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 3n8y_1_B DATA FIRST_RESID 32 DATA SEQUENCE PVNPccYYPc QHQGIcVRFG LDRYQcDcTR TGYSGPNcTI PEIWTWLRTT DATA SEQUENCE LRPSPSFIHF LLTHGRWLWD FVNATFIRDT LMRLVLTVRS NLIPSPPTYN DATA SEQUENCE IAHDYISWES FSNVSYYTRI LPSVPRDcPT PMGTKGKKQL PDAEFLSRRF DATA SEQUENCE LLRRKFIPDP QGTNLMFAFF AQHFTHQFFK TSGKMGPGFT KALGHGVDLG DATA SEQUENCE HIYGDNLERQ YQLRLFKDGK LKYQMLNGEV YPPSVEEAPV LMHYPRGIPP DATA SEQUENCE QSQMAVGQEV FGLLPGLMLY ATIWLREHNR VCDLLKAEHP TWGDEQLFQT DATA SEQUENCE ARLILIGETI KIVIEEYVQQ LSGYFLQLKF DPELLFGAQF QYRNRIAMEF DATA SEQUENCE NQLYHWHPLM PDSFRVGPQD YSYEQFLFNT SMLVDYGVEA LVDAFSRQPA DATA SEQUENCE GRIGGGRNID HHILHVAVDV IKESRVLRLQ PFNEYRKRFG MKPYTSFQEL DATA SEQUENCE TGEKEMAAEL EELYGDIDAL EFYPGLLLEK CHPNSIFGES MIEMGAPFXL DATA SEQUENCE KGLLGNPICS PEYWKASTFG GEVGFNLVKT ATLKKLVcLN TKTcPYVSFH DATA SEQUENCE VPD 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 32 P HA 0.000 nan 4.420 nan 0.000 0.216 32 P C 0.000 177.327 177.300 0.044 0.000 1.155 32 P CA 0.000 63.120 63.100 0.033 0.000 0.800 32 P CB 0.000 31.717 31.700 0.028 0.000 0.726 33 V N 1.820 121.756 119.914 0.036 0.000 3.480 33 V HA -0.164 3.956 4.120 0.001 0.000 0.494 33 V C -0.190 175.935 176.094 0.052 0.000 0.682 33 V CA -0.071 62.253 62.300 0.041 0.000 2.039 33 V CB -1.119 30.748 31.823 0.072 0.000 2.474 33 V HN 0.703 nan 8.190 nan 0.000 0.505 34 N N 8.489 127.199 118.700 0.016 0.000 2.438 34 N HA 0.228 4.969 4.740 0.001 0.000 0.267 34 N C -0.469 175.056 175.510 0.025 0.000 1.222 34 N CA -1.367 51.688 53.050 0.008 0.000 0.930 34 N CB 1.335 39.803 38.487 -0.033 0.000 1.083 34 N HN 0.457 nan 8.380 nan 0.000 0.476 35 P HA -0.064 nan 4.420 nan 0.000 0.222 35 P C 0.764 178.001 177.300 -0.105 0.000 1.147 35 P CA 0.771 63.894 63.100 0.038 0.000 0.790 35 P CB 0.089 31.800 31.700 0.017 0.000 0.780 36 c N -0.995 117.523 118.600 -0.138 0.000 2.491 36 c HA -0.011 4.560 4.570 0.001 0.000 0.277 36 c C 2.863 176.746 174.090 -0.346 0.000 1.455 36 c CA 0.188 56.398 56.329 -0.197 0.000 1.758 36 c CB -2.214 40.234 42.510 -0.104 0.000 1.745 36 c HN 0.346 nan 8.230 nan 0.000 0.558 37 c N -0.567 117.812 118.600 -0.367 0.000 2.432 37 c HA -0.095 4.476 4.570 0.001 0.000 0.280 37 c C 2.149 175.684 174.090 -0.925 0.000 1.353 37 c CA 0.697 56.644 56.329 -0.637 0.000 1.766 37 c CB -1.536 40.677 42.510 -0.495 0.000 1.924 37 c HN 0.691 nan 8.230 nan 0.000 0.509 38 Y N -1.352 118.631 120.300 -0.527 0.000 2.583 38 Y HA 0.076 4.627 4.550 0.001 0.000 0.293 38 Y C 0.595 176.324 175.900 -0.284 0.000 1.157 38 Y CA 0.208 58.092 58.100 -0.360 0.000 1.315 38 Y CB -0.820 37.504 38.460 -0.226 0.000 1.021 38 Y HN 0.303 nan 8.280 nan 0.000 0.536 39 Y N -1.180 119.108 120.300 -0.019 0.000 2.988 39 Y HA -0.213 4.338 4.550 0.001 0.000 0.193 39 Y C -1.690 174.166 175.900 -0.073 0.000 1.388 39 Y CA -0.734 57.325 58.100 -0.068 0.000 0.904 39 Y CB -1.883 36.530 38.460 -0.078 0.000 1.297 39 Y HN 0.196 nan 8.280 nan 0.000 0.432 40 P HA -0.051 nan 4.420 nan 0.000 0.222 40 P C 0.406 177.720 177.300 0.023 0.000 1.153 40 P CA 0.905 63.964 63.100 -0.068 0.000 0.798 40 P CB 0.224 31.712 31.700 -0.353 0.000 0.796 41 c N 2.208 120.832 118.600 0.040 0.000 2.637 41 c HA 0.305 4.876 4.570 0.001 0.000 0.418 41 c C 0.725 174.806 174.090 -0.015 0.000 1.319 41 c CA -0.450 55.915 56.329 0.060 0.000 1.949 41 c CB -0.475 42.087 42.510 0.086 0.000 2.639 41 c HN 0.278 nan 8.230 nan 0.000 0.594 42 Q N 0.285 120.053 119.800 -0.054 0.000 2.297 42 Q HA 0.302 4.643 4.340 0.001 0.000 0.268 42 Q C -0.147 175.738 176.000 -0.190 0.000 1.045 42 Q CA -0.576 55.091 55.803 -0.228 0.000 0.861 42 Q CB 0.810 29.354 28.738 -0.323 0.000 1.344 42 Q HN 0.951 nan 8.270 nan 0.000 0.452 43 H N 0.984 119.942 119.070 -0.186 0.000 2.591 43 H HA -0.200 4.357 4.556 0.002 0.000 0.325 43 H C -0.318 174.975 175.328 -0.058 0.000 1.096 43 H CA 0.818 56.767 56.048 -0.165 0.000 1.108 43 H CB -1.691 27.864 29.762 -0.345 0.000 1.590 43 H HN 0.659 nan 8.280 nan 0.000 0.399 44 Q N -2.590 117.208 119.800 -0.004 0.000 2.481 44 Q HA -0.188 4.153 4.340 0.001 0.000 0.258 44 Q C 1.028 177.058 176.000 0.050 0.000 0.961 44 Q CA 0.855 56.663 55.803 0.008 0.000 1.121 44 Q CB -1.308 27.435 28.738 0.007 0.000 1.503 44 Q HN 0.816 nan 8.270 nan 0.000 0.544 45 G N 0.401 109.234 108.800 0.055 0.000 2.539 45 G HA2 0.520 4.480 3.960 0.001 0.000 0.258 45 G HA3 0.520 4.480 3.960 0.001 0.000 0.258 45 G C -0.137 174.815 174.900 0.086 0.000 1.202 45 G CA -0.542 44.608 45.100 0.083 0.000 0.851 45 G HN 0.215 nan 8.290 nan 0.000 0.556 46 I N 0.598 121.236 120.570 0.112 0.000 2.355 46 I HA 0.177 4.348 4.170 0.001 0.000 0.288 46 I C 0.163 176.362 176.117 0.137 0.000 0.999 46 I CA -0.598 60.775 61.300 0.121 0.000 1.163 46 I CB 1.726 39.813 38.000 0.145 0.000 1.316 46 I HN 0.363 nan 8.210 nan 0.000 0.454 47 c N 8.013 126.680 118.600 0.112 0.000 2.619 47 c HA 0.403 4.973 4.570 0.001 0.000 0.389 47 c C 0.332 174.499 174.090 0.128 0.000 1.314 47 c CA -0.141 56.270 56.329 0.136 0.000 1.678 47 c CB -1.007 41.535 42.510 0.052 0.000 2.398 47 c HN 0.555 nan 8.230 nan 0.000 0.582 48 V N 8.268 128.303 119.914 0.200 0.000 2.448 48 V HA 0.443 4.564 4.120 0.001 0.000 0.295 48 V C 0.345 176.525 176.094 0.143 0.000 1.025 48 V CA -0.570 61.801 62.300 0.118 0.000 0.859 48 V CB 1.436 33.332 31.823 0.122 0.000 0.988 48 V HN 0.755 nan 8.190 nan 0.000 0.431 49 R N 3.413 123.904 120.500 -0.015 0.000 2.248 49 R HA 0.418 4.759 4.340 0.001 0.000 0.328 49 R C -1.408 174.814 176.300 -0.130 0.000 1.067 49 R CA -0.053 56.059 56.100 0.020 0.000 0.924 49 R CB 0.307 30.598 30.300 -0.014 0.000 1.013 49 R HN 0.548 nan 8.270 nan 0.000 0.454 50 F N 2.383 122.363 119.950 0.050 0.000 2.469 50 F HA 0.394 4.921 4.527 0.001 0.000 0.332 50 F C 1.253 177.063 175.800 0.017 0.000 1.103 50 F CA 0.612 58.624 58.000 0.020 0.000 0.979 50 F CB 2.004 41.006 39.000 0.003 0.000 1.137 50 F HN 0.840 nan 8.300 nan 0.000 0.463 51 G N 2.816 111.719 108.800 0.172 0.000 2.547 51 G HA2 -0.301 3.660 3.960 0.001 0.000 0.271 51 G HA3 -0.301 3.660 3.960 0.001 0.000 0.271 51 G C 0.644 175.583 174.900 0.066 0.000 1.209 51 G CA 0.296 45.459 45.100 0.106 0.000 0.959 51 G HN 0.636 nan 8.290 nan 0.000 0.563 52 L N 0.862 122.120 121.223 0.058 0.000 2.168 52 L HA 0.236 4.577 4.340 0.001 0.000 0.203 52 L C 2.308 179.211 176.870 0.055 0.000 1.078 52 L CA 1.939 56.806 54.840 0.045 0.000 0.780 52 L CB -0.223 41.857 42.059 0.035 0.000 0.939 52 L HN 0.772 nan 8.230 nan 0.000 0.451 53 D N -2.076 118.366 120.400 0.070 0.000 2.449 53 D HA 0.036 4.677 4.640 0.001 0.000 0.255 53 D C 0.829 177.204 176.300 0.124 0.000 1.121 53 D CA -0.266 53.784 54.000 0.083 0.000 0.830 53 D CB 0.206 41.044 40.800 0.064 0.000 1.280 53 D HN 0.005 nan 8.370 nan 0.000 0.522 54 R N 0.207 120.781 120.500 0.125 0.000 2.649 54 R HA 0.533 4.874 4.340 0.001 0.000 0.270 54 R C -0.394 176.059 176.300 0.256 0.000 1.105 54 R CA -0.348 55.834 56.100 0.138 0.000 1.193 54 R CB 0.182 30.513 30.300 0.050 0.000 1.120 54 R HN 0.261 nan 8.270 nan 0.000 0.561 55 Y N -2.912 117.451 120.300 0.106 0.000 2.625 55 Y HA 0.573 5.124 4.550 0.001 0.000 0.338 55 Y C -1.356 174.630 175.900 0.143 0.000 1.123 55 Y CA -1.238 56.955 58.100 0.156 0.000 1.046 55 Y CB 1.734 40.251 38.460 0.095 0.000 1.299 55 Y HN 0.404 nan 8.280 nan 0.000 0.464 56 Q N 1.167 121.124 119.800 0.261 0.000 2.345 56 Q HA 0.603 4.943 4.340 0.001 0.000 0.275 56 Q C -1.810 174.338 176.000 0.246 0.000 1.063 56 Q CA -0.887 54.959 55.803 0.072 0.000 0.819 56 Q CB 2.902 31.609 28.738 -0.052 0.000 1.356 56 Q HN 0.899 nan 8.270 nan 0.000 0.418 57 c N 1.505 120.205 118.600 0.165 0.000 2.295 57 c HA 0.315 4.886 4.570 0.001 0.000 0.331 57 c C -0.117 174.048 174.090 0.124 0.000 1.280 57 c CA -0.566 55.871 56.329 0.180 0.000 1.746 57 c CB 0.320 42.939 42.510 0.182 0.000 2.328 57 c HN 0.706 nan 8.230 nan 0.000 0.521 58 D N 1.782 122.262 120.400 0.133 0.000 2.411 58 D HA 0.252 4.893 4.640 0.001 0.000 0.225 58 D C 0.245 176.606 176.300 0.102 0.000 1.156 58 D CA -0.267 53.799 54.000 0.109 0.000 0.874 58 D CB 0.353 41.224 40.800 0.119 0.000 1.034 58 D HN 0.645 nan 8.370 nan 0.000 0.502 59 c N 3.413 122.069 118.600 0.094 0.000 2.396 59 c HA 0.186 4.757 4.570 0.001 0.000 0.334 59 c C 0.686 174.833 174.090 0.095 0.000 1.313 59 c CA -0.509 55.886 56.329 0.109 0.000 1.719 59 c CB -1.860 40.725 42.510 0.125 0.000 1.893 59 c HN 0.502 nan 8.230 nan 0.000 0.589 60 T N 1.811 116.411 114.554 0.077 0.000 2.829 60 T HA 0.120 4.471 4.350 0.001 0.000 0.293 60 T C 0.941 175.674 174.700 0.055 0.000 0.970 60 T CA 0.269 62.405 62.100 0.058 0.000 1.168 60 T CB 0.049 68.946 68.868 0.049 0.000 0.911 60 T HN 0.617 nan 8.240 nan 0.000 0.535 61 R N 0.314 120.842 120.500 0.047 0.000 3.863 61 R HA -0.216 4.124 4.340 0.001 0.000 0.313 61 R C 1.518 177.851 176.300 0.056 0.000 1.202 61 R CA 1.118 57.241 56.100 0.038 0.000 0.852 61 R CB -2.456 27.855 30.300 0.019 0.000 1.292 61 R HN 0.919 nan 8.270 nan 0.000 0.519 62 T N -4.596 110.014 114.554 0.094 0.000 3.054 62 T HA 0.232 4.583 4.350 0.001 0.000 0.259 62 T C 1.504 176.315 174.700 0.186 0.000 1.092 62 T CA 0.851 63.045 62.100 0.157 0.000 1.121 62 T CB 0.788 69.783 68.868 0.211 0.000 0.912 62 T HN 0.669 nan 8.240 nan 0.000 0.489 63 G N 0.214 109.061 108.800 0.077 0.000 2.157 63 G HA2 -0.193 3.768 3.960 0.001 0.000 0.239 63 G HA3 -0.193 3.768 3.960 0.001 0.000 0.239 63 G C -0.199 174.509 174.900 -0.320 0.000 0.982 63 G CA 0.100 45.140 45.100 -0.100 0.000 0.650 63 G HN 0.629 nan 8.290 nan 0.000 0.527 64 Y N 0.492 120.801 120.300 0.016 0.000 2.576 64 Y HA 0.693 5.245 4.550 0.002 0.000 0.346 64 Y C 0.574 176.495 175.900 0.036 0.000 1.018 64 Y CA -0.228 57.883 58.100 0.018 0.000 1.050 64 Y CB 2.306 40.779 38.460 0.022 0.000 1.280 64 Y HN 0.499 nan 8.280 nan 0.000 0.474 65 S N 0.230 116.046 115.700 0.192 0.000 2.745 65 S HA 0.970 5.441 4.470 0.001 0.000 0.306 65 S C -0.154 174.513 174.600 0.111 0.000 1.137 65 S CA -0.328 57.941 58.200 0.114 0.000 0.900 65 S CB 1.767 65.001 63.200 0.057 0.000 1.176 65 S HN 1.755 nan 8.310 nan 0.000 0.520 66 G N 0.754 109.593 108.800 0.066 0.000 2.663 66 G HA2 0.012 3.973 3.960 0.001 0.000 0.686 66 G HA3 0.012 3.973 3.960 0.001 0.000 0.686 66 G C -2.066 172.859 174.900 0.041 0.000 1.288 66 G CA -0.276 44.853 45.100 0.048 0.000 0.836 66 G HN 0.663 nan 8.290 nan 0.000 0.584 67 P HA -0.064 nan 4.420 nan 0.000 0.216 67 P C 0.887 178.220 177.300 0.054 0.000 1.150 67 P CA 1.581 64.674 63.100 -0.011 0.000 0.837 67 P CB 0.015 31.688 31.700 -0.046 0.000 0.786 68 N N -1.733 117.021 118.700 0.090 0.000 2.204 68 N HA 0.090 4.831 4.740 0.001 0.000 0.219 68 N C -0.269 175.301 175.510 0.101 0.000 1.151 68 N CA -0.132 52.996 53.050 0.130 0.000 0.867 68 N CB -0.534 38.029 38.487 0.127 0.000 1.043 68 N HN 0.048 nan 8.380 nan 0.000 0.516 69 c N 0.820 119.487 118.600 0.111 0.000 4.234 69 c HA -0.103 4.468 4.570 0.001 0.000 0.308 69 c C 1.629 175.800 174.090 0.135 0.000 1.286 69 c CA 0.886 57.303 56.329 0.147 0.000 2.102 69 c CB -3.016 39.580 42.510 0.144 0.000 1.311 69 c HN 0.627 nan 8.230 nan 0.000 0.689 70 T N -4.126 110.524 114.554 0.160 0.000 2.954 70 T HA 0.306 4.657 4.350 0.001 0.000 0.252 70 T C 0.373 175.255 174.700 0.303 0.000 0.983 70 T CA -0.062 62.134 62.100 0.159 0.000 0.941 70 T CB 0.358 69.289 68.868 0.105 0.000 1.141 70 T HN 0.449 nan 8.240 nan 0.000 0.500 71 I N 5.107 125.834 120.570 0.263 0.000 2.363 71 I HA 0.347 4.518 4.170 0.001 0.000 0.292 71 I C -2.483 173.752 176.117 0.197 0.000 1.075 71 I CA -3.195 58.223 61.300 0.196 0.000 1.333 71 I CB 0.068 38.124 38.000 0.093 0.000 1.415 71 I HN 0.087 nan 8.210 nan 0.000 0.502 72 P HA 0.229 nan 4.420 nan 0.000 0.279 72 P C -0.180 177.033 177.300 -0.146 0.000 1.239 72 P CA -0.368 62.622 63.100 -0.182 0.000 0.789 72 P CB 1.128 32.804 31.700 -0.041 0.000 0.933 73 E N 0.936 121.004 120.200 -0.219 0.000 2.392 73 E HA 0.042 4.393 4.350 0.001 0.000 0.256 73 E C 1.252 177.813 176.600 -0.064 0.000 1.145 73 E CA -0.526 55.812 56.400 -0.104 0.000 0.929 73 E CB 0.450 30.116 29.700 -0.057 0.000 0.998 73 E HN 0.333 nan 8.360 nan 0.000 0.442 74 I N 0.681 121.191 120.570 -0.099 0.000 2.151 74 I HA -0.274 3.897 4.170 0.001 0.000 0.243 74 I C 1.369 177.408 176.117 -0.130 0.000 1.080 74 I CA 1.758 62.947 61.300 -0.185 0.000 1.339 74 I CB -0.054 37.732 38.000 -0.356 0.000 1.039 74 I HN 0.600 nan 8.210 nan 0.000 0.409 75 W N 0.061 121.369 121.300 0.013 0.000 2.436 75 W HA -0.109 4.551 4.660 0.001 0.000 0.284 75 W C 2.598 179.110 176.519 -0.012 0.000 1.225 75 W CA 1.297 58.648 57.345 0.010 0.000 1.271 75 W CB -0.744 28.707 29.460 -0.015 0.000 1.114 75 W HN 0.017 nan 8.180 nan 0.000 0.559 76 T N -0.994 113.640 114.554 0.132 0.000 2.812 76 T HA -0.257 4.094 4.350 0.001 0.000 0.264 76 T C 1.174 175.874 174.700 0.000 0.000 1.042 76 T CA 1.302 63.380 62.100 -0.036 0.000 1.140 76 T CB -0.838 67.815 68.868 -0.358 0.000 0.870 76 T HN 0.323 nan 8.240 nan 0.000 0.445 77 W N 1.651 122.870 121.300 -0.135 0.000 2.358 77 W HA -0.017 4.643 4.660 0.001 0.000 0.303 77 W C 1.869 178.360 176.519 -0.046 0.000 1.208 77 W CA 0.488 57.781 57.345 -0.086 0.000 1.274 77 W CB -0.392 29.011 29.460 -0.096 0.000 1.138 77 W HN 0.047 nan 8.180 nan 0.000 0.515 78 L N 1.653 122.943 121.223 0.112 0.000 2.056 78 L HA -0.148 4.192 4.340 0.001 0.000 0.207 78 L C 2.723 179.519 176.870 -0.124 0.000 1.078 78 L CA 2.645 57.447 54.840 -0.064 0.000 0.749 78 L CB -1.664 40.470 42.059 0.125 0.000 0.901 78 L HN 0.240 nan 8.230 nan 0.000 0.433 79 R N -0.235 120.257 120.500 -0.014 0.000 2.092 79 R HA -0.144 4.196 4.340 0.001 0.000 0.231 79 R C 2.123 178.376 176.300 -0.077 0.000 1.119 79 R CA 1.863 57.956 56.100 -0.011 0.000 0.970 79 R CB -2.123 28.203 30.300 0.043 0.000 0.864 79 R HN 0.713 nan 8.270 nan 0.000 0.440 80 T N -1.586 112.895 114.554 -0.121 0.000 2.857 80 T HA -0.183 4.168 4.350 0.001 0.000 0.266 80 T C 2.209 176.790 174.700 -0.197 0.000 1.048 80 T CA 1.900 63.928 62.100 -0.120 0.000 1.139 80 T CB -0.684 68.139 68.868 -0.076 0.000 0.874 80 T HN 0.579 nan 8.240 nan 0.000 0.455 81 T N 0.235 114.572 114.554 -0.361 0.000 2.951 81 T HA 0.154 4.505 4.350 0.001 0.000 0.268 81 T C 1.596 176.140 174.700 -0.259 0.000 1.073 81 T CA 0.379 62.249 62.100 -0.383 0.000 1.134 81 T CB -0.450 68.016 68.868 -0.668 0.000 0.884 81 T HN 0.222 nan 8.240 nan 0.000 0.479 82 L N 0.249 121.345 121.223 -0.212 0.000 2.607 82 L HA 0.380 4.721 4.340 0.001 0.000 0.228 82 L C 1.255 178.069 176.870 -0.093 0.000 1.123 82 L CA 0.114 54.873 54.840 -0.134 0.000 0.890 82 L CB -0.232 41.771 42.059 -0.093 0.000 1.103 82 L HN 0.162 nan 8.230 nan 0.000 0.468 83 R N 2.217 122.664 120.500 -0.089 0.000 2.267 83 R HA 0.238 4.579 4.340 0.001 0.000 0.319 83 R C -2.169 174.092 176.300 -0.065 0.000 1.067 83 R CA -1.415 54.657 56.100 -0.048 0.000 0.936 83 R CB 0.566 30.851 30.300 -0.025 0.000 1.006 83 R HN -0.038 nan 8.270 nan 0.000 0.452 84 P HA 0.043 nan 4.420 nan 0.000 0.274 84 P C -0.660 176.652 177.300 0.020 0.000 1.231 84 P CA -0.392 62.657 63.100 -0.084 0.000 0.790 84 P CB 1.057 32.739 31.700 -0.030 0.000 0.951 85 S N 1.765 117.473 115.700 0.013 0.000 2.573 85 S HA 0.081 4.551 4.470 0.001 0.000 0.277 85 S C -1.600 173.083 174.600 0.139 0.000 1.346 85 S CA -0.650 57.587 58.200 0.061 0.000 1.034 85 S CB -0.376 62.848 63.200 0.040 0.000 0.879 85 S HN 0.278 nan 8.310 nan 0.000 0.528 86 P HA -0.054 nan 4.420 nan 0.000 0.217 86 P C 1.359 178.755 177.300 0.159 0.000 1.148 86 P CA 1.222 64.396 63.100 0.124 0.000 0.828 86 P CB -0.102 31.647 31.700 0.081 0.000 0.783 87 S N -1.600 114.184 115.700 0.140 0.000 2.406 87 S HA -0.099 4.372 4.470 0.001 0.000 0.228 87 S C 1.578 176.313 174.600 0.224 0.000 1.020 87 S CA 0.641 58.929 58.200 0.148 0.000 0.965 87 S CB -1.052 62.197 63.200 0.081 0.000 0.798 87 S HN 0.156 nan 8.310 nan 0.000 0.488 88 F N 2.112 122.110 119.950 0.080 0.000 2.146 88 F HA -0.024 4.504 4.527 0.001 0.000 0.298 88 F C 1.792 177.701 175.800 0.181 0.000 1.096 88 F CA 1.191 59.251 58.000 0.100 0.000 1.275 88 F CB -0.201 38.820 39.000 0.035 0.000 1.008 88 F HN 0.093 nan 8.300 nan 0.000 0.480 89 I N -0.510 120.196 120.570 0.226 0.000 2.315 89 I HA -0.303 3.868 4.170 0.001 0.000 0.248 89 I C 2.313 178.461 176.117 0.052 0.000 1.117 89 I CA 1.672 63.039 61.300 0.112 0.000 1.404 89 I CB -0.645 37.450 38.000 0.158 0.000 1.071 89 I HN 0.196 nan 8.210 nan 0.000 0.419 90 H N 0.351 119.453 119.070 0.053 0.000 2.423 90 H HA -0.237 4.319 4.556 0.001 0.000 0.297 90 H C 1.969 177.315 175.328 0.030 0.000 1.075 90 H CA 1.680 57.768 56.048 0.068 0.000 1.342 90 H CB -0.072 29.759 29.762 0.115 0.000 1.395 90 H HN 0.314 nan 8.280 nan 0.000 0.530 91 F N -0.058 119.857 119.950 -0.058 0.000 2.113 91 F HA -0.128 4.399 4.527 0.001 0.000 0.297 91 F C 1.761 177.467 175.800 -0.156 0.000 1.103 91 F CA 0.933 58.851 58.000 -0.137 0.000 1.248 91 F CB -0.441 38.403 39.000 -0.261 0.000 0.999 91 F HN 0.167 nan 8.300 nan 0.000 0.475 92 L N 0.290 121.347 121.223 -0.275 0.000 2.083 92 L HA -0.167 4.174 4.340 0.001 0.000 0.209 92 L C 2.200 179.046 176.870 -0.040 0.000 1.083 92 L CA 1.556 56.255 54.840 -0.235 0.000 0.752 92 L CB -0.971 40.982 42.059 -0.176 0.000 0.899 92 L HN 0.211 nan 8.230 nan 0.000 0.433 93 L N -1.288 119.793 121.223 -0.237 0.000 2.478 93 L HA -0.077 4.264 4.340 0.001 0.000 0.223 93 L C 1.640 178.056 176.870 -0.756 0.000 1.140 93 L CA 1.197 55.699 54.840 -0.563 0.000 0.842 93 L CB -0.516 41.068 42.059 -0.792 0.000 0.953 93 L HN 0.420 nan 8.230 nan 0.000 0.452 94 T N -5.563 108.548 114.554 -0.739 0.000 3.044 94 T HA 0.210 4.561 4.350 0.001 0.000 0.260 94 T C 0.186 173.796 174.700 -1.816 0.000 1.019 94 T CA -0.291 61.138 62.100 -1.118 0.000 0.921 94 T CB -0.030 68.404 68.868 -0.723 0.000 1.053 94 T HN 0.133 nan 8.240 nan 0.000 0.533 95 H N -0.003 118.342 119.070 -1.209 0.000 2.895 95 H HA 0.608 5.165 4.556 0.001 0.000 0.373 95 H C 0.464 175.597 175.328 -0.326 0.000 1.174 95 H CA -0.149 55.374 56.048 -0.875 0.000 1.144 95 H CB 1.615 30.816 29.762 -0.936 0.000 1.793 95 H HN 0.330 nan 8.280 nan 0.000 0.551 96 G N 2.155 110.965 108.800 0.018 0.000 2.587 96 G HA2 -0.236 3.725 3.960 0.001 0.000 0.274 96 G HA3 -0.236 3.725 3.960 0.001 0.000 0.274 96 G C 0.993 176.110 174.900 0.360 0.000 1.046 96 G CA -0.217 44.961 45.100 0.129 0.000 1.308 96 G HN 0.516 nan 8.290 nan 0.000 0.529 97 R N -0.122 120.554 120.500 0.294 0.000 2.096 97 R HA -0.077 4.264 4.340 0.001 0.000 0.235 97 R C 2.221 178.679 176.300 0.263 0.000 1.127 97 R CA 1.806 58.066 56.100 0.267 0.000 0.968 97 R CB -0.212 30.064 30.300 -0.040 0.000 0.861 97 R HN 0.732 nan 8.270 nan 0.000 0.440 98 W N 0.531 121.913 121.300 0.138 0.000 2.350 98 W HA -0.153 4.508 4.660 0.001 0.000 0.289 98 W C 2.048 178.591 176.519 0.040 0.000 1.215 98 W CA 0.403 57.793 57.345 0.074 0.000 1.236 98 W CB -0.939 28.539 29.460 0.030 0.000 1.130 98 W HN 0.090 nan 8.180 nan 0.000 0.541 99 L N -1.281 120.051 121.223 0.182 0.000 2.131 99 L HA -0.051 4.290 4.340 0.001 0.000 0.206 99 L C 1.909 178.721 176.870 -0.097 0.000 1.087 99 L CA 1.824 56.612 54.840 -0.085 0.000 0.767 99 L CB -0.872 40.984 42.059 -0.338 0.000 0.917 