.000 0.000 0.300 455 F C 2.235 178.115 175.800 0.134 0.000 1.088 455 F CA 1.536 59.582 58.000 0.077 0.000 1.243 455 F CB -0.408 38.699 39.000 0.178 0.000 0.996 455 F HN 0.172 nan 8.300 nan 0.000 0.483 456 c N 1.005 119.721 118.600 0.193 0.000 2.613 456 c HA 0.387 4.957 4.570 0.000 0.000 0.273 456 c C 1.627 175.775 174.090 0.097 0.000 1.304 456 c CA 0.539 56.930 56.329 0.104 0.000 1.702 456 c CB -1.588 41.054 42.510 0.220 0.000 1.792 456 c HN 0.907 nan 8.230 nan 0.000 0.588 457 G N 1.289 110.114 108.800 0.042 0.000 2.295 457 G HA2 -0.228 3.732 3.960 0.000 0.000 0.287 457 G HA3 -0.228 3.732 3.960 0.000 0.000 0.287 457 G C -0.233 174.696 174.900 0.048 0.000 1.055 457 G CA 0.109 45.227 45.100 0.031 0.000 0.922 457 G HN 0.555 nan 8.290 nan 0.000 0.503 458 L N -0.021 121.233 121.223 0.051 0.000 2.303 458 L HA 0.696 5.036 4.340 0.000 0.000 0.266 458 L C 1.389 178.270 176.870 0.018 0.000 1.011 458 L CA -0.626 54.238 54.840 0.041 0.000 0.818 458 L CB 1.703 43.791 42.059 0.047 0.000 1.326 458 L HN 0.413 nan 8.230 nan 0.000 0.435 459 S N 0.380 116.092 115.700 0.020 0.000 2.572 459 S HA 0.109 4.579 4.470 0.000 0.000 0.267 459 S C -0.335 174.270 174.600 0.009 0.000 1.361 459 S CA -0.405 57.806 58.200 0.019 0.000 1.009 459 S CB 0.541 63.759 63.200 0.029 0.000 0.888 459 S HN 0.628 nan 8.310 nan 0.000 0.553 460 Q N 1.543 121.354 119.800 0.018 0.000 2.558 460 Q HA 0.342 4.682 4.340 0.000 0.000 0.252 460 Q C -2.589 173.443 176.000 0.053 0.000 1.015 460 Q CA -1.871 53.945 55.803 0.022 0.000 0.720 460 Q CB 1.549 30.292 28.738 0.009 0.000 1.215 460 Q HN 0.602 nan 8.270 nan 0.000 0.500 461 P HA -0.024 nan 4.420 nan 0.000 0.264 461 P C -0.270 177.082 177.300 0.087 0.000 1.193 461 P CA 0.010 63.165 63.100 0.092 0.000 0.763 461 P CB 1.082 32.857 31.700 0.125 0.000 0.810 462 K N 0.719 121.158 120.400 0.064 0.000 2.440 462 K HA 0.144 4.464 4.320 0.000 0.000 0.207 462 K C 0.722 177.353 176.600 0.051 0.000 1.112 462 K CA 0.382 56.706 56.287 0.061 0.000 1.036 462 K CB 0.695 33.227 32.500 0.052 0.000 0.935 462 K HN 0.592 nan 8.250 nan 0.000 0.564 463 T N -2.086 112.495 114.554 0.044 0.000 2.893 463 T HA 0.319 4.669 4.350 0.000 0.000 0.293 463 T C 1.069 175.784 174.700 0.026 0.000 1.027 463 T CA -0.831 61.289 62.100 0.033 0.000 0.988 463 T CB 1.913 70.798 68.868 0.030 0.000 1.043 463 T HN -0.097 nan 8.240 nan 0.000 0.461 464 L N 1.301 122.534 121.223 0.016 0.000 1.997 464 L HA -0.257 4.083 4.340 0.000 0.000 0.227 464 L C 2.621 179.499 176.870 0.014 0.000 1.087 464 L CA 2.614 57.460 54.840 0.010 0.000 0.797 464 L CB -0.570 41.491 42.059 0.004 0.000 0.902 464 L HN 0.956 nan 8.230 nan 0.000 0.441 465 K N -0.267 120.142 120.400 0.015 0.000 2.059 465 K HA -0.197 4.123 4.320 0.000 0.000 0.212 465 K C 1.844 178.457 176.600 0.021 0.000 1.050 465 K CA 2.019 58.316 56.287 0.016 0.000 0.927 465 K CB -0.885 31.624 32.500 0.016 0.000 0.714 465 K HN 0.547 nan 8.250 nan 0.000 0.447 466 G N 0.512 109.329 108.800 0.027 0.000 2.418 466 G HA2 -0.238 3.722 3.960 0.000 0.000 0.217 466 G HA3 -0.238 3.722 3.960 0.000 0.000 0.217 466 G C 1.402 176.329 174.900 0.046 0.000 1.158 466 G CA 0.979 46.101 45.100 0.036 0.000 0.771 466 G HN 0.359 nan 8.290 nan 0.000 0.545 467 L N 0.124 121.373 121.223 0.043 0.000 2.291 467 L HA 0.124 4.465 4.340 0.000 0.000 0.214 467 L C 2.684 179.571 176.870 0.029 0.000 1.120 467 L CA 1.476 56.344 54.840 0.046 0.000 0.799 467 L CB -0.335 41.736 42.059 0.021 0.000 0.925 467 L HN 0.278 nan 8.230 nan 0.000 0.446 468 Q N -0.553 119.260 119.800 0.021 0.000 2.119 468 Q HA -0.136 4.204 4.340 0.000 0.000 0.201 468 Q C 2.283 178.295 176.000 0.020 0.000 0.972 468 Q CA 1.441 57.252 55.803 0.014 0.000 0.847 468 Q CB -0.279 28.466 28.738 0.011 0.000 0.903 468 Q HN 0.700 nan 8.270 nan 0.000 0.433 469 A N 0.286 123.122 122.820 0.027 0.000 1.908 469 A HA -0.152 4.169 4.320 0.000 0.000 0.218 469 A C 2.271 179.876 177.584 0.035 0.000 1.181 469 A CA 1.416 53.470 52.037 0.028 0.000 0.627 469 A CB -0.618 18.400 19.000 0.030 0.000 0.818 469 A HN 0.198 nan 8.150 nan 0.000 0.445 470 V N -0.253 119.691 119.914 0.049 0.000 2.231 470 V HA -0.155 3.965 4.120 0.000 0.000 0.240 470 V C 2.353 178.478 176.094 0.052 0.000 1.039 470 V CA 1.638 63.977 62.300 0.066 0.000 0.998 470 V CB -0.743 31.147 31.823 0.113 0.000 0.639 470 V HN 0.463 nan 8.190 nan 0.000 0.451 471 L N -0.198 121.048 121.223 0.038 0.000 2.265 471 L HA -0.022 4.318 4.340 0.000 0.000 0.215 471 L C 1.224 178.098 176.870 0.008 0.000 1.117 471 L CA 1.054 55.903 54.840 0.014 0.000 0.782 471 L CB -1.616 40.434 42.059 -0.016 0.000 0.914 471 L HN 0.475 nan 8.230 nan 0.000 0.441 472 K N 0.952 121.359 120.400 0.012 0.000 3.244 472 K HA -0.215 4.105 4.320 0.000 0.000 0.270 472 K C 0.045 176.647 176.600 0.002 0.000 1.016 472 K CA 0.415 56.707 56.287 0.008 0.000 0.754 472 K CB -1.606 30.899 32.500 0.009 0.000 1.326 472 K HN 0.394 nan 8.250 nan 