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 1ms4_1_B DATA FIRST_RESID 1 DATA SEQUENCE LAPGSSRVEL FKRQSSKVPF EKDGKVTERV VHSFRLPALV NVDGVMVAIA DATA SEQUENCE DARYETSFDN SLIDTVAKYS VDDGETWETQ IAIKNSRASS VSRVVDPTVI DATA SEQUENCE VKGNKLYVLV GSYNSSRSYW TSHGDARDWD ILLAVGEVTK STAGGKITAS DATA SEQUENCE IKWGSPVSLK EFFPAEMEGM HTNQFLGGAG VAIVASNGNL VYPVQVTNKK DATA SEQUENCE KQVFSKIFYS EDEGKTWKFG KGRSAFGCSE PVALEWEGKL IINTRVDYRR DATA SEQUENCE RLVYESSDMG NTWLEAVGTL SRVWGPSPKS NQPGSQSSFT AVTIEGMRVM DATA SEQUENCE LFTHPLNFKG RWLRDRLNLW LTDNQRIYNV GQVSIGDENS AYSSVLYKDD DATA SEQUENCE KLYCLHEINS NEVYSLVFAR LVGELRIIKS VLQSWKNWDS HLSSIcTPAX DATA SEQUENCE XXXXXXXXGc GPAVTTVGLV GFLSHSATKT EWEDAYRCVN ASTANAERVP DATA SEQUENCE NGLKFAGVGG GALWPVSQQG QNQRYHFANH AFTLVASVTI HEVPKGASPL DATA SEQUENCE LGASLDSSGG KKLLGLSYDK RHQWQPIYGS TPVTPTGSWE MGKRYHVVLT DATA SEQUENCE MANKIGSVYI DGEPLEGSGQ TVVPDERTPD ISHFYVGGYK RSGMPTDSRV DATA SEQUENCE TVNNVLLYNR QLNAEEIRTL FLSQDLIGTE AH VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 L HA 0.000 nan 4.340 nan 0.000 0.249 1 L C 0.000 176.860 176.870 -0.017 0.000 1.165 1 L CA 0.000 54.830 54.840 -0.017 0.000 0.813 1 L CB 0.000 42.047 42.059 -0.021 0.000 0.961 2 A N 1.942 124.749 122.820 -0.022 0.000 2.505 2 A HA 0.549 5.093 4.320 0.374 0.000 0.271 2 A C -2.069 175.506 177.584 -0.014 0.000 1.112 2 A CA -0.511 51.514 52.037 -0.020 0.000 0.781 2 A CB -1.396 17.587 19.000 -0.028 0.000 1.059 2 A HN 0.664 nan 8.150 nan 0.000 0.508 3 P HA 0.190 nan 4.420 nan 0.000 0.261 3 P C 1.234 178.529 177.300 -0.009 0.000 1.173 3 P CA 1.912 65.009 63.100 -0.006 0.000 0.760 3 P CB 0.619 32.317 31.700 -0.003 0.000 0.783 4 G N 1.924 110.720 108.800 -0.007 0.000 2.268 4 G HA2 -0.244 3.940 3.960 0.374 0.000 0.240 4 G HA3 -0.244 3.940 3.960 0.374 0.000 0.240 4 G C 0.466 175.359 174.900 -0.012 0.000 1.010 4 G CA 0.042 45.137 45.100 -0.008 0.000 0.618 4 G HN 0.586 nan 8.290 nan 0.000 0.516 5 S N 0.715 116.406 115.700 -0.016 0.000 2.576 5 S HA 0.660 5.355 4.470 0.374 0.000 0.276 5 S C 0.434 175.031 174.600 -0.006 0.000 1.339 5 S CA 0.529 58.716 58.200 -0.023 0.000 1.039 5 S CB 1.509 64.692 63.200 -0.028 0.000 0.902 5 S HN 1.662 nan 8.310 nan 0.000 0.516 6 S N 1.633 117.332 115.700 -0.002 0.000 2.607 6 S HA 0.813 5.507 4.470 0.374 0.000 0.273 6 S C -0.980 173.639 174.600 0.031 0.000 1.148 6 S CA -1.279 56.934 58.200 0.022 0.000 0.833 6 S CB 1.834 65.056 63.200 0.037 0.000 1.130 6 S HN 0.905 nan 8.310 nan 0.000 0.470 7 R N -0.635 119.895 