99 L HN -0.106 nan 8.230 nan 0.000 0.441 100 W N -0.365 121.035 121.300 0.167 0.000 2.576 100 W HA -0.026 4.635 4.660 0.002 0.000 0.270 100 W C 2.106 178.698 176.519 0.120 0.000 1.255 100 W CA 0.291 57.718 57.345 0.137 0.000 1.314 100 W CB -0.092 29.468 29.460 0.165 0.000 1.101 100 W HN 0.117 nan 8.180 nan 0.000 0.595 101 D N -0.101 120.496 120.400 0.328 0.000 2.144 101 D HA -0.196 4.445 4.640 0.001 0.000 0.199 101 D C 1.751 178.170 176.300 0.198 0.000 0.984 101 D CA 1.200 55.337 54.000 0.228 0.000 0.834 101 D CB -0.724 40.212 40.800 0.228 0.000 0.955 101 D HN 0.118 nan 8.370 nan 0.000 0.465 102 F N 1.244 121.235 119.950 0.069 0.000 2.084 102 F HA -0.188 4.340 4.527 0.001 0.000 0.296 102 F C 2.297 178.086 175.800 -0.018 0.000 1.111 102 F CA 0.982 58.988 58.000 0.010 0.000 1.224 102 F CB -0.255 38.729 39.000 -0.027 0.000 0.991 102 F HN -0.242 nan 8.300 nan 0.000 0.471 103 V N 1.060 121.074 119.914 0.167 0.000 2.332 103 V HA -0.351 3.770 4.120 0.001 0.000 0.248 103 V C 2.089 178.193 176.094 0.016 0.000 1.055 103 V CA 2.228 64.550 62.300 0.037 0.000 1.038 103 V CB -0.799 31.015 31.823 -0.014 0.000 0.651 103 V HN 0.399 nan 8.190 nan 0.000 0.450 104 N N 0.443 119.206 118.700 0.105 0.000 2.309 104 N HA -0.068 4.673 4.740 0.001 0.000 0.182 104 N C 1.521 177.030 175.510 -0.001 0.000 1.018 104 N CA 1.444 54.541 53.050 0.078 0.000 0.876 104 N CB -0.256 38.299 38.487 0.114 0.000 0.972 104 N HN 0.517 nan 8.380 nan 0.000 0.434 105 A N 0.196 122.978 122.820 -0.063 0.000 2.307 105 A HA 0.135 4.456 4.320 0.001 0.000 0.218 105 A C 1.013 178.504 177.584 -0.155 0.000 1.228 105 A CA 0.169 52.145 52.037 -0.102 0.000 0.857 105 A CB -0.206 18.722 19.000 -0.119 0.000 0.897 105 A HN 0.357 nan 8.150 nan 0.000 0.495 106 T N -4.567 109.883 114.554 -0.173 0.000 2.762 106 T HA 0.491 4.842 4.350 0.001 0.000 0.272 106 T C 0.759 175.430 174.700 -0.048 0.000 0.982 106 T CA 0.006 62.014 62.100 -0.153 0.000 1.013 106 T CB 0.296 68.957 68.868 -0.346 0.000 1.309 106 T HN 0.493 nan 8.240 nan 0.000 0.572 107 F N -0.351 119.571 119.950 -0.046 0.000 2.558 107 F HA 0.302 4.830 4.527 0.002 0.000 0.298 107 F C 1.753 177.557 175.800 0.008 0.000 1.119 107 F CA 0.100 58.091 58.000 -0.014 0.000 1.451 107 F CB -1.038 37.956 39.000 -0.009 0.000 1.091 107 F HN 0.342 nan 8.300 nan 0.000 0.563 108 I N 0.846 120.990 120.570 -0.710 0.000 2.361 108 I HA -0.241 3.930 4.170 0.001 0.000 0.251 108 I C 2.812 178.849 176.117 -0.132 0.000 1.133 108 I CA 1.315 62.328 61.300 -0.478 0.000 1.413 108 I CB -0.668 37.054 38.000 -0.463 0.000 1.073 108 I HN 0.191 nan 8.210 nan 0.000 0.424 109 R N 1.489 121.950 120.500 -0.065 0.000 2.096 109 R HA -0.234 4.107 4.340 0.001 0.000 0.240 109 R C 1.623 177.946 176.300 0.038 0.000 1.139 109 R CA 2.523 58.643 56.100 0.033 0.000 0.952 109 R CB -0.256 30.068 30.300 0.040 0.000 0.854 109 R HN 0.359 nan 8.270 nan 0.000 0.436 110 D N -1.184 119.237 120.400 0.035 0.000 2.183 110 D HA -0.069 4.572 4.640 0.001 0.000 0.203 110 D C 1.643 177.973 176.300 0.050 0.000 0.969 110 D CA 1.588 55.614 54.000 0.042 0.000 0.842 110 D CB 0.085 40.917 40.800 0.054 0.000 0.957 110 D HN 0.268 nan 8.370 nan 0.000 0.484 111 T N 0.406 114.997 114.554 0.061 0.000 2.737 111 T HA -0.046 4.305 4.350 0.001 0.000 0.265 111 T C 2.037 176.767 174.700 0.050 0.000 1.038 111 T CA 0.629 62.771 62.100 0.069 0.000 1.144 111 T CB -0.221 68.698 68.868 0.085 0.000 0.866 111 T HN 0.111 nan 8.240 nan 0.000 0.434 112 L N -0.068 121.181 121.223 0.043 0.000 2.109 112 L HA 0.014 4.355 4.340 0.001 0.000 0.207 112 L C 2.622 179.525 176.870 0.054 0.000 1.086 112 L CA 0.850 55.725 54.840 0.059 0.000 0.760 112 L CB -0.485 41.632 42.059 0.098 0.000 0.910 112 L HN 0.238 nan 8.230 nan 0.000 0.437 113 M N 0.174 119.806 119.600 0.052 0.000 2.117 113 M HA -0.213 4.268 4.480 0.001 0.000 0.262 113 M C 2.368 178.689 176.300 0.035 0.000 1.065 113 M CA 1.741 57.069 55.300 0.048 0.000 1.114 113 M CB -0.380 32.246 32.600 0.044 0.000 1.361 113 M HN 0.001 nan 8.290 nan 0.000 0.408 114 R N -0.554 119.961 120.500 0.024 0.000 2.091 114 R HA -0.181 4.160 4.340 0.001 0.000 0.238 114 R C 2.026 178.344 176.300 0.030 0.000 1.136 114 R CA 1.773 57.881 56.100 0.014 0.000 0.959 114 R CB -0.581 29.729 30.300 0.017 0.000 0.856 114 R HN 0.422 nan 8.270 nan 0.000 0.437 115 L N 0.250 121.497 121.223 0.041 0.000 2.046 115 L HA -0.120 4.221 4.340 0.001 0.000 0.208 115 L C 2.164 179.067 176.870 0.055 0.000 1.077 115 L CA 1.398 56.267 54.840 0.048 0.000 0.747 115 L CB -0.352 41.736 42.059 0.049 0.000 0.896 115 L HN 0.040 nan 8.230 nan 0.000 0.432 116 V N -0.849 119.098 119.914 0.056 0.000 2.332 116 V HA -0.289 3.832 4.120 0.001 0.000 0.248 116 V C 2.476 178.621 176.094 0.085 0.000 1.055 116 V CA 1.348 63.691 62.300 0.072 0.000 1.038 116 V CB -0.543 31.324 31.823 0.075 0.000 0.651 116 V HN 0.314 nan 8.190 nan 0.000 0.450 117 L N 0.592 121.855 121.223 0.067 0.000 1.976 117 L HA -0.158 4.183 4.340 0.001 0.000 0.209 117 L C 2.896 179.821 176.870 0.092 0.000 1.071 117 L CA 3.006 57.882 54.840 0.061 0.000 0.746 117 L CB -1.950 40.099 42.059 -0.016 0.000 0.890 117 L HN 0.648 nan 8.230 nan 0.000 0.432 118 T N -3.035 111.564 114.554 0.075 0.000 2.674 118 T HA -0.128 4.223 4.350 0.001 0.000 0.265 118 T C 1.985 176.741 174.700 0.093 0.000 1.039 118 T CA 1.529 63.692 62.100 0.104 0.000 1.150 118 T CB -0.987 67.925 68.868 0.074 0.000 0.864 118 T HN 0.073 nan 8.240 nan 0.000 0.427 119 V N 1.564 121.522 119.914 0.073 0.000 2.358 119 V HA -0.086 4.035 4.120 0.001 0.000 0.246 119 V C 3.049 179.183 176.094 0.066 0.000 1.047 119 V CA 1.771 64.109 62.300 0.062 0.000 1.035 119 V CB -0.757 31.102 31.823 0.061 0.000 0.658 119 V HN 0.283 nan 8.190 nan 0.000 0.452 120 R N 1.265 121.815 120.500 0.084 0.000 2.070 120 R HA -0.118 4.223 4.340 0.001 0.000 0.232 120 R C 2.683 179.017 176.300 0.057 0.000 1.138 120 R CA 1.838 57.989 56.100 0.085 0.000 0.936 120 R CB -0.913 29.452 30.300 0.108 0.000 0.839 120 R HN 0.692 nan 8.270 nan 0.000 0.429 121 S N 0.208 115.961 115.700 0.089 0.000 2.447 121 S HA -0.051 4.419 4.470 0.001 0.000 0.233 121 S C 1.533 176.124 174.600 -0.015 0.000 1.006 121 S CA 0.975 59.218 58.200 0.073 0.000 0.957 121 S CB -0.340 63.014 63.200 0.256 0.000 0.773 121 S HN 0.288 nan 8.310 nan 0.000 0.507 122 N N 1.053 119.754 118.700 0.001 0.000 2.512 122 N HA 0.098 4.839 4.740 0.001 0.000 0.183 122 N C 1.095 176.558 175.510 -0.077 0.000 1.073 122 N CA 0.406 53.430 53.050 -0.044 0.000 0.911 122 N CB -0.108 38.372 38.487 -0.012 0.000 0.964 122 N HN 0.370 nan 8.380 nan 0.000 0.447 123 L N 0.746 121.917 121.223 -0.086 0.000 2.418 123 L HA 0.108 4.449 4.340 0.001 0.000 0.218 123 L C 0.387 177.117 176.870 -0.232 0.000 1.125 123 L CA 0.658 55.406 54.840 -0.154 0.000 0.835 123 L CB -0.126 41.852 42.059 -0.134 0.000 0.953 123 L HN -0.003 nan 8.230 nan 0.000 0.454 124 I N 2.118 122.571 120.570 -0.195 0.000 2.331 124 I HA 0.251 4.421 4.170 0.001 0.000 0.292 124 I C -1.906 174.121 176.117 -0.151 0.000 0.998 124 I CA -2.746 58.440 61.300 -0.190 0.000 1.267 124 I CB 0.708 38.603 38.000 -0.174 0.000 1.386 124 I HN -0.123 nan 8.210 nan 0.000 0.476 125 P HA 0.109 nan 4.420 nan 0.000 0.267 125 P C -0.385 176.833 177.300 -0.136 0.000 1.205 125 P CA -0.043 62.972 63.100 -0.141 0.000 0.765 125 P CB 1.102 32.703 31.700 -0.165 0.000 0.828 126 S N 3.293 118.905 115.700 -0.145 0.000 2.689 126 S HA 0.451 4.922 4.470 0.001 0.000 0.274 126 S C -2.727 171.800 174.600 -0.122 0.000 1.176 126 S CA -1.180 56.935 58.200 -0.143 0.000 1.014 126 S CB 0.629 63.704 63.200 -0.208 0.000 1.071 126 S HN 0.252 nan 8.310 nan 0.000 0.478 127 P HA 0.301 nan 4.420 nan 0.000 0.269 127 P C -2.654 174.609 177.300 -0.062 0.000 1.215 127 P CA -0.981 62.110 63.100 -0.015 0.000 0.780 127 P CB -0.576 31.183 31.700 0.098 0.000 0.898 128 P HA -0.042 nan 4.420 nan 0.000 0.269 128 P C 0.647 177.842 177.300 -0.174 0.000 1.217 128 P CA 0.157 63.185 63.100 -0.120 0.000 0.783 128 P CB 0.403 32.030 31.700 -0.123 0.000 0.898 129 T N -0.684 113.690 114.554 -0.301 0.000 3.535 129 T HA 0.140 4.491 4.350 0.001 0.000 0.223 129 T C 0.612 175.041 174.700 -0.453 0.000 0.933 129 T CA 0.371 62.139 62.100 -0.554 0.000 1.445 129 T CB -0.749 67.435 68.868 -1.139 0.000 1.286 129 T HN 0.365 nan 8.240 nan 0.000 0.436 130 Y N 2.916 123.183 120.300 -0.055 0.000 2.519 130 Y HA 0.682 5.233 4.550 0.001 0.000 0.324 130 Y C 0.543 176.380 175.900 -0.105 0.000 1.214 130 Y CA -1.294 56.752 58.100 -0.091 0.000 1.260 130 Y CB 0.886 39.311 38.460 -0.059 0.000 1.311 130 Y HN 0.582 nan 8.280 nan 0.000 0.505 131 N N -0.615 118.088 118.700 0.006 0.000 3.387 131 N HA 0.200 4.941 4.740 0.001 0.000 0.322 131 N C -0.163 175.299 175.510 -0.080 0.000 1.588 131 N CA -0.690 52.311 53.050 -0.082 0.000 0.778 131 N CB 0.187 38.476 38.487 -0.329 0.000 1.883 131 N HN 0.581 nan 8.380 nan 0.000 0.628 132 I N -0.487 120.046 120.570 -0.062 0.000 2.493 132 I HA 0.122 4.293 4.170 0.001 0.000 0.254 132 I C 1.774 177.845 176.117 -0.076 0.000 1.160 132 I CA 1.539 62.813 61.300 -0.043 0.000 1.445 132 I CB -0.712 37.255 38.000 -0.056 0.000 1.086 132 I HN 0.705 nan 8.210 nan 0.000 0.433 133 A N -1.285 121.413 122.820 -0.204 0.000 1.984 133 A HA 0.080 4.401 4.320 0.001 0.000 0.214 133 A C 0.551 177.816 177.584 -0.532 0.000 1.173 133 A CA 0.582 52.401 52.037 -0.363 0.000 0.673 133 A CB -0.295 18.407 19.000 -0.497 0.000 0.830 133 A HN 0.467 nan 8.150 nan 0.000 0.453 134 H N 0.225 119.132 119.070 -0.271 0.000 2.589 134 H HA 0.293 4.850 4.556 0.001 0.000 0.335 134 H C -1.231 173.868 175.328 -0.382 0.000 1.019 134 H CA -0.853 54.850 56.048 -0.575 0.000 1.213 134 H CB 1.196 30.379 29.762 -0.966 0.000 1.472 134 H HN 0.233 nan 8.280 nan 0.000 0.508 135 D N 3.487 123.811 120.400 -0.128 0.000 2.561 135 D HA 0.065 4.706 4.640 0.001 0.000 0.232 135 D C -0.124 176.135 176.300 -0.069 0.000 1.198 135 D CA 0.289 54.202 54.000 -0.145 0.000 0.826 135 D CB 0.102 40.854 40.800 -0.081 0.000 0.992 135 D HN 0.517 nan 8.370 nan 0.000 0.490 136 Y N -2.812 117.590 120.300 0.171 0.000 2.656 136 Y HA 0.460 5.011 4.550 0.001 0.000 0.334 136 Y C -0.661 175.425 175.900 0.310 0.000 1.179 136 Y CA -1.451 56.801 58.100 0.254 0.000 1.050 136 Y CB 0.510 39.027 38.460 0.094 0.000 1.308 136 Y HN -0.320 nan 8.280 nan 0.000 0.456 137 I N 3.313 124.092 120.570 0.348 0.000 2.556 137 I HA 0.403 4.573 4.170 0.001 0.000 0.284 137 I C 0.105 176.298 176.117 0.126 0.000 1.114 137 I CA 0.466 61.840 61.300 0.122 0.000 1.418 137 I CB 0.828 38.866 38.000 0.063 0.000 1.394 137 I HN 0.799 nan 8.210 nan 0.000 0.552 138 S N 5.391 121.087 115.700 -0.005 0.000 2.638 138 S HA 0.257 4.728 4.470 0.001 0.000 0.274 138 S C 0.099 174.738 174.600 0.066 0.000 1.157 138 S CA -0.910 57.295 58.200 0.008 0.000 0.826 138 S CB 1.340 64.389 63.200 -0.251 0.000 1.139 138 S HN 0.800 nan 8.310 nan 0.000 0.474 139 W N 0.756 122.042 121.300 -0.024 0.000 2.467 139 W HA 0.024 4.684 4.660 0.001 0.000 0.275 139 W C 1.419 177.996 176.519 0.096 0.000 1.239 139 W CA 1.758 59.136 57.345 0.055 0.000 1.266 139 W CB -0.001 29.484 29.460 0.043 0.000 1.112 139 W HN 0.978 nan 8.180 nan 0.000 0.576 140 E N 0.012 120.302 120.200 0.150 0.000 2.152 140 E HA -0.158 4.193 4.350 0.001 0.000 0.192 140 E C 2.242 178.839 176.600 -0.006 0.000 0.983 140 E CA 1.382 57.854 56.400 0.120 0.000 0.818 140 E CB -0.420 29.399 29.700 0.199 0.000 0.758 140 E HN -0.022 nan 8.360 nan 0.000 0.467 141 S N -1.347 114.306 115.700 -0.079 0.000 2.461 141 S HA -0.037 4.434 4.470 0.001 0.000 0.228 141 S C 1.502 176.017 174.600 -0.142 0.000 1.005 141 S CA 0.556 58.659 58.200 -0.161 0.000 0.942 141 S CB -0.321 62.794 63.200 -0.141 0.000 0.776 141 S HN 0.415 nan 8.310 nan 0.000 0.514 142 F N 2.014 121.770 119.950 -0.323 0.000 2.262 142 F HA 0.124 4.652 4.527 0.001 0.000 0.292 142 F C 2.419 177.977 175.800 -0.402 0.000 1.081 142 F CA 1.540 59.283 58.000 -0.427 0.000 1.355 142 F CB -0.487 38.117 39.000 -0.660 0.000 1.069 142 F HN 0.326 nan 8.300 nan 0.000 0.506 143 S N -0.575 114.862 115.700 -0.438 0.000 2.421 143 S HA 0.001 4.472 4.470 0.001 0.000 0.224 143 S C 0.970 175.474 174.600 -0.161 0.000 1.035 143 S CA 0.157 58.142 58.200 -0.359 0.000 0.953 143 S CB -0.759 62.374 63.200 -0.112 0.000 0.810 143 S HN 0.309 nan 8.310 nan 0.000 0.497 144 N N 2.934 121.620 118.700 -0.023 0.000 2.448 144 N HA 0.124 4.865 4.740 0.001 0.000 0.250 144 N C 0.803 176.396 175.510 0.139 0.000 1.136 144 N CA 0.088 53.218 53.050 0.135 0.000 0.953 144 N CB 1.186 39.886 38.487 0.355 0.000 1.251 144 N HN 0.369 nan 8.380 nan 0.000 0.502 145 V N 0.841 120.787 119.914 0.053 0.000 3.573 145 V HA 0.065 4.186 4.120 0.001 0.000 0.270 145 V C 1.351 177.577 176.094 0.219 0.000 1.221 145 V CA 0.505 62.857 62.300 0.087 0.000 1.163 145 V CB -0.471 31.386 31.823 0.057 0.000 0.847 145 V HN 0.372 nan 8.190 nan 0.000 0.468 146 S N -0.865 114.913 115.700 0.131 0.000 2.607 146 S HA 0.233 4.703 4.470 0.001 0.000 0.224 146 S C 0.281 174.873 174.600 -0.012 0.000 0.969 146 S CA 0.150 58.374 58.200 0.042 0.000 0.927 146 S CB -0.406 62.802 63.200 0.013 0.000 0.772 146 S HN 0.700 nan 8.310 nan 0.000 0.533 147 Y N 0.485 120.789 120.300 0.006 0.000 2.310 147 Y HA 0.369 4.920 4.550 0.001 0.000 0.326 147 Y C 0.021 175.859 175.900 -0.102 0.000 1.151 147 Y CA -1.102 56.902 58.100 -0.159 0.000 1.195 147 Y CB 0.415 38.786 38.460 -0.148 0.000 1.210 147 Y HN 0.050 nan 8.280 nan 0.000 0.483 148 Y N 1.074 121.440 120.300 0.109 0.000 2.359 148 Y HA 0.147 4.698 4.550 0.001 0.000 0.330 148 Y C 0.939 176.885 175.900 0.076 0.000 1.143 148 Y CA -0.244 57.929 58.100 0.121 0.000 1.318 148 Y CB 0.864 39.359 38.460 0.058 0.000 1.234 148 Y HN 0.540 nan 8.280 nan 0.000 0.522 149 T N 3.836 118.531 114.554 0.234 0.000 2.788 149 T HA 0.677 5.028 4.350 0.001 0.000 0.280 149 T C -0.592 174.193 174.700 0.143 0.000 0.984 149 T CA -0.711 61.459 62.100 0.117 0.000 0.972 149 T CB 0.375 69.268 68.868 0.040 0.000 1.039 149 T HN 0.767 nan 8.240 nan 0.000 0.530 150 R N 1.697 122.281 120.500 0.139 0.000 2.626 150 R HA 0.488 4.829 4.340 0.001 0.000 0.274 150 R C 0.341 176.783 176.300 0.237 0.000 1.031 150 R CA -0.926 55.289 56.100 0.191 0.000 0.898 150 R CB 0.704 31.109 30.300 0.175 0.000 1.222 150 R HN 0.324 nan 8.270 nan 0.000 0.455 151 I N 1.341 122.079 120.570 0.281 0.000 2.235 151 I HA 0.053 4.224 4.170 0.001 0.000 0.241 151 I C 0.955 177.197 176.117 0.207 0.000 1.085 151 I CA 0.790 62.219 61.300 0.216 0.000 1.378 151 I CB -0.681 37.463 38.000 0.240 0.000 1.076 151 I HN 0.544 nan 8.210 nan 0.000 0.415 152 L N 2.745 124.050 121.223 0.138 0.000 2.325 152 L HA 0.317 4.658 4.340 0.001 0.000 0.279 152 L C -2.112 174.761 176.870 0.006 0.000 1.054 152 L CA -1.716 53.099 54.840 -0.042 0.000 0.804 152 L CB 1.297 43.082 42.059 -0.456 0.000 1.200 152 L HN -0.056 nan 8.230 nan 0.000 0.436 153 P HA 0.049 nan 4.420 nan 0.000 0.272 153 P C -0.555 176.700 177.300 -0.075 0.000 1.240 153 P CA -0.446 62.511 63.100 -0.237 0.000 0.791 153 P CB 0.750 32.183 31.700 -0.444 0.000 0.978 154 S N 0.155 115.833 115.700 -0.037 0.000 2.584 154 S HA 0.118 4.589 4.470 0.001 0.000 0.270 154 S C 0.351 174.981 174.600 0.049 0.000 1.346 154 S CA -0.731 57.482 58.200 0.022 0.000 1.018 154 S CB -0.240 62.974 63.200 0.023 0.000 0.899 154 S HN 0.256 nan 8.310 nan 0.000 0.542 155 V N 3.927 123.895 119.914 0.090 0.000 2.450 155 V HA 0.195 4.316 4.120 0.001 0.000 0.281 155 V C -1.897 174.228 176.094 0.051 0.000 1.019 155 V CA -1.251 61.118 62.300 0.116 0.000 1.062 155 V CB -0.577 31.331 31.823 0.143 0.000 0.979 155 V HN 0.777 nan 8.190 nan 0.000 0.477 156 P HA 0.100 nan 4.420 nan 0.000 0.265 156 P C 0.573 177.873 177.300 -0.001 0.000 1.187 156 P CA 0.057 63.156 63.100 -0.002 0.000 0.766 156 P CB 0.409 32.088 31.700 -0.035 0.000 0.820 157 R N 1.550 122.056 120.500 0.010 0.000 2.323 157 R HA -0.041 4.300 4.340 0.001 0.000 0.198 157 R C 0.183 176.485 176.300 0.003 0.000 0.988 157 R CA 0.895 57.003 56.100 0.013 0.000 1.041 157 R CB -0.330 29.984 30.300 0.023 0.000 0.926 157 R HN 0.585 nan 8.270 nan 0.000 0.476 158 D N -1.551 118.842 120.400 -0.010 0.000 2.462 158 D HA 0.058 4.699 4.640 0.001 0.000 0.221 158 D C -0.264 176.012 176.300 -0.039 0.000 1.173 158 D CA -0.423 53.567 54.000 -0.017 0.000 0.831 158 D CB -0.196 40.597 40.800 -0.011 0.000 1.001 158 D HN -0.055 nan 8.370 nan 0.000 0.499 159 c N 1.367 119.935 118.600 -0.053 0.000 2.463 159 c HA 0.291 4.862 4.570 0.001 0.000 0.380 159 c C -0.625 173.422 174.090 -0.072 0.000 1.264 159 c CA -0.999 55.273 56.329 -0.095 0.000 2.161 159 c CB 1.486 43.925 42.510 -0.119 0.000 2.515 159 c HN 0.222 nan 8.230 nan 0.000 0.565 160 P HA -0.068 nan 4.420 nan 0.000 0.216 160 P C 0.570 177.848 177.300 -0.037 0.000 1.153 160 P CA 1.439 64.501 63.100 -0.062 0.000 0.858 160 P CB -0.062 31.587 31.700 -0.085 0.000 0.789 161 T N -5.963 108.564 114.554 -0.044 0.000 2.888 161 T HA 0.418 4.769 4.350 0.001 0.000 0.284 161 T C -2.353 172.356 174.700 0.015 0.000 1.017 161 T CA -2.398 59.702 62.100 -0.001 0.000 1.022 161 T CB 1.858 70.737 68.868 0.018 0.000 1.013 161 T HN -0.231 nan 8.240 nan 0.000 0.465 162 P HA 0.053 nan 4.420 nan 0.000 0.228 162 P C 0.961 178.318 177.300 0.095 0.000 1.151 162 P CA 0.782 63.920 63.100 0.062 0.000 0.770 162 P CB 0.049 31.792 31.700 0.071 0.000 0.786 163 M N -2.401 117.267 119.600 0.112 0.000 2.356 163 M HA 0.336 4.817 4.480 0.001 0.000 0.262 163 M C 1.146 177.558 176.300 0.186 0.000 1.097 163 M CA 0.350 55.748 55.300 0.164 0.000 0.991 163 M CB 0.184 32.895 32.600 0.185 0.000 1.450 163 M HN 0.057 nan 8.290 nan 0.000 0.495 164 G N 0.949 109.790 108.800 0.067 0.000 1.920 164 G HA2 -0.234 3.727 3.960 0.001 0.000 0.210 164 G HA3 -0.234 3.727 3.960 0.001 0.000 0.210 164 G C 0.529 175.304 174.900 -0.207 0.000 1.302 164 G CA 0.524 45.567 45.100 -0.095 0.000 1.333 164 G HN 0.269 nan 8.290 nan 0.000 0.452 165 T N -1.612 112.818 114.554 -0.207 0.000 3.010 165 T HA 0.389 4.740 4.350 0.001 0.000 0.252 165 T C 0.703 175.358 174.700 -0.075 0.000 0.963 165 T CA 0.832 62.786 62.100 -0.243 0.000 0.952 165 T CB 0.425 68.992 68.868 -0.501 0.000 1.182 165 T HN 0.463 nan 8.240 nan 0.000 0.495 166 K N 2.216 122.615 120.400 -0.002 0.000 2.154 166 K HA 0.609 4.930 4.320 0.001 0.000 0.264 166 K C 0.966 177.619 176.600 0.088 0.000 1.008 166 K CA 0.645 56.966 56.287 0.056 0.000 0.937 166 K CB 0.717 33.266 32.500 0.082 0.000 1.002 166 K HN 0.659 nan 8.250 nan 0.000 0.469 167 G N 0.526 109.390 108.800 0.106 0.000 2.610 167 G HA2 -0.213 3.748 3.960 0.001 0.000 0.304 167 G HA3 -0.213 3.748 3.960 0.001 0.000 0.304 167 G C -0.901 174.059 174.900 0.100 0.000 1.309 167 G CA -0.760 44.424 45.100 0.140 0.000 0.906 167 G HN 0.392 nan 8.290 nan 0.000 0.521 168 K N -0.356 120.105 120.400 0.102 0.000 2.109 168 K HA 0.602 4.923 4.320 0.001 0.000 0.243 168 K C 1.861 178.491 176.600 0.049 0.000 1.006 168 K CA 0.234 56.558 56.287 0.061 0.000 0.917 168 K CB 1.411 33.936 32.500 0.042 0.000 1.081 168 K HN 1.380 nan 8.250 nan 0.000 0.468 169 K N -1.386 119.032 120.400 0.030 0.000 2.148 169 K HA -0.009 4.311 4.320 0.001 0.000 0.204 169 K C 1.112 177.726 176.600 0.023 0.000 1.050 169 K CA 1.275 