0.000 0.465 473 N N 0.585 119.285 118.700 0.000 0.000 2.875 473 N HA 0.085 4.826 4.740 0.000 0.000 0.253 473 N C 0.257 175.766 175.510 -0.002 0.000 1.296 473 N CA -0.431 52.617 53.050 -0.003 0.000 0.816 473 N CB 0.913 39.395 38.487 -0.008 0.000 1.504 473 N HN 0.051 nan 8.380 nan 0.000 0.582 474 K N 0.510 120.910 120.400 0.000 0.000 2.063 474 K HA -0.075 4.245 4.320 0.000 0.000 0.208 474 K C 1.658 178.258 176.600 -0.000 0.000 1.048 474 K CA 1.519 57.806 56.287 0.001 0.000 0.928 474 K CB 0.261 32.763 32.500 0.002 0.000 0.713 474 K HN 0.250 nan 8.250 nan 0.000 0.442 475 V N 1.380 121.294 119.914 0.000 0.000 2.307 475 V HA -0.218 3.903 4.120 0.000 0.000 0.245 475 V C 2.140 178.234 176.094 0.000 0.000 1.045 475 V CA 1.367 63.667 62.300 0.001 0.000 1.024 475 V CB -0.465 31.360 31.823 0.003 0.000 0.651 475 V HN 0.239 nan 8.190 nan 0.000 0.449 476 L N 1.254 122.475 121.223 -0.003 0.000 2.027 476 L HA -0.002 4.338 4.340 0.000 0.000 0.206 476 L C 2.500 179.364 176.870 -0.010 0.000 1.074 476 L CA 2.316 57.152 54.840 -0.006 0.000 0.745 476 L CB -1.182 40.868 42.059 -0.015 0.000 0.898 476 L HN 0.207 nan 8.230 nan 0.000 0.433 477 A N -0.467 122.344 122.820 -0.015 0.000 1.948 477 A HA -0.315 4.005 4.320 0.000 0.000 0.220 477 A C 2.463 180.042 177.584 -0.008 0.000 1.177 477 A CA 2.243 54.269 52.037 -0.018 0.000 0.636 477 A CB -0.667 18.327 19.000 -0.011 0.000 0.815 477 A HN 0.570 nan 8.150 nan 0.000 0.449 478 K N -0.144 120.254 120.400 -0.004 0.000 2.007 478 K HA -0.121 4.199 4.320 0.000 0.000 0.206 478 K C 2.005 178.606 176.600 0.001 0.000 1.047 478 K CA 1.505 57.790 56.287 -0.003 0.000 0.937 478 K CB -0.188 32.310 32.500 -0.003 0.000 0.718 478 K HN 0.444 nan 8.250 nan 0.000 0.438 479 K N 0.443 120.846 120.400 0.006 0.000 2.057 479 K HA -0.156 4.164 4.320 0.000 0.000 0.207 479 K C 2.113 178.732 176.600 0.031 0.000 1.049 479 K CA 1.040 57.334 56.287 0.011 0.000 0.931 479 K CB -0.222 32.288 32.500 0.016 0.000 0.714 479 K HN 0.080 nan 8.250 nan 0.000 0.440 480 L N 1.446 122.696 121.223 0.046 0.000 2.046 480 L HA -0.138 4.202 4.340 0.000 0.000 0.208 480 L C 2.062 179.025 176.870 0.155 0.000 1.077 480 L CA 1.522 56.430 54.840 0.113 0.000 0.747 480 L CB -0.472 41.602 42.059 0.025 0.000 0.896 480 L HN 0.174 nan 8.230 nan 0.000 0.432 481 L N -1.349 119.908 121.223 0.057 0.000 2.095 481 L HA -0.157 4.183 4.340 0.000 0.000 0.204 481 L C 2.079 178.941 176.870 -0.013 0.000 1.080 481 L CA 0.923 55.781 54.840 0.030 0.000 0.759 481 L CB -0.646 41.407 42.059 -0.008 0.000 0.914 481 L HN 0.245 nan 8.230 nan 0.000 0.439 482 D N 0.251 120.637 120.400 -0.023 0.000 2.228 482 D HA -0.183 4.457 4.640 0.000 0.000 0.203 482 D C 2.244 178.496 176.300 -0.079 0.000 0.988 482 D CA 1.250 55.219 54.000 -0.053 0.000 0.864 482 D CB 0.125 40.903 40.800 -0.037 0.000 0.928 482 D HN 0.331 nan 8.370 nan 0.000 0.469 483 L N -1.127 120.052 121.223 -0.074 0.000 2.168 483 L HA -0.075 4.265 4.340 0.000 0.000 0.203 483 L C 1.873 178.583 176.870 -0.266 0.000 1.078 483 L CA 0.573 55.300 54.840 -0.187 0.000 0.780 483 L CB -0.045 41.859 42.059 -0.258 0.000 0.939 483 L HN -0.017 nan 8.230 nan 0.000 0.451 484 Y N -0.360 119.891 120.300 -0.081 0.000 2.510 484 Y HA -0.005 4.545 4.550 0.000 0.000 0.273 484 Y C 1.251 177.046 175.900 -0.176 0.000 1.119 484 Y CA -0.254 57.795 58.100 -0.084 0.000 1.286 484 Y CB 0.339 38.769 38.460 -0.050 0.000 1.061 484 Y HN -0.009 nan 8.280 nan 0.000 0.542 485 K N -0.814 119.501 120.400 -0.141 0.000 3.507 485 K HA -0.263 4.057 4.320 0.000 0.000 0.287 485 K C 0.422 176.870 176.600 -0.253 0.000 0.922 485 K CA 1.679 57.709 56.287 -0.428 0.000 1.216 485 K CB -1.878 29.898 32.500 -1.207 0.000 1.428 485 K HN 0.365 nan 8.250 nan 0.000 0.453 486 T N -0.506 114.020 114.554 -0.046 0.000 3.012 486 T HA 0.436 4.786 4.350 0.000 0.000 0.330 486 T C -2.536 172.198 174.700 0.057 0.000 1.321 486 T CA -1.155 60.972 62.100 0.046 0.000 1.067 486 T CB 2.197 71.156 68.868 0.152 0.000 1.235 486 T HN -0.244 nan 8.240 nan 0.000 0.479 487 P HA -0.055 nan 4.420 nan 0.000 0.218 487 P C 0.689 178.047 177.300 0.097 0.000 1.146 487 P CA 0.947 64.081 63.100 0.058 0.000 0.813 487 P CB 0.151 31.919 31.700 0.113 0.000 0.778 488 D N -1.741 118.716 120.400 0.094 0.000 2.392 488 D HA -0.058 4.583 4.640 0.000 0.000 0.228 488 D C 1.017 177.354 176.300 0.062 0.000 1.003 488 D CA 0.783 54.833 54.000 0.084 0.000 0.917 488 D CB -0.433 40.409 40.800 0.070 0.000 0.890 488 D HN 0.182 nan 8.370 nan 0.000 0.532 489 N N -0.525 118.199 118.700 0.041 0.000 2.210 489 N HA 0.078 4.818 4.740 0.000 0.000 0.203 489 N C -0.118 175.296 175.510 -0.160 0.000 1.175 489 N CA -0.297 52.776 53.050 0.039 0.000 0.894 489 N CB 0.675 39.267 38.487 0.175 0.000 1.041 489 N HN 0.014 nan 8.380 nan 0.000 0.506 490 I N 2.378 122.663 120.570 -0.474 0.000 2.821 490 I HA -0.124 4.047 4.170 0.000 0.000 0.294 490 I C 0.592 176.484 176.117 -0.375 0.000 