120.500 0.049 0.000 2.836 7 R HA 0.868 5.432 4.340 0.374 0.000 0.269 7 R C -1.288 175.070 176.300 0.097 0.000 1.010 7 R CA -1.024 55.117 56.100 0.067 0.000 0.930 7 R CB 1.518 31.839 30.300 0.036 0.000 1.218 7 R HN 0.954 nan 8.270 nan 0.000 0.473 8 V N -2.109 117.893 119.914 0.147 0.000 2.914 8 V HA 0.490 4.835 4.120 0.374 0.000 0.314 8 V C -0.385 175.753 176.094 0.073 0.000 1.084 8 V CA -0.993 61.376 62.300 0.115 0.000 0.963 8 V CB 1.818 33.730 31.823 0.149 0.000 1.025 8 V HN 0.974 nan 8.190 nan 0.000 0.432 9 E N 1.821 122.031 120.200 0.018 0.000 1.996 9 E HA 0.226 4.801 4.350 0.374 0.000 0.280 9 E C 0.115 176.674 176.600 -0.068 0.000 1.092 9 E CA -0.497 55.894 56.400 -0.016 0.000 0.862 9 E CB 1.346 31.033 29.700 -0.021 0.000 1.066 9 E HN 0.767 nan 8.360 nan 0.000 0.396 10 L N 5.631 126.802 121.223 -0.087 0.000 2.102 10 L HA 0.171 4.735 4.340 0.374 0.000 0.202 10 L C 0.003 176.553 176.870 -0.535 0.000 1.076 10 L CA 1.448 56.092 54.840 -0.327 0.000 0.761 10 L CB 0.123 41.947 42.059 -0.392 0.000 0.921 10 L HN 0.448 nan 8.230 nan 0.000 0.444 11 F N 1.558 121.208 119.950 -0.500 0.000 2.303 11 F HA 0.329 5.080 4.527 0.375 0.000 0.368 11 F C 0.420 175.962 175.800 -0.431 0.000 1.105 11 F CA -0.544 56.966 58.000 -0.816 0.000 1.153 11 F CB 0.322 38.624 39.000 -1.165 0.000 1.362 11 F HN -0.119 nan 8.300 nan 0.000 0.511 12 K N 5.331 125.651 120.400 -0.134 0.000 2.248 12 K HA 0.311 4.856 4.320 0.374 0.000 0.281 12 K C 0.293 177.013 176.600 0.200 0.000 1.054 12 K CA -0.792 55.515 56.287 0.034 0.000 0.903 12 K CB 0.705 33.193 32.500 -0.019 0.000 1.077 12 K HN 0.660 nan 8.250 nan 0.000 0.474 13 R N 4.321 124.939 120.500 0.196 0.000 2.522 13 R HA -0.041 4.523 4.340 0.374 0.000 0.284 13 R C -0.452 175.869 176.300 0.035 0.000 1.032 13 R CA 0.297 56.484 56.100 0.145 0.000 1.049 13 R CB 0.190 30.504 30.300 0.023 0.000 0.956 13 R HN 0.857 nan 8.270 nan 0.000 0.422 14 Q N -0.164 119.640 119.800 0.007 0.000 2.460 14 Q HA -0.276 4.289 4.340 0.374 0.000 0.248 14 Q C 0.386 176.404 176.000 0.030 0.000 0.847 14 Q CA 1.386 57.182 55.803 -0.011 0.000 1.214 14 Q CB -1.380 27.315 28.738 -0.072 0.000 1.523 14 Q HN 0.897 nan 8.270 nan 0.000 0.602 15 S N -1.775 113.967 115.700 0.070 0.000 3.325 15 S HA 0.182 4.877 4.470 0.374 0.000 0.254 15 S C 0.431 175.072 174.600 0.068 0.000 1.084 15 S CA 0.350 58.580 58.200 0.051 0.000 0.786 15 S CB 0.612 63.827 63.200 0.025 0.000 0.849 15 S HN 0.247 nan 8.310 nan 0.000 0.483 16 S N 2.313 118.077 115.700 0.107 0.000 2.572 16 