57.575 56.287 0.023 0.000 0.942 169 K CB -1.051 31.457 32.500 0.014 0.000 0.724 169 K HN 0.750 nan 8.250 nan 0.000 0.446 170 Q N 0.551 120.360 119.800 0.015 0.000 2.331 170 Q HA 0.686 5.026 4.340 0.001 0.000 0.267 170 Q C -0.449 175.548 176.000 -0.005 0.000 1.006 170 Q CA -0.944 54.863 55.803 0.006 0.000 0.818 170 Q CB 1.074 29.807 28.738 -0.008 0.000 1.276 170 Q HN 0.353 nan 8.270 nan 0.000 0.450 171 L N 2.827 124.054 121.223 0.007 0.000 2.452 171 L HA 0.453 4.793 4.340 0.001 0.000 0.267 171 L C -1.802 175.016 176.870 -0.087 0.000 1.188 171 L CA -1.300 53.525 54.840 -0.026 0.000 0.821 171 L CB 0.533 42.625 42.059 0.056 0.000 1.102 171 L HN 0.589 nan 8.230 nan 0.000 0.470 172 P HA 0.004 nan 4.420 nan 0.000 0.267 172 P C -0.928 176.362 177.300 -0.016 0.000 1.200 172 P CA -0.362 62.650 63.100 -0.148 0.000 0.772 172 P CB 0.288 31.817 31.700 -0.284 0.000 0.855 173 D N 1.240 121.665 120.400 0.041 0.000 2.493 173 D HA 0.066 4.707 4.640 0.001 0.000 0.240 173 D C 1.136 177.512 176.300 0.128 0.000 1.142 173 D CA 0.284 54.332 54.000 0.079 0.000 0.872 173 D CB 0.723 41.571 40.800 0.080 0.000 1.173 173 D HN 0.312 nan 8.370 nan 0.000 0.467 174 A N 3.552 126.430 122.820 0.097 0.000 2.015 174 A HA -0.065 4.256 4.320 0.001 0.000 0.219 174 A C 2.027 179.675 177.584 0.108 0.000 1.163 174 A CA 2.025 54.123 52.037 0.100 0.000 0.646 174 A CB -0.798 18.248 19.000 0.077 0.000 0.806 174 A HN 0.695 nan 8.150 nan 0.000 0.448 175 E N -1.282 118.986 120.200 0.114 0.000 2.112 175 E HA -0.066 4.285 4.350 0.001 0.000 0.190 175 E C 1.808 178.488 176.600 0.133 0.000 0.979 175 E CA 1.134 57.600 56.400 0.109 0.000 0.814 175 E CB -0.783 28.976 29.700 0.099 0.000 0.762 175 E HN 0.692 nan 8.360 nan 0.000 0.460 176 F N 0.053 120.012 119.950 0.015 0.000 2.206 176 F HA 0.092 4.620 4.527 0.001 0.000 0.298 176 F C 2.093 177.912 175.800 0.032 0.000 1.090 176 F CA 1.129 59.130 58.000 0.000 0.000 1.323 176 F CB -0.024 38.970 39.000 -0.010 0.000 1.028 176 F HN 0.215 nan 8.300 nan 0.000 0.492 177 L N -0.461 120.845 121.223 0.138 0.000 2.156 177 L HA -0.118 4.223 4.340 0.001 0.000 0.208 177 L C 2.368 179.328 176.870 0.150 0.000 1.095 177 L CA 1.703 56.663 54.840 0.199 0.000 0.770 177 L CB -0.799 41.386 42.059 0.210 0.000 0.914 177 L HN 0.027 nan 8.230 nan 0.000 0.439 178 S N -0.801 114.942 115.700 0.071 0.000 2.414 178 S HA -0.091 4.380 4.470 0.001 0.000 0.227 178 S C 2.307 176.885 174.600 -0.037 0.000 1.022 178 S CA 1.086 59.314 58.200 0.046 0.000 0.958 178 S CB -0.378 62.858 63.200 0.060 0.000 0.797 178 S HN 0.610 nan 8.310 nan 0.000 0.493 179 R N 1.850 122.278 120.500 -0.120 0.000 2.075 179 R HA 0.200 4.540 4.340 0.001 0.000 0.226 179 R C 2.109 178.204 176.300 -0.342 0.000 1.114 179 R CA 0.981 56.967 56.100 -0.190 0.000 0.972 179 R CB -0.901 29.295 30.300 -0.174 0.000 0.869 179 R HN 0.219 nan 8.270 nan 0.000 0.437 180 R N -1.513 118.625 120.500 -0.603 0.000 2.161 180 R HA 0.171 4.512 4.340 0.001 0.000 0.213 180 R C 1.238 176.999 176.300 -0.899 0.000 1.055 180 R CA 1.260 56.806 56.100 -0.923 0.000 0.996 180 R CB 0.077 29.468 30.300 -1.514 0.000 0.901 180 R HN 0.562 nan 8.270 nan 0.000 0.456 181 F N -1.656 118.183 119.950 -0.185 0.000 2.778 181 F HA 0.198 4.726 4.527 0.002 0.000 0.314 181 F C 1.775 177.512 175.800 -0.106 0.000 1.073 181 F CA -0.053 57.868 58.000 -0.132 0.000 1.218 181 F CB 0.329 39.258 39.000 -0.118 0.000 1.037 181 F HN -0.194 nan 8.300 nan 0.000 0.594 182 L N -0.413 120.844 121.223 0.056 0.000 2.642 182 L HA 0.282 4.623 4.340 0.001 0.000 0.233 182 L C 0.351 177.228 176.870 0.012 0.000 1.077 182 L CA 0.084 54.942 54.840 0.030 0.000 0.879 182 L CB 0.672 42.756 42.059 0.042 0.000 1.151 182 L HN 0.008 nan 8.230 nan 0.000 0.495 183 L N 1.968 123.182 121.223 -0.016 0.000 2.410 183 L HA 0.107 4.447 4.340 0.001 0.000 0.273 183 L C 0.787 177.655 176.870 -0.002 0.000 1.144 183 L CA 0.049 54.886 54.840 -0.005 0.000 0.863 183 L CB 0.582 42.620 42.059 -0.036 0.000 1.140 183 L HN 0.178 nan 8.230 nan 0.000 0.463 184 R N 4.365 124.887 120.500 0.037 0.000 2.370 184 R HA 0.101 4.441 4.340 0.001 0.000 0.309 184 R C 0.439 176.763 176.300 0.040 0.000 1.059 184 R CA 0.069 56.197 56.100 0.046 0.000 0.981 184 R CB 0.547 30.905 30.300 0.097 0.000 0.972 184 R HN 0.716 nan 8.270 nan 0.000 0.437 185 R N 2.649 123.158 120.500 0.014 0.000 2.195 185 R HA 0.138 4.479 4.340 0.001 0.000 0.197 185 R C -0.025 176.291 176.300 0.028 0.000 0.990 185 R CA 1.027 57.129 56.100 0.004 0.000 1.048 185 R CB 0.537 30.822 30.300 -0.026 0.000 0.997 185 R HN 0.526 nan 8.270 nan 0.000 0.502 186 K N 0.887 121.308 120.400 0.036 0.000 2.498 186 K HA 0.278 4.599 4.320 0.001 0.000 0.254 186 K C -1.547 175.109 176.600 0.093 0.000 0.933 186 K CA -0.854 55.472 56.287 0.065 0.000 0.806 186 K CB 0.743 33.261 32.500 0.030 0.000 1.301 186 K HN 0.127 nan 8.250 nan 0.000 0.432 187 F N 2.840 122.787 119.950 -0.005 0.000 2.533 187 F HA 0.440 4.968 4.527 0.001 0.000 0.378 187 F C 0.000 175.786 175.800 -0.024 0.000 1.070 187 F CA -0.454 57.540 58.000 -0.011 0.000 1.172 187 F CB -0.006 38.986 39.000 -0.012 0.000 1.085 187 F HN 0.446 nan 8.300 nan 0.000 0.552 188 I N 9.536 129.733 120.570 -0.621 0.000 2.306 188 I HA 0.253 4.424 4.170 0.001 0.000 0.288 188 I C -2.035 173.550 176.117 -0.886 0.000 1.036 188 I CA -2.128 58.842 61.300 -0.550 0.000 1.221 188 I CB 0.672 38.485 38.000 -0.312 0.000 1.385 188 I HN 0.428 nan 8.210 nan 0.000 0.472 189 P HA 0.050 nan 4.420 nan 0.000 0.274 189 P C -0.772 176.338 177.300 -0.318 0.000 1.231 189 P CA -0.277 62.511 63.100 -0.520 0.000 0.790 189 P CB 0.890 32.517 31.700 -0.121 0.000 0.951 190 D N 3.067 123.322 120.400 -0.241 0.000 2.371 190 D HA 0.061 4.702 4.640 0.001 0.000 0.256 190 D C -1.122 175.067 176.300 -0.186 0.000 1.193 190 D CA -1.911 51.951 54.000 -0.230 0.000 0.881 190 D CB 0.406 41.062 40.800 -0.240 0.000 1.143 190 D HN 0.184 nan 8.370 nan 0.000 0.473 191 P HA -0.127 nan 4.420 nan 0.000 0.226 191 P C 0.744 177.946 177.300 -0.163 0.000 1.153 191 P CA 0.854 63.856 63.100 -0.163 0.000 0.777 191 P CB 0.298 31.893 31.700 -0.174 0.000 0.794 192 Q N -0.798 118.878 119.800 -0.207 0.000 2.482 192 Q HA 0.147 4.488 4.340 0.001 0.000 0.209 192 Q C 1.156 177.056 176.000 -0.168 0.000 0.961 192 Q CA 0.589 56.264 55.803 -0.213 0.000 0.945 192 Q CB -0.373 28.183 28.738 -0.303 0.000 1.012 192 Q HN 0.285 nan 8.270 nan 0.000 0.515 193 G N 1.157 109.883 108.800 -0.123 0.000 2.143 193 G HA2 -0.252 3.709 3.960 0.001 0.000 0.248 193 G HA3 -0.252 3.709 3.960 0.001 0.000 0.248 193 G C 0.153 175.052 174.900 -0.002 0.000 0.991 193 G CA 0.288 45.365 45.100 -0.038 0.000 0.689 193 G HN 0.299 nan 8.290 nan 0.000 0.522 194 T N 1.466 115.955 114.554 -0.108 0.000 2.940 194 T HA 0.418 4.769 4.350 0.001 0.000 0.309 194 T C 0.789 175.503 174.700 0.023 0.000 1.056 194 T CA 0.787 62.806 62.100 -0.135 0.000 1.137 194 T CB 0.855 69.481 68.868 -0.402 0.000 0.976 194 T HN 0.842 nan 8.240 nan 0.000 0.547 195 N N 1.938 120.723 118.700 0.141 0.000 2.741 195 N HA 0.348 5.089 4.740 0.001 0.000 0.310 195 N C 0.728 176.392 175.510 0.257 0.000 1.295 195 N CA -1.192 51.983 53.050 0.208 0.000 0.893 195 N CB 0.364 39.002 38.487 0.252 0.000 1.247 195 N HN 0.377 nan 8.380 nan 0.000 0.596 196 L N -1.097 120.275 121.223 0.249 0.000 2.291 196 L HA 0.025 4.365 4.340 0.001 0.000 0.214 196 L C 2.022 179.076 176.870 0.306 0.000 1.120 196 L CA 0.754 55.691 54.840 0.163 0.000 0.799 196 L CB -0.371 41.810 42.059 0.203 0.000 0.925 196 L HN 0.548 nan 8.230 nan 0.000 0.446 197 M N -0.103 119.782 119.600 0.476 0.000 2.117 197 M HA -0.250 4.231 4.480 0.001 0.000 0.262 197 M C 2.035 178.771 176.300 0.726 0.000 1.065 197 M CA 1.913 57.562 55.300 0.580 0.000 1.114 197 M CB -0.506 32.350 32.600 0.426 0.000 1.361 197 M HN 0.177 nan 8.290 nan 0.000 0.408 198 F N 0.135 120.412 119.950 0.544 0.000 2.113 198 F HA -0.069 4.459 4.527 0.001 0.000 0.297 198 F C 2.091 178.129 175.800 0.396 0.000 1.103 198 F CA 1.713 60.021 58.000 0.512 0.000 1.248 198 F CB -0.660 38.487 39.000 0.246 0.000 0.999 198 F HN 0.180 nan 8.300 nan 0.000 0.475 199 A N 0.292 123.418 122.820 0.511 0.000 1.892 199 A HA -0.225 4.096 4.320 0.001 0.000 0.218 199 A C 2.002 179.625 177.584 0.064 0.000 1.188 199 A CA 2.039 54.222 52.037 0.244 0.000 0.631 199 A CB -1.531 17.451 19.000 -0.030 0.000 0.822 199 A HN 0.460 nan 8.150 nan 0.000 0.447 200 F N -1.857 118.213 119.950 0.200 0.000 2.325 200 F HA 0.040 4.568 4.527 0.001 0.000 0.299 200 F C 1.919 177.677 175.800 -0.070 0.000 1.090 200 F CA 0.508 58.559 58.000 0.085 0.000 1.392 200 F CB -0.764 38.289 39.000 0.088 0.000 1.053 200 F HN 0.342 nan 8.300 nan 0.000 0.521 201 F N 0.616 120.532 119.950 -0.056 0.000 2.113 201 F HA -0.116 4.412 4.527 0.001 0.000 0.297 201 F C 2.396 178.084 175.800 -0.186 0.000 1.103 201 F CA 1.336 59.081 58.000 -0.426 0.000 1.248 201 F CB -0.445 38.535 39.000 -0.033 0.000 0.999 201 F HN -0.079 nan 8.300 nan 0.000 0.475 202 A N -0.150 122.793 122.820 0.205 0.000 1.883 202 A HA -0.307 4.014 4.320 0.001 0.000 0.217 202 A C 2.192 179.773 177.584 -0.005 0.000 1.186 202 A CA 2.057 54.215 52.037 0.203 0.000 0.624 202 A CB -1.117 18.088 19.000 0.341 0.000 0.822 202 A HN 0.602 nan 8.150 nan 0.000 0.444 203 Q N -1.674 118.123 119.800 -0.005 0.000 2.046 203 Q HA -0.250 4.091 4.340 0.001 0.000 0.200 203 Q C 2.036 177.944 176.000 -0.153 0.000 0.975 203 Q CA 1.922 57.680 55.803 -0.075 0.000 0.836 203 Q CB -0.235 28.468 28.738 -0.059 0.000 0.896 203 Q HN 0.895 nan 8.270 nan 0.000 0.428 204 H N -0.662 118.226 119.070 -0.304 0.000 2.321 204 H HA -0.181 4.375 4.556 0.001 0.000 0.300 204 H C 1.647 176.807 175.328 -0.281 0.000 1.087 204 H CA 2.131 57.958 56.048 -0.369 0.000 1.319 204 H CB -0.390 29.039 29.762 -0.555 0.000 1.379 204 H HN 0.348 nan 8.280 nan 0.000 0.501 205 F N 1.069 120.691 119.950 -0.546 0.000 2.171 205 F HA -0.151 4.377 4.527 0.001 0.000 0.300 205 F C 2.454 177.697 175.800 -0.928 0.000 1.090 205 F CA 1.971 59.555 58.000 -0.693 0.000 1.293 205 F CB -0.775 37.851 39.000 -0.624 0.000 1.013 205 F HN 0.349 nan 8.300 nan 0.000 0.486 206 T N -3.360 110.548 114.554 -1.077 0.000 3.014 206 T HA -0.113 4.238 4.350 0.001 0.000 0.263 206 T C 1.401 175.177 174.700 -1.540 0.000 1.078 206 T CA 1.292 62.364 62.100 -1.712 0.000 1.135 206 T CB -0.852 67.364 68.868 -1.088 0.000 0.895 206 T HN 0.338 nan 8.240 nan 0.000 0.480 207 H N 1.955 120.491 119.070 -0.891 0.000 2.556 207 H HA 0.149 4.706 4.556 0.001 0.000 0.273 207 H C 2.271 177.209 175.328 -0.651 0.000 1.030 207 H CA 0.735 56.454 56.048 -0.548 0.000 1.156 207 H CB -0.231 29.444 29.762 -0.146 0.000 1.326 207 H HN 0.744 nan 8.280 nan 0.000 0.609 208 Q N -0.424 118.787 119.800 -0.981 0.000 2.376 208 Q HA -0.009 4.332 4.340 0.001 0.000 0.206 208 Q C 0.595 176.235 176.000 -0.600 0.000 0.921 208 Q CA 0.663 55.989 55.803 -0.794 0.000 0.911 208 Q CB 0.067 28.165 28.738 -1.066 0.000 1.032 208 Q HN 0.563 nan 8.270 nan 0.000 0.510 209 F N -3.110 116.431 119.950 -0.681 0.000 2.746 209 F HA 0.510 5.038 4.527 0.002 0.000 0.320 209 F C -0.373 175.090 175.800 -0.560 0.000 1.097 209 F CA -1.128 56.493 58.000 -0.631 0.000 1.195 209 F CB 0.647 39.243 39.000 -0.674 0.000 1.056 209 F HN -0.212 nan 8.300 nan 0.000 0.562 210 F N 3.276 122.970 119.950 -0.427 0.000 2.319 210 F HA 0.464 4.992 4.527 0.001 0.000 0.356 210 F C -0.091 175.530 175.800 -0.299 0.000 1.100 210 F CA -1.521 56.295 58.000 -0.305 0.000 1.220 210 F CB 0.770 39.422 39.000 -0.580 0.000 1.506 210 F HN -0.061 nan 8.300 nan 0.000 0.512 211 K N 1.532 121.943 120.400 0.019 0.000 2.606 211 K HA 0.263 4.584 4.320 0.001 0.000 0.196 211 K C -0.222 176.386 176.600 0.015 0.000 1.048 211 K CA -0.294 55.965 56.287 -0.048 0.000 1.017 211 K CB 0.948 33.376 32.500 -0.121 0.000 1.413 211 K HN 0.247 nan 8.250 nan 0.000 0.568 212 T N 1.017 115.638 114.554 0.111 0.000 2.888 212 T HA -0.027 4.324 4.350 0.001 0.000 0.301 212 T C 0.492 175.231 174.700 0.064 0.000 1.001 212 T CA 0.278 62.476 62.100 0.163 0.000 1.147 212 T CB 0.975 69.965 68.868 0.204 0.000 0.931 212 T HN 0.198 nan 8.240 nan 0.000 0.541 213 S N 2.119 117.853 115.700 0.056 0.000 2.481 213 S HA 0.355 4.826 4.470 0.001 0.000 0.276 213 S C 1.645 176.257 174.600 0.021 0.000 1.247 213 S CA -0.477 57.731 58.200 0.013 0.000 1.053 213 S CB 0.338 63.525 63.200 -0.022 0.000 0.925 213 S HN 0.856 nan 8.310 nan 0.000 0.491 214 G N 4.913 113.717 108.800 0.006 0.000 2.408 214 G HA2 -0.160 3.801 3.960 0.001 0.000 0.217 214 G HA3 -0.160 3.801 3.960 0.001 0.000 0.217 214 G C 1.536 176.430 174.900 -0.009 0.000 1.150 214 G CA 0.690 45.794 45.100 0.007 0.000 0.776 214 G HN 0.756 nan 8.290 nan 0.000 0.542 215 K N -0.102 120.278 120.400 -0.034 0.000 2.098 215 K HA 0.185 4.506 4.320 0.001 0.000 0.203 215 K C 2.321 178.854 176.600 -0.112 0.000 1.051 215 K CA 0.574 56.825 56.287 -0.060 0.000 0.957 215 K CB -0.455 32.007 32.500 -0.063 0.000 0.738 215 K HN 0.306 nan 8.250 nan 0.000 0.447 216 M N 0.970 120.467 119.600 -0.172 0.000 2.254 216 M HA 0.032 4.513 4.480 0.001 0.000 0.265 216 M C 0.839 177.008 176.300 -0.218 0.000 1.066 216 M CA 1.223 56.304 55.300 -0.365 0.000 1.123 216 M CB -0.161 32.069 32.600 -0.617 0.000 1.388 216 M HN 0.560 nan 8.290 nan 0.000 0.425 217 G N -0.017 108.780 108.800 -0.005 0.000 2.466 217 G HA2 -0.103 3.857 3.960 0.001 0.000 0.316 217 G HA3 -0.103 3.857 3.960 0.001 0.000 0.316 217 G C -3.126 171.915 174.900 0.236 0.000 1.270 217 G CA -1.322 43.845 45.100 0.112 0.000 0.982 217 G HN 0.067 nan 8.290 nan 0.000 0.506 218 P HA 0.448 nan 4.420 nan 0.000 0.276 218 P C 0.891 178.309 177.300 0.195 0.000 1.230 218 P CA 1.829 65.035 63.100 0.176 0.000 0.776 218 P CB 1.012 32.772 31.700 0.099 0.000 0.888 219 G N 0.856 109.776 108.800 0.200 0.000 2.175 219 G HA2 -0.219 3.742 3.960 0.001 0.000 0.244 219 G HA3 -0.219 3.742 3.960 0.001 0.000 0.244 219 G C -0.267 174.551 174.900 -0.136 0.000 0.982 219 G CA -0.501 44.663 45.100 0.107 0.000 0.641 219 G HN 0.404 nan 8.290 nan 0.000 0.527 220 F N 0.415 120.410 119.950 0.075 0.000 2.508 220 F HA 0.751 5.279 4.527 0.002 0.000 0.325 220 F C 0.492 176.076 175.800 -0.359 0.000 1.090 220 F CA -0.278 57.600 58.000 -0.203 0.000 0.945 220 F CB 2.524 41.395 39.000 -0.215 0.000 1.156 220 F HN 0.028 nan 8.300 nan 0.000 0.463 221 T N 1.227 115.561 114.554 -0.368 0.000 2.908 221 T HA 0.367 4.717 4.350 0.001 0.000 0.290 221 T C 0.408 174.964 174.700 -0.241 0.000 1.034 221 T CA -0.572 61.239 62.100 -0.483 0.000 1.010 221 T CB 1.466 69.766 68.868 -0.946 0.000 1.068 221 T HN 0.717 nan 8.240 nan 0.000 0.481 222 K N 1.549 121.834 120.400 -0.192 0.000 2.348 222 K HA 0.324 4.645 4.320 0.001 0.000 0.194 222 K C 0.824 177.325 176.600 -0.166 0.000 1.052 222 K CA -0.001 56.201 56.287 -0.141 0.000 1.004 222 K CB 0.495 32.937 32.500 -0.096 0.000 0.873 222 K HN 0.574 nan 8.250 nan 0.000 0.523 223 A N 2.263 124.950 122.820 -0.222 0.000 2.906 223 A HA 0.157 4.478 4.320 0.001 0.000 0.289 223 A C 0.919 178.296 177.584 -0.345 0.000 1.675 223 A CA -0.044 51.850 52.037 -0.239 0.000 1.372 223 A CB -0.765 18.090 19.000 -0.242 0.000 1.091 223 A HN 0.217 nan 8.150 nan 0.000 0.579 224 L N 1.694 122.788 121.223 -0.214 0.000 2.622 224 L HA -0.018 4.323 4.340 0.001 0.000 0.233 224 L C 2.356 179.209 176.870 -0.027 0.000 1.156 224 L CA 0.789 55.545 54.840 -0.139 0.000 0.866 224 L CB -0.130 41.907 42.059 -0.037 0.000 0.980 224 L HN 0.706 nan 8.230 nan 0.000 0.448 225 G N -2.070 106.685 108.800 -0.075 0.000 2.464 225 G HA2 -0.155 3.805 3.960 0.001 0.000 0.217 225 G HA3 -0.155 3.805 3.960 0.001 0.000 0.217 225 G C 0.630 175.570 174.900 0.067 0.000 1.138 225 G CA -0.080 45.026 45.100 0.010 0.000 0.793 225 G HN 0.576 nan 8.290 nan 0.000 0.539 226 H N -0.302 118.746 119.070 -0.036 0.000 2.713 226 H HA -0.160 4.396 4.556 0.001 0.000 0.311 226 H C 1.153 176.417 175.328 -0.107 0.000 1.175 226 H CA 1.126 57.144 56.048 -0.049 0.000 1.143 226 H CB -1.433 28.300 29.762 -0.049 0.000 1.434 226 H HN 0.856 nan 8.280 nan 0.000 0.418 227 G N -1.684 107.082 108.800 -0.058 0.000 2.404 227 G HA2 0.167 4.128 3.960 0.001 0.000 0.253 227 G HA3 0.167 4.128 3.960 0.001 0.000 0.253 227 G C -0.704 174.180 174.900 -0.027 0.000 1.253 227 G CA -0.293 44.701 45.100 -0.177 0.000 0.917 227 G HN 0.198 nan 8.290 nan 0.000 0.480 228 V N 2.578 122.501 119.914 0.016 0.000 2.149 228 V HA 0.250 4.371 4.120 0.001 0.000 0.245 228 V C 0.722 176.882 176.094 0.109 0.000 1.349 228 V CA 1.016 63.379 62.300 0.104 0.000 1.289 228 V CB 0.009 31.956 31.823 0.207 0.000 1.401 228 V HN 0.752 nan 8.190 nan 0.000 0.501 229 D N 2.533 122.979 120.400 0.078 0.000 2.389 229 D HA 0.032 4.672 4.640 0.001 0.000 0.206 229 D C 0.960 177.355 176.300 0.158 0.000 1.055 229 D CA -0.381 53.680 54.000 0.102 0.000 0.856 229 D CB 0.191 41.034 40.800 0.071 0.000 0.957 229 D HN 0.239 nan 8.370 nan 0.000 0.509 230 L N 0.212 121.533 121.223 0.163 0.000 4.040 230 L HA -0.128 4.213 4.340 0.001 0.000 0.410 230 L C 1.578 178.658 176.870 0.350 0.000 1.187 230 L CA 0.667 55.686 54.840 0.298 0.000 0.956 230 L CB -1.904 40.328 42.059 0.287 0.000 2.022 230 L HN 0.336 nan 8.230 nan 0.000 0.897 231 G N -0.864 108.071 108.800 0.225 0.000 2.776 231 G HA2 -0.150 3.810 3.960 0.001 0.000 0.209 231 G HA3 -0.150 3.810 3.960 0.001 0.000 0.209 231 G C 1.127 176.075 174.900 0.081 0.000 1.145 231 G CA 0.639 45.826 45.100 0.144 0.000 0.791 231 G HN 0.804 nan 8.290 nan 0.000 0.530 232 H N -0.953 118.015 119.070 -0.171 0.000 2.539 232 H HA 0.299 4.856 4.556 0.001 0.000 0.269 232 H C 1.657 176.917 175.328 -0.115 0.000 0.980 232 H CA -0.329 55.574 56.048 -0.241 0.000 1.152 232 H CB -0.111 29.486 29.762 -0.276 0.000 1.407 232 H HN 0.433 nan 8.280 nan 0.000 0.564 233 I N -0.990 119.365 120.570 -0.358 0.000 3.718 233 I HA 0.002 4.173 4.170 0.001 0.000 0.297 233 I C 1.084 176.940 176.117 -0.434 0.000 1.220 233 I CA 0.123 61.128 61.300 -0.491 0.000 1.381 233 I CB 0.234 37.746 38.000 -0.813 0.000 1.238 233 I HN -0.044 nan 8.210 nan 0.000 0.448 234 Y N 1.234 121.534 120.300 0.000 0.000 2.481 234 Y HA 0.505 5.056 4.550 0.001 0.000 0.258 234 Y C 1.150 177.084 175.900 0.057 0.000 1.103 234 Y CA 0.098 58.239 58.100 0.067 0.000 1.287 234 Y CB 0.276 38.822 38.460 0.143 0.000 1.108 234 Y HN 0.086 nan 8.280 nan 0.000 0.529 235 G N 1.124 110.003 108.800 0.132 0.000 2.784 235 G HA2 -0.183 3.778 3.960 0.001 0.000 0.686 235 G HA3 -0.183 3.778 3.960 0.001 0.000 0.686 235 G C -0.248 174.689 174.900 0.062 0.000 1.156 235 G CA -0.298 44.841 45.100 0.064 0.000 0.757 235 G HN 0.291 nan 8.290 nan 0.000 0.642 236 D N -0.199 120.203 120.400 0.004 0.000 2.312 236 D HA 0.042 4.683 4.640 0.001 0.000 0.211 236 D C 0.834 177.131 176.300 -0.006 0.000 0.964 236 D CA 1.271 55.262 54.000 -0.014 0.000 0.877 236 D CB -0.071 40.694 40.800 -0.057 0.000 0.924 236 D HN 0.930 nan 8.370 nan 0.000 0.515 237 N N -1.359 117.341 118.700 -0.001 0.000 2.328 237 N HA 0.252 4.993 4.740 0.001 0.000 0.299 237 N C 0.379 175.883 175.510 -0.010 0.000 1.179 237 N CA -1.012 52.029 53.050 -0.014 0.000 0.793 237 N CB 1.964 40.432 38.487 -0.031 0.000 1.366 237 N HN -0.047 nan 8.380 nan 0.000 0.493 238 L N 0.006 121.195 121.223 -0.057 0.000 