1.210 490 I CA -0.091 60.613 61.300 -0.995 0.000 1.430 490 I CB -0.032 37.541 38.000 -0.712 0.000 1.356 490 I HN 0.005 nan 8.210 nan 0.000 0.563 491 D N 5.789 126.034 120.400 -0.258 0.000 2.455 491 D HA -0.056 4.584 4.640 0.000 0.000 0.241 491 D C 1.452 177.809 176.300 0.093 0.000 1.138 491 D CA -0.089 53.946 54.000 0.058 0.000 0.877 491 D CB 1.115 42.028 40.800 0.188 0.000 1.187 491 D HN 0.425 nan 8.370 nan 0.000 0.451 492 I N 3.119 123.781 120.570 0.153 0.000 2.113 492 I HA -0.280 3.890 4.170 0.000 0.000 0.242 492 I C 1.959 178.169 176.117 0.155 0.000 1.064 492 I CA 1.551 62.950 61.300 0.165 0.000 1.320 492 I CB -0.345 37.669 38.000 0.024 0.000 1.028 492 I HN 0.655 nan 8.210 nan 0.000 0.406 493 W N 0.980 122.287 121.300 0.013 0.000 2.290 493 W HA -0.314 4.346 4.660 0.000 0.000 0.328 493 W C 2.571 179.133 176.519 0.071 0.000 1.272 493 W CA 2.866 60.252 57.345 0.068 0.000 1.262 493 W CB -0.789 28.734 29.460 0.105 0.000 1.151 493 W HN 0.315 nan 8.180 nan 0.000 0.473 494 I N 0.093 120.661 120.570 -0.004 0.000 2.353 494 I HA -0.070 4.100 4.170 0.000 0.000 0.248 494 I C 2.310 178.283 176.117 -0.239 0.000 1.119 494 I CA 1.857 63.011 61.300 -0.242 0.000 1.417 494 I CB -0.989 37.014 38.000 0.005 0.000 1.078 494 I HN 0.131 nan 8.210 nan 0.000 0.421 495 G N 0.135 108.816 108.800 -0.198 0.000 2.421 495 G HA2 -0.218 3.742 3.960 0.000 0.000 0.216 495 G HA3 -0.218 3.742 3.960 0.000 0.000 0.216 495 G C 1.595 176.426 174.900 -0.116 0.000 1.171 495 G CA 0.696 45.554 45.100 -0.402 0.000 0.775 495 G HN 0.513 nan 8.290 nan 0.000 0.543 496 G N 0.798 109.651 108.800 0.087 0.000 2.421 496 G HA2 -0.234 3.726 3.960 0.000 0.000 0.216 496 G HA3 -0.234 3.726 3.960 0.000 0.000 0.216 496 G C 1.666 176.544 174.900 -0.037 0.000 1.171 496 G CA 1.067 46.230 45.100 0.104 0.000 0.775 496 G HN 0.523 nan 8.290 nan 0.000 0.543 497 N N 0.596 119.185 118.700 -0.185 0.000 2.512 497 N HA 0.154 4.894 4.740 0.000 0.000 0.183 497 N C 2.196 177.611 175.510 -0.159 0.000 1.073 497 N CA 0.637 53.560 53.050 -0.212 0.000 0.911 497 N CB -0.007 38.226 38.487 -0.423 0.000 0.964 497 N HN 0.354 nan 8.380 nan 0.000 0.447 498 A N 0.778 123.505 122.820 -0.155 0.000 2.016 498 A HA -0.032 4.288 4.320 0.000 0.000 0.217 498 A C 0.685 178.231 177.584 -0.062 0.000 1.162 498 A CA 0.529 52.494 52.037 -0.120 0.000 0.662 498 A CB -0.039 18.865 19.000 -0.160 0.000 0.812 498 A HN 0.279 nan 8.150 nan 0.000 0.450 499 E N 0.842 121.029 120.200 -0.022 0.000 2.404 499 E HA 0.244 4.594 4.350 0.000 0.000 0.261 499 E C -2.442 174.159 176.600 0.002 0.000 1.074 499 E CA -1.841 54.571 56.400 0.021 0.000 0.917 499 E CB -0.144 29.603 29.700 0.078 0.000 0.965 499 E HN 0.210 nan 8.360 nan 0.000 0.433 500 P HA 0.007 nan 4.420 nan 0.000 0.271 500 P C -0.507 176.793 177.300 0.001 0.000 1.218 500 P CA 0.135 63.236 63.100 0.002 0.000 0.780 500 P CB 0.495 32.199 31.700 0.007 0.000 0.901 501 M N 1.582 121.179 119.600 -0.005 0.000 2.248 501 M HA 0.091 4.572 4.480 0.000 0.000 0.337 501 M C 0.598 176.894 176.300 -0.006 0.000 1.121 501 M CA -0.168 55.125 55.300 -0.012 0.000 1.155 501 M CB 0.303 32.897 32.600 -0.010 0.000 1.514 501 M HN 0.166 nan 8.290 nan 0.000 0.452 502 V N 0.131 120.040 119.914 -0.009 0.000 3.133 502 V HA 0.273 4.393 4.120 0.000 0.000 0.305 502 V C 0.171 176.260 176.094 -0.008 0.000 1.084 502 V CA -0.904 61.396 62.300 0.001 0.000 1.089 502 V CB 0.852 32.682 31.823 0.013 0.000 1.073 502 V HN 0.887 nan 8.190 nan 0.000 0.477 503 E N 1.730 121.927 120.200 -0.006 0.000 2.452 503 E HA 0.100 4.450 4.350 0.000 0.000 0.261 503 E C 0.493 177.080 176.600 -0.022 0.000 0.987 503 E CA 0.200 56.593 56.400 -0.013 0.000 0.926 503 E CB 0.153 29.846 29.700 -0.011 0.000 0.934 503 E HN 0.705 nan 8.360 nan 0.000 0.452 504 R N 1.002 121.484 120.500 -0.030 0.000 3.701 504 R HA -0.234 4.106 4.340 0.000 0.000 0.276 504 R C 0.171 176.437 176.300 -0.056 0.000 1.150 504 R CA 0.657 56.730 56.100 -0.046 0.000 0.763 504 R CB -2.066 28.206 30.300 -0.046 0.000 1.147 504 R HN 0.604 nan 8.270 nan 0.000 0.489 505 G N -0.917 107.856 108.800 -0.045 0.000 3.013 505 G HA2 0.600 4.560 3.960 0.000 0.000 0.278 505 G HA3 0.600 4.560 3.960 0.000 0.000 0.278 505 G C 0.208 175.087 174.900 -0.034 0.000 1.353 505 G CA -0.685 44.384 45.100 -0.052 0.000 1.043 505 G HN 0.035 nan 8.290 nan 0.000 0.523 506 R N -0.622 119.859 120.500 -0.031 0.000 2.590 506 R HA 0.293 4.633 4.340 0.000 0.000 0.410 506 R C -0.354 175.895 176.300 -0.085 0.000 1.010 506 R CA -0.021 56.090 56.100 0.019 0.000 1.155 506 R CB 0.496 30.929 30.300 0.221 0.000 1.455 506 R HN 0.668 nan 8.270 nan 0.000 0.567 507 V N -4.055 115.765 119.914 -0.157 0.000 3.048 507 V HA 0.847 4.967 4.120 0.000 0.000 0.303 507 V C 0.237 176.263 176.094 -0.113 0.000 1.214 507 V CA -1.062 61.110 62.300 -0.213 0.000 0.984 507 V CB 1.708 33.252 31.823 -0.465 0.000 1.054 507 V HN 0.071 nan 8.190 nan 0.000 0.430 508 G N 