S HA 0.369 5.063 4.470 0.374 0.000 0.279 16 S C -0.496 174.198 174.600 0.157 0.000 1.341 16 S CA 0.120 58.365 58.200 0.075 0.000 1.043 16 S CB 0.626 63.812 63.200 -0.022 0.000 0.887 16 S HN 0.401 nan 8.310 nan 0.000 0.516 17 K N 1.296 121.752 120.400 0.094 0.000 2.259 17 K HA 0.666 5.211 4.320 0.374 0.000 0.249 17 K C -0.642 176.035 176.600 0.129 0.000 0.942 17 K CA -0.815 55.545 56.287 0.122 0.000 0.816 17 K CB 1.717 34.265 32.500 0.080 0.000 1.155 17 K HN 0.464 nan 8.250 nan 0.000 0.428 18 V N -1.244 118.783 119.914 0.187 0.000 3.001 18 V HA 0.600 4.944 4.120 0.374 0.000 0.314 18 V C -2.673 173.546 176.094 0.208 0.000 1.099 18 V CA -2.753 59.659 62.300 0.187 0.000 0.989 18 V CB 1.729 33.693 31.823 0.236 0.000 1.040 18 V HN 0.621 nan 8.190 nan 0.000 0.434 19 P HA 0.191 nan 4.420 nan 0.000 0.268 19 P C -0.814 176.598 177.300 0.187 0.000 1.541 19 P CA 0.199 63.390 63.100 0.151 0.000 1.093 19 P CB -0.339 31.419 31.700 0.098 0.000 1.551 20 F N 3.430 123.426 119.950 0.077 0.000 2.444 20 F HA 0.223 4.974 4.527 0.373 0.000 0.360 20 F C 0.469 176.260 175.800 -0.015 0.000 1.106 20 F CA -0.573 57.443 58.000 0.026 0.000 1.170 20 F CB 0.619 39.577 39.000 -0.069 0.000 1.113 20 F HN 0.204 nan 8.300 nan 0.000 0.521 21 E N 7.601 127.468 120.200 -0.554 0.000 2.156 21 E HA 0.280 4.854 4.350 0.374 0.000 0.279 21 E C -1.417 174.780 176.600 -0.671 0.000 0.965 21 E CA -0.748 55.385 56.400 -0.444 0.000 0.789 21 E CB 1.031 30.602 29.700 -0.216 0.000 1.098 21 E HN 0.736 nan 8.360 nan 0.000 0.397 22 K N 4.423 124.535 120.400 -0.480 0.000 2.535 22 K HA 0.148 4.692 4.320 0.374 0.000 0.250 22 K C -1.249 175.258 176.600 -0.156 0.000 0.948 22 K CA -0.462 55.621 56.287 -0.339 0.000 0.796 22 K CB 0.974 33.287 32.500 -0.311 0.000 1.216 22 K HN 0.548 nan 8.250 nan 0.000 0.432 23 D N 3.201 123.533 120.400 -0.114 0.000 2.699 23 D HA -0.176 4.689 4.640 0.374 0.000 0.239 23 D C 0.644 176.910 176.300 -0.057 0.000 1.136 23 D CA 1.850 55.810 54.000 -0.066 0.000 0.668 23 D CB -1.169 39.605 40.800 -0.043 0.000 1.060 23 D HN 1.110 nan 8.370 nan 0.000 0.429 24 G N -0.048 108.712 108.800 -0.067 0.000 2.189 24 G HA2 -0.385 3.799 3.960 0.374 0.000 0.267 24 G HA3 -0.385 3.799 3.960 0.374 0.000 0.267 24 G C 0.317 175.189 174.900 -0.047 0.000 0.975 24 G CA 1.001 46.072 45.100 -0.049 0.000 0.644 24 G HN 0.672 nan 8.290 nan 0.000 0.537 25 K N 0.303 120.666 120.400 -0.062 0.000 2.244 25 K HA 0.629 5.173 4.320 0.374 0.000 0.260 25 K C -0.322 176.243 176.600 -0.059 0.000 0.951 25 