2.027 238 L HA -0.137 4.204 4.340 0.001 0.000 0.206 238 L C 2.274 179.032 176.870 -0.187 0.000 1.074 238 L CA 1.508 56.270 54.840 -0.128 0.000 0.745 238 L CB -0.398 41.520 42.059 -0.234 0.000 0.898 238 L HN 0.789 nan 8.230 nan 0.000 0.433 239 E N 0.012 120.113 120.200 -0.165 0.000 2.153 239 E HA -0.331 4.020 4.350 0.001 0.000 0.194 239 E C 2.177 178.795 176.600 0.029 0.000 0.988 239 E CA 1.291 57.631 56.400 -0.099 0.000 0.811 239 E CB -0.579 29.075 29.700 -0.076 0.000 0.746 239 E HN 0.570 nan 8.360 nan 0.000 0.466 240 R N 1.063 121.577 120.500 0.023 0.000 2.075 240 R HA -0.164 4.176 4.340 0.001 0.000 0.232 240 R C 2.637 178.992 176.300 0.092 0.000 1.126 240 R CA 1.757 57.887 56.100 0.049 0.000 0.963 240 R CB -0.163 30.152 30.300 0.026 0.000 0.858 240 R HN 0.313 nan 8.270 nan 0.000 0.435 241 Q N -0.424 119.446 119.800 0.117 0.000 2.020 241 Q HA -0.230 4.111 4.340 0.001 0.000 0.202 241 Q C 1.743 177.824 176.000 0.136 0.000 0.982 241 Q CA 1.855 57.748 55.803 0.149 0.000 0.838 241 Q CB -0.307 28.546 28.738 0.191 0.000 0.899 241 Q HN 0.551 nan 8.270 nan 0.000 0.423 242 Y N 0.051 120.339 120.300 -0.020 0.000 2.207 242 Y HA -0.280 4.271 4.550 0.001 0.000 0.287 242 Y C 2.571 178.572 175.900 0.170 0.000 1.156 242 Y CA 1.025 59.192 58.100 0.112 0.000 1.182 242 Y CB 0.151 38.753 38.460 0.237 0.000 0.979 242 Y HN 0.307 nan 8.280 nan 0.000 0.521 243 Q N -0.092 119.857 119.800 0.249 0.000 2.230 243 Q HA -0.115 4.226 4.340 0.001 0.000 0.202 243 Q C 1.748 177.807 176.000 0.098 0.000 0.963 243 Q CA 1.018 56.916 55.803 0.157 0.000 0.866 243 Q CB -0.120 28.681 28.738 0.105 0.000 0.931 243 Q HN 0.347 nan 8.270 nan 0.000 0.452 244 L N -0.328 120.935 121.223 0.066 0.000 2.341 244 L HA 0.092 4.433 4.340 0.001 0.000 0.214 244 L C 0.330 177.193 176.870 -0.013 0.000 1.115 244 L CA 0.883 55.746 54.840 0.039 0.000 0.820 244 L CB 0.008 42.099 42.059 0.053 0.000 0.944 244 L HN -0.043 nan 8.230 nan 0.000 0.452 245 R N -0.545 119.871 120.500 -0.139 0.000 2.340 245 R HA 0.096 4.437 4.340 0.001 0.000 0.300 245 R C 0.976 177.162 176.300 -0.191 0.000 1.069 245 R CA -0.355 55.531 56.100 -0.357 0.000 0.984 245 R CB 0.907 30.586 30.300 -1.036 0.000 1.003 245 R HN -0.052 nan 8.270 nan 0.000 0.459 246 L N 3.589 124.764 121.223 -0.080 0.000 2.291 246 L HA 0.029 4.369 4.340 0.001 0.000 0.214 246 L C 0.176 177.123 176.870 0.129 0.000 1.120 246 L CA 1.274 56.147 54.840 0.055 0.000 0.799 246 L CB -0.256 41.867 42.059 0.106 0.000 0.925 246 L HN 0.821 nan 8.230 nan 0.000 0.446 247 F N -1.368 118.557 119.950 -0.043 0.000 3.057 247 F HA -0.286 4.242 4.527 0.001 0.000 0.287 247 F C 0.630 176.422 175.800 -0.014 0.000 0.834 247 F CA 0.952 58.907 58.000 -0.076 0.000 1.147 247 F CB -2.111 36.816 39.000 -0.121 0.000 1.245 247 F HN 0.204 nan 8.300 nan 0.000 0.509 248 K N -0.245 120.234 120.400 0.132 0.000 2.535 248 K HA 0.610 4.931 4.320 0.001 0.000 0.250 248 K C 0.374 177.050 176.600 0.127 0.000 0.948 248 K CA -0.159 56.203 56.287 0.125 0.000 0.796 248 K CB 1.160 33.729 32.500 0.115 0.000 1.216 248 K HN 0.108 nan 8.250 nan 0.000 0.432 249 D N 1.044 121.521 120.400 0.128 0.000 3.077 249 D HA -0.210 4.431 4.640 0.001 0.000 0.217 249 D C 1.093 177.491 176.300 0.163 0.000 1.162 249 D CA 3.073 57.155 54.000 0.137 0.000 0.943 249 D CB -1.351 39.522 40.800 0.121 0.000 1.122 249 D HN 2.083 nan 8.370 nan 0.000 0.413 250 G N -0.568 108.335 108.800 0.172 0.000 2.205 250 G HA2 -0.397 3.564 3.960 0.001 0.000 0.261 250 G HA3 -0.397 3.564 3.960 0.001 0.000 0.261 250 G C 0.424 175.565 174.900 0.403 0.000 0.980 250 G CA 0.863 46.120 45.100 0.261 0.000 0.632 250 G HN 0.507 nan 8.290 nan 0.000 0.533 251 K N -0.430 120.147 120.400 0.295 0.000 2.180 251 K HA 0.548 4.868 4.320 0.001 0.000 0.251 251 K C 0.339 177.133 176.600 0.324 0.000 1.014 251 K CA -0.555 55.956 56.287 0.373 0.000 0.913 251 K CB 0.635 33.294 32.500 0.265 0.000 1.008 251 K HN 0.081 nan 8.250 nan 0.000 0.490 252 L N 1.752 123.178 121.223 0.339 0.000 2.399 252 L HA 0.207 4.548 4.340 0.001 0.000 0.265 252 L C 0.226 177.243 176.870 0.244 0.000 1.089 252 L CA 0.056 55.011 54.840 0.191 0.000 0.802 252 L CB 0.859 42.987 42.059 0.115 0.000 1.180 252 L HN 0.407 nan 8.230 nan 0.000 0.454 253 K N 1.437 121.937 120.400 0.166 0.000 2.380 253 K HA 0.320 4.641 4.320 0.001 0.000 0.267 253 K C -1.315 175.440 176.600 0.259 0.000 0.990 253 K CA 0.332 56.714 56.287 0.157 0.000 0.946 253 K CB 0.465 33.005 32.500 0.066 0.000 0.937 253 K HN 0.560 nan 8.250 nan 0.000 0.491 254 Y N -2.101 118.235 120.300 0.060 0.000 2.624 254 Y HA 0.250 4.801 4.550 0.001 0.000 0.334 254 Y C -1.576 174.363 175.900 0.065 0.000 1.155 254 Y CA -1.393 56.747 58.100 0.066 0.000 1.046 254 Y CB 1.038 39.535 38.460 0.060 0.000 1.316 254 Y HN 0.589 nan 8.280 nan 0.000 0.457 255 Q N 2.553 122.453 119.800 0.168 0.000 2.387 255 Q HA 0.664 5.005 4.340 0.001 0.000 0.273 255 Q C -1.390 174.741 176.000 0.219 0.000 1.089 255 Q CA -1.306 54.549 55.803 0.086 0.000 0.824 255 Q CB 2.644 31.422 28.738 0.065 0.000 1.367 255 Q HN 0.657 nan 8.270 nan 0.000 0.443 256 M N 3.320 123.009 119.600 0.147 0.000 2.055 256 M HA 0.410 4.891 4.480 0.001 0.000 0.347 256 M C -1.311 175.078 176.300 0.148 0.000 1.123 256 M CA -0.250 55.154 55.300 0.174 0.000 1.035 256 M CB 0.247 32.927 32.600 0.133 0.000 1.484 256 M HN 0.644 nan 8.290 nan 0.000 0.428 257 L N 4.788 126.146 121.223 0.225 0.000 2.343 257 L HA 0.439 4.780 4.340 0.001 0.000 0.278 257 L C 0.292 177.269 176.870 0.179 0.000 0.996 257 L CA -0.502 54.435 54.840 0.161 0.000 0.831 257 L CB 1.123 43.235 42.059 0.088 0.000 1.232 257 L HN 0.700 nan 8.230 nan 0.000 0.413 258 N N 2.907 121.665 118.700 0.095 0.000 2.754 258 N HA -0.205 4.536 4.740 0.001 0.000 0.248 258 N C 0.976 176.532 175.510 0.076 0.000 1.093 258 N CA 1.109 54.204 53.050 0.075 0.000 0.699 258 N CB -0.858 37.670 38.487 0.069 0.000 1.016 258 N HN 1.156 nan 8.380 nan 0.000 0.552 259 G N -1.173 107.670 108.800 0.073 0.000 2.162 259 G HA2 -0.319 3.641 3.960 0.001 0.000 0.260 259 G HA3 -0.319 3.641 3.960 0.001 0.000 0.260 259 G C -0.227 174.694 174.900 0.036 0.000 0.976 259 G CA 0.804 45.935 45.100 0.050 0.000 0.655 259 G HN 0.483 nan 8.290 nan 0.000 0.533 260 E N -0.196 120.041 120.200 0.061 0.000 2.195 260 E HA 0.531 4.882 4.350 0.001 0.000 0.271 260 E C 0.110 176.635 176.600 -0.125 0.000 0.923 260 E CA -0.774 55.587 56.400 -0.066 0.000 0.790 260 E CB 2.345 31.992 29.700 -0.089 0.000 1.155 260 E HN 0.113 nan 8.360 nan 0.000 0.402 261 V N 3.718 123.472 119.914 -0.267 0.000 2.488 261 V HA 0.189 4.310 4.120 0.001 0.000 0.277 261 V C -0.575 175.284 176.094 -0.392 0.000 1.046 261 V CA 0.125 62.318 62.300 -0.177 0.000 0.986 261 V CB -0.464 31.229 31.823 -0.217 0.000 0.989 261 V HN 0.527 nan 8.190 nan 0.000 0.475 262 Y N 4.308 124.672 120.300 0.107 0.000 2.609 262 Y HA 0.489 5.040 4.550 0.001 0.000 0.342 262 Y C -2.327 173.644 175.900 0.118 0.000 1.058 262 Y CA -2.730 55.418 58.100 0.080 0.000 1.055 262 Y CB 2.211 40.703 38.460 0.054 0.000 1.292 262 Y HN 0.416 nan 8.280 nan 0.000 0.476 263 P HA 0.015 nan 4.420 nan 0.000 0.268 263 P C -2.528 174.872 177.300 0.167 0.000 1.208 263 P CA -0.730 62.488 63.100 0.198 0.000 0.777 263 P CB -0.031 31.773 31.700 0.173 0.000 0.875 264 P HA 0.022 nan 4.420 nan 0.000 0.273 264 P C -0.294 177.032 177.300 0.043 0.000 1.250 264 P CA -0.055 63.090 63.100 0.074 0.000 0.793 264 P CB 0.400 32.133 31.700 0.055 0.000 1.011 265 S N -0.613 115.091 115.700 0.008 0.000 2.645 265 S HA 0.141 4.612 4.470 0.001 0.000 0.266 265 S C 1.463 176.048 174.600 -0.025 0.000 1.258 265 S CA -0.675 57.509 58.200 -0.026 0.000 0.990 265 S CB 0.039 63.212 63.200 -0.044 0.000 0.967 265 S HN 0.215 nan 8.310 nan 0.000 0.556 266 V N 1.534 121.415 119.914 -0.055 0.000 2.490 266 V HA -0.137 3.984 4.120 0.001 0.000 0.250 266 V C 2.451 178.526 176.094 -0.031 0.000 1.061 266 V CA 2.187 64.461 62.300 -0.044 0.000 1.064 266 V CB -1.362 30.415 31.823 -0.077 0.000 0.670 266 V HN 0.861 nan 8.190 nan 0.000 0.461 267 E N 0.609 120.786 120.200 -0.038 0.000 2.072 267 E HA -0.145 4.206 4.350 0.001 0.000 0.191 267 E C 2.412 179.001 176.600 -0.018 0.000 0.985 267 E CA 1.584 57.967 56.400 -0.029 0.000 0.801 267 E CB -0.396 29.284 29.700 -0.034 0.000 0.750 267 E HN 0.765 nan 8.360 nan 0.000 0.452 268 E N 0.668 120.858 120.200 -0.016 0.000 2.107 268 E HA 0.240 4.591 4.350 0.001 0.000 0.191 268 E C 1.035 177.640 176.600 0.009 0.000 0.982 268 E CA 1.107 57.502 56.400 -0.009 0.000 0.809 268 E CB -0.136 29.553 29.700 -0.018 0.000 0.756 268 E HN 0.244 nan 8.360 nan 0.000 0.459 269 A N 1.125 123.952 122.820 0.013 0.000 2.709 269 A HA 0.585 4.906 4.320 0.001 0.000 0.332 269 A C -2.829 174.768 177.584 0.021 0.000 1.241 269 A CA -1.423 50.631 52.037 0.028 0.000 0.782 269 A CB 1.002 20.026 19.000 0.040 0.000 1.109 269 A HN 0.056 nan 8.150 nan 0.000 0.472 270 P HA 0.230 nan 4.420 nan 0.000 0.256 270 P C -0.212 177.094 177.300 0.011 0.000 1.688 270 P CA 0.312 63.416 63.100 0.007 0.000 1.162 270 P CB 0.113 31.815 31.700 0.004 0.000 1.870 271 V N 0.682 120.603 119.914 0.012 0.000 2.864 271 V HA 0.409 4.530 4.120 0.001 0.000 0.314 271 V C -0.098 175.994 176.094 -0.002 0.000 1.073 271 V CA -1.428 60.877 62.300 0.009 0.000 0.956 271 V CB 2.335 34.171 31.823 0.021 0.000 1.023 271 V HN 0.106 nan 8.190 nan 0.000 0.435 272 L N 4.649 125.858 121.223 -0.023 0.000 2.654 272 L HA 0.275 4.616 4.340 0.001 0.000 0.271 272 L C -0.644 176.197 176.870 -0.047 0.000 1.169 272 L CA 1.037 55.841 54.840 -0.060 0.000 0.947 272 L CB 0.394 42.401 42.059 -0.087 0.000 1.232 272 L HN 0.749 nan 8.230 nan 0.000 0.486 273 M N 5.115 124.704 119.600 -0.018 0.000 2.326 273 M HA 0.223 4.704 4.480 0.001 0.000 0.306 273 M C -0.711 175.621 176.300 0.054 0.000 1.054 273 M CA -0.631 54.720 55.300 0.084 0.000 0.922 273 M CB 1.440 34.225 32.600 0.309 0.000 1.632 273 M HN 0.433 nan 8.290 nan 0.000 0.436 274 H N 2.804 121.896 119.070 0.038 0.000 3.067 274 H HA 0.325 4.882 4.556 0.001 0.000 0.265 274 H C -1.349 173.921 175.328 -0.097 0.000 1.234 274 H CA 0.848 56.896 56.048 -0.001 0.000 1.452 274 H CB -0.069 29.677 29.762 -0.027 0.000 1.527 274 H HN 0.369 nan 8.280 nan 0.000 0.486 275 Y N 2.278 122.631 120.300 0.087 0.000 2.524 275 Y HA 0.309 4.860 4.550 0.001 0.000 0.344 275 Y C -1.880 174.025 175.900 0.009 0.000 1.012 275 Y CA -2.806 55.329 58.100 0.058 0.000 1.068 275 Y CB 1.166 39.642 38.460 0.027 0.000 1.249 275 Y HN 0.528 nan 8.280 nan 0.000 0.468 276 P HA 0.171 nan 4.420 nan 0.000 0.263 276 P C -0.336 176.985 177.300 0.035 0.000 1.195 276 P CA -0.049 63.049 63.100 -0.004 0.000 0.762 276 P CB 0.295 31.950 31.700 -0.075 0.000 0.799 277 R N 2.375 122.880 120.500 0.009 0.000 2.538 277 R HA 0.420 4.761 4.340 0.001 0.000 0.282 277 R C 1.453 177.752 176.300 -0.002 0.000 1.009 277 R CA 0.371 56.475 56.100 0.007 0.000 1.063 277 R CB -1.258 29.041 30.300 -0.001 0.000 0.945 277 R HN 0.942 nan 8.270 nan 0.000 0.414 278 G N 1.005 109.802 108.800 -0.005 0.000 2.284 278 G HA2 -0.192 3.769 3.960 0.001 0.000 0.216 278 G HA3 -0.192 3.769 3.960 0.001 0.000 0.216 278 G C 0.491 175.382 174.900 -0.014 0.000 1.009 278 G CA 0.002 45.096 45.100 -0.010 0.000 0.625 278 G HN 0.806 nan 8.290 nan 0.000 0.501 279 I N 4.691 125.256 120.570 -0.008 0.000 2.752 279 I HA 0.150 4.321 4.170 0.001 0.000 0.289 279 I C -1.058 175.024 176.117 -0.059 0.000 1.197 279 I CA -1.148 60.139 61.300 -0.020 0.000 1.432 279 I CB 0.633 38.640 38.000 0.011 0.000 1.359 279 I HN 0.079 nan 8.210 nan 0.000 0.571 280 P HA 0.055 nan 4.420 nan 0.000 0.267 280 P C -2.316 174.913 177.300 -0.118 0.000 1.200 280 P CA -1.202 61.853 63.100 -0.075 0.000 0.772 280 P CB 0.024 31.687 31.700 -0.061 0.000 0.855 281 P HA -0.118 nan 4.420 nan 0.000 0.222 281 P C 1.333 178.550 177.300 -0.139 0.000 1.147 281 P CA 1.403 64.420 63.100 -0.138 0.000 0.790 281 P CB 0.029 31.673 31.700 -0.094 0.000 0.780 282 Q N -1.003 118.732 119.800 -0.107 0.000 2.224 282 Q HA -0.015 4.326 4.340 0.001 0.000 0.203 282 Q C 1.925 177.858 176.000 -0.113 0.000 0.970 282 Q CA 1.340 57.087 55.803 -0.093 0.000 0.865 282 Q CB -0.798 27.898 28.738 -0.069 0.000 0.922 282 Q HN 0.162 nan 8.270 nan 0.000 0.445 283 S N 0.111 115.729 115.700 -0.136 0.000 2.558 283 S HA 0.059 4.530 4.470 0.001 0.000 0.217 283 S C 0.062 174.521 174.600 -0.235 0.000 0.975 283 S CA 0.067 58.182 58.200 -0.142 0.000 0.912 283 S CB 0.160 63.298 63.200 -0.103 0.000 0.776 283 S HN 0.346 nan 8.310 nan 0.000 0.526 284 Q N 1.128 120.706 119.800 -0.369 0.000 2.303 284 Q HA 0.440 4.781 4.340 0.001 0.000 0.257 284 Q C -0.685 175.118 176.000 -0.327 0.000 0.941 284 Q CA 0.164 55.532 55.803 -0.726 0.000 0.931 284 Q CB 1.108 29.335 28.738 -0.850 0.000 1.215 284 Q HN 0.333 nan 8.270 nan 0.000 0.437 285 M N 1.433 120.969 119.600 -0.107 0.000 2.367 285 M HA 0.568 5.048 4.480 0.001 0.000 0.339 285 M C -0.501 175.900 176.300 0.168 0.000 1.177 285 M CA -0.688 54.660 55.300 0.079 0.000 1.068 285 M CB 1.686 34.371 32.600 0.142 0.000 1.602 285 M HN 0.614 nan 8.290 nan 0.000 0.457 286 A N 2.802 125.693 122.820 0.119 0.000 2.273 286 A HA 0.723 5.044 4.320 0.001 0.000 0.315 286 A C -0.572 177.079 177.584 0.111 0.000 1.256 286 A CA -0.610 51.496 52.037 0.115 0.000 0.851 286 A CB 0.445 19.485 19.000 0.067 0.000 1.172 286 A HN 0.732 nan 8.150 nan 0.000 0.508 287 V N 0.113 120.094 119.914 0.112 0.000 3.156 287 V HA 0.885 5.006 4.120 0.001 0.000 0.311 287 V C 1.216 177.318 176.094 0.015 0.000 1.208 287 V CA -0.045 62.308 62.300 0.089 0.000 1.063 287 V CB 0.971 32.903 31.823 0.182 0.000 1.098 287 V HN 0.947 nan 8.190 nan 0.000 0.452 288 G N -0.772 108.011 108.800 -0.028 0.000 2.476 288 G HA2 -0.108 3.853 3.960 0.001 0.000 0.218 288 G HA3 -0.108 3.853 3.960 0.001 0.000 0.218 288 G C 0.728 175.527 174.900 -0.168 0.000 1.164 288 G CA 0.842 45.895 45.100 -0.077 0.000 0.768 288 G HN 0.686 nan 8.290 nan 0.000 0.560 289 Q N -0.150 119.423 119.800 -0.379 0.000 2.241 289 Q HA 0.263 4.604 4.340 0.001 0.000 0.254 289 Q C 0.797 176.523 176.000 -0.456 0.000 0.917 289 Q CA -0.264 55.162 55.803 -0.629 0.000 0.919 289 Q CB 1.837 29.694 28.738 -1.469 0.000 1.237 289 Q HN 0.308 nan 8.270 nan 0.000 0.434 290 E N 1.101 121.158 120.200 -0.239 0.000 2.204 290 E HA -0.140 4.211 4.350 0.001 0.000 0.194 290 E C 1.486 178.077 176.600 -0.016 0.000 0.989 290 E CA 1.250 57.625 56.400 -0.041 0.000 0.824 290 E CB 0.111 29.893 29.700 0.136 0.000 0.756 290 E HN 0.516 nan 8.360 nan 0.000 0.477 291 V N -2.108 117.745 119.914 -0.101 0.000 3.649 291 V HA 0.083 4.203 4.120 0.001 0.000 0.275 291 V C 1.289 177.439 176.094 0.094 0.000 1.281 291 V CA 0.266 62.563 62.300 -0.006 0.000 1.143 291 V CB -0.493 31.344 31.823 0.023 0.000 0.892 291 V HN -0.007 nan 8.190 nan 0.000 0.441 292 F N 3.102 123.014 119.950 -0.064 0.000 2.293 292 F HA 0.222 4.750 4.527 0.001 0.000 0.300 292 F C 2.453 178.180 175.800 -0.122 0.000 1.086 292 F CA 0.869 58.828 58.000 -0.069 0.000 1.375 292 F CB -1.328 37.672 39.000 0.001 0.000 1.045 292 F HN 0.375 nan 8.300 nan 0.000 0.516 293 G N -0.280 108.505 108.800 -0.025 0.000 2.625 293 G HA2 -0.109 3.852 3.960 0.001 0.000 0.214 293 G HA3 -0.109 3.852 3.960 0.001 0.000 0.214 293 G C 1.652 176.393 174.900 -0.264 0.000 1.132 293 G CA 0.241 45.205 45.100 -0.225 0.000 0.782 293 G HN 0.355 nan 8.290 nan 0.000 0.538 294 L N -0.898 120.220 121.223 -0.174 0.000 2.418 294 L HA 0.356 4.697 4.340 0.001 0.000 0.218 294 L C 0.469 177.165 176.870 -0.289 0.000 1.125 294 L CA 0.254 55.042 54.840 -0.088 0.000 0.835 294 L CB 0.003 42.102 42.059 0.067 0.000 0.953 294 L HN 0.060 nan 8.230 nan 0.000 0.454 295 L N -0.829 120.226 121.223 -0.281 0.000 2.410 295 L HA 0.316 4.656 4.340 0.001 0.000 0.270 295 L C -1.858 174.712 176.870 -0.500 0.000 0.983 295 L CA -1.566 53.002 54.840 -0.455 0.000 0.822 295 L CB 2.399 44.289 42.059 -0.283 0.000 1.285 295 L HN -0.316 nan 8.230 nan 0.000 0.409 296 P HA -0.091 nan 4.420 nan 0.000 0.218 296 P C 1.387 178.425 177.300 -0.436 0.000 1.149 296 P CA 0.903 63.685 63.100 -0.530 0.000 0.817 296 P CB 0.335 31.647 31.700 -0.647 0.000 0.785 297 G N -0.685 107.642 108.800 -0.789 0.000 2.422 297 G HA2 -0.181 3.780 3.960 0.001 0.000 0.218 297 G HA3 -0.181 3.780 3.960 0.001 0.000 0.218 297 G C 1.285 175.835 174.900 -0.583 0.000 1.140 297 G CA 0.486 44.816 45.100 -1.284 0.000 0.775 297 G HN 0.149 nan 8.290 nan 0.000 0.545 298 L N -0.407 120.554 121.223 -0.436 0.000 2.068 298 L HA 0.261 4.602 4.340 0.001 0.000 0.204 298 L C 2.603 179.287 176.870 -0.311 0.000 1.076 298 L CA 1.148 55.771 54.840 -0.361 0.000 0.753 298 L CB -0.578 41.254 42.059 -0.379 0.000 0.910 298 L HN 0.183 nan 8.230 nan 0.000 0.439 299 M N -1.272 118.215 119.600 -0.188 0.000 2.460 299 M HA -0.116 4.365 4.480 0.001 0.000 0.263 299 M C 1.949 178.218 176.300 -0.052 0.000 1.071 299 M CA 1.327 56.594 55.300 -0.054 0.000 1.096 299 M CB -0.435 32.156 32.600 -0.015 0.000 1.408 299 M HN 0.179 nan 8.290 nan 0.000 0.463 300 L N -1.250 119.900 121.223 -0.121 0.000 1.994 300 L HA -0.258 4.083 4.340 0.001 0.000 0.208 300 L C 1.906 178.647 176.870 -0.215 0.000 1.071 300 L CA 1.778 56.535 54.840 -0.139 0.000 0.745 300 L CB -0.495 41.459 42.059 -0.175 0.000 0.892 300 L HN 0.255 nan 8.230 nan 0.000 0.431 301 Y N -0.400 119.733 120.300 -0.278 0.000 2.242 301 Y HA -0.181 4.370 4.550 0.001 0.000 0.291 301 Y C 2.578 178.330 175.900 -0.247 0.000 1.137 301 Y CA 1.162 59.026 58.100 -0.394 0.000 1.181 301 Y CB -0.590 37.367 38.460 -0.838 0.000 0.989 301 Y HN 0.271 nan 8.280 nan 0.000 0.527 302 A N -0.486 122.309 122.820 -0.042 0.000 1.940 302 A HA -0.212 4.109 4.320 0.001 0.000 0.219 302 A C 2.261 179.915 177.584 0.116 0.000 1.176 302 A CA 2.351 54.478 52.037 0.150 0.000 0.631 302 A CB -1.167 17.960 19.000 0.211 0.000 0.814 302 A HN 0.416 nan 8.150 nan 0.000 0.446 303 T N 0.246 114.834 114.554 0.056 0.000 2.701 303 T HA -0.065 4.286 4.350 0.001 0.000 0.263 303 T C 1.829 176.503 174.700 -0.044 0.000 1.040 303 T CA 1.429 63.546 62.100 0.028 0.000 1.147 303 T CB -0.411 68.481 68.868 0.040 0.000 0.865 303 T HN 0.415 nan 8.240 nan 0.000 0.426 304 I N -0.568 119.932 120.570 -0.118 0.000 2.151 304 I HA -0.221 3.950 4.170 0.001 0.000 0.243 304 I C 2.259 178.267 176.117 -0.181 0.000 1.080 304 I CA 1.612 62.777 61.300 -0.224 0.000 1.339 304 I CB -0.324 37.445 38.000 -0.384 0.000 1.039 304 I HN 0.341 nan 8.210 nan 0.000 0.409 305 W N 0.335 121.612 121.300 -0.038 0.000 2.402 305 W HA -0.102 4.558 4.660 0.001 0.000 0.286 305 W C 2.432 178.952 176.519 0.002 0.000 1.221 305 W CA 0.426 57.770 57.345 -0.001 0.000 1.257 305 W CB -0.216 29.236 29.460 -0.013 0.000 1.120 305 W HN 0.109 nan 8.180 nan 0.000 0.551 306 L N 0.598 121.932 121.223 0.185 0.000 2.056 306 L HA -0.142 4.198 4.340 0.001 0.000 0.207 306 L C 2.510 179.440 176.870 0.099 0.000 1.078 306 L CA 1.648 56.561 54.840 0.121 0.000 0.749 306 L CB -0.332 41.776 42.059 0.081 0.000 0.901 306 L HN -0.106 nan 8.230 nan 0.000 0.433 307 R N -0.597 119.911 120.500 0.012 0.000 2.120 307 R HA -0.208 4.133 4.340 0.001 0.000 0.234 307 R C 2.136 178.428 176.300 -0.014 0.000 1.123 307 R CA 1.426 57.493 56.100 -0.056 0.000 0.975 307 R CB -0.187 30.037 30.300 -0.126 0.000 0.866 307 R HN 0.352 nan 8.270 nan 0.000 0.446 308 E N 0.023 120.243 120.200 0.034 0.000 2.107 308 E HA -0.192 4.159 4.350 0.001 0.000 0.191 308 E C 1.704 178.398 176.600 0.156 0.000 0.982 308 E CA 1.426 57.866 56.400 0.066 0.000 0.809 308 E CB -0.103 29.630 29.700 0.054 0.000 0.756 308 E HN 0.406 nan 8.360 nan 0.000 0.459 309 H N -0.049 119.113 119.070 0.153 0.000 2.293 309 H HA -0.051 4.506 4.556 0.001 0.000 0.300 309 H C 1.575 176.982 175.328 0.132 0.000 1.082 309 H CA 2.336 58.496 56.048 0.186 0.000 1.308 309 H CB -0.104 29.798 29.762 0.234 0.000 1.375 309 H HN 0.134 nan 8.280 nan 0.000 0.495 310 N N 0.208 119.007 118.700 0.166 0.000 2.188 310 N HA -0.130 4.611 4.740 0.001 0.000 0.184 310 N C 1.980 177.483 175.510 -0.012 0.000 1.018 310 N CA 1.015 54.105 53.050 0.066 0.000 0.858 310 N CB -0.369 38.128 38.487 0.017 0.000 0.989 310 N HN 0.396 nan 8.380 nan 0.000 0.426 311 R N 0.788 121.278 120.500 -0.017 0.000 2.081 311 R HA -0.044 4.297 4.340 0.001 0.000 0.235 311 R C 1.577 177.866 176.300 -0.019 0.000 1.131 311 R CA 1.034 57.118 56.100 -0.028 0.000 0.960 311 R CB -0.213 30.068 30.300 -0.031 0.000 0.856 311 R HN 0.011 nan 8.270 nan 0.000 0.436 312 V N 0.291 120.195 119.914 -0.016 0.000 2.427 312 V HA -0.290 3.831 4.120 0.001 0.000 0.248 312 V C 2.529 178.611 176.094 -0.020 0.000 1.051 312 V CA 1.635 63.929 62.300 -0.009 0.000 1.048 312 V CB -0.400 31.427 31.823 0.008 0.000 0.666 312 V HN 0.530 nan 8.190 nan 0.000 0.456 313 C N 0.069 119.330 119.300 -0.064 0.000 2.413 313 C HA -0.178 4.283 4.460 0.001 0.000 0.277 313 C C 2.488 177.491 174.990 0.021 0.000 1.265 313 C CA 0.950 59.961 59.018 -0.012 0.000 1.752 313 C CB -1.064 26.672 27.740 -0.007 0.000 1.998 313 C HN 0.594 nan 8.230 nan 0.000 0.489 314 D N 0.682 121.083 120.400 0.003 0.000 2.178 314 D HA -0.060 4.581 4.640 0.001 0.000 0.202 314 D C 2.029 178.319 176.300 -0.017 0.000 0.974 314 D CA 1.042 55.040 54.000 -0.003 0.000 0.841 314 D CB -0.310 40.482 40.800 -0.013 0.000 0.953 314 D HN 0.472 nan 8.370 nan 0.000 0.478 315 L N -0.173 121.039 121.223 -0.018 0.000 2.109 315 L HA -0.110 4.231 4.340 0.001 0.000 0.207 315 L C 2.191 179.029 176.870 -0.053 0.000 1.086 315 L CA 0.292 55.112 54.840 -0.033 0.000 0.760 315 L CB -0.174 41.875 42.059 -0.017 0.000 0.910 315 L HN 0.020 nan 8.230 nan 0.000 0.437 316 L N 0.673 121.891 121.223 -0.008 0.000 2.056 316 L HA -0.169 4.172 4.340 0.001 0.000 0.207 316 L C 3.045 179.879 176.870 -0.060 0.000 1.078 316 L CA 2.241 57.086 54.840 0.008 0.000 0.749 316 L CB -1.308 40.839 42.059 0.146 0.000 0.901 316 L HN 0.200 nan 8.230 nan 0.000 0.433 317 K N -0.452 119.941 120.400 -0.012 0.000 2.097 317 K HA 0.020 4.341 4.320 0.001 0.000 0.205 317 K C 2.198 178.746 176.600 -0.087 0.000 1.050 317 K CA 1.409 57.688 56.287 -0.013 0.000 0.938 317 K CB -1.358 31.161 32.500 0.032 0.000 0.718 317 K HN 0.423 nan 8.250 nan 0.000 0.442 318 A N 0.634 123.391 122.820 -0.105 0.000 2.015 318 A HA -0.042 4.279 4.320 0.001 0.000 0.219 318 A C 2.193 179.644 177.584 -0.222 0.000 1.163 318 A CA 1.931 53.892 52.037 -0.127 0.000 0.646 318 A CB -0.150 18.792 19.000 -0.097 0.000 0.806 318 A HN 0.626 nan 8.150 nan 0.000 0.448 319 E N -0.388 119.597 120.200 -0.358 0.000 2.190 319 E HA -0.019 4.332 4.350 0.001 0.000 0.191 319 E C -0.032 175.987 176.600 -0.969 0.000 0.978 319 E CA 0.669 56.673 56.400 -0.660 0.000 0.839 319 E CB 0.111 29.326 29.700 -0.809 0.000 0.787 319 E HN 0.704 nan 8.360 nan 0.000 0.473 320 H N -0.631 118.159 119.070 -0.467 0.000 2.607 320 H HA 0.183 4.740 4.556 0.001 0.000 0.248 320 H C -2.109 173.033 175.328 -0.309 0.000 1.355 320 H CA -1.617 54.061 56.048 -0.617 0.000 1.524 320 H CB 1.301 30.069 29.762 -1.656 0.000 1.563 320 H HN 0.141 nan 8.280 nan 0.000 0.509 321 P HA -0.085 nan 4.420 nan 0.000 0.233 321 P C 1.411 178.757 177.300 0.076 0.000 1.167 321 P CA 0.822 63.925 63.100 0.005 0.000 0.770 321 P CB 0.088 31.779 31.700 -0.014 0.000 0.837 322 T N -6.708 107.908 114.554 0.104 0.000 3.081 322 T HA 0.005 4.356 4.350 0.001 0.000 0.255 322 T C 0.503 175.380 174.700 0.294 0.000 1.113 322 T CA -0.362 61.837 62.100 0.166 0.000 1.082 322 T CB -0.614 68.344 68.868 0.150 0.000 0.939 322 T HN -0.147 nan 8.240 nan 0.000 0.506 323 W N 2.591 123.929 121.300 0.062 0.000 2.158 323 W HA 0.618 5.279 4.660 0.001 0.000 0.339 323 W C 1.153 177.696 176.519 0.040 0.000 1.294 323 W CA -0.792 56.576 57.345 0.038 0.000 1.231 323 W CB -0.026 29.457 29.460 0.039 0.000 1.143 323 W HN 0.275 nan 8.180 nan 0.000 0.571 324 G N 1.119 110.028 108.800 0.182 0.000 2.547 324 G HA2 0.072 4.033 3.960 0.001 0.000 0.291 324 G HA3 0.072 4.033 3.960 0.001 0.000 0.291 324 G C 0.403 175.378 174.900 0.126 0.000 1.211 324 G CA -0.109 45.061 45.100 0.115 0.000 0.950 324 G HN 0.511 nan 8.290 nan 0.000 0.504 325 D N -0.960 119.507 120.400 0.112 0.000 2.123 325 D HA -0.174 4.467 4.640 0.001 0.000 0.196 325 D C 2.022 178.384 176.300 0.103 0.000 0.992 325 D CA 1.644 55.715 54.000 0.119 0.000 0.833 325 D CB 0.099 40.972 40.800 0.122 0.000 0.954 325 D HN 0.424 nan 8.370 nan 0.000 0.455 326 E N 0.210 120.448 120.200 0.064 0.000 2.077 326 E HA -0.227 4.123 4.350 0.001 0.000 0.193 326 E C 2.044 178.673 176.600 0.049 0.000 0.989 326 E CA 1.314 57.745 56.400 0.051 0.000 0.800 326 E CB -0.320 29.395 29.700 0.025 0.000 0.746 326 E HN 0.467 nan 8.360 nan 0.000 0.452 327 Q N -0.351 119.408 119.800 -0.067 0.000 2.079 327 Q HA -0.103 4.237 4.340 0.001 0.000 0.200 327 Q C 2.236 178.179 176.000 -0.095 0.000 0.974 327 Q CA 1.326 56.975 55.803 -0.256 0.000 0.840 327 Q CB -0.105 28.226 28.738 -0.678 0.000 0.898 327 Q HN 0.354 nan 8.270 nan 0.000 0.430 328 L N -0.079 121.225 121.223 0.135 0.000 2.079 328 L HA -0.187 4.154 4.340 0.001 0.000 0.210 328 L C 2.306 179.291 176.870 0.191 0.000 1.081 328 L CA 1.260 56.265 54.840 0.276 0.000 0.752 328 L CB -0.505 41.725 42.059 0.284 0.000 0.896 328 L HN 0.315 nan 8.230 nan 0.000 0.433 329 F N 0.437 120.420 119.950 0.055 0.000 2.084 329 F HA -0.204 4.324 4.527 0.002 0.000 0.296 329 F C 2.721 178.549 175.800 0.048 0.000 1.111 329 F CA 1.454 59.509 58.000 0.091 0.000 1.224 329 F CB -0.200 38.817 39.000 0.029 0.000 0.991 329 F HN -0.004 nan 8.300 nan 0.000 0.471 330 Q N 0.038 119.812 119.800 -0.043 0.000 2.124 330 Q HA -0.134 4.207 4.340 0.001 0.000 0.202 330 Q C 2.208 178.095 176.000 -0.189 0.000 0.977 330 Q CA 2.143 57.833 55.803 -0.189 0.000 0.850 330 Q CB -1.176 27.530 28.738 -0.053 0.000 0.901 330 Q HN 0.432 nan 8.270 nan 0.000 0.429 331 T N 1.381 115.872 114.554 -0.105 0.000 2.821 331 T HA -0.059 4.292 4.350 0.001 0.000 0.267 331 T C 1.908 176.640 174.700 0.052 0.000 1.046 331 T CA 1.309 63.401 62.100 -0.014 0.000 1.139 331 T CB -0.203 68.739 68.868 0.122 0.000 0.871 331 T HN 0.398 nan 8.240 nan 0.000 0.454 332 A N 1.616 124.429 122.820 -0.011 0.000 1.969 332 A HA -0.054 4.267 4.320 0.001 0.000 0.218 332 A C 2.295 179.896 177.584 0.029 0.000 1.169 332 A CA 1.597 53.613 52.037 -0.035 0.000 0.635 332 A CB -0.549 18.273 19.000 -0.298 0.000 0.810 332 A HN 0.424 nan 8.150 nan 0.000 0.445 333 R N -0.194 120.219 120.500 -0.144 0.000 2.073 333 R HA -0.045 4.296 4.340 0.001 0.000 0.234 333 R C 1.857 178.190 176.300 0.054 0.000 1.134 333 R CA 1.556 57.540 56.100 -0.193 0.000 0.952 333 R CB -0.396 29.470 30.300 -0.723 0.000 0.850 333 R HN 0.508 nan 8.270 nan 0.000 0.433 334 L N 0.292 121.566 121.223 0.084 0.000 2.141 334 L HA -0.138 4.202 4.340 0.001 0.000 0.209 334 L C 2.381 179.565 176.870 0.523 0.000 1.094 334 L CA 0.984 55.986 54.840 0.269 0.000 0.763 334 L CB -0.336 41.799 42.059 0.128 0.000 0.908 334 L HN 0.254 nan 8.230 nan 0.000 0.437 335 I N -0.468 120.378 120.570 0.461 0.000 2.179 335 I HA -0.298 3.873 4.170 0.001 0.000 0.242 335 I C 2.304 178.604 176.117 0.306 0.000 1.088 335 I CA 1.241 62.762 61.300 0.368 0.000 1.357 335 I CB -0.141 38.027 38.000 0.279 0.000 1.051 335 I HN 0.165 nan 8.210 nan 0.000 0.409 336 L N 0.061 121.479 121.223 0.324 0.000 2.201 336 L HA -0.128 4.213 4.340 0.001 0.000 0.212 336 L C 2.244 179.283 176.870 0.281 0.000 1.105 336 L CA 1.577 56.644 54.840 0.379 0.000 0.775 336 L CB -0.419 41.904 42.059 0.440 0.000 0.913 336 L HN 0.160 nan 8.230 nan 0.000 0.440 337 I N -1.001 119.729 120.570 0.268 0.000 2.226 337 I HA -0.225 3.946 4.170 0.001 0.000 0.245 337 I C 2.435 178.712 176.117 0.267 0.000 1.100 337 I CA 1.468 62.913 61.300 0.241 0.000 1.374 337 I CB -0.757 37.402 38.000 0.265 0.000 1.057 337 I HN 0.327 nan 8.210 nan 0.000 0.413 338 G N -0.116 108.894 108.800 0.349 0.000 2.422 338 G HA2 -0.188 3.773 3.960 0.001 0.000 0.218 338 G HA3 -0.188 3.773 3.960 0.001 0.000 0.218 338 G C 1.521 176.573 174.900 0.253 0.000 1.140 338 G CA 0.384 45.702 45.100 0.362 0.000 0.775 338 G HN 0.386 nan 8.290 nan 0.000 0.545 339 E N 0.020 120.385 120.200 0.275 0.000 2.106 339 E HA -0.090 4.260 4.350 0.001 0.000 0.192 339 E C 2.764 179.568 176.600 0.340 0.000 0.984 339 E CA 1.365 57.950 56.400 0.308 0.000 0.806 339 E CB -0.111 29.830 29.700 0.401 0.000 0.750 339 E HN 0.365 nan 8.360 nan 0.000 0.458 340 T N 1.632 116.386 114.554 0.333 0.000 2.643 340 T HA -0.154 4.197 4.350 0.001 0.000 0.264 340 T C 2.047 176.784 174.700 0.061 0.000 1.045 340 T CA 1.152 63.413 62.100 0.268 0.000 1.155 340 T CB -0.351 68.575 68.868 0.095 0.000 0.863 340 T HN 0.105 nan 8.240 nan 0.000 0.420 341 I N 1.307 121.832 120.570 -0.076 0.000 2.194 341 I HA -0.241 3.929 4.170 0.001 0.000 0.246 341 I C 2.567 178.374 176.117 -0.516 0.000 1.093 341 I CA 1.362 62.457 61.300 -0.343 0.000 1.355 341 I CB -0.414 37.256 38.000 -0.550 0.000 1.046 341 I HN 0.165 nan 8.210 nan 0.000 0.413 342 K N 1.884 122.026 120.400 -0.430 0.000 2.009 342 K HA -0.154 4.166 4.320 0.001 0.000 0.210 342 K C 1.853 178.478 176.600 0.042 0.000 1.049 342 K CA 1.866 58.090 56.287 -0.105 0.000 0.929 342 K CB -0.419 32.182 32.500 0.168 0.000 0.714 342 K HN 0.284 nan 8.250 nan 0.000 0.440 343 I N 0.007 120.635 120.570 0.097 0.000 2.353 343 I HA -0.209 3.962 4.170 0.001 0.000 0.248 343 I C 2.073 178.249 176.117 0.099 0.000 1.119 343 I CA 0.639 62.029 61.300 0.150 0.000 1.417 343 I CB -0.136 38.014 38.000 0.250 0.000 1.078 343 I HN -0.033 nan 8.210 nan 0.000 0.421 344 V N 1.199 121.106 119.914 -0.012 0.000 2.287 344 V HA -0.295 3.826 4.120 0.001 0.000 0.248 344 V C 2.282 178.420 176.094 0.072 0.000 1.053 344 V CA 2.051 64.273 62.300 -0.131 0.000 1.027 344 V CB -0.361 31.198 31.823 -0.440 0.000 0.646 344 V HN 0.322 nan 8.190 nan 0.000 0.447 345 I N -0.547 120.054 120.570 0.052 0.000 2.233 345 I HA -0.159 4.011 4.170 0.001 0.000 0.243 345 I C 2.407 178.612 176.117 0.146 0.000 1.093 345 I CA 1.497 62.872 61.300 0.124 0.000 1.380 345 I CB -0.305 37.770 38.000 0.124 0.000 1.067 345 I HN 0.323 nan 8.210 nan 0.000 0.413 346 E N 0.035 120.320 120.200 0.142 0.000 2.435 346 E HA -0.077 4.273 4.350 0.001 0.000 0.195 346 E C 1.315 178.003 176.600 0.148 0.000 1.029 346 E CA 0.598 57.084 56.400 0.143 0.000 0.865 346 E CB 0.348 30.135 29.700 0.144 0.000 0.833 346 E HN 0.562 nan 8.360 nan 0.000 0.510 347 E N -0.995 119.318 120.200 0.189 0.000 2.717 347 E HA -0.010 4.341 4.350 0.001 0.000 0.204 347 E C 1.374 178.107 176.600 0.222 0.000 0.911 347 E CA -0.146 56.425 56.400 0.284 0.000 1.370 347 E CB -0.113 29.834 29.700 0.411 0.000 1.315 347 E HN 0.069 nan 8.360 nan 0.000 0.643 348 Y N 1.956 122.177 120.300 -0.131 0.000 2.145 348 Y HA -0.200 4.351 4.550 0.001 0.000 0.286 348 Y C 2.046 177.915 175.900 -0.052 0.000 1.145 348 Y CA 1.492 59.281 58.100 -0.518 0.000 1.148 348 Y CB -0.007 38.073 38.460 -0.633 0.000 0.981 348 Y HN -0.172 nan 8.280 nan 0.000 0.507 349 V N 0.277 120.276 119.914 0.141 0.000 2.591 349 V HA -0.224 3.897 4.120 0.001 0.000 0.249 349 V C 2.203 178.284 176.094 -0.022 0.000 1.053 349 V CA 1.791 64.150 62.300 0.098 0.000 1.068 349 V CB -0.610 31.332 31.823 0.199 0.000 0.689 349 V HN 0.344 nan 8.190 nan 0.000 0.462 350 Q N 0.503 120.313 119.800 0.016 0.000 2.084 350 Q HA -0.259 4.082 4.340 0.001 0.000 0.202 350 Q C 2.211 178.163 176.000 -0.080 0.000 0.978 350 Q CA 2.235 58.032 55.803 -0.009 0.000 0.844 350 Q CB -0.347 28.424 28.738 0.055 0.000 0.898 350 Q HN 0.659 nan 8.270 nan 0.000 0.426 351 Q N -0.682 119.073 119.800 -0.074 0.000 2.083 351 Q HA -0.080 4.261 4.340 0.001 0.000 0.198 351 Q C 1.790 177.597 176.000 -0.321 0.000 0.969 351 Q CA 1.306 57.020 55.803 -0.149 0.000 0.838 351 Q CB -0.421 28.274 28.738 -0.072 0.000 0.900 351 Q HN 0.450 nan 8.270 nan 0.000 0.436 352 L N 0.048 121.063 121.223 -0.346 0.000 2.023 352 L HA -0.080 4.261 4.340 0.001 0.000 0.205 352 L C 2.277 178.927 176.870 -0.367 0.000 1.073 352 L CA 2.290 56.883 54.840 -0.412 0.000 0.745 352 L CB -0.847 41.090 42.059 -0.202 0.000 0.900 352 L HN 0.418 nan 8.230 nan 0.000 0.435 353 S N -0.881 114.607 115.700 -0.353 0.000 2.406 353 S HA 0.082 4.553 4.470 0.001 0.000 0.228 353 S C 1.687 175.976 174.600 -0.518 0.000 1.020 353 S CA 0.515 58.372 58.200 -0.572 0.000 0.965 353 S CB -0.827 61.663 63.200 -1.183 0.000 0.798 353 S HN 0.816 nan 8.310 nan 0.000 0.488 354 G N 0.372 108.958 108.800 -0.355 0.000 2.160 354 G HA2 -0.292 3.669 3.960 0.001 0.000 0.251 354 G HA3 -0.292 3.669 3.960 0.001 0.000 0.251 354 G C -0.037 174.827 174.900 -0.061 0.000 1.008 354 G CA 0.275 45.261 45.100 -0.191 0.000 0.724 354 G HN 0.680 nan 8.290 nan 0.000 0.514 355 Y N -1.028 119.189 120.300 -0.138 0.000 2.497 355 Y HA 0.286 4.837 4.550 0.002 0.000 0.334 355 Y C 1.566 177.392 175.900 -0.124 0.000 1.199 355 Y CA -0.988 56.975 58.100 -0.227 0.000 1.425 355 Y CB 0.317 38.627 38.460 -0.250 0.000 1.291 355 Y HN 0.034 nan 8.280 nan 0.000 0.562 356 F N 1.495 121.134 119.950 -0.519 0.000 2.456 356 F HA -0.022 4.506 4.527 0.001 0.000 0.298 356 F C 0.804 176.241 175.800 -0.606 0.000 1.104 356 F CA -0.115 57.532 58.000 -0.588 0.000 1.435 356 F CB -0.429 38.104 39.000 -0.779 0.000 1.078 356 F HN 0.297 nan 8.300 nan 0.000 0.546 357 L N 1.625 122.435 121.223 -0.688 0.000 2.500 357 L HA 0.108 4.449 4.340 0.001 0.000 0.272 357 L C 0.318 177.142 176.870 -0.076 0.000 1.149 357 L CA -0.183 54.421 54.840 -0.393 0.000 0.897 357 L CB 0.108 41.857 42.059 -0.517 0.000 1.178 357 L HN -0.009 nan 8.230 nan 0.000 0.473 358 Q N 4.290 124.102 119.800 0.019 0.000 2.300 358 Q HA 0.299 4.640 4.340 0.001 0.000 0.262 358 Q C -0.868 175.171 176.000 0.065 0.000 1.109 358 Q CA 0.430 56.258 55.803 0.042 0.000 0.905 358 Q CB 0.226 28.993 28.738 0.049 0.000 1.280 358 Q HN 0.717 nan 8.270 nan 0.000 0.426 359 L N 3.369 124.641 121.223 0.082 0.000 2.452 359 L HA 0.288 4.629 4.340 0.001 0.000 0.267 359 L C 0.354 177.289 176.870 0.108 0.000 1.188 359 L CA 0.179 55.084 54.840 0.108 0.000 0.821 359 L CB 0.517 42.658 42.059 0.138 0.000 1.102 359 L HN 0.487 nan 8.230 nan 0.000 0.470 360 K N 2.260 122.728 120.400 0.114 0.000 2.507 360 K HA 0.292 4.613 4.320 0.001 0.000 0.251 360 K C -1.497 175.195 176.600 0.153 0.000 0.943 360 K CA -0.697 55.656 56.287 0.110 0.000 0.794 360 K CB 1.395 33.928 32.500 0.057 0.000 1.188 360 K HN 0.320 nan 8.250 nan 0.000 0.428 361 F N 4.622 124.581 119.950 0.015 0.000 2.405 361 F HA 0.312 4.840 4.527 0.002 0.000 0.358 361 F C -0.891 174.867 175.800 -0.071 0.000 1.151 361 F CA -0.530 57.460 58.000 -0.016 0.000 1.161 361 F CB 0.451 39.466 39.000 0.026 0.000 1.245 361 F HN 0.488 nan 8.300 nan 0.000 0.545 362 D N 8.137 128.245 120.400 -0.487 0.000 2.375 362 D HA 0.349 4.990 4.640 0.001 0.000 0.241 362 D C -2.276 173.614 176.300 -0.684 0.000 1.361 362 D CA -1.947 51.685 54.000 -0.613 0.000 0.995 362 D CB 1.970 42.590 40.800 -0.299 0.000 1.312 362 D HN 0.166 nan 8.370 nan 0.000 0.576 363 P HA -0.064 nan 4.420 nan 0.000 0.220 363 P C 0.740 177.542 177.300 -0.829 0.000 1.148 363 P CA 0.781 63.384 63.100 -0.829 0.000 0.803 363 P CB 0.350 31.335 31.700 -1.192 0.000 0.782 364 E N -0.715 118.837 120.200 -1.080 0.000 2.409 364 E HA -0.083 4.268 4.350 0.001 0.000 0.198 364 E C 1.669 177.935 176.600 -0.557 0.000 1.024 364 E CA 0.386 55.998 56.400 -1.314 0.000 0.861 364 E CB -0.500 28.745 29.700 -0.757 0.000 0.788 364 E HN 0.326 nan 8.360 nan 0.000 0.521 365 L N 0.121 121.132 121.223 -0.352 0.000 2.141 365 L HA -0.141 4.200 4.340 0.001 0.000 0.209 365 L C 1.998 178.833 176.870 -0.058 0.000 1.094 365 L CA 0.842 55.590 54.840 -0.153 0.000 0.763 365 L CB -0.105 41.874 42.059 -0.133 0.000 0.908 365 L HN 0.179 nan 8.230 nan 0.000 0.437 366 L N -1.704 119.495 121.223 -0.040 0.000 2.592 366 L HA 0.025 4.366 4.340 0.001 0.000 0.227 366 L C 1.834 178.890 176.870 0.310 0.000 1.127 366 L CA 0.108 54.980 54.840 0.054 0.000 0.884 366 L CB -0.240 41.722 42.059 -0.162 0.000 1.065 366 L HN 0.197 nan 8.230 nan 0.000 0.457 367 F N 0.233 120.204 119.950 0.035 0.000 2.502 367 F HA -0.032 4.496 4.527 0.001 0.000 0.298 367 F C 1.971 177.815 175.800 0.074 0.000 1.111 367 F CA 0.297 58.345 58.000 0.079 0.000 1.445 367 F CB 0.200 39.242 39.000 0.070 0.000 1.081 367 F HN 0.176 nan 8.300 nan 0.000 0.558 368 G N -0.178 108.759 108.800 0.230 0.000 3.690 368 G HA2 0.536 4.497 3.960 0.001 0.000 0.283 368 G HA3 0.536 4.497 3.960 0.001 0.000 0.283 368 G C -0.252 174.711 174.900 0.106 0.000 1.057 368 G CA 0.228 45.412 45.100 0.139 0.000 0.821 368 G HN 0.230 nan 8.290 nan 0.000 0.526 369 A N -0.359 122.534 122.820 0.123 0.000 2.479 369 A HA 0.741 5.062 4.320 0.001 0.000 0.296 369 A C -0.481 177.174 177.584 0.118 0.000 1.121 369 A CA -0.710 51.388 52.037 0.102 0.000 0.743 369 A CB 1.157 20.213 19.000 0.094 0.000 1.323 369 A HN 0.156 nan 8.150 nan 0.000 0.415 370 Q N 0.613 120.469 119.800 0.094 0.000 2.402 370 Q HA 0.436 4.777 4.340 0.001 0.000 0.238 370 Q C -1.650 174.412 176.000 0.103 0.000 1.126 370 Q CA 0.401 56.249 55.803 0.076 0.000 0.904 370 Q CB 0.453 29.208 28.738 0.029 0.000 1.357 370 Q HN 0.493 nan 8.270 nan 0.000 0.491 371 F N 1.440 121.326 119.950 -0.107 0.000 2.565 371 F HA 0.285 4.813 4.527 0.001 0.000 0.313 371 F C -0.905 174.701 175.800 -0.324 0.000 1.091 371 F CA -0.865 56.996 58.000 -0.232 0.000 0.915 371 F CB 1.867 40.674 39.000 -0.322 0.000 1.208 371 F HN 0.214 nan 8.300 nan 0.000 0.453 372 Q N 5.275 124.594 119.800 -0.802 0.000 2.340 372 Q HA 0.170 4.511 4.340 0.001 0.000 0.259 372 Q C -1.266 174.425 176.000 -0.514 0.000 0.964 372 Q CA -0.317 55.191 55.803 -0.492 0.000 0.900 372 Q CB 1.224 29.745 28.738 -0.361 0.000 1.228 372 Q HN 0.717 nan 8.270 nan 0.000 0.449 373 Y N 3.257 123.559 120.300 0.004 0.000 2.851 373 Y HA 0.111 4.662 4.550 0.001 0.000 0.369 373 Y C 0.758 176.655 175.900 -0.004 0.000 1.226 373 Y CA -0.277 57.872 58.100 0.081 0.000 1.949 373 Y CB 0.048 38.560 38.460 0.087 0.000 2.059 373 Y HN 0.343 nan 8.280 nan 0.000 0.420 374 R N -0.060 120.452 120.500 0.021 0.000 2.764 374 R HA 0.538 4.879 4.340 0.001 0.000 0.270 374 R C -1.874 174.397 176.300 -0.048 0.000 1.014 374 R CA -1.005 55.091 56.100 -0.008 0.000 0.904 374 R CB 1.934 32.213 30.300 -0.036 0.000 1.236 374 R HN 0.251 nan 8.270 nan 0.000 0.466 375 N N 0.613 119.288 118.700 -0.042 0.000 2.308 375 N HA 0.338 5.079 4.740 0.001 0.000 0.283 375 N C -1.726 173.736 175.510 -0.079 0.000 1.105 375 N CA -0.702 52.321 53.050 -0.044 0.000 0.840 375 N CB 2.599 