1.555 110.313 108.800 -0.071 0.000 2.588 508 G HA2 0.531 4.492 3.960 0.000 0.000 0.278 508 G HA3 0.531 4.492 3.960 0.000 0.000 0.278 508 G C -1.617 173.289 174.900 0.011 0.000 1.307 508 G CA -0.773 44.318 45.100 -0.016 0.000 1.016 508 G HN 0.662 nan 8.290 nan 0.000 0.503 509 P HA -0.167 nan 4.420 nan 0.000 0.217 509 P C 2.121 179.474 177.300 0.090 0.000 1.162 509 P CA 0.872 64.026 63.100 0.091 0.000 0.901 509 P CB 0.053 31.806 31.700 0.089 0.000 0.793 510 L N -1.353 119.910 121.223 0.068 0.000 2.046 510 L HA -0.122 4.218 4.340 0.000 0.000 0.208 510 L C 2.208 179.084 176.870 0.010 0.000 1.077 510 L CA 1.792 56.666 54.840 0.058 0.000 0.747 510 L CB -1.256 40.838 42.059 0.058 0.000 0.896 510 L HN -0.093 nan 8.230 nan 0.000 0.432 511 L N -0.939 120.270 121.223 -0.024 0.000 2.179 511 L HA -0.059 4.281 4.340 0.000 0.000 0.208 511 L C 2.579 179.375 176.870 -0.123 0.000 1.096 511 L CA 0.876 55.667 54.840 -0.081 0.000 0.779 511 L CB -0.739 41.249 42.059 -0.120 0.000 0.922 511 L HN 0.353 nan 8.230 nan 0.000 0.443 512 A N -0.856 121.902 122.820 -0.103 0.000 2.019 512 A HA -0.268 4.052 4.320 0.000 0.000 0.219 512 A C 2.470 179.868 177.584 -0.309 0.000 1.164 512 A CA 1.714 53.691 52.037 -0.100 0.000 0.644 512 A CB -1.024 18.003 19.000 0.046 0.000 0.805 512 A HN 0.614 nan 8.150 nan 0.000 0.449 513 c N -0.573 117.822 118.600 -0.342 0.000 2.508 513 c HA 0.051 4.622 4.570 0.000 0.000 0.280 513 c C 2.561 176.295 174.090 -0.595 0.000 1.262 513 c CA 1.067 56.882 56.329 -0.856 0.000 1.706 513 c CB -1.510 40.802 42.510 -0.331 0.000 2.078 513 c HN 0.570 nan 8.230 nan 0.000 0.480 514 L N 0.946 122.076 121.223 -0.155 0.000 1.989 514 L HA -0.173 4.167 4.340 0.000 0.000 0.211 514 L C 2.753 179.685 176.870 0.104 0.000 1.071 514 L CA 1.828 56.715 54.840 0.078 0.000 0.749 514 L CB -0.851 41.203 42.059 -0.010 0.000 0.890 514 L HN 0.407 nan 8.230 nan 0.000 0.431 515 L N -0.472 120.775 121.223 0.040 0.000 2.017 515 L HA -0.147 4.193 4.340 0.000 0.000 0.208 515 L C 2.750 179.719 176.870 0.166 0.000 1.073 515 L CA 1.422 56.370 54.840 0.179 0.000 0.745 515 L CB -1.385 40.737 42.059 0.105 0.000 0.894 515 L HN 0.363 nan 8.230 nan 0.000 0.432 516 G N 1.044 109.810 108.800 -0.057 0.000 2.586 516 G HA2 -0.298 3.662 3.960 0.000 0.000 0.218 516 G HA3 -0.298 3.662 3.960 0.000 0.000 0.218 516 G C 1.594 176.516 174.900 0.037 0.000 1.216 516 G CA 1.099 46.158 45.100 -0.068 0.000 0.786 516 G HN 0.439 nan 8.290 nan 0.000 0.583 517 R N 0.036 120.460 120.500 -0.125 0.000 2.189 517 R HA -0.004 4.336 4.340 0.000 0.000 0.223 517 R C 2.301 178.673 176.300 0.120 0.000 1.092 517 R CA 1.457 57.569 56.100 0.020 0.000 0.989 517 R CB -0.431 29.790 30.300 -0.132 0.000 0.876 517 R HN 0.445 nan 8.270 nan 0.000 0.457 518 Q N 1.215 121.118 119.800 0.173 0.000 1.990 518 Q HA -0.080 4.260 4.340 0.000 0.000 0.200 518 Q C 1.650 177.537 176.000 -0.188 0.000 0.980 518 Q CA 1.636 57.421 55.803 -0.031 0.000 0.832 518 Q CB -0.352 28.059 28.738 -0.545 0.000 0.897 518 Q HN 0.296 nan 8.270 nan 0.000 0.427 519 F N 1.006 120.955 119.950 -0.001 0.000 2.250 519 F HA -0.148 4.379 4.527 0.000 0.000 0.301 519 F C 2.447 178.396 175.800 0.247 0.000 1.077 519 F CA 1.478 59.549 58.000 0.119 0.000 1.348 519 F CB -0.319 38.677 39.000 -0.007 0.000 1.040 519 F HN 0.322 nan 8.300 nan 0.000 0.509 520 Q N 0.381 120.364 119.800 0.305 0.000 2.083 520 Q HA -0.183 4.157 4.340 0.000 0.000 0.198 520 Q C 1.979 178.057 176.000 0.130 0.000 0.969 520 Q CA 1.383 57.326 55.803 0.234 0.000 0.838 520 Q CB -0.108 28.754 28.738 0.208 0.000 0.900 520 Q HN 0.487 nan 8.270 nan 0.000 0.436 521 Q N 0.313 120.175 119.800 0.104 0.000 2.079 521 Q HA -0.136 4.204 4.340 0.000 0.000 0.200 521 Q C 2.182 178.239 176.000 0.094 0.000 0.974 521 Q CA 1.570 57.421 55.803 0.079 0.000 0.840 521 Q CB -0.303 28.482 28.738 0.079 0.000 0.898 521 Q HN 0.522 nan 8.270 nan 0.000 0.430 522 I N -1.489 119.135 120.570 0.089 0.000 2.614 522 I HA -0.155 4.016 4.170 0.000 0.000 0.258 522 I C 2.189 178.405 176.117 0.165 0.000 1.189 522 I CA 1.326 62.714 61.300 0.148 0.000 1.462 522 I CB -0.233 37.843 38.000 0.128 0.000 1.092 522 I HN -0.017 nan 8.210 nan 0.000 0.442 523 R N 1.043 121.524 120.500 -0.032 0.000 2.090 523 R HA -0.053 4.287 4.340 0.000 0.000 0.219 523 R C 1.226 177.282 176.300 -0.407 0.000 1.100 523 R CA 1.359 57.081 56.100 -0.630 0.000 0.991 523 R CB -0.259 29.372 30.300 -1.116 0.000 0.893 523 R HN 0.322 nan 8.270 nan 0.000 0.443 524 D N -0.231 120.110 120.400 -0.098 0.000 2.277 524 D HA 0.000 4.640 4.640 0.000 0.000 0.208 524 D C 1.221 177.629 176.300 0.181 0.000 0.962 524 D CA 1.164 55.197 54.000 0.055 0.000 0.865 524 D CB -0.037 40.784 40.800 0.036 0.000 0.939 524 D HN 0.452 nan 8.370 nan 0.000 0.510 525 G N -0.041 108.892 108.800 0.222 0.000 3.371 525 G HA2 0.024 3.984 3.960 0.000 0.000 0.248 525 G HA3 0.024 3.984 3.960 0.000 0.000 0.248 525 G C -0.336 174.909 