K CA -0.758 55.503 56.287 -0.043 0.000 0.826 25 K CB 1.741 34.228 32.500 -0.022 0.000 1.108 25 K HN 0.058 nan 8.250 nan 0.000 0.433 26 V N 3.366 123.265 119.914 -0.024 0.000 2.398 26 V HA 0.376 4.720 4.120 0.374 0.000 0.286 26 V C -0.506 175.614 176.094 0.043 0.000 1.026 26 V CA -0.671 61.624 62.300 -0.009 0.000 0.868 26 V CB 1.502 33.327 31.823 0.002 0.000 0.982 26 V HN 0.874 nan 8.190 nan 0.000 0.443 27 T N 3.360 117.973 114.554 0.098 0.000 2.848 27 T HA 0.346 4.920 4.350 0.374 0.000 0.285 27 T C -0.462 174.326 174.700 0.147 0.000 0.995 27 T CA -0.646 61.527 62.100 0.121 0.000 0.970 27 T CB 1.616 70.569 68.868 0.141 0.000 0.976 27 T HN 0.586 nan 8.240 nan 0.000 0.441 28 E N 2.799 123.061 120.200 0.104 0.000 2.292 28 E HA 0.093 4.668 4.350 0.374 0.000 0.265 28 E C 0.018 176.684 176.600 0.109 0.000 1.093 28 E CA 0.180 56.644 56.400 0.106 0.000 0.922 28 E CB 0.572 30.314 29.700 0.070 0.000 1.001 28 E HN 0.389 nan 8.360 nan 0.000 0.444 29 R N 2.420 123.009 120.500 0.149 0.000 2.534 29 R HA 0.310 4.874 4.340 0.374 0.000 0.301 29 R C -0.658 175.728 176.300 0.144 0.000 0.961 29 R CA -0.730 55.440 56.100 0.116 0.000 0.871 29 R CB 1.204 31.548 30.300 0.072 0.000 1.170 29 R HN 0.194 nan 8.270 nan 0.000 0.446 30 V N 4.738 124.708 119.914 0.094 0.000 2.673 30 V HA 0.053 4.397 4.120 0.374 0.000 0.303 30 V C 0.094 176.243 176.094 0.091 0.000 1.046 30 V CA 0.031 62.387 62.300 0.092 0.000 1.126 30 V CB 1.235 33.094 31.823 0.059 0.000 0.934 30 V HN 0.454 nan 8.190 nan 0.000 0.487 31 V N 4.492 124.428 119.914 0.036 0.000 2.435 31 V HA 0.252 4.597 4.120 0.374 0.000 0.290 31 V C 1.056 177.044 176.094 -0.176 0.000 1.030 31 V CA -0.439 61.742 62.300 -0.198 0.000 0.881 31 V CB 1.251 32.680 31.823 -0.657 0.000 0.983 31 V HN 0.971 nan 8.190 nan 0.000 0.445 32 H N 2.548 121.475 119.070 -0.238 0.000 2.299 32 H HA 0.067 4.848 4.556 0.374 0.000 0.302 32 H C 0.354 175.590 175.328 -0.153 0.000 1.078 32 H CA 1.484 57.452 56.048 -0.134 0.000 1.323 32 H CB 0.715 30.426 29.762 -0.084 0.000 1.381 32 H HN 0.598 nan 8.280 nan 0.000 0.498 33 S N -0.629 114.990 115.700 -0.135 0.000 2.540 33 S HA 0.406 5.100 4.470 0.374 0.000 0.275 33 S C -1.531 172.840 174.600 -0.381 0.000 1.123 33 S CA -0.637 57.508 58.200 -0.092 0.000 0.907 33 S CB 1.678 65.004 63.200 0.209 0.000 1.081 33 S HN 0.197 nan 8.310 nan 0.000 0.476 34 F N 2.207 122.152 119.950 -0.007 0.000 2.444 34 F HA 0.621 5.373 4.527 0.374 0.000 0.342 34 F C 0.875 176.582 175.800 -0.155 0.000 1.121 34 F CA -0.604 