41.083 38.487 -0.004 0.000 1.633 375 N HN 0.560 nan 8.380 nan 0.000 0.476 376 R N 3.239 123.688 120.500 -0.085 0.000 2.532 376 R HA 0.438 4.779 4.340 0.001 0.000 0.297 376 R C -0.703 175.648 176.300 0.085 0.000 0.984 376 R CA -0.559 55.439 56.100 -0.170 0.000 0.884 376 R CB 0.593 30.736 30.300 -0.261 0.000 1.182 376 R HN 0.460 nan 8.270 nan 0.000 0.442 377 I N 3.637 124.422 120.570 0.357 0.000 2.598 377 I HA 0.204 4.374 4.170 0.001 0.000 0.284 377 I C 0.607 176.961 176.117 0.394 0.000 1.140 377 I CA 0.079 61.623 61.300 0.407 0.000 1.420 377 I CB 0.355 38.665 38.000 0.515 0.000 1.387 377 I HN 0.698 nan 8.210 nan 0.000 0.553 378 A N 7.354 130.309 122.820 0.225 0.000 2.304 378 A HA 0.498 4.819 4.320 0.001 0.000 0.301 378 A C 1.222 178.789 177.584 -0.029 0.000 1.132 378 A CA -0.699 51.405 52.037 0.112 0.000 0.819 378 A CB 0.859 19.893 19.000 0.056 0.000 1.094 378 A HN 0.827 nan 8.150 nan 0.000 0.492 379 M N 0.104 119.652 119.600 -0.085 0.000 2.296 379 M HA -0.089 4.392 4.480 0.001 0.000 0.265 379 M C 0.873 177.006 176.300 -0.278 0.000 1.064 379 M CA 2.110 57.232 55.300 -0.296 0.000 1.109 379 M CB -0.754 31.739 32.600 -0.178 0.000 1.396 379 M HN 0.717 nan 8.290 nan 0.000 0.430 380 E N 0.823 120.885 120.200 -0.230 0.000 2.152 380 E HA -0.067 4.283 4.350 0.001 0.000 0.192 380 E C 1.658 178.194 176.600 -0.108 0.000 0.983 380 E CA 1.074 57.282 56.400 -0.320 0.000 0.818 380 E CB -0.353 29.137 29.700 -0.350 0.000 0.758 380 E HN 0.500 nan 8.360 nan 0.000 0.467 381 F N 1.594 121.228 119.950 -0.527 0.000 2.259 381 F HA -0.049 4.479 4.527 0.002 0.000 0.298 381 F C 1.847 177.510 175.800 -0.228 0.000 1.088 381 F CA 0.880 58.620 58.000 -0.432 0.000 1.358 381 F CB -0.239 38.340 39.000 -0.702 0.000 1.040 381 F HN 0.011 nan 8.300 nan 0.000 0.505 382 N N 0.314 118.733 118.700 -0.469 0.000 2.058 382 N HA -0.181 4.560 4.740 0.001 0.000 0.191 382 N C 1.847 177.020 175.510 -0.561 0.000 1.037 382 N CA 1.406 53.797 53.050 -1.098 0.000 0.848 382 N CB -0.253 37.678 38.487 -0.928 0.000 1.021 382 N HN 0.345 nan 8.380 nan 0.000 0.422 383 Q N 0.827 120.519 119.800 -0.180 0.000 2.061 383 Q HA -0.161 4.180 4.340 0.001 0.000 0.204 383 Q C 2.295 178.472 176.000 0.295 0.000 0.984 383 Q CA 0.905 56.758 55.803 0.084 0.000 0.846 383 Q CB -0.539 28.297 28.738 0.164 0.000 0.902 383 Q HN 0.458 nan 8.270 nan 0.000 0.421 384 L N -0.747 120.661 121.223 0.308 0.000 2.131 384 L HA -0.160 4.181 4.340 0.001 0.000 0.210 384 L C 1.748 178.729 176.870 0.184 0.000 1.092 384 L CA 1.262 56.294 54.840 0.320 0.000 0.759 384 L CB -0.184 42.098 42.059 0.371 0.000 0.903 384 L HN 0.154 nan 8.230 nan 0.000 0.435 385 Y N -0.985 119.151 120.300 -0.274 0.000 2.462 385 Y HA 0.017 4.568 4.550 0.001 0.000 0.293 385 Y C 0.279 175.743 175.900 -0.726 0.000 1.195 385 Y CA -0.370 57.255 58.100 -0.790 0.000 1.276 385 Y CB -0.025 37.910 38.460 -0.875 0.000 1.082 385 Y HN 0.248 nan 8.280 nan 0.000 0.514 386 H N -0.241 118.822 119.070 -0.011 0.000 3.195 386 H HA -0.034 4.523 4.556 0.001 0.000 0.241 386 H C -0.732 174.916 175.328 0.533 0.000 1.823 386 H CA -0.057 56.124 56.048 0.222 0.000 1.466 386 H CB -0.571 29.291 29.762 0.167 0.000 1.819 386 H HN 0.264 nan 8.280 nan 0.000 0.575 387 W N 1.605 123.047 121.300 0.237 0.000 1.809 387 W HA 0.138 4.798 4.660 0.001 0.000 0.399 387 W C 0.211 176.797 176.519 0.110 0.000 0.636 387 W CA -0.868 56.604 57.345 0.211 0.000 2.178 387 W CB -1.108 28.496 29.460 0.239 0.000 1.632 387 W HN 0.682 nan 8.180 nan 0.000 0.470 388 H N 0.317 119.628 119.070 0.402 0.000 2.495 388 H HA -0.040 4.517 4.556 0.001 0.000 0.287 388 H C -0.531 174.940 175.328 0.237 0.000 1.033 388 H CA 1.000 57.221 56.048 0.288 0.000 1.307 388 H CB -1.089 28.819 29.762 0.243 0.000 1.401 388 H HN 0.030 nan 8.280 nan 0.000 0.555 389 P HA -0.141 nan 4.420 nan 0.000 0.221 389 P C 1.128 178.525 177.300 0.161 0.000 1.145 389 P CA 1.027 64.240 63.100 0.188 0.000 0.795 389 P CB 0.017 31.784 31.700 0.113 0.000 0.775 390 L N -2.571 118.763 121.223 0.184 0.000 2.127 390 L HA -0.113 4.228 4.340 0.001 0.000 0.211 390 L C 1.413 178.362 176.870 0.132 0.000 1.089 390 L CA 0.728 55.656 54.840 0.148 0.000 0.757 390 L CB -0.647 41.533 42.059 0.202 0.000 0.899 390 L HN 0.077 nan 8.230 nan 0.000 0.434 391 M N 0.350 120.038 119.600 0.148 0.000 2.245 391 M HA 0.163 4.643 4.480 0.001 0.000 0.344 391 M C -1.965 174.417 176.300 0.136 0.000 1.170 391 M CA -1.515 53.850 55.300 0.108 0.000 1.135 391 M CB 0.106 32.861 32.600 0.259 0.000 1.574 391 M HN -0.184 nan 8.290 nan 0.000 0.452 392 P HA 0.305 nan 4.420 nan 0.000 0.332 392 P C -0.097 177.137 177.300 -0.110 0.000 1.298 392 P CA -0.230 62.743 63.100 -0.211 0.000 0.755 392 P CB 0.745 32.094 31.700 -0.585 0.000 1.465 393 D N -1.716 118.545 120.400 -0.231 0.000 2.194 393 D HA 0.013 4.654 4.640 0.001 0.000 0.204 393 D C 0.869 177.200 176.300 0.051 0.000 0.964 393 D CA 1.243 55.244 54.000 0.001 0.000 0.846 393 D CB -0.018 40.752 40.800 -0.050 0.000 0.962 393 D HN 0.429 nan 8.370 nan 0.000 0.490 394 S N -1.331 114.207 115.700 -0.270 0.000 2.776 394 S HA 0.629 5.099 4.470 0.001 0.000 0.292 394 S C -1.255 172.940 174.600 -0.675 0.000 1.187 394 S CA -0.963 57.070 58.200 -0.279 0.000 0.834 394 S CB 1.106 64.262 63.200 -0.073 0.000 1.199 394 S HN -0.088 nan 8.310 nan 0.000 0.514 395 F N 0.566 120.409 119.950 -0.178 0.000 2.552 395 F HA 0.634 5.162 4.527 0.001 0.000 0.369 395 F C 0.917 176.689 175.800 -0.046 0.000 1.112 395 F CA -0.677 57.199 58.000 -0.207 0.000 1.129 395 F CB 1.072 39.715 39.000 -0.594 0.000 1.360 395 F HN 0.884 nan 8.300 nan 0.000 0.473 396 R N 1.582 122.100 120.500 0.031 0.000 2.288 396 R HA 0.626 4.967 4.340 0.001 0.000 0.330 396 R C -0.912 175.367 176.300 -0.035 0.000 1.069 396 R CA -0.245 55.850 56.100 -0.009 0.000 0.941 396 R CB 0.168 30.430 30.300 -0.063 0.000 0.998 396 R HN 0.421 nan 8.270 nan 0.000 0.452 397 V N 3.841 123.733 119.914 -0.037 0.000 2.284 397 V HA 0.629 4.750 4.120 0.001 0.000 0.274 397 V C 1.334 177.322 176.094 -0.175 0.000 1.023 397 V CA 0.294 62.470 62.300 -0.206 0.000 0.808 397 V CB 0.139 31.731 31.823 -0.385 0.000 1.035 397 V HN 1.553 nan 8.190 nan 0.000 0.445 398 G N 7.226 115.940 108.800 -0.143 0.000 2.556 398 G HA2 -0.213 3.748 3.960 0.001 0.000 0.283 398 G HA3 -0.213 3.748 3.960 0.001 0.000 0.283 398 G C -0.685 174.184 174.900 -0.053 0.000 1.177 398 G CA 0.272 45.325 45.100 -0.078 0.000 0.978 398 G HN 0.588 nan 8.290 nan 0.000 0.554 399 P HA 0.107 nan 4.420 nan 0.000 0.233 399 P C 0.577 177.842 177.300 -0.059 0.000 1.167 399 P CA 0.985 64.067 63.100 -0.030 0.000 0.770 399 P CB 0.140 31.837 31.700 -0.006 0.000 0.837 400 Q N 0.742 120.494 119.800 -0.080 0.000 2.227 400 Q HA 0.279 4.620 4.340 0.001 0.000 0.245 400 Q C -0.726 175.131 176.000 -0.238 0.000 0.926 400 Q CA 0.071 55.748 55.803 -0.210 0.000 0.895 400 Q CB 1.268 29.812 28.738 -0.324 0.000 1.230 400 Q HN -0.005 nan 8.270 nan 0.000 0.450 401 D N 1.024 121.240 120.400 -0.306 0.000 2.440 401 D HA 0.240 4.881 4.640 0.001 0.000 0.252 401 D C -1.520 174.668 176.300 -0.186 0.000 1.180 401 D CA -0.309 53.584 54.000 -0.179 0.000 0.894 401 D CB 0.275 41.013 40.800 -0.103 0.000 1.111 401 D HN 0.214 nan 8.370 nan 0.000 0.544 402 Y N 1.982 122.336 120.300 0.090 0.000 2.327 402 Y HA 0.269 4.820 4.550 0.001 0.000 0.336 402 Y C 1.285 177.295 175.900 0.183 0.000 1.035 402 Y CA -0.650 57.543 58.100 0.154 0.000 1.165 402 Y CB 1.191 39.780 38.460 0.215 0.000 1.181 402 Y HN 0.315 nan 8.280 nan 0.000 0.494 403 S N 1.699 117.596 115.700 0.327 0.000 2.634 403 S HA 0.079 4.550 4.470 0.001 0.000 0.261 403 S C 0.829 175.630 174.600 0.335 0.000 1.271 403 S CA -0.473 57.902 58.200 0.292 0.000 0.985 403 S CB 0.341 63.685 63.200 0.240 0.000 0.968 403 S HN 0.688 nan 8.310 nan 0.000 0.568 404 Y N 1.448 121.809 120.300 0.101 0.000 2.207 404 Y HA -0.137 4.414 4.550 0.001 0.000 0.287 404 Y C 2.755 178.707 175.900 0.086 0.000 1.156 404 Y CA 1.848 59.979 58.100 0.052 0.000 1.182 404 Y CB -0.163 38.009 38.460 -0.479 0.000 0.979 404 Y HN 0.735 nan 8.280 nan 0.000 0.521 405 E N 0.015 120.363 120.200 0.246 0.000 2.274 405 E HA -0.183 4.168 4.350 0.001 0.000 0.194 405 E C 1.493 178.218 176.600 0.208 0.000 0.996 405 E CA 0.963 57.503 56.400 0.233 0.000 0.840 405 E CB -0.456 29.382 29.700 0.230 0.000 0.772 405 E HN 0.619 nan 8.360 nan 0.000 0.491 406 Q N -0.789 119.151 119.800 0.234 0.000 2.302 406 Q HA 0.083 4.424 4.340 0.001 0.000 0.202 406 Q C 1.470 177.557 176.000 0.145 0.000 0.936 406 Q CA 0.556 56.499 55.803 0.233 0.000 0.886 406 Q CB 0.044 29.018 28.738 0.393 0.000 0.986 406 Q HN 0.219 nan 8.270 nan 0.000 0.487 407 F N 0.436 120.355 119.950 -0.051 0.000 2.274 407 F HA 0.130 4.658 4.527 0.001 0.000 0.288 407 F C 0.357 175.970 175.800 -0.311 0.000 1.069 407 F CA -0.098 57.744 58.000 -0.263 0.000 1.343 407 F CB 0.306 39.002 39.000 -0.507 0.000 1.089 407 F HN -0.101 nan 8.300 nan 0.000 0.517 408 L N 1.310 122.394 121.223 -0.233 0.000 2.453 408 L HA 0.051 4.392 4.340 0.001 0.000 0.272 408 L C 0.014 176.648 176.870 -0.392 0.000 1.182 408 L CA 0.791 55.319 54.840 -0.520 0.000 0.858 408 L CB -0.550 41.190 42.059 -0.531 0.000 1.120 408 L HN 0.396 nan 8.230 nan 0.000 0.474 409 F N 0.101 119.965 119.950 -0.144 0.000 3.048 409 F HA -0.306 4.222 4.527 0.001 0.000 0.287 409 F C 0.932 176.675 175.800 -0.094 0.000 0.796 409 F CA 0.273 58.217 58.000 -0.094 0.000 1.111 409 F CB -1.500 37.489 39.000 -0.018 0.000 1.320 409 F HN 0.651 nan 8.300 nan 0.000 0.430 410 N N 1.588 120.223 118.700 -0.107 0.000 2.420 410 N HA 0.129 4.870 4.740 0.001 0.000 0.262 410 N C 1.047 176.496 175.510 -0.101 0.000 1.144 410 N CA 0.943 53.924 53.050 -0.115 0.000 0.952 410 N CB 1.139 39.484 38.487 -0.236 0.000 1.081 410 N HN 0.294 nan 8.380 nan 0.000 0.480 411 T N -0.885 113.658 114.554 -0.019 0.000 3.086 411 T HA 0.033 4.384 4.350 0.001 0.000 0.250 411 T C 1.387 176.049 174.700 -0.063 0.000 1.074 411 T CA 0.425 62.529 62.100 0.006 0.000 0.988 411 T CB -0.067 68.846 68.868 0.075 0.000 0.988 411 T HN 0.401 nan 8.240 nan 0.000 0.530 412 S N 0.337 115.981 115.700 -0.092 0.000 2.564 412 S HA 0.240 4.711 4.470 0.001 0.000 0.231 412 S C 1.928 176.448 174.600 -0.135 0.000 1.067 412 S CA -0.077 58.054 58.200 -0.114 0.000 0.908 412 S CB -0.429 62.715 63.200 -0.093 0.000 0.809 412 S HN 0.295 nan 8.310 nan 0.000 0.491 413 M N 1.130 120.650 119.600 -0.134 0.000 2.106 413 M HA -0.100 4.381 4.480 0.001 0.000 0.259 413 M C 2.079 178.366 176.300 -0.021 0.000 1.068 413 M CA 1.739 56.988 55.300 -0.085 0.000 1.100 413 M CB -0.365 32.152 32.600 -0.138 0.000 1.351 413 M HN 0.454 nan 8.290 nan 0.000 0.404 414 L N -0.065 121.110 121.223 -0.079 0.000 2.012 414 L HA -0.158 4.183 4.340 0.001 0.000 0.210 414 L C 2.034 178.851 176.870 -0.090 0.000 1.073 414 L CA 1.650 56.462 54.840 -0.046 0.000 0.748 414 L CB -0.568 41.450 42.059 -0.069 0.000 0.891 414 L HN 0.189 nan 8.230 nan 0.000 0.431 415 V N -0.392 119.366 119.914 -0.261 0.000 2.453 415 V HA -0.210 3.911 4.120 0.001 0.000 0.247 415 V C 2.243 178.251 176.094 -0.142 0.000 1.048 415 V CA 1.658 63.748 62.300 -0.350 0.000 1.049 415 V CB -0.828 30.751 31.823 -0.407 0.000 0.672 415 V HN 0.439 nan 8.190 nan 0.000 0.457 416 D N -0.506 119.804 120.400 -0.150 0.000 2.092 416 D HA -0.183 4.458 4.640 0.001 0.000 0.193 416 D C 2.057 178.213 176.300 -0.240 0.000 0.994 416 D CA 1.930 55.797 54.000 -0.221 0.000 0.828 416 D CB -0.197 40.408 40.800 -0.324 0.000 0.963 416 D HN 0.564 nan 8.370 nan 0.000 0.450 417 Y N 0.134 120.416 120.300 -0.030 0.000 2.347 417 Y HA 0.259 4.810 4.550 0.001 0.000 0.294 417 Y C 1.634 177.539 175.900 0.009 0.000 1.117 417 Y CA 0.639 58.730 58.100 -0.014 0.000 1.184 417 Y CB 0.353 38.791 38.460 -0.037 0.000 1.047 417 Y HN 0.055 nan 8.280 nan 0.000 0.546 418 G N -0.364 108.551 108.800 0.192 0.000 2.707 418 G HA2 -0.207 3.754 3.960 0.001 0.000 0.686 418 G HA3 -0.207 3.754 3.960 0.001 0.000 0.686 418 G C 0.372 175.345 174.900 0.122 0.000 1.315 418 G CA -0.498 44.718 45.100 0.193 0.000 0.832 418 G HN -0.009 nan 8.290 nan 0.000 0.573 419 V N 0.684 120.640 119.914 0.070 0.000 2.255 419 V HA -0.167 3.954 4.120 0.001 0.000 0.247 419 V C 2.753 178.821 176.094 -0.043 0.000 1.051 419 V CA 3.191 65.480 62.300 -0.019 0.000 1.018 419 V CB -0.900 30.864 31.823 -0.098 0.000 0.641 419 V HN 0.839 nan 8.190 nan 0.000 0.445 420 E N 0.689 120.867 120.200 -0.037 0.000 2.049 420 E HA -0.243 4.108 4.350 0.001 0.000 0.198 420 E C 2.229 178.808 176.600 -0.035 0.000 1.007 420 E CA 1.862 58.238 56.400 -0.040 0.000 0.809 420 E CB -0.630 29.054 29.700 -0.026 0.000 0.749 420 E HN 0.595 nan 8.360 nan 0.000 0.450 421 A N 0.121 122.936 122.820 -0.009 0.000 1.969 421 A HA -0.077 4.243 4.320 0.001 0.000 0.218 421 A C 2.164 179.658 177.584 -0.150 0.000 1.169 421 A CA 0.958 52.977 52.037 -0.031 0.000 0.635 421 A CB -0.424 18.621 19.000 0.076 0.000 0.810 421 A HN 0.166 nan 8.150 nan 0.000 0.445 422 L N -0.885 120.245 121.223 -0.155 0.000 2.095 422 L HA -0.081 4.260 4.340 0.001 0.000 0.204 422 L C 2.469 179.170 176.870 -0.282 0.000 1.080 422 L CA 0.641 55.280 54.840 -0.335 0.000 0.759 422 L CB -0.399 41.558 42.059 -0.170 0.000 0.914 422 L HN 0.212 nan 8.230 nan 0.000 0.439 423 V N 0.130 119.996 119.914 -0.079 0.000 2.392 423 V HA -0.339 3.781 4.120 0.001 0.000 0.249 423 V C 2.088 178.189 176.094 0.011 0.000 1.059 423 V CA 2.245 64.546 62.300 0.002 0.000 1.051 423 V CB -0.463 31.315 31.823 -0.076 0.000 0.658 423 V HN 0.492 nan 8.190 nan 0.000 0.455 424 D N -0.013 120.366 120.400 -0.034 0.000 2.144 424 D HA -0.116 4.525 4.640 0.001 0.000 0.200 424 D C 2.092 178.387 176.300 -0.007 0.000 0.978 424 D CA 1.324 55.334 54.000 0.016 0.000 0.833 424 D CB -0.117 40.680 40.800 -0.005 0.000 0.961 424 D HN 0.390 nan 8.370 nan 0.000 0.470 425 A N -0.759 121.966 122.820 -0.158 0.000 1.968 425 A HA -0.034 4.287 4.320 0.001 0.000 0.217 425 A C 1.611 179.127 177.584 -0.113 0.000 1.169 425 A CA 0.733 52.629 52.037 -0.234 0.000 0.638 425 A CB -0.687 18.029 19.000 -0.472 0.000 0.812 425 A HN 0.290 nan 8.150 nan 0.000 0.446 426 F N 0.092 120.107 119.950 0.107 0.000 2.664 426 F HA 0.089 4.617 4.527 0.001 0.000 0.296 426 F C 2.278 178.192 175.800 0.190 0.000 1.125 426 F CA 0.719 58.834 58.000 0.192 0.000 1.444 426 F CB -0.307 38.867 39.000 0.291 0.000 1.114 426 F HN 0.092 nan 8.300 nan 0.000 0.576 427 S N -0.618 115.272 115.700 0.316 0.000 2.528 427 S HA 0.057 4.527 4.470 0.001 0.000 0.219 427 S C 1.838 176.624 174.600 0.310 0.000 0.985 427 S CA 0.283 58.660 58.200 0.295 0.000 0.914 427 S CB 0.033 63.368 63.200 0.226 0.000 0.776 427 S HN 0.337 nan 8.310 nan 0.000 0.526 428 R N 0.394 121.010 120.500 0.192 0.000 2.307 428 R HA 0.246 4.587 4.340 0.001 0.000 0.200 428 R C 0.729 177.067 176.300 0.063 0.000 0.893 428 R CA 0.016 56.160 56.100 0.073 0.000 1.042 428 R CB 0.353 30.645 30.300 -0.014 0.000 1.059 428 R HN 0.295 nan 8.270 nan 0.000 0.530 429 Q N 1.967 121.831 119.800 0.106 0.000 2.274 429 Q HA 0.245 4.586 4.340 0.001 0.000 0.256 429 Q C -2.458 173.601 176.000 0.099 0.000 0.927 429 Q CA -2.355 53.492 55.803 0.074 0.000 0.939 429 Q CB 1.384 30.171 28.738 0.081 0.000 1.201 429 Q HN -0.144 nan 8.270 nan 0.000 0.426 430 P HA 0.112 nan 4.420 nan 0.000 0.272 430 P C -1.539 175.873 177.300 0.186 0.000 1.223 430 P CA -0.092 63.088 63.100 0.133 0.000 0.784 430 P CB 0.997 32.800 31.700 0.172 0.000 0.923 431 A N 2.209 125.133 122.820 0.172 0.000 2.294 431 A HA 0.706 5.027 4.320 0.001 0.000 0.330 431 A C 0.483 178.165 177.584 0.163 0.000 1.133 431 A CA -0.395 51.747 52.037 0.175 0.000 0.836 431 A CB 0.432 19.485 19.000 0.088 0.000 1.190 431 A HN 0.566 nan 8.150 nan 0.000 0.492 432 G N 0.027 108.924 108.800 0.161 0.000 2.527 432 G HA2 0.435 4.396 3.960 0.001 0.000 0.248 432 G HA3 0.435 4.396 3.960 0.001 0.000 0.248 432 G C 0.173 174.969 174.900 -0.173 0.000 1.231 432 G CA -0.544 44.484 45.100 -0.120 0.000 0.838 432 G HN 0.847 nan 8.290 nan 0.000 0.570 433 R N 1.483 121.817 120.500 -0.277 0.000 2.442 433 R HA 0.159 4.499 4.340 0.001 0.000 0.291 433 R C 1.056 177.254 176.300 -0.171 0.000 1.069 433 R CA -0.367 55.586 56.100 -0.246 0.000 1.022 433 R CB 0.344 30.490 30.300 -0.258 0.000 0.976 433 R HN 0.560 nan 8.270 nan 0.000 0.443 434 I N 2.692 123.155 120.570 -0.178 0.000 2.235 434 I HA -0.037 4.134 4.170 0.001 0.000 0.241 434 I C 1.562 177.634 176.117 -0.074 0.000 1.085 434 I CA 1.088 62.330 61.300 -0.097 0.000 1.378 434 I CB -0.385 37.528 38.000 -0.145 0.000 1.076 434 I HN 0.683 nan 8.210 nan 0.000 0.415 435 G N -1.013 107.748 108.800 -0.065 0.000 2.588 435 G HA2 0.432 4.393 3.960 0.001 0.000 0.281 435 G HA3 0.432 4.393 3.960 0.001 0.000 0.281 435 G C 0.785 175.626 174.900 -0.099 0.000 1.236 435 G CA 0.230 45.291 45.100 -0.066 0.000 0.969 435 G HN 0.527 nan 8.290 nan 0.000 0.504 436 G N -1.678 107.062 108.800 -0.099 0.000 2.611 436 G HA2 0.395 4.356 3.960 0.001 0.000 0.208 436 G HA3 0.395 4.356 3.960 0.001 0.000 0.208 436 G C 1.137 175.986 174.900 -0.085 0.000 1.201 436 G CA 0.894 45.937 45.100 -0.095 0.000 0.739 436 G HN 2.880 nan 8.290 nan 0.000 0.528 437 G N -0.892 107.860 108.800 -0.081 0.000 2.515 437 G HA2 0.477 4.438 3.960 0.001 0.000 0.686 437 G HA3 0.477 4.438 3.960 0.001 0.000 0.686 437 G C 0.089 174.965 174.900 -0.040 0.000 1.274 437 G CA 0.356 45.425 45.100 -0.051 0.000 0.874 437 G HN 1.692 nan 8.290 nan 0.000 0.631 438 R N -0.974 119.515 120.500 -0.018 0.000 3.264 438 R HA -0.212 4.129 4.340 0.001 0.000 0.251 438 R C 0.436 176.722 176.300 -0.023 0.000 0.971 438 R CA 1.099 57.185 56.100 -0.023 0.000 0.658 438 R CB -1.237 29.041 30.300 -0.037 0.000 1.095 438 R HN 0.665 nan 8.270 nan 0.000 0.443 439 N N -0.005 118.688 118.700 -0.011 0.000 2.232 439 N HA 0.259 5.000 4.740 0.001 0.000 0.240 439 N C -0.825 174.720 175.510 0.058 0.000 1.307 439 N CA -0.197 52.850 53.050 -0.005 0.000 0.859 439 N CB 0.844 39.289 38.487 -0.069 0.000 1.260 439 N HN 0.264 nan 8.380 nan 0.000 0.501 440 I N 0.662 121.277 120.570 0.075 0.000 2.321 440 I HA 0.209 4.380 4.170 0.001 0.000 0.291 440 I C 0.100 176.281 176.117 0.106 0.000 0.998 440 I CA -0.913 60.456 61.300 0.115 0.000 1.227 440 I CB 1.073 39.142 38.000 0.114 0.000 1.368 440 I HN 0.078 nan 8.210 nan 0.000 0.466 441 D N 5.074 125.546 120.400 0.120 0.000 2.472 441 D HA -0.097 4.544 4.640 0.001 0.000 0.237 441 D C 1.741 178.025 176.300 -0.026 0.000 1.141 441 D CA 0.202 54.233 54.000 0.052 0.000 0.875 441 D CB 0.717 41.520 40.800 0.004 0.000 1.192 441 D HN 0.581 nan 8.370 nan 0.000 0.450 442 H N 2.667 121.700 119.070 -0.061 0.000 2.489 442 H HA -0.126 4.430 4.556 0.001 0.000 0.293 442 H C 0.999 176.252 175.328 -0.126 0.000 1.066 442 H CA 1.426 57.410 56.048 -0.108 0.000 1.305 442 H CB -0.327 29.337 29.762 -0.164 0.000 1.386 442 H HN 0.635 nan 8.280 nan 0.000 0.551 443 H N 1.616 120.328 119.070 -0.597 0.000 2.387 443 H HA 0.011 4.568 4.556 0.001 0.000 0.299 443 H C 2.042 177.385 175.328 0.024 0.000 1.090 443 H CA 1.997 57.832 56.048 -0.354 0.000 1.332 443 H CB 0.111 29.445 29.762 -0.712 0.000 1.386 443 H HN 0.602 nan 8.280 nan 0.000 0.516 444 I N -2.102 118.540 120.570 0.120 0.000 4.009 444 I HA 0.162 4.333 4.170 0.001 0.000 