174.900 0.575 0.000 1.161 525 G CA -0.283 45.030 45.100 0.355 0.000 0.796 525 G HN -0.013 nan 8.290 nan 0.000 0.539 526 D N -0.312 120.377 120.400 0.481 0.000 2.392 526 D HA 0.265 4.906 4.640 0.000 0.000 0.228 526 D C 1.471 177.766 176.300 -0.008 0.000 1.074 526 D CA -0.717 53.474 54.000 0.318 0.000 0.838 526 D CB 1.178 42.229 40.800 0.419 0.000 1.067 526 D HN 0.017 nan 8.370 nan 0.000 0.511 527 R N 2.681 122.928 120.500 -0.422 0.000 2.193 527 R HA -0.069 4.271 4.340 0.000 0.000 0.229 527 R C 0.558 176.467 176.300 -0.652 0.000 1.110 527 R CA 1.291 56.803 56.100 -0.980 0.000 0.988 527 R CB -0.021 29.747 30.300 -0.887 0.000 0.871 527 R HN 0.425 nan 8.270 nan 0.000 0.458 528 F N -0.833 119.002 119.950 -0.192 0.000 2.641 528 F HA 0.152 4.680 4.527 0.000 0.000 0.302 528 F C 0.426 176.299 175.800 0.122 0.000 1.098 528 F CA -0.791 57.170 58.000 -0.065 0.000 1.318 528 F CB -0.038 38.904 39.000 -0.096 0.000 1.035 528 F HN 0.091 nan 8.300 nan 0.000 0.551 529 W N 3.100 124.450 121.300 0.084 0.000 2.314 529 W HA -0.164 4.496 4.660 0.000 0.000 0.339 529 W C 1.365 177.965 176.519 0.134 0.000 1.293 529 W CA -0.389 57.011 57.345 0.091 0.000 1.288 529 W CB 0.419 29.833 29.460 -0.077 0.000 1.186 529 W HN 0.507 nan 8.180 nan 0.000 0.566 530 W N 4.659 125.760 121.300 -0.331 0.000 2.350 530 W HA -0.206 4.454 4.660 0.000 0.000 0.289 530 W C 0.978 177.505 176.519 0.014 0.000 1.215 530 W CA 1.510 58.851 57.345 -0.007 0.000 1.236 530 W CB -0.804 28.537 29.460 -0.198 0.000 1.130 530 W HN 0.487 nan 8.180 nan 0.000 0.541 531 E N 0.816 120.264 120.200 -1.254 0.000 2.358 531 E HA -0.141 4.209 4.350 0.000 0.000 0.195 531 E C 0.390 176.992 176.600 0.004 0.000 1.010 531 E CA 0.005 55.892 56.400 -0.857 0.000 0.856 531 E CB -0.301 28.807 29.700 -0.986 0.000 0.795 531 E HN 0.053 nan 8.360 nan 0.000 0.504 532 N N 2.043 120.875 118.700 0.220 0.000 2.440 532 N HA 0.005 4.745 4.740 0.000 0.000 0.265 532 N C -2.668 172.910 175.510 0.113 0.000 1.239 532 N CA -1.396 51.837 53.050 0.306 0.000 0.909 532 N CB 0.657 39.290 38.487 0.243 0.000 1.066 532 N HN -0.243 nan 8.380 nan 0.000 0.474 533 P HA 0.105 nan 4.420 nan 0.000 0.264 533 P C 0.628 177.921 177.300 -0.012 0.000 1.183 533 P CA 0.654 63.774 63.100 0.033 0.000 0.763 533 P CB 0.552 32.264 31.700 0.020 0.000 0.807 534 G N 0.862 109.650 108.800 -0.021 0.000 2.213 534 G HA2 -0.263 3.698 3.960 0.000 0.000 0.226 534 G HA3 -0.263 3.698 3.960 0.000 0.000 0.226 534 G C 0.816 175.647 174.900 -0.116 0.000 0.992 534 G CA 0.204 45.262 45.100 -0.070 0.000 0.632 534 G HN 0.395 nan 8.290 nan 0.000 0.511 535 V N -0.357 119.495 119.914 -0.104 0.000 2.341 535 V HA 0.438 4.558 4.120 0.000 0.000 0.240 535 V C 1.137 177.035 176.094 -0.327 0.000 1.035 535 V CA 1.541 63.717 62.300 -0.208 0.000 1.033 535 V CB -0.288 31.461 31.823 -0.123 0.000 0.678 535 V HN 0.235 nan 8.190 nan 0.000 0.464 536 F N 0.088 120.072 119.950 0.056 0.000 2.538 536 F HA 0.514 5.041 4.527 0.000 0.000 0.325 536 F C 0.727 176.509 175.800 -0.029 0.000 1.066 536 F CA -0.750 57.268 58.000 0.030 0.000 0.946 536 F CB 1.590 40.668 39.000 0.130 0.000 1.199 536 F HN -0.024 nan 8.300 nan 0.000 0.473 537 T N -2.056 112.541 114.554 0.072 0.000 2.828 537 T HA 0.117 4.467 4.350 0.000 0.000 0.290 537 T C 1.014 175.736 174.700 0.036 0.000 1.019 537 T CA -0.473 61.632 62.100 0.008 0.000 1.031 537 T CB 1.245 70.076 68.868 -0.063 0.000 1.001 537 T HN 0.844 nan 8.240 nan 0.000 0.531 538 E N 0.553 120.770 120.200 0.029 0.000 2.160 538 E HA -0.208 4.142 4.350 0.000 0.000 0.195 538 E C 1.886 178.508 176.600 0.036 0.000 0.991 538 E CA 1.205 57.631 56.400 0.043 0.000 0.810 538 E CB -0.034 29.686 29.700 0.032 0.000 0.742 538 E HN 0.683 nan 8.360 nan 0.000 0.466 539 K N -0.212 120.188 120.400 -0.000 0.000 2.167 539 K HA -0.073 4.247 4.320 0.000 0.000 0.203 539 K C 2.284 178.864 176.600 -0.034 0.000 1.052 539 K CA 0.772 57.055 56.287 -0.006 0.000 0.956 539 K CB 0.113 32.602 32.500 -0.018 0.000 0.735 539 K HN 0.213 nan 8.250 nan 0.000 0.451 540 Q N 0.015 119.736 119.800 -0.131 0.000 2.119 540 Q HA -0.117 4.223 4.340 0.000 0.000 0.201 540 Q C 1.988 177.979 176.000 -0.014 0.000 0.972 540 Q CA 1.130 56.749 55.803 -0.306 0.000 0.847 540 Q CB 0.001 28.421 28.738 -0.529 0.000 0.903 540 Q HN 0.219 nan 8.270 nan 0.000 0.433 541 R N 0.580 121.128 120.500 0.080 0.000 2.115 541 R HA -0.092 4.248 4.340 0.000 0.000 0.230 541 R C 1.660 178.063 176.300 0.171 0.000 1.111 541 R CA 0.962 57.179 56.100 0.195 0.000 0.976 541 R CB -0.034 30.436 30.300 0.284 0.000 0.870 541 R HN 0.295 nan 8.270 nan 0.000 0.445 542 D N 0.116 120.587 120.400 0.119 0.000 2.178 542 D HA -0.072 4.568 4.640 0.000 0.000 0.201 542 D C 1.539 177.892 176.300 0.087 0.000 0.980 542 D CA 1.271 55.331 54.000 0.102 0.000 0.842 542 D CB 0.160 41.006 40.800 0.077 0.000 0.948 542 D HN 0.089 nan 8.370 nan 0.000 0.472 543 S N 0.052 115.816 115.700 0.106 0.000 