57.335 58.000 -0.102 0.000 0.997 34 F CB 1.293 40.242 39.000 -0.086 0.000 1.130 34 F HN 0.245 nan 8.300 nan 0.000 0.454 35 R N 1.464 121.911 120.500 -0.088 0.000 2.987 35 R HA 0.668 5.232 4.340 0.374 0.000 0.248 35 R C -0.840 175.400 176.300 -0.100 0.000 1.264 35 R CA -1.359 54.634 56.100 -0.178 0.000 1.026 35 R CB 1.541 31.602 30.300 -0.398 0.000 1.286 35 R HN 0.675 nan 8.270 nan 0.000 0.483 36 L N 1.212 122.434 121.223 -0.002 0.000 3.632 36 L HA -0.142 4.422 4.340 0.374 0.000 0.510 36 L C -2.140 174.749 176.870 0.031 0.000 1.299 36 L CA -0.412 54.496 54.840 0.113 0.000 0.829 36 L CB -1.156 40.939 42.059 0.060 0.000 1.559 36 L HN 0.401 nan 8.230 nan 0.000 0.857 37 P HA 0.342 nan 4.420 nan 0.000 0.271 37 P C -0.457 176.865 177.300 0.037 0.000 1.218 37 P CA 0.084 63.166 63.100 -0.030 0.000 0.780 37 P CB 1.555 33.258 31.700 0.006 0.000 0.901 38 A N 3.253 126.099 122.820 0.044 0.000 2.466 38 A HA 0.512 5.057 4.320 0.374 0.000 0.284 38 A C -1.609 176.064 177.584 0.147 0.000 1.049 38 A CA -0.543 51.558 52.037 0.105 0.000 0.760 38 A CB 0.874 19.941 19.000 0.111 0.000 1.274 38 A HN 0.470 nan 8.150 nan 0.000 0.412 39 L N 4.173 125.505 121.223 0.182 0.000 2.319 39 L HA 0.826 5.390 4.340 0.374 0.000 0.281 39 L C -0.384 176.617 176.870 0.219 0.000 1.005 39 L CA -0.356 54.627 54.840 0.238 0.000 0.828 39 L CB 1.608 43.837 42.059 0.283 0.000 1.227 39 L HN 1.090 nan 8.230 nan 0.000 0.415 40 V N 1.977 122.020 119.914 0.215 0.000 3.160 40 V HA 0.740 5.084 4.120 0.374 0.000 0.310 40 V C -1.142 175.035 176.094 0.138 0.000 1.181 40 V CA -0.827 61.577 62.300 0.173 0.000 1.047 40 V CB 2.133 34.056 31.823 0.166 0.000 1.068 40 V HN 0.809 nan 8.190 nan 0.000 0.441 41 N N 0.706 119.467 118.700 0.102 0.000 2.407 41 N HA 0.615 5.580 4.740 0.374 0.000 0.277 41 N C -1.332 174.205 175.510 0.046 0.000 0.995 41 N CA -0.428 52.656 53.050 0.056 0.000 0.903 41 N CB 1.784 40.294 38.487 0.038 0.000 1.218 41 N HN 0.719 nan 8.380 nan 0.000 0.487 42 V N 3.612 123.539 119.914 0.023 0.000 2.284 42 V HA 0.249 4.593 4.120 0.374 0.000 0.274 42 V C 0.000 176.079 176.094 -0.025 0.000 1.023 42 V CA -0.661 61.640 62.300 0.001 0.000 0.808 42 V CB 0.557 32.369 31.823 -0.018 0.000 1.035 42 V HN 0.901 nan 8.190 nan 0.000 0.445 43 D N 4.430 124.818 120.400 -0.020 0.000 2.689 43 D HA -0.177 4.688 4.640 0.374 0.000 0.237 43 D C 1.265 177.542 176.300 -0.038 0.000 1.148 43 D CA 1.992 55.974 54.000 -0.030 0.000 0.656 43 D CB -1.078 39.698 40.800 -0.041 0.000 1.050 43 D HN 1.359 nan 