0.331 444 I C 1.108 177.174 176.117 -0.085 0.000 1.462 444 I CA -0.037 61.326 61.300 0.106 0.000 1.117 444 I CB 0.321 38.442 38.000 0.200 0.000 1.091 444 I HN 0.030 nan 8.210 nan 0.000 0.410 445 L N 2.238 123.477 121.223 0.026 0.000 2.131 445 L HA -0.178 4.162 4.340 0.001 0.000 0.210 445 L C 2.607 179.458 176.870 -0.031 0.000 1.092 445 L CA 2.366 57.213 54.840 0.012 0.000 0.759 445 L CB -0.766 41.333 42.059 0.067 0.000 0.903 445 L HN 0.627 nan 8.230 nan 0.000 0.435 446 H N -3.168 115.914 119.070 0.019 0.000 2.460 446 H HA -0.129 4.428 4.556 0.001 0.000 0.297 446 H C 1.808 177.121 175.328 -0.024 0.000 1.103 446 H CA 1.528 57.583 56.048 0.012 0.000 1.292 446 H CB -1.144 28.636 29.762 0.030 0.000 1.376 446 H HN 0.200 nan 8.280 nan 0.000 0.531 447 V N 1.358 120.890 119.914 -0.637 0.000 2.261 447 V HA -0.268 3.852 4.120 0.001 0.000 0.246 447 V C 2.932 178.835 176.094 -0.317 0.000 1.047 447 V CA 1.828 63.830 62.300 -0.496 0.000 1.015 447 V CB -1.304 30.085 31.823 -0.722 0.000 0.642 447 V HN 0.771 nan 8.190 nan 0.000 0.446 448 A N -0.033 122.656 122.820 -0.217 0.000 1.940 448 A HA -0.172 4.148 4.320 0.001 0.000 0.219 448 A C 2.380 179.957 177.584 -0.012 0.000 1.176 448 A CA 2.176 54.194 52.037 -0.033 0.000 0.631 448 A CB -0.749 18.344 19.000 0.154 0.000 0.814 448 A HN 0.364 nan 8.150 nan 0.000 0.446 449 V N 0.585 120.496 119.914 -0.006 0.000 2.343 449 V HA -0.251 3.870 4.120 0.001 0.000 0.247 449 V C 2.094 178.185 176.094 -0.006 0.000 1.051 449 V CA 2.275 64.592 62.300 0.027 0.000 1.036 449 V CB -0.790 31.067 31.823 0.056 0.000 0.654 449 V HN 0.498 nan 8.190 nan 0.000 0.451 450 D N -0.048 120.325 120.400 -0.045 0.000 2.183 450 D HA -0.085 4.556 4.640 0.001 0.000 0.203 450 D C 2.185 178.403 176.300 -0.138 0.000 0.969 450 D CA 1.006 54.970 54.000 -0.059 0.000 0.842 450 D CB -0.094 40.683 40.800 -0.037 0.000 0.957 450 D HN 0.337 nan 8.370 nan 0.000 0.484 451 V N 1.332 121.083 119.914 -0.271 0.000 2.343 451 V HA -0.214 3.907 4.120 0.001 0.000 0.247 451 V C 2.495 178.439 176.094 -0.251 0.000 1.051 451 V CA 1.132 63.154 62.300 -0.462 0.000 1.036 451 V CB -0.342 30.883 31.823 -0.996 0.000 0.654 451 V HN 0.169 nan 8.190 nan 0.000 0.451 452 I N 0.540 121.056 120.570 -0.091 0.000 2.315 452 I HA -0.202 3.969 4.170 0.001 0.000 0.248 452 I C 2.859 178.996 176.117 0.034 0.000 1.117 452 I CA 1.823 63.151 61.300 0.048 0.000 1.404 452 I CB -0.693 37.382 38.000 0.124 0.000 1.071 452 I HN 0.353 nan 8.210 nan 0.000 0.419 453 K N 0.690 121.094 120.400 0.007 0.000 2.097 453 K HA -0.189 4.132 4.320 0.001 0.000 0.205 453 K C 1.949 178.552 176.600 0.006 0.000 1.050 453 K CA 1.817 58.113 56.287 0.016 0.000 0.938 453 K CB -0.894 31.614 32.500 0.013 0.000 0.718 453 K HN 0.367 nan 8.250 nan 0.000 0.442 454 E N 0.097 120.278 120.200 -0.031 0.000 2.204 454 E HA -0.082 4.269 4.350 0.001 0.000 0.194 454 E C 2.280 178.870 176.600 -0.017 0.000 0.989 454 E CA 1.176 57.556 56.400 -0.033 0.000 0.824 454 E CB -0.107 29.543 29.700 -0.084 0.000 0.756 454 E HN 0.545 nan 8.360 nan 0.000 0.477 455 S N -0.521 115.175 115.700 -0.007 0.000 2.402 455 S HA -0.085 4.386 4.470 0.001 0.000 0.229 455 S C 1.779 176.418 174.600 0.065 0.000 1.021 455 S CA 1.001 59.222 58.200 0.036 0.000 0.974 455 S CB -0.026 63.229 63.200 0.091 0.000 0.800 455 S HN 0.203 nan 8.310 nan 0.000 0.484 456 R N -0.099 120.440 120.500 0.065 0.000 2.161 456 R HA 0.148 4.489 4.340 0.001 0.000 0.213 456 R C 2.144 178.478 176.300 0.058 0.000 1.055 456 R CA 0.885 57.029 56.100 0.073 0.000 0.996 456 R CB -0.220 30.124 30.300 0.074 0.000 0.901 456 R HN 0.274 nan 8.270 nan 0.000 0.456 457 V N 0.898 120.839 119.914 0.046 0.000 2.307 457 V HA -0.185 3.936 4.120 0.001 0.000 0.245 457 V C 1.842 177.964 176.094 0.047 0.000 1.045 457 V CA 1.424 63.751 62.300 0.045 0.000 1.024 457 V CB -0.244 31.604 31.823 0.042 0.000 0.651 457 V HN 0.173 nan 8.190 nan 0.000 0.449 458 L N 0.337 121.582 121.223 0.038 0.000 2.291 458 L HA 0.140 4.481 4.340 0.001 0.000 0.214 458 L C 1.684 178.581 176.870 0.045 0.000 1.120 458 L CA 1.631 56.491 54.840 0.033 0.000 0.799 458 L CB -1.326 40.739 42.059 0.010 0.000 0.925 458 L HN 0.542 nan 8.230 nan 0.000 0.446 459 R N -0.697 119.838 120.500 0.059 0.000 3.261 459 R HA -0.199 4.142 4.340 0.001 0.000 0.257 459 R C 0.069 176.424 176.300 0.093 0.000 1.014 459 R CA 0.904 57.050 56.100 0.077 0.000 0.681 459 R CB -3.411 26.929 30.300 0.067 0.000 1.155 459 R HN 0.181 nan 8.270 nan 0.000 0.424 460 L N 1.115 122.400 121.223 0.104 0.000 2.483 460 L HA 0.175 4.516 4.340 0.001 0.000 0.276 460 L C 1.570 178.564 176.870 0.205 0.000 1.213 460 L CA 0.634 55.564 54.840 0.149 0.000 0.843 460 L CB 0.930 43.047 42.059 0.097 0.000 1.107 460 L HN 0.705 nan 8.230 nan 0.000 0.487 461 Q N 4.141 124.080 119.800 0.232 0.000 2.443 461 Q HA 0.204 4.545 4.340 0.001 0.000 0.232 461 Q C -2.023 174.117 176.000 0.234 0.000 1.026 461 Q CA -1.629 54.232 55.803 0.098 0.000 0.924 461 Q CB 0.189 28.763 28.738 -0.272 0.000 1.256 461 Q HN 0.399 nan 8.270 nan 0.000 0.519 462 P HA -0.121 nan 4.420 nan 0.000 0.270 462 P C -0.017 177.474 177.300 0.318 0.000 1.223 462 P CA 0.198 63.416 63.100 0.197 0.000 0.785 462 P CB 0.404 32.164 31.700 0.099 0.000 0.923 463 F N 2.549 122.616 119.950 0.195 0.000 2.154 463 F HA -0.250 4.278 4.527 0.002 0.000 0.301 463 F C 1.805 177.720 175.800 0.192 0.000 1.087 463 F CA 1.867 60.005 58.000 0.230 0.000 1.274 463 F CB -0.648 38.383 39.000 0.052 0.000 1.009 463 F HN 0.203 nan 8.300 nan 0.000 0.485 464 N N 0.488 119.233 118.700 0.075 0.000 2.223 464 N HA -0.153 4.587 4.740 0.001 0.000 0.185 464 N C 1.796 177.229 175.510 -0.128 0.000 1.016 464 N CA 1.181 54.195 53.050 -0.060 0.000 0.863 464 N CB -0.366 38.119 38.487 -0.004 0.000 0.983 464 N HN 0.407 nan 8.380 nan 0.000 0.429 465 E N -0.202 119.914 120.200 -0.139 0.000 2.106 465 E HA -0.097 4.254 4.350 0.001 0.000 0.192 465 E C 1.594 178.036 176.600 -0.265 0.000 0.984 465 E CA 0.693 56.921 56.400 -0.286 0.000 0.806 465 E CB -0.228 29.154 29.700 -0.530 0.000 0.750 465 E HN 0.496 nan 8.360 nan 0.000 0.458 466 Y N 0.755 121.007 120.300 -0.080 0.000 2.314 466 Y HA -0.060 4.491 4.550 0.001 0.000 0.293 466 Y C 2.457 178.388 175.900 0.053 0.000 1.129 466 Y CA 0.784 58.928 58.100 0.074 0.000 1.201 466 Y CB 0.058 38.674 38.460 0.260 0.000 0.999 466 Y HN -0.078 nan 8.280 nan 0.000 0.541 467 R N 0.635 121.090 120.500 -0.074 0.000 2.083 467 R HA -0.164 4.177 4.340 0.001 0.000 0.237 467 R C 1.930 178.193 176.300 -0.061 0.000 1.137 467 R CA 1.425 57.432 56.100 -0.154 0.000 0.951 467 R CB -0.431 29.676 30.300 -0.321 0.000 0.851 467 R HN 0.384 nan 8.270 nan 0.000 0.434 468 K N -0.021 120.314 120.400 -0.107 0.000 2.155 468 K HA -0.109 4.212 4.320 0.001 0.000 0.203 468 K C 2.121 178.650 176.600 -0.118 0.000 1.052 468 K CA 0.733 56.943 56.287 -0.129 0.000 0.948 468 K CB -0.087 32.298 32.500 -0.192 0.000 0.728 468 K HN -0.108 nan 8.250 nan 0.000 0.448 469 R N 0.602 121.028 120.500 -0.124 0.000 2.115 469 R HA -0.037 4.303 4.340 0.001 0.000 0.226 469 R C 0.918 177.028 176.300 -0.317 0.000 1.100 469 R CA 1.291 57.251 56.100 -0.234 0.000 0.980 469 R CB -0.222 29.890 30.300 -0.313 0.000 0.875 469 R HN 0.054 nan 8.270 nan 0.000 0.445 470 F N -0.368 119.565 119.950 -0.028 0.000 2.668 470 F HA 0.339 4.867 4.527 0.001 0.000 0.297 470 F C 1.172 176.961 175.800 -0.019 0.000 1.124 470 F CA 0.324 58.312 58.000 -0.019 0.000 1.353 470 F CB 0.643 39.645 39.000 0.005 0.000 0.992 470 F HN 0.241 nan 8.300 nan 0.000 0.524 471 G N 1.104 109.949 108.800 0.075 0.000 2.198 471 G HA2 -0.300 3.661 3.960 0.001 0.000 0.257 471 G HA3 -0.300 3.661 3.960 0.001 0.000 0.257 471 G C -0.085 174.839 174.900 0.041 0.000 1.042 471 G CA -0.068 45.068 45.100 0.060 0.000 0.791 471 G HN 0.316 nan 8.290 nan 0.000 0.502 472 M N -0.470 119.134 119.600 0.007 0.000 2.662 472 M HA 0.694 5.175 4.480 0.001 0.000 0.310 472 M C 0.433 176.671 176.300 -0.103 0.000 1.204 472 M CA -0.416 54.855 55.300 -0.049 0.000 0.891 472 M CB 1.868 34.424 32.600 -0.073 0.000 1.732 472 M HN 0.283 nan 8.290 nan 0.000 0.467 473 K N 2.280 122.599 120.400 -0.136 0.000 2.322 473 K HA 0.512 4.833 4.320 0.001 0.000 0.283 473 K C -2.769 173.676 176.600 -0.259 0.000 1.042 473 K CA -1.553 54.638 56.287 -0.160 0.000 0.958 473 K CB -0.843 31.576 32.500 -0.134 0.000 0.984 473 K HN 0.434 nan 8.250 nan 0.000 0.473 474 P HA 0.091 nan 4.420 nan 0.000 0.271 474 P C -0.873 176.307 177.300 -0.200 0.000 1.218 474 P CA -0.181 62.799 63.100 -0.199 0.000 0.780 474 P CB 0.179 31.813 31.700 -0.110 0.000 0.901 475 Y N 0.300 120.578 120.300 -0.037 0.000 2.425 475 Y HA 0.028 4.579 4.550 0.002 0.000 0.331 475 Y C 2.256 178.107 175.900 -0.080 0.000 1.157 475 Y CA 0.510 58.581 58.100 -0.049 0.000 1.372 475 Y CB 0.355 38.784 38.460 -0.052 0.000 1.253 475 Y HN 0.408 nan 8.280 nan 0.000 0.536 476 T N -2.384 112.229 114.554 0.098 0.000 3.067 476 T HA 0.123 4.474 4.350 0.001 0.000 0.257 476 T C 0.345 175.051 174.700 0.011 0.000 1.105 476 T CA 0.501 62.622 62.100 0.035 0.000 1.104 476 T CB -0.102 68.786 68.868 0.034 0.000 0.925 476 T HN 0.517 nan 8.240 nan 0.000 0.498 477 S N -1.089 114.613 115.700 0.004 0.000 2.596 477 S HA 0.594 5.065 4.470 0.001 0.000 0.270 477 S C -0.148 174.374 174.600 -0.129 0.000 1.155 477 S CA -0.983 57.197 58.200 -0.033 0.000 0.827 477 S CB 0.396 63.630 63.200 0.057 0.000 1.130 477 S HN -0.044 nan 8.310 nan 0.000 0.467 478 F N 0.900 120.830 119.950 -0.034 0.000 2.325 478 F HA 0.073 4.601 4.527 0.002 0.000 0.299 478 F C 2.836 178.568 175.800 -0.113 0.000 1.090 478 F CA 1.333 59.271 58.000 -0.103 0.000 1.392 478 F CB -0.111 38.840 39.000 -0.081 0.000 1.053 478 F HN 0.728 nan 8.300 nan 0.000 0.521 479 Q N 0.465 120.332 119.800 0.112 0.000 2.119 479 Q HA -0.235 4.106 4.340 0.001 0.000 0.201 479 Q C 2.180 178.182 176.000 0.005 0.000 0.972 479 Q CA 1.496 57.330 55.803 0.052 0.000 0.847 479 Q CB -0.134 28.640 28.738 0.060 0.000 0.903 479 Q HN 0.481 nan 8.270 nan 0.000 0.433 480 E N -0.148 120.055 120.200 0.004 0.000 2.208 480 E HA -0.162 4.189 4.350 0.001 0.000 0.193 480 E C 1.958 178.471 176.600 -0.145 0.000 0.988 480 E CA 0.409 56.831 56.400 0.036 0.000 0.828 480 E CB 0.106 29.915 29.700 0.182 0.000 0.763 480 E HN 0.301 nan 8.360 nan 0.000 0.478 481 L N 0.559 121.525 121.223 -0.428 0.000 1.993 481 L HA -0.127 4.213 4.340 0.001 0.000 0.206 481 L C 2.572 179.206 176.870 -0.393 0.000 1.074 481 L CA 2.481 56.831 54.840 -0.817 0.000 0.746 481 L CB -0.748 40.869 42.059 -0.738 0.000 0.896 481 L HN 0.160 nan 8.230 nan 0.000 0.435 482 T N -3.510 110.914 114.554 -0.217 0.000 3.043 482 T HA 0.195 4.545 4.350 0.001 0.000 0.263 482 T C 1.531 176.184 174.700 -0.077 0.000 1.094 482 T CA 0.481 62.501 62.100 -0.133 0.000 1.127 482 T CB -0.467 68.350 68.868 -0.084 0.000 0.905 482 T HN 0.756 nan 8.240 nan 0.000 0.490 483 G N 1.724 110.490 108.800 -0.057 0.000 2.153 483 G HA2 -0.171 3.790 3.960 0.001 0.000 0.252 483 G HA3 -0.171 3.790 3.960 0.001 0.000 0.252 483 G C -0.219 174.675 174.900 -0.009 0.000 0.994 483 G CA 0.480 45.569 45.100 -0.018 0.000 0.698 483 G HN 1.033 nan 8.290 nan 0.000 0.521 484 E N -3.440 116.755 120.200 -0.010 0.000 2.449 484 E HA 0.825 5.176 4.350 0.001 0.000 0.278 484 E C 0.580 177.185 176.600 0.009 0.000 0.992 484 E CA -0.061 56.339 56.400 -0.001 0.000 0.807 484 E CB 0.258 29.955 29.700 -0.006 0.000 1.350 484 E HN 0.567 nan 8.360 nan 0.000 0.462 485 K N 0.160 120.566 120.400 0.012 0.000 2.211 485 K HA 0.215 4.535 4.320 0.001 0.000 0.201 485 K C 1.989 178.601 176.600 0.020 0.000 1.052 485 K CA 1.623 57.920 56.287 0.018 0.000 0.973 485 K CB -1.364 31.146 32.500 0.015 0.000 0.766 485 K HN 0.614 nan 8.250 nan 0.000 0.466 486 E N -0.188 120.022 120.200 0.017 0.000 2.001 486 E HA 0.072 4.423 4.350 0.001 0.000 0.193 486 E C 2.527 179.154 176.600 0.046 0.000 0.994 486 E CA 2.584 58.997 56.400 0.022 0.000 0.815 486 E CB -1.196 28.511 29.700 0.011 0.000 0.770 486 E HN 0.842 nan 8.360 nan 0.000 0.453 487 M N 0.610 120.248 119.600 0.064 0.000 2.460 487 M HA 0.578 5.059 4.480 0.001 0.000 0.263 487 M C 2.659 179.004 176.300 0.075 0.000 1.071 487 M CA 2.132 57.519 55.300 0.144 0.000 1.096 487 M CB -1.261 31.433 32.600 0.156 0.000 1.408 487 M HN 0.790 nan 8.290 nan 0.000 0.463 488 A N 0.286 123.120 122.820 0.022 0.000 1.930 488 A HA 0.371 4.692 4.320 0.001 0.000 0.215 488 A C 2.669 180.218 177.584 -0.058 0.000 1.176 488 A CA 1.759 53.795 52.037 -0.002 0.000 0.632 488 A CB -1.071 17.961 19.000 0.053 0.000 0.819 488 A HN 1.181 nan 8.150 nan 0.000 0.445 489 A N -0.550 122.262 122.820 -0.012 0.000 1.933 489 A HA 0.076 4.397 4.320 0.001 0.000 0.218 489 A C 2.127 179.686 177.584 -0.042 0.000 1.175 489 A CA 2.271 54.295 52.037 -0.020 0.000 0.628 489 A CB -0.934 18.072 19.000 0.010 0.000 0.814 489 A HN 0.706 nan 8.150 nan 0.000 0.444 490 E N -0.103 120.105 120.200 0.014 0.000 2.107 490 E HA 0.014 4.365 4.350 0.001 0.000 0.191 490 E C 1.895 178.495 176.600 0.001 0.000 0.982 490 E CA 1.200 57.650 56.400 0.083 0.000 0.809 490 E CB -0.788 29.056 29.700 0.240 0.000 0.756 490 E HN 0.627 nan 8.360 nan 0.000 0.459 491 L N 0.050 121.153 121.223 -0.200 0.000 2.217 491 L HA -0.059 4.282 4.340 0.001 0.000 0.211 491 L C 2.771 179.077 176.870 -0.940 0.000 1.107 491 L CA 1.086 55.614 54.840 -0.520 0.000 0.783 491 L CB 0.044 41.697 42.059 -0.677 0.000 0.919 491 L HN 0.316 nan 8.230 nan 0.000 0.442 492 E N 0.389 120.093 120.200 -0.828 0.000 2.106 492 E HA -0.249 4.102 4.350 0.001 0.000 0.192 492 E C 1.913 178.391 176.600 -0.203 0.000 0.984 492 E CA 1.107 57.159 56.400 -0.581 0.000 0.806 492 E CB 0.245 29.841 29.700 -0.173 0.000 0.750 492 E HN 0.510 nan 8.360 nan 0.000 0.458 493 E N -0.004 120.113 120.200 -0.139 0.000 2.076 493 E HA -0.093 4.258 4.350 0.001 0.000 0.190 493 E C 2.413 178.991 176.600 -0.037 0.000 0.979 493 E CA 0.273 56.645 56.400 -0.046 0.000 0.807 493 E CB 0.099 29.789 29.700 -0.017 0.000 0.761 493 E HN 0.191 nan 8.360 nan 0.000 0.454 494 L N -0.294 120.891 121.223 -0.062 0.000 2.005 494 L HA -0.165 4.176 4.340 0.001 0.000 0.207 494 L C 2.323 179.123 176.870 -0.116 0.000 1.072 494 L CA 1.284 56.075 54.840 -0.083 0.000 0.744 494 L CB -0.426 41.585 42.059 -0.080 0.000 0.895 494 L HN 0.197 nan 8.230 nan 0.000 0.433 495 Y N -0.809 119.467 120.300 -0.039 0.000 2.286 495 Y HA -0.001 4.550 4.550 0.002 0.000 0.293 495 Y C 2.088 178.053 175.900 0.107 0.000 1.124 495 Y CA 1.041 59.186 58.100 0.074 0.000 1.178 495 Y CB 0.067 38.654 38.460 0.211 0.000 1.010 495 Y HN 0.319 nan 8.280 nan 0.000 0.536 496 G N -0.614 108.326 108.800 0.233 0.000 2.454 496 G HA2 -0.292 3.669 3.960 0.001 0.000 0.225 496 G HA3 -0.292 3.669 3.960 0.001 0.000 0.225 496 G C -0.176 174.887 174.900 0.271 0.000 1.138 496 G CA 0.405 45.620 45.100 0.192 0.000 0.667 496 G HN 0.354 nan 8.290 nan 0.000 0.512 497 D N -1.153 119.462 120.400 0.358 0.000 2.756 497 D HA 0.592 5.233 4.640 0.001 0.000 0.226 497 D C 0.929 177.366 176.300 0.229 0.000 1.186 497 D CA -0.405 53.770 54.000 0.293 0.000 0.845 497 D CB 1.549 42.447 40.800 0.163 0.000 1.610 497 D HN 0.183 nan 8.370 nan 0.000 0.465 498 I N 1.489 121.997 120.570 -0.104 0.000 2.394 498 I HA -0.115 4.056 4.170 0.001 0.000 0.251 498 I C 0.919 176.899 176.117 -0.228 0.000 1.136 498 I CA 1.376 62.326 61.300 -0.582 0.000 1.425 498 I CB 0.071 37.700 38.000 -0.617 0.000 1.079 498 I HN 0.329 nan 8.210 nan 0.000 0.425 499 D N 0.579 120.944 120.400 -0.059 0.000 2.378 499 D HA 0.072 4.712 4.640 0.001 0.000 0.227 499 D C 1.733 178.067 176.300 0.057 0.000 1.012 499 D CA 0.930 54.937 54.000 0.012 0.000 0.905 499 D CB 0.166 40.995 40.800 0.048 0.000 0.895 499 D HN 0.507 nan 8.370 nan 0.000 0.532 500 A N 0.025 122.878 122.820 0.056 0.000 2.324 500 A HA 0.146 4.466 4.320 0.001 0.000 0.220 500 A C 0.906 178.486 177.584 -0.008 0.000 1.209 500 A CA -0.366 51.746 52.037 0.124 0.000 0.918 500 A CB 0.127 19.277 19.000 0.249 0.000 0.959 500 A HN 0.196 nan 8.150 nan 0.000 0.507 501 L N 1.717 122.776 121.223 -0.273 0.000 2.540 501 L HA 0.095 4.436 4.340 0.001 0.000 0.276 501 L C 0.279 177.040 176.870 -0.182 0.000 1.212 501 L CA 0.394 54.854 54.840 -0.633 0.000 0.893 501 L CB 0.039 41.821 42.059 -0.463 0.000 1.138 501 L HN 0.391 nan 8.230 nan 0.000 0.491 502 E N 3.334 123.458 120.200 -0.126 0.000 2.392 502 E HA -0.014 4.336 4.350 0.001 0.000 0.256 502 E C 0.367 177.094 176.600 0.210 0.000 1.145 502 E CA -0.034 56.469 56.400 0.171 0.000 0.929 502 E CB 0.597 30.461 29.700 0.274 0.000 0.998 502 E HN 0.687 nan 8.360 nan 0.000 0.442 503 F N 1.408 121.465 119.950 0.179 0.000 2.031 503 F HA -0.279 4.249 4.527 0.001 0.000 0.295 503 F C 2.066 177.957 175.800 0.151 0.000 1.133 503 F CA 1.645 59.771 58.000 0.211 0.000 1.188 503 F CB -0.356 38.680 39.000 0.061 0.000 0.974 503 F HN 0.615 nan 8.300 nan 0.000 0.473 504 Y N 1.413 121.713 120.300 0.001 0.000 2.181 504 Y HA -0.010 4.540 4.550 0.001 0.000 0.288 504 Y C -0.889 174.905 175.900 -0.177 0.000 1.146 504 Y CA 1.287 59.307 58.100 -0.133 0.000 1.164 504 Y CB -1.876 36.598 38.460 0.023 0.000 0.982 504 Y HN 0.072 nan 8.280 nan 0.000 0.515 505 P HA -0.063 nan 4.420 nan 0.000 0.219 505 P C 1.703 178.736 177.300 -0.445 0.000 1.150 505 P CA 2.064 65.002 63.100 -0.270 0.000 0.814 505 P CB -0.371 31.293 31.700 -0.059 0.000 0.787 506 G N -0.041 108.400 108.800 -0.598 0.000 2.418 506 G HA2 -0.203 3.758 3.960 0.001 0.000 0.217 506 G HA3 -0.203 3.758 3.960 0.001 0.000 0.217 506 G C 1.446 175.714 174.900 -1.054 0.000 1.158 506 G CA 0.442 44.867 45.100 -1.125 0.000 0.771 506 G HN 0.227 nan 8.290 nan 0.000 0.545 507 L N -0.247 120.520 121.223 -0.760 0.000 2.201 507 L HA 0.125 4.466 4.340 0.001 0.000 0.212 507 L C 2.262 178.900 176.870 -0.386 0.000 1.105 507 L CA 0.507 55.065 54.840 -0.469 0.000 0.775 507 L CB -0.135 41.674 42.059 -0.417 0.000 0.913 507 L HN 0.178 nan 8.230 nan 0.000 0.440 508 L N -0.990 119.969 121.223 -0.440 0.000 2.640 508 L HA 0.106 4.447 4.340 0.001 0.000 0.230 508 L C 1.357 178.069 176.870 -0.263 0.000 1.123 508 L CA 0.013 54.655 54.840 -0.331 0.000 0.900 508 L CB 0.334 42.154 42.059 -0.398 0.000 1.146 508 L HN 0.233 nan 8.230 nan 0.000 0.484 509 L N -1.198 119.839 121.223 -0.311 0.000 2.966 509 L HA 0.222 4.562 4.340 0.001 0.000 0.262 509 L C 0.848 177.563 176.870 -0.259 0.000 1.165 509 L CA -0.021 54.664 54.840 -0.258 0.000 0.978 509 L CB 0.767 42.652 42.059 -0.291 0.000 1.337 509 L HN 0.143 nan 8.230 nan 0.000 0.563 510 E N 3.014 123.041 120.200 -0.289 0.000 2.392 510 E HA 0.028 4.379 4.350 0.001 0.000 0.264 510 E C -0.074 176.445 176.600 -0.134 0.000 1.024 510 E CA -0.335 55.923 56.400 -0.237 0.000 0.903 510 E CB 0.725 30.328 29.700 -0.160 0.000 0.963 510 E HN 0.104 nan 8.360 nan 0.000 0.432 511 K N 2.173 122.507 120.400 -0.109 0.000 2.527 511 K HA 0.036 4.357 4.320 0.001 0.000 0.278 511 K C -1.020 175.572 176.600 -0.013 0.000 0.981 511 K CA -0.251 56.005 56.287 -0.052 0.000 1.009 511 K CB 0.348 32.832 32.500 -0.026 0.000 0.895 511 K HN 0.265 nan 8.250 nan 0.000 0.493 512 C N 2.949 122.239 119.300 -0.017 0.000 2.345 512 C HA 0.216 4.677 4.460 0.001 0.000 0.323 512 C C -0.240 174.763 174.990 0.022 0.000 1.276 512 C CA -0.851 58.166 