2.470 543 S HA 0.054 4.524 4.470 0.000 0.000 0.225 543 S C 2.115 176.752 174.600 0.062 0.000 1.006 543 S CA 0.088 58.357 58.200 0.115 0.000 0.934 543 S CB 0.260 63.595 63.200 0.224 0.000 0.778 543 S HN 0.214 nan 8.310 nan 0.000 0.517 544 L N 1.064 122.299 121.223 0.019 0.000 2.270 544 L HA 0.052 4.392 4.340 0.000 0.000 0.210 544 L C 2.361 179.084 176.870 -0.245 0.000 1.104 544 L CA 0.751 55.495 54.840 -0.161 0.000 0.804 544 L CB -0.348 41.491 42.059 -0.366 0.000 0.937 544 L HN 0.249 nan 8.230 nan 0.000 0.450 545 Q N -0.140 119.586 119.800 -0.125 0.000 2.439 545 Q HA -0.196 4.145 4.340 0.000 0.000 0.211 545 Q C 1.671 177.642 176.000 -0.049 0.000 0.978 545 Q CA 1.036 56.796 55.803 -0.073 0.000 0.897 545 Q CB 0.139 28.926 28.738 0.082 0.000 0.956 545 Q HN 0.223 nan 8.270 nan 0.000 0.483 546 K N -0.326 120.050 120.400 -0.041 0.000 2.361 546 K HA 0.031 4.351 4.320 0.000 0.000 0.194 546 K C 0.182 176.763 176.600 -0.030 0.000 1.032 546 K CA -0.078 56.196 56.287 -0.022 0.000 1.048 546 K CB 0.650 33.149 32.500 -0.002 0.000 0.842 546 K HN 0.084 nan 8.250 nan 0.000 0.526 547 V N -0.157 119.732 119.914 -0.043 0.000 3.139 547 V HA 0.281 4.402 4.120 0.000 0.000 0.307 547 V C 0.060 176.158 176.094 0.007 0.000 1.095 547 V CA -0.369 61.941 62.300 0.017 0.000 1.160 547 V CB 1.138 33.035 31.823 0.123 0.000 1.003 547 V HN 0.237 nan 8.190 nan 0.000 0.489 548 S N 1.773 117.516 115.700 0.073 0.000 2.596 548 S HA 0.551 5.022 4.470 0.000 0.000 0.270 548 S C -0.174 174.489 174.600 0.105 0.000 1.155 548 S CA -0.331 57.889 58.200 0.033 0.000 0.827 548 S CB 1.291 64.480 63.200 -0.018 0.000 1.130 548 S HN 0.827 nan 8.310 nan 0.000 0.467 549 F N 1.986 121.886 119.950 -0.084 0.000 2.234 549 F HA 0.046 4.573 4.527 0.000 0.000 0.299 549 F C 2.480 178.229 175.800 -0.085 0.000 1.087 549 F CA 1.989 59.941 58.000 -0.081 0.000 1.340 549 F CB -0.454 38.320 39.000 -0.376 0.000 1.031 549 F HN 0.658 nan 8.300 nan 0.000 0.500 550 S N 0.185 115.865 115.700 -0.033 0.000 2.359 550 S HA -0.278 4.192 4.470 0.000 0.000 0.224 550 S C 1.998 176.518 174.600 -0.134 0.000 1.035 550 S CA 1.571 59.725 58.200 -0.077 0.000 1.018 550 S CB -0.404 62.748 63.200 -0.081 0.000 0.876 550 S HN 0.296 nan 8.310 nan 0.000 0.448 551 R N 1.290 121.717 120.500 -0.121 0.000 2.082 551 R HA -0.056 4.284 4.340 0.000 0.000 0.234 551 R C 2.172 178.342 176.300 -0.217 0.000 1.136 551 R CA 1.405 57.425 56.100 -0.134 0.000 0.935 551 R CB -1.136 29.104 30.300 -0.099 0.000 0.842 551 R HN 0.350 nan 8.270 nan 0.000 0.430 552 L N 0.260 121.300 121.223 -0.305 0.000 2.085 552 L HA -0.264 4.076 4.340 0.000 0.000 0.218 552 L C 1.870 178.494 176.870 -0.410 0.000 1.080 552 L CA 1.793 56.356 54.840 -0.461 0.000 0.776 552 L CB -0.451 41.185 42.059 -0.706 0.000 0.891 552 L HN 0.307 nan 8.230 nan 0.000 0.437 553 I N -1.246 119.091 120.570 -0.389 0.000 2.113 553 I HA -0.316 3.854 4.170 0.000 0.000 0.238 553 I C 2.680 178.697 176.117 -0.167 0.000 1.070 553 I CA 1.445 62.599 61.300 -0.243 0.000 1.332 553 I CB -1.847 36.078 38.000 -0.125 0.000 1.044 553 I HN 0.397 nan 8.210 nan 0.000 0.402 554 c N 1.286 119.805 118.600 -0.134 0.000 2.386 554 c HA -0.219 4.351 4.570 0.000 0.000 0.279 554 c C 2.400 176.414 174.090 -0.126 0.000 1.208 554 c CA 1.028 57.298 56.329 -0.098 0.000 1.747 554 c CB -1.135 41.330 42.510 -0.075 0.000 2.046 554 c HN 0.519 nan 8.230 nan 0.000 0.453 555 D N 0.269 120.579 120.400 -0.150 0.000 2.350 555 D HA -0.055 4.585 4.640 0.000 0.000 0.216 555 D C 1.009 177.200 176.300 -0.183 0.000 0.968 555 D CA 0.933 54.840 54.000 -0.155 0.000 0.894 555 D CB -0.492 40.209 40.800 -0.165 0.000 0.909 555 D HN 0.591 nan 8.370 nan 0.000 0.520 556 N N -0.046 118.530 118.700 -0.206 0.000 2.291 556 N HA 0.031 4.772 4.740 0.000 0.000 0.244 556 N C 0.202 175.572 175.510 -0.233 0.000 1.216 556 N CA 0.162 53.081 53.050 -0.218 0.000 0.879 556 N CB 1.667 40.022 38.487 -0.220 0.000 1.167 556 N HN 0.230 nan 8.380 nan 0.000 0.515 557 T N -3.480 110.913 114.554 -0.268 0.000 2.627 557 T HA 0.309 4.659 4.350 0.000 0.000 0.294 557 T C -0.507 173.953 174.700 -0.401 0.000 1.230 557 T CA -0.350 61.582 62.100 -0.281 0.000 1.084 557 T CB 1.589 70.374 68.868 -0.138 0.000 1.693 557 T HN 0.069 nan 8.240 nan 0.000 0.465 558 H N -0.948 118.086 119.070 -0.060 0.000 2.575 558 H HA 0.537 5.093 4.556 0.000 0.000 0.256 558 H C -0.565 174.727 175.328 -0.061 0.000 1.162 558 H CA -0.459 55.547 56.048 -0.070 0.000 0.969 558 H CB 0.085 29.780 29.762 -0.112 0.000 1.796 558 H HN 0.307 nan 8.280 nan 0.000 0.607 559 I N 0.975 121.568 120.570 0.039 0.000 2.472 559 I HA 0.072 4.242 4.170 0.000 0.000 0.290 559 I C 1.313 177.478 176.117 0.080 0.000 1.016 559 I CA 0.216 61.546 61.300 0.050 0.000 1.348 559 I CB 1.594 39.627 38.000 0.055 0.000 1.417 559 I HN 0.245 nan 8.210 nan 0.000 0.521 560 T N 0.248 114.871 114.554 0.115 0.000 3.058 560 T HA 0.313 4.663 4.350 0.000 0.000 0.278 560 T C 0.372 175.158 174.700 0.144 0.000 0.974 560 T CA -0.333 61.830 62.100 0.105 0.000 0.893 560 T CB 0.236 69.153 68.868 0.082 0.000 1.138 560 T HN 0.251 nan 8.240 nan 0.000 0.529 561 K N 2.328 122.872 120.400 0.239 0.000 2.376 561 K HA 0.710 5.030 4.320 0.000 0.000 0.257 561 K C -0.714 176.157 176.600 0.451 0.000 0.939 561 K CA -0.586 55.890 56.287 0.316 0.000 0.809 561 K CB 2.542 35.273 32.500 0.386 0.000 1.121 561 K HN 0.329 nan 8.250 nan 0.000 0.425 562 V N -0.493 119.619 119.914 0.330 0.000 3.147 562 V HA 0.681 4.801 4.120 0.000 0.000 0.306 562 V C -2.812 173.168 176.094 -0.191 0.000 1.209 562 V CA -2.302 60.122 62.300 0.206 0.000 1.023 562 V CB 2.431 34.310 31.823 0.094 0.000 1.059 562 V HN 0.504 nan 8.190 nan 0.000 0.435 563 P HA 0.363 nan 4.420 nan 0.000 0.278 563 P C 0.120 177.227 177.300 -0.320 0.000 1.258 563 P CA -0.332 62.413 63.100 -0.592 0.000 0.811 563 P CB 1.773 33.032 31.700 -0.734 0.000 1.063 564 L N 0.632 121.666 121.223 -0.314 0.000 2.095 564 L HA 0.004 4.344 4.340 0.000 0.000 0.204 564 L C 1.445 178.016 176.870 -0.497 0.000 1.080 564 L CA 1.718 56.317 54.840 -0.401 0.000 0.759 564 L CB -1.563 40.200 42.059 -0.492 0.000 0.914 564 L HN 0.443 nan 8.230 nan 0.000 0.439 565 H N -0.563 118.448 119.070 -0.098 0.000 2.628 565 H HA 0.382 4.938 4.556 0.000 0.000 0.250 565 H C 1.071 176.343 175.328 -0.092 0.000 1.442 565 H CA 0.223 56.238 56.048 -0.054 0.000 1.282 565 H CB 0.612 30.362 29.762 -0.021 0.000 1.487 565 H HN 0.086 nan 8.280 nan 0.000 0.544 566 A N 1.906 124.665 122.820 -0.102 0.000 2.225 566 A HA -0.120 4.200 4.320 0.000 0.000 0.215 566 A C 1.215 178.632 177.584 -0.278 0.000 1.164 566 A CA 0.913 52.823 52.037 -0.212 0.000 0.710 566 A CB -0.551 18.301 19.000 -0.247 0.000 0.780 566 A HN 0.368 nan 8.150 nan 0.000 0.473 567 F N -0.099 119.858 119.950 0.010 0.000 2.530 567 F HA 0.094 4.621 4.527 0.000 0.000 0.292 567 F C 1.633 177.417 175.800 -0.027 0.000 1.109 567 F CA 0.557 58.567 58.000 0.017 0.000 1.450 567 F CB -0.024 38.998 39.000 0.036 0.000 1.114 567 F HN 0.424 nan 8.300 nan 0.000 0.560 568 Q N 1.002 120.874 119.800 0.121 0.000 2.212 568 Q HA 0.620 4.960 4.340 0.000 0.000 0.238 568 Q C -0.198 175.821 176.000 0.031 0.000 0.955 568 Q CA -0.892 54.927 55.803 0.027 0.000 0.906 568 Q CB 1.392 30.129 28.738 -0.002 0.000 1.215 568 Q HN 0.075 nan 8.270 nan 0.000 0.478 569 A N 2.494 125.328 122.820 0.023 0.000 2.522 569 A HA 0.180 4.500 4.320 0.000 0.000 0.256 569 A C -0.902 176.712 177.584 0.050 0.000 1.086 569 A CA -0.150 51.917 52.037 0.050 0.000 0.763 569 A CB -0.796 18.232 19.000 0.047 0.000 1.024 569 A HN 0.777 nan 8.150 nan 0.000 0.502 570 N N 2.284 121.026 118.700 0.070 0.000 2.238 570 N HA 0.409 5.149 4.740 0.000 0.000 0.302 570 N C -1.071 174.578 175.510 0.232 0.000 1.072 570 N CA -0.787 52.300 53.050 0.061 0.000 0.792 570 N CB 1.546 39.932 38.487 -0.169 0.000 1.425 570 N HN 0.674 nan 8.380 nan 0.000 0.478 571 N N 0.643 119.500 118.700 0.263 0.000 2.430 571 N HA 0.225 4.965 4.740 0.000 0.000 0.298 571 N C -1.450 174.314 175.510 0.423 0.000 1.130 571 N CA -0.373 52.861 53.050 0.306 0.000 0.894 571 N CB 1.886 40.478 38.487 0.174 0.000 1.209 571 N HN 0.496 nan 8.380 nan 0.000 0.503 572 Y N 2.383 122.742 120.300 0.098 0.000 2.342 572 Y HA 0.374 4.924 4.550 0.000 0.000 0.334 572 Y C -1.452 174.415 175.900 -0.055 0.000 1.067 572 Y CA -1.320 56.659 58.100 -0.202 0.000 1.128 572 Y CB 1.245 39.227 38.460 -0.797 0.000 1.200 572 Y HN 0.451 nan 8.280 nan 0.000 0.464 573 P HA 0.026 nan 4.420 nan 0.000 0.275 573 P C 0.864 177.991 177.300 -0.288 0.000 1.310 573 P CA 0.548 63.013 63.100 -1.058 0.000 0.904 573 P CB 0.127 31.051 31.700 -1.294 0.000 1.381 574 H N 1.671 120.655 119.070 -0.143 0.000 2.352 574 H HA -0.091 4.465 4.556 0.000 0.000 0.299 574 H C 0.463 175.778 175.328 -0.022 0.000 1.097 574 H CA 1.600 57.610 56.048 -0.063 0.000 1.311 574 H CB 0.095 29.838 29.762 -0.032 0.000 1.377 574 H HN 0.046 nan 8.280 nan 0.000 0.504 575 D N -0.406 120.044 120.400 0.084 0.000 2.339 575 D HA 0.018 4.658 4.640 0.000 0.000 0.217 575 D C -0.276 175.882 176.300 -0.236 0.000 1.050 575 D CA 0.089 54.057 54.000 -0.053 0.000 0.856 575 D CB -0.078 40.719 40.800 -0.004 0.000 0.922 575 D HN 0.117 nan 8.370 nan 0.000 0.518 576 F N 0.972 120.809 119.950 -0.187 0.000 2.399 576 F HA 0.288 4.815 4.527 0.000 0.000 0.334 576 F C 0.703 176.414 175.800 -0.149 0.000 1.097 576 F CA -1.123 56.787 58.000 -0.149 0.000 1.076 576 F CB 1.444 40.360 39.000 -0.141 0.000 1.162 576 F HN -0.310 nan 8.300 nan 0.000 0.495 577 V N -0.859 119.069 119.914 0.023 0.000 3.141 577 V HA 0.583 4.703 4.120 0.000 0.000 0.312 577 V C -0.992 175.126 176.094 0.040 0.000 1.157 577 V CA -1.096 61.200 62.300 -0.008 0.000 1.041 577 V CB 1.817 33.602 31.823 -0.064 0.000 1.071 577 V HN 0.660 nan 8.190 nan 0.000 0.441 578 D N 0.727 121.141 120.400 0.023 0.000 2.382 578 D HA 0.210 