59.018 -0.003 0.000 1.543 512 C CB -0.157 27.552 27.740 -0.052 0.000 2.211 512 C HN 1.004 nan 8.230 nan 0.000 0.493 513 H N 3.876 122.936 119.070 -0.017 0.000 3.004 513 H HA 0.222 4.779 4.556 0.002 0.000 0.316 513 H C -2.428 172.892 175.328 -0.012 0.000 1.014 513 H CA -0.576 55.476 56.048 0.007 0.000 1.454 513 H CB 0.346 30.135 29.762 0.046 0.000 1.472 513 H HN 0.397 nan 8.280 nan 0.000 0.571 514 P HA -0.055 nan 4.420 nan 0.000 0.263 514 P C -0.366 176.545 177.300 -0.648 0.000 1.175 514 P CA 0.964 63.794 63.100 -0.451 0.000 0.761 514 P CB 0.298 31.822 31.700 -0.292 0.000 0.794 515 N N -1.810 116.683 118.700 -0.345 0.000 2.940 515 N HA -0.133 4.608 4.740 0.001 0.000 0.188 515 N C -0.315 175.084 175.510 -0.185 0.000 1.042 515 N CA 0.989 53.896 53.050 -0.239 0.000 1.014 515 N CB -1.294 37.083 38.487 -0.184 0.000 0.981 515 N HN 0.567 nan 8.380 nan 0.000 0.565 516 S N -0.071 115.525 115.700 -0.174 0.000 2.646 516 S HA 0.548 5.019 4.470 0.001 0.000 0.276 516 S C 0.938 175.359 174.600 -0.299 0.000 1.222 516 S CA -0.755 57.354 58.200 -0.153 0.000 1.014 516 S CB 2.165 65.371 63.200 0.010 0.000 0.991 516 S HN 0.299 nan 8.310 nan 0.000 0.533 517 I N 0.381 120.638 120.570 -0.521 0.000 2.584 517 I HA 0.224 4.395 4.170 0.001 0.000 0.255 517 I C -0.217 175.518 176.117 -0.637 0.000 1.145 517 I CA 0.405 61.282 61.300 -0.705 0.000 1.462 517 I CB -0.020 37.366 38.000 -1.022 0.000 1.102 517 I HN 0.783 nan 8.210 nan 0.000 0.433 518 F N -1.519 118.283 119.950 -0.247 0.000 2.950 518 F HA 0.711 5.239 4.527 0.001 0.000 0.327 518 F C 0.533 176.235 175.800 -0.164 0.000 1.197 518 F CA -1.121 56.740 58.000 -0.233 0.000 0.954 518 F CB -0.297 38.518 39.000 -0.309 0.000 1.442 518 F HN -0.260 nan 8.300 nan 0.000 0.509 519 G N -0.347 108.553 108.800 0.166 0.000 2.651 519 G HA2 0.327 4.288 3.960 0.001 0.000 0.260 519 G HA3 0.327 4.288 3.960 0.001 0.000 0.260 519 G C 0.353 175.293 174.900 0.067 0.000 1.216 519 G CA -0.026 45.116 45.100 0.069 0.000 0.913 519 G HN 0.944 nan 8.290 nan 0.000 0.535 520 E N -0.842 119.381 120.200 0.038 0.000 2.204 520 E HA -0.092 4.259 4.350 0.001 0.000 0.194 520 E C 2.225 178.827 176.600 0.004 0.000 0.989 520 E CA 1.383 57.777 56.400 -0.010 0.000 0.824 520 E CB -0.149 29.553 29.700 0.004 0.000 0.756 520 E HN 0.247 nan 8.360 nan 0.000 0.477 521 S N 0.510 116.236 115.700 0.044 0.000 2.383 521 S HA -0.124 4.347 4.470 0.001 0.000 0.227 521 S C 1.780 176.327 174.600 -0.088 0.000 1.026 521 S CA 1.296 59.512 58.200 0.027 0.000 0.981 521 S CB -0.238 63.087 63.200 0.208 0.000 0.818 521 S HN 0.242 nan 8.310 nan 0.000 0.472 522 M N 1.932 121.419 119.600 -0.187 0.000 2.082 522 M HA -0.093 4.388 4.480 0.001 0.000 0.258 522 M C 1.580 177.720 176.300 -0.266 0.000 1.069 522 M CA 1.547 56.611 55.300 -0.394 0.000 1.102 522 M CB -0.503 31.460 32.600 -1.063 0.000 1.336 522 M HN 0.178 nan 8.290 nan 0.000 0.404 523 I N -0.007 120.481 120.570 -0.137 0.000 2.142 523 I HA -0.239 3.932 4.170 0.001 0.000 0.240 523 I C 2.174 178.311 176.117 0.033 0.000 1.078 523 I CA 1.468 62.789 61.300 0.036 0.000 1.343 523 I CB -1.684 36.402 38.000 0.143 0.000 1.046 523 I HN 0.337 nan 8.210 nan 0.000 0.405 524 E N 0.206 120.404 120.200 -0.003 0.000 2.204 524 E HA -0.111 4.240 4.350 0.001 0.000 0.194 524 E C 2.215 178.721 176.600 -0.156 0.000 0.989 524 E CA 0.999 57.400 56.400 0.001 0.000 0.824 524 E CB -0.071 29.645 29.700 0.027 0.000 0.756 524 E HN 0.549 nan 8.360 nan 0.000 0.477 525 M N -0.776 118.612 119.600 -0.353 0.000 2.447 525 M HA 0.105 4.586 4.480 0.001 0.000 0.266 525 M C 2.237 178.321 176.300 -0.361 0.000 1.120 525 M CA 1.031 55.793 55.300 -0.896 0.000 1.166 525 M CB 0.001 32.188 32.600 -0.689 0.000 1.349 525 M HN 0.065 nan 8.290 nan 0.000 0.463 526 G N 0.245 109.032 108.800 -0.021 0.000 2.396 526 G HA2 -0.006 3.954 3.960 0.001 0.000 0.214 526 G HA3 -0.006 3.954 3.960 0.001 0.000 0.214 526 G C 1.635 176.664 174.900 0.215 0.000 1.166 526 G CA 0.810 46.067 45.100 0.262 0.000 0.793 526 G HN 0.455 nan 8.290 nan 0.000 0.533 527 A N 1.895 124.804 122.820 0.148 0.000 1.873 527 A HA -0.016 4.305 4.320 0.001 0.000 0.218 527 A C 0.735 178.376 177.584 0.095 0.000 1.193 527 A CA 2.178 54.314 52.037 0.166 0.000 0.629 527 A CB -1.361 17.746 19.000 0.178 0.000 0.826 527 A HN 0.361 nan 8.150 nan 0.000 0.447 528 P HA -0.130 nan 4.420 nan 0.000 0.216 528 P C 0.501 177.706 177.300 -0.158 0.000 1.150 528 P CA 0.853 63.919 63.100 -0.058 0.000 0.843 528 P CB -0.135 31.530 31.700 -0.057 0.000 0.787 532 K N 1.711 122.210 120.400 0.165 0.000 2.148 532 K HA 0.029 4.350 4.320 0.001 0.000 0.204 532 K C 1.747 178.429 176.600 0.138 0.000 1.050 532 K CA 1.898 58.287 56.287 0.169 0.000 0.942 532 K CB -0.380 32.141 32.500 0.035 0.000 0.724 532 K HN 0.300 nan 8.250 nan 0.000 0.446 533 G N 0.382 109.232 108.800 0.083 0.000 2.394 533 G HA2 -0.130 3.831 3.960 0.001 0.000 0.215 533 G HA3 -0.130 3.831 3.960 0.001 0.000 0.215 533 G C 1.204 176.164 174.900 0.100 0.000 1.165 533 G CA 0.422 45.537 45.100 0.025 0.000 0.784 533 G HN 0.149 nan 8.290 nan 0.000 0.535 534 L N 0.331 121.649 121.223 0.159 0.000 1.988 534 L HA 0.137 4.478 4.340 0.001 0.000 0.207 534 L C 2.731 179.731 176.870 0.216 0.000 1.071 534 L CA 1.021 55.966 54.840 0.174 0.000 0.744 534 L CB -1.184 40.970 42.059 0.158 0.000 0.893 534 L HN 0.128 nan 8.230 nan 0.000 0.433 535 L N -0.400 120.968 121.223 0.242 0.000 2.492 535 L HA 0.045 4.386 4.340 0.001 0.000 0.223 535 L C 2.170 179.296 176.870 0.428 0.000 1.132 535 L CA 1.030 56.017 54.840 0.244 0.000 0.850 535 L CB -1.328 40.728 42.059 -0.006 0.000 0.966 535 L HN 0.316 nan 8.230 nan 0.000 0.454 536 G N -0.579 108.496 108.800 0.458 0.000 2.813 536 G HA2 -0.157 3.804 3.960 0.001 0.000 0.209 536 G HA3 -0.157 3.804 3.960 0.001 0.000 0.209 536 G C 0.875 175.985 174.900 0.350 0.000 1.150 536 G CA -0.262 45.098 45.100 0.433 0.000 0.785 536 G HN 0.293 nan 8.290 nan 0.000 0.535 537 N N 1.331 120.216 118.700 0.309 0.000 2.454 537 N HA 0.040 4.781 4.740 0.001 0.000 0.260 537 N C -1.069 174.590 175.510 0.249 0.000 1.218 537 N CA -1.234 51.965 53.050 0.248 0.000 0.904 537 N CB 1.931 40.567 38.487 0.248 0.000 1.065 537 N HN -0.049 nan 8.380 nan 0.000 0.462 538 P HA -0.167 nan 4.420 nan 0.000 0.220 538 P C 1.457 178.667 177.300 -0.150 0.000 1.144 538 P CA 1.183 64.179 63.100 -0.173 0.000 0.800 538 P CB -0.115 31.387 31.700 -0.329 0.000 0.772 539 I N -3.417 117.314 120.570 0.268 0.000 2.756 539 I HA -0.088 4.083 4.170 0.001 0.000 0.262 539 I C 1.566 178.040 176.117 0.595 0.000 1.225 539 I CA 1.231 62.870 61.300 0.566 0.000 1.472 539 I CB -1.086 37.337 38.000 0.705 0.000 1.094 539 I HN -0.169 nan 8.210 nan 0.000 0.454 540 C N 1.442 120.944 119.300 0.337 0.000 2.618 540 C HA 0.193 4.654 4.460 0.001 0.000 0.264 540 C C 1.768 176.743 174.990 -0.026 0.000 1.334 540 C CA 0.172 59.307 59.018 0.196 0.000 1.731 540 C CB -1.842 26.075 27.740 0.295 0.000 1.852 540 C HN 0.705 nan 8.230 nan 0.000 0.566 541 S N 1.815 117.255 115.700 -0.432 0.000 2.592 541 S HA 0.207 4.678 4.470 0.001 0.000 0.271 541 S C -1.742 172.690 174.600 -0.281 0.000 1.326 541 S CA -0.589 57.002 58.200 -1.015 0.000 1.024 541 S CB 0.690 63.288 63.200 -1.005 0.000 0.921 541 S HN 0.062 nan 8.310 nan 0.000 0.527 542 P HA -0.085 nan 4.420 nan 0.000 0.219 542 P C 1.273 178.531 177.300 -0.069 0.000 1.146 542 P CA 1.101 63.910 63.100 -0.486 0.000 0.808 542 P CB 0.087 31.354 31.700 -0.723 0.000 0.779 543 E N -1.526 118.652 120.200 -0.037 0.000 2.107 543 E HA -0.141 4.210 4.350 0.001 0.000 0.191 543 E C 1.533 178.296 176.600 0.271 0.000 0.982 543 E CA 1.395 57.864 56.400 0.115 0.000 0.809 543 E CB -0.635 29.153 29.700 0.147 0.000 0.756 543 E HN 0.372 nan 8.360 nan 0.000 0.459 544 Y N -2.120 118.182 120.300 0.002 0.000 2.503 544 Y HA 0.072 4.623 4.550 0.001 0.000 0.277 544 Y C 0.765 176.736 175.900 0.118 0.000 1.102 544 Y CA -0.560 57.548 58.100 0.014 0.000 1.261 544 Y CB 0.241 38.728 38.460 0.045 0.000 1.096 544 Y HN 0.087 nan 8.280 nan 0.000 0.546 545 W N 4.363 125.812 121.300 0.248 0.000 1.564 545 W HA 0.175 4.836 4.660 0.001 0.000 0.480 545 W C -0.857 175.764 176.519 0.171 0.000 0.699 545 W CA 0.521 58.071 57.345 0.340 0.000 1.985 545 W CB -0.500 29.245 29.460 0.474 0.000 1.738 545 W HN 0.044 nan 8.180 nan 0.000 0.218 546 K N 0.686 120.896 120.400 -0.317 0.000 2.433 546 K HA 0.497 4.817 4.320 0.001 0.000 0.252 546 K C 0.637 176.665 176.600 -0.953 0.000 1.015 546 K CA -0.435 55.559 56.287 -0.489 0.000 0.860 546 K CB 1.660 34.019 32.500 -0.235 0.000 1.359 546 K HN -0.015 nan 8.250 nan 0.000 0.452 547 A N 0.460 122.865 122.820 -0.692 0.000 1.897 547 A HA -0.140 4.181 4.320 0.001 0.000 0.215 547 A C 1.951 179.398 177.584 -0.229 0.000 1.181 547 A CA 2.077 53.820 52.037 -0.490 0.000 0.620 547 A CB -0.850 18.073 19.000 -0.129 0.000 0.821 547 A HN 0.742 nan 8.150 nan 0.000 0.443 548 S N -0.445 115.140 115.700 -0.192 0.000 2.400 548 S HA -0.167 4.304 4.470 0.001 0.000 0.232 548 S C 1.770 176.251 174.600 -0.198 0.000 1.025 548 S CA 1.927 60.054 58.200 -0.121 0.000 0.993 548 S CB -1.295 61.840 63.200 -0.108 0.000 0.808 548 S HN 0.496 nan 8.310 nan 0.000 0.478 549 T N 1.437 115.754 114.554 -0.396 0.000 2.803 549 T HA 0.022 4.373 4.350 0.001 0.000 0.269 549 T C 0.644 174.941 174.700 -0.671 0.000 1.052 549 T CA 1.238 62.952 62.100 -0.643 0.000 1.136 549 T CB -0.493 67.803 68.868 -0.954 0.000 0.864 549 T HN 0.605 nan 8.240 nan 0.000 0.467 550 F N 0.397 120.275 119.950 -0.120 0.000 2.684 550 F HA 0.478 5.005 4.527 0.001 0.000 0.298 550 F C 1.592 177.449 175.800 0.094 0.000 1.120 550 F CA -0.539 57.461 58.000 0.000 0.000 1.332 550 F CB -0.031 38.980 39.000 0.019 0.000 0.986 550 F HN 0.194 nan 8.300 nan 0.000 0.524 551 G N 0.438 109.374 108.800 0.228 0.000 2.160 551 G HA2 0.098 4.059 3.960 0.001 0.000 0.251 551 G HA3 0.098 4.059 3.960 0.001 0.000 0.251 551 G C 0.602 175.675 174.900 0.288 0.000 1.008 551 G CA 0.101 45.404 45.100 0.339 0.000 0.724 551 G HN 1.210 nan 8.290 nan 0.000 0.514 552 G N -1.324 107.586 108.800 0.183 0.000 2.422 552 G HA2 0.260 4.221 3.960 0.001 0.000 0.607 552 G HA3 0.260 4.221 3.960 0.001 0.000 0.607 552 G C 0.193 175.182 174.900 0.149 0.000 1.270 552 G CA 0.542 45.726 45.100 0.140 0.000 0.992 552 G HN 0.956 nan 8.290 nan 0.000 0.499 553 E N -0.837 119.435 120.200 0.120 0.000 2.150 553 E HA 0.032 4.383 4.350 0.001 0.000 0.193 553 E C 2.721 179.391 176.600 0.117 0.000 0.985 553 E CA 1.864 58.349 56.400 0.142 0.000 0.814 553 E CB -0.145 29.608 29.700 0.088 0.000 0.752 553 E HN 0.585 nan 8.360 nan 0.000 0.466 554 V N -0.229 119.730 119.914 0.075 0.000 2.295 554 V HA -0.213 3.908 4.120 0.001 0.000 0.246 554 V C 2.249 178.392 176.094 0.082 0.000 1.049 554 V CA 1.986 64.315 62.300 0.048 0.000 1.024 554 V CB -1.012 30.813 31.823 0.003 0.000 0.648 554 V HN 0.458 nan 8.190 nan 0.000 0.447 555 G N -1.394 107.491 108.800 0.141 0.000 2.421 555 G HA2 -0.224 3.737 3.960 0.001 0.000 0.217 555 G HA3 -0.224 3.737 3.960 0.001 0.000 0.217 555 G C 1.508 176.502 174.900 0.157 0.000 1.143 555 G CA 0.468 45.677 45.100 0.182 0.000 0.784 555 G HN 0.408 nan 8.290 nan 0.000 0.541 556 F N 2.216 122.139 119.950 -0.045 0.000 2.186 556 F HA 0.041 4.569 4.527 0.001 0.000 0.299 556 F C 2.254 177.932 175.800 -0.203 0.000 1.090 556 F CA 0.639 58.501 58.000 -0.231 0.000 1.307 556 F CB -0.272 38.647 39.000 -0.134 0.000 1.019 556 F HN 0.064 nan 8.300 nan 0.000 0.489 557 N N 0.497 119.182 118.700 -0.025 0.000 2.244 557 N HA -0.115 4.625 4.740 0.001 0.000 0.183 557 N C 2.108 177.583 175.510 -0.057 0.000 1.016 557 N CA 0.901 53.897 53.050 -0.090 0.000 0.866 557 N CB -0.491 37.974 38.487 -0.037 0.000 0.980 557 N HN 0.322 nan 8.380 nan 0.000 0.430 558 L N 0.305 121.518 121.223 -0.017 0.000 2.131 558 L HA -0.098 4.243 4.340 0.001 0.000 0.210 558 L C 2.109 178.992 176.870 0.022 0.000 1.092 558 L CA 0.601 55.448 54.840 0.012 0.000 0.759 558 L CB -0.203 41.881 42.059 0.041 0.000 0.903 558 L HN -0.032 nan 8.230 nan 0.000 0.435 559 V N -0.342 119.555 119.914 -0.028 0.000 2.323 559 V HA -0.227 3.894 4.120 0.001 0.000 0.244 559 V C 2.331 178.488 176.094 0.105 0.000 1.041 559 V CA 1.597 63.918 62.300 0.034 0.000 1.025 559 V CB -0.372 31.387 31.823 -0.106 0.000 0.656 559 V HN 0.388 nan 8.190 nan 0.000 0.451 560 K N 0.406 120.790 120.400 -0.026 0.000 2.211 560 K HA -0.089 4.231 4.320 0.001 0.000 0.203 560 K C 1.782 178.402 176.600 0.033 0.000 1.050 560 K CA 1.745 58.027 56.287 -0.009 0.000 0.945 560 K CB -0.189 32.200 32.500 -0.186 0.000 0.732 560 K HN 0.679 nan 8.250 nan 0.000 0.451 561 T N -2.396 112.168 114.554 0.018 0.000 3.085 561 T HA 0.366 4.717 4.350 0.001 0.000 0.264 561 T C 0.476 175.199 174.700 0.038 0.000 1.019 561 T CA -0.503 61.609 62.100 0.021 0.000 0.910 561 T CB 0.382 69.247 68.868 -0.004 0.000 1.059 561 T HN 0.053 nan 8.240 nan 0.000 0.542 562 A N 1.795 124.655 122.820 0.067 0.000 2.511 562 A HA 0.540 4.861 4.320 0.001 0.000 0.242 562 A C 0.407 178.030 177.584 0.064 0.000 1.069 562 A CA 0.005 52.086 52.037 0.072 0.000 0.763 562 A CB -0.110 18.965 19.000 0.124 0.000 1.001 562 A HN 0.495 nan 8.150 nan 0.000 0.498 563 T N 2.211 116.780 114.554 0.025 0.000 2.896 563 T HA 0.378 4.729 4.350 0.001 0.000 0.297 563 T C 1.198 175.870 174.700 -0.047 0.000 1.108 563 T CA -0.734 61.365 62.100 -0.001 0.000 1.004 563 T CB 1.308 70.159 68.868 -0.028 0.000 1.159 563 T HN 0.501 nan 8.240 nan 0.000 0.499 564 L N 1.024 122.190 121.223 -0.095 0.000 2.046 564 L HA -0.072 4.269 4.340 0.001 0.000 0.208 564 L C 2.598 179.347 176.870 -0.202 0.000 1.077 564 L CA 1.701 56.432 54.840 -0.182 0.000 0.747 564 L CB -0.265 41.537 42.059 -0.428 0.000 0.896 564 L HN 0.725 nan 8.230 nan 0.000 0.432 565 K N 0.134 120.418 120.400 -0.193 0.000 2.057 565 K HA -0.224 4.097 4.320 0.001 0.000 0.207 565 K C 2.033 178.548 176.600 -0.141 0.000 1.049 565 K CA 1.512 57.693 56.287 -0.177 0.000 0.931 565 K CB 0.063 32.470 32.500 -0.155 0.000 0.714 565 K HN 0.234 nan 8.250 nan 0.000 0.440 566 K N 0.291 120.623 120.400 -0.113 0.000 2.288 566 K HA -0.084 4.237 4.320 0.001 0.000 0.201 566 K C 1.886 178.411 176.600 -0.125 0.000 1.048 566 K CA 0.436 56.665 56.287 -0.096 0.000 0.956 566 K CB 0.039 32.502 32.500 -0.062 0.000 0.746 566 K HN 0.097 nan 8.250 nan 0.000 0.461 567 L N 0.257 121.382 121.223 -0.164 0.000 2.156 567 L HA -0.097 4.244 4.340 0.001 0.000 0.208 567 L C 1.665 178.372 176.870 -0.272 0.000 1.095 567 L CA 1.324 56.009 54.840 -0.258 0.000 0.770 567 L CB 0.152 42.007 42.059 -0.341 0.000 0.914 567 L HN -0.142 nan 8.230 nan 0.000 0.439 568 V N -2.121 117.658 119.914 -0.225 0.000 2.484 568 V HA -0.152 3.969 4.120 0.001 0.000 0.236 568 V C 2.365 178.360 176.094 -0.166 0.000 1.062 568 V CA 1.355 63.527 62.300 -0.214 0.000 1.081 568 V CB -0.341 31.356 31.823 -0.210 0.000 0.751 568 V HN 0.462 nan 8.190 nan 0.000 0.484 569 c N 0.213 118.729 118.600 -0.141 0.000 2.432 569 c HA -0.036 4.534 4.570 0.001 0.000 0.280 569 c C 2.554 176.586 174.090 -0.098 0.000 1.353 569 c CA 0.429 56.691 56.329 -0.111 0.000 1.766 569 c CB -1.100 41.351 42.510 -0.098 0.000 1.924 569 c HN 0.475 nan 8.230 nan 0.000 0.509 570 L N 1.206 122.368 121.223 -0.101 0.000 2.291 570 L HA 0.015 4.356 4.340 0.001 0.000 0.214 570 L C 1.746 178.559 176.870 -0.094 0.000 1.120 570 L CA 1.540 56.329 54.840 -0.086 0.000 0.799 570 L CB -0.560 41.453 42.059 -0.077 0.000 0.925 570 L HN 0.391 nan 8.230 nan 0.000 0.446 571 N N -1.033 117.597 118.700 -0.118 0.000 2.235 571 N HA 0.101 4.842 4.740 0.001 0.000 0.209 571 N C 0.211 175.640 175.510 -0.134 0.000 1.122 571 N CA 0.375 53.347 53.050 -0.129 0.000 0.845 571 N CB 0.527 38.922 38.487 -0.153 0.000 1.004 571 N HN 0.361 nan 8.380 nan 0.000 0.499 572 T N -3.156 111.328 114.554 -0.115 0.000 2.887 572 T HA 0.406 4.757 4.350 0.001 0.000 0.292 572 T C 1.065 175.717 174.700 -0.080 0.000 1.087 572 T CA -0.737 61.300 62.100 -0.105 0.000 1.009 572 T CB 2.449 71.254 68.868 -0.104 0.000 1.203 572 T HN -0.317 nan 8.240 nan 0.000 0.518 573 K N 0.915 121.275 120.400 -0.067 0.000 2.007 573 K HA 0.083 4.404 4.320 0.001 0.000 0.206 573 K C 1.397 177.971 176.600 -0.043 0.000 1.047 573 K CA 1.482 57.739 56.287 -0.049 0.000 0.937 573 K CB -0.614 31.863 32.500 -0.038 0.000 0.718 573 K HN 0.908 nan 8.250 nan 0.000 0.438 574 T N -2.234 112.295 114.554 -0.041 0.000 2.950 574 T HA 0.340 4.690 4.350 0.001 0.000 0.288 574 T C -0.234 174.439 174.700 -0.045 0.000 1.035 574 T CA -1.017 61.062 62.100 -0.036 0.000 1.028 574 T CB 1.894 70.748 68.868 -0.024 0.000 1.109 574 T HN 0.162 nan 8.240 nan 0.000 0.514 575 c N 4.092 122.668 118.600 -0.040 0.000 2.264 575 c HA 0.700 5.271 4.570 0.001 0.000 0.322 575 c C -1.917 172.153 174.090 -0.033 0.000 1.210 575 c CA -1.292 55.008 56.329 -0.049 0.000 1.539 575 c CB -0.672 41.807 42.510 -0.052 0.000 2.167 575 c HN 0.883 nan 8.230 nan 0.000 0.463 576 P HA 0.216 nan 4.420 nan 0.000 0.306 576 P C -1.278 176.030 177.300 0.013 0.000 1.309 576 P CA -0.526 62.573 63.100 -0.002 0.000 0.759 576 P CB 0.411 32.105 31.700 -0.010 0.000 1.314 577 Y N 0.402 120.663 120.300 -0.065 0.000 2.537 577 Y HA 0.342 4.893 4.550 0.001 0.000 0.339 577 Y C -0.444 175.404 175.900 -0.087 0.000 1.066 577 Y CA 0.048 58.104 58.100 -0.074 0.000 1.357 577 Y CB -0.010 38.410 38.460 -0.065 0.000 1.175 577 Y HN 0.110 nan 8.280 nan 0.000 0.525 578 V N 6.929 126.487 119.914 -0.593 0.000 2.482 578 V HA 0.747 4.868 4.120 0.001 0.000 0.295 578 V C -1.173 174.504 176.094 -0.696 0.000 1.026 578 V CA 0.108 62.104 62.300 -0.507 0.000 0.856 578 V CB 1.440 33.081 31.823 -0.304 0.000 1.001 578 V HN 0.844 nan 8.190 nan 0.000 0.424 579 S N 4.350 119.663 115.700 -0.644 0.000 2.611 579 S HA 0.525 4.996 4.470 0.001 0.000 0.268 579 S C -0.215 174.185 174.600 -0.334 0.000 1.156 579 S CA -0.421 57.418 58.200 -0.601 0.000 0.817 579 S CB 1.476 64.173 63.200 -0.839 0.000 1.122 579 S HN 0.601 nan 8.310 nan 0.000 0.466 580 F N 1.241 121.160 119.950 -0.051 0.000 2.789 580 F HA 0.206 4.733 4.527 0.001 0.000 0.300 580 F C 0.985 176.864 175.800 0.132 0.000 1.132 580 F CA 0.163 58.244 58.000 0.135 0.000 1.404 580 F CB 0.202 39.335 39.000 0.222 0.000 1.114 580 F HN 0.656 nan 8.300 nan 0.000 0.584 581 H N -2.233 116.962 119.070 0.207 0.000 2.747 581 H HA 0.550 5.107 4.556 0.001 0.000 0.371 581 H C -0.530 174.928 175.328 0.217 0.000 1.161 581 H CA -1.653 54.482 56.048 0.145 0.000 1.167 581 H CB 0.601 30.408 29.762 0.075 0.000 1.732 581 H HN -0.158 nan 8.280 nan 0.000 0.544 582 V N -0.848 119.224 119.914 0.263 0.000 3.051 582 V HA 0.337 4.458 4.120 0.001 0.000 0.306 582 V C -2.330 173.893 176.094 0.216 0.000 1.083 582 V CA -1.916 60.505 62.300 0.203 0.000 1.104 582 V CB -0.107 31.786 31.823 0.116 0.000 1.027 582 V HN 0.731 nan 8.190 nan 0.000 0.483 583 P HA 0.206 nan 4.420 nan 0.000 0.266 583 P C -0.089 177.220 177.300 0.014 0.000 1.195 583 P CA 0.938 63.992 63.100 -0.075 0.000 0.768 583 P CB 0.167 31.663 31.700 -0.341 0.000 0.838 584 D N 0.000 120.425 120.400 0.041 0.000 6.856 584 D HA 0.000 4.641 4.640 0.001 0.000 0.175 584 D CA 0.000 54.010 54.000 0.016 0.000 0.868 584 D CB 0.000 40.792 40.800 -0.013 0.000 0.688 584 D HN 0.000 nan 8.370 nan 0.000 0.683