4.850 4.640 0.000 0.000 0.245 578 D C 1.028 177.338 176.300 0.017 0.000 1.120 578 D CA 0.296 54.318 54.000 0.036 0.000 0.890 578 D CB 1.376 42.189 40.800 0.022 0.000 1.201 578 D HN 0.737 nan 8.370 nan 0.000 0.433 579 c N 1.839 120.455 118.600 0.026 0.000 2.397 579 c HA -0.182 4.389 4.570 0.000 0.000 0.286 579 c C 2.667 176.749 174.090 -0.014 0.000 1.308 579 c CA 1.347 57.677 56.329 0.002 0.000 1.805 579 c CB -1.569 40.944 42.510 0.004 0.000 1.952 579 c HN 0.811 nan 8.230 nan 0.000 0.518 580 S N 0.816 116.511 115.700 -0.008 0.000 2.442 580 S HA -0.033 4.437 4.470 0.000 0.000 0.236 580 S C 1.551 176.138 174.600 -0.022 0.000 1.007 580 S CA 1.264 59.456 58.200 -0.014 0.000 0.965 580 S CB -0.308 62.887 63.200 -0.008 0.000 0.773 580 S HN 0.666 nan 8.310 nan 0.000 0.504 581 A N 0.605 123.409 122.820 -0.027 0.000 2.379 581 A HA 0.590 4.910 4.320 0.000 0.000 0.236 581 A C 0.394 177.950 177.584 -0.048 0.000 1.272 581 A CA -0.305 51.711 52.037 -0.035 0.000 0.886 581 A CB 0.034 19.010 19.000 -0.040 0.000 0.962 581 A HN 0.354 nan 8.150 nan 0.000 0.504 582 V N 1.678 121.563 119.914 -0.048 0.000 2.394 582 V HA 0.164 4.284 4.120 0.000 0.000 0.282 582 V C -0.691 175.373 176.094 -0.050 0.000 1.031 582 V CA -0.907 61.357 62.300 -0.060 0.000 0.881 582 V CB 1.194 32.978 31.823 -0.065 0.000 0.982 582 V HN 0.377 nan 8.190 nan 0.000 0.451 583 D N 4.365 124.736 120.400 -0.047 0.000 2.488 583 D HA 0.139 4.779 4.640 0.000 0.000 0.238 583 D C 0.248 176.524 176.300 -0.040 0.000 1.138 583 D CA 0.638 54.617 54.000 -0.035 0.000 0.873 583 D CB 0.525 41.308 40.800 -0.027 0.000 1.183 583 D HN 0.459 nan 8.370 nan 0.000 0.458 584 K N 1.036 121.414 120.400 -0.037 0.000 2.139 584 K HA 0.458 4.778 4.320 0.000 0.000 0.243 584 K C -0.426 176.149 176.600 -0.042 0.000 0.983 584 K CA -1.210 55.048 56.287 -0.048 0.000 0.890 584 K CB 1.282 33.753 32.500 -0.048 0.000 1.090 584 K HN 0.238 nan 8.250 nan 0.000 0.445 585 L N 2.073 123.257 121.223 -0.064 0.000 2.295 585 L HA 0.130 4.470 4.340 0.000 0.000 0.288 585 L C -0.447 176.394 176.870 -0.049 0.000 1.079 585 L CA -0.011 54.791 54.840 -0.064 0.000 0.830 585 L CB 0.181 42.168 42.059 -0.120 0.000 1.200 585 L HN 0.419 nan 8.230 nan 0.000 0.438 586 D N 4.642 125.047 120.400 0.008 0.000 2.343 586 D HA 0.088 4.728 4.640 0.000 0.000 0.255 586 D C 0.438 176.796 176.300 0.098 0.000 1.187 586 D CA 0.154 54.178 54.000 0.040 0.000 0.875 586 D CB 1.005 41.844 40.800 0.065 0.000 1.136 586 D HN 0.683 nan 8.370 nan 0.000 0.469 587 L N 3.125 124.383 121.223 0.059 0.000 2.818 587 L HA 0.010 4.350 4.340 0.000 0.000 0.243 587 L C 2.061 179.086 176.870 0.257 0.000 1.185 587 L CA -0.113 54.798 54.840 0.119 0.000 0.988 587 L CB 0.017 42.012 42.059 -0.105 0.000 1.292 587 L HN 0.345 nan 8.230 nan 0.000 0.519 588 S N -0.266 115.550 115.700 0.194 0.000 2.402 588 S HA -0.034 4.436 4.470 0.000 0.000 0.229 588 S C -0.618 174.097 174.600 0.192 0.000 1.021 588 S CA 0.462 58.751 58.200 0.149 0.000 0.974 588 S CB -1.314 61.938 63.200 0.087 0.000 0.800 588 S HN 0.245 nan 8.310 nan 0.000 0.484 589 P HA -0.035 nan 4.420 nan 0.000 0.223 589 P C 0.763 178.092 177.300 0.047 0.000 1.144 589 P CA 0.814 63.965 63.100 0.085 0.000 0.783 589 P CB -0.198 31.480 31.700 -0.037 0.000 0.771 590 W N -0.455 120.891 121.300 0.077 0.000 3.197 590 W HA 0.352 5.012 4.660 0.000 0.000 0.274 590 W C 0.589 177.120 176.519 0.020 0.000 1.297 590 W CA -0.372 57.041 57.345 0.113 0.000 1.662 590 W CB -0.077 29.461 29.460 0.129 0.000 1.106 590 W HN -0.147 nan 8.180 nan 0.000 0.663 591 A N 1.509 124.425 122.820 0.159 0.000 2.524 591 A HA 0.209 4.529 4.320 0.000 0.000 0.250 591 A C 0.264 177.881 177.584 0.056 0.000 1.078 591 A CA 0.675 52.728 52.037 0.027 0.000 0.761 591 A CB 0.258 19.274 19.000 0.026 0.000 1.012 591 A HN -0.012 nan 8.150 nan 0.000 0.500 592 S N 3.194 118.919 115.700 0.041 0.000 2.552 592 S HA 0.560 5.030 4.470 0.000 0.000 0.314 592 S C -0.377 174.322 174.600 0.164 0.000 1.099 592 S CA -0.856 57.446 58.200 0.170 0.000 1.070 592 S CB 0.503 63.933 63.200 0.383 0.000 0.998 592 S HN 0.694 nan 8.310 nan 0.000 0.474 593 R N 2.836 123.390 120.500 0.090 0.000 2.486 593 R HA 0.370 4.710 4.340 0.000 0.000 0.286 593 R C 0.887 177.189 176.300 0.004 0.000 0.999 593 R CA -0.621 55.484 56.100 0.009 0.000 0.993 593 R CB 0.961 31.260 30.300 -0.001 0.000 1.084 593 R HN 0.730 nan 8.270 nan 0.000 0.487 594 E N 1.512 121.660 120.200 -0.088 0.000 2.001 594 E HA -0.079 4.271 4.350 0.000 0.000 0.195 594 E C 0.449 177.043 176.600 -0.009 0.000 1.002 594 E CA 1.163 57.527 56.400 -0.060 0.000 0.819 594 E CB -0.262 29.363 29.700 -0.126 0.000 0.769 594 E HN 0.471 nan 8.360 nan 0.000 0.454 595 N N 0.000 118.689 118.700 -0.018 0.000 1.763 595 N HA 0.000 4.740 4.740 0.000 0.000 0.220 595 N CA 0.000 53.047 53.050 -0.004 0.000 0.885 595 N CB 0.000 38.481 38.487 -0.009 0.000 1.341 595 N HN 0.000 nan 8.380 nan 0.000 0.667