8.370 nan 0.000 0.426 44 G N -2.122 106.657 108.800 -0.035 0.000 2.199 44 G HA2 -0.250 3.934 3.960 0.374 0.000 0.254 44 G HA3 -0.250 3.934 3.960 0.374 0.000 0.254 44 G C 0.344 175.206 174.900 -0.063 0.000 0.982 44 G CA 0.205 45.277 45.100 -0.047 0.000 0.632 44 G HN 0.998 nan 8.290 nan 0.000 0.529 45 V N 2.308 122.188 119.914 -0.057 0.000 2.394 45 V HA 0.627 4.971 4.120 0.374 0.000 0.282 45 V C 0.804 176.872 176.094 -0.043 0.000 1.031 45 V CA -0.392 61.871 62.300 -0.062 0.000 0.881 45 V CB 1.572 33.359 31.823 -0.060 0.000 0.982 45 V HN 0.354 nan 8.190 nan 0.000 0.451 46 M N 4.505 124.048 119.600 -0.096 0.000 2.250 46 M HA 0.513 5.218 4.480 0.374 0.000 0.344 46 M C -0.877 175.495 176.300 0.120 0.000 1.150 46 M CA -0.245 55.027 55.300 -0.047 0.000 1.147 46 M CB 1.568 34.038 32.600 -0.216 0.000 1.498 46 M HN 0.421 nan 8.290 nan 0.000 0.461 47 V N 2.095 122.158 119.914 0.248 0.000 2.577 47 V HA 0.711 5.055 4.120 0.374 0.000 0.303 47 V C -0.626 175.717 176.094 0.414 0.000 1.042 47 V CA -0.937 61.592 62.300 0.381 0.000 0.872 47 V CB 1.631 33.636 31.823 0.304 0.000 0.998 47 V HN 0.917 nan 8.190 nan 0.000 0.423 48 A N 5.938 129.044 122.820 0.477 0.000 2.304 48 A HA 0.919 5.463 4.320 0.374 0.000 0.314 48 A C -0.890 176.876 177.584 0.303 0.000 1.187 48 A CA -0.379 51.872 52.037 0.357 0.000 0.810 48 A CB 0.630 19.825 19.000 0.326 0.000 1.183 48 A HN 0.779 nan 8.150 nan 0.000 0.487 49 I N 1.641 122.308 120.570 0.162 0.000 2.530 49 I HA 0.764 5.159 4.170 0.374 0.000 0.297 49 I C 0.314 176.400 176.117 -0.051 0.000 1.011 49 I CA -0.076 61.280 61.300 0.094 0.000 1.107 49 I CB 2.222 40.299 38.000 0.128 0.000 1.285 49 I HN 0.848 nan 8.210 nan 0.000 0.436 50 A N 3.581 126.355 122.820 -0.077 0.000 2.564 50 A HA 0.523 5.068 4.320 0.374 0.000 0.291 50 A C -1.882 175.662 177.584 -0.066 0.000 1.102 50 A CA -0.757 51.201 52.037 -0.131 0.000 0.660 50 A CB 0.986 19.776 19.000 -0.349 0.000 1.283 50 A HN 0.528 nan 8.150 nan 0.000 0.430 51 D N 1.418 121.772 120.400 -0.077 0.000 2.383 51 D HA 0.461 5.326 4.640 0.374 0.000 0.252 51 D C 0.246 176.484 176.300 -0.104 0.000 1.166 51 D CA 1.061 55.004 54.000 -0.096 0.000 0.879 51 D CB 1.235 41.956 40.800 -0.131 0.000 1.164 51 D HN 0.807 nan 8.370 nan 0.000 0.462 52 A N 4.317 127.029 122.820 -0.180 0.000 2.341 52 A HA 0.297 4.841 4.320 0.374 0.000 0.326 52 A C 0.199 177.401 177.584 -0.637 0.000 1.402 52 A CA -0.705 51.051 52.037 -0.467 0.000 0.957 52 A CB 0.190 18.931 19.000 -0.431 0.000 1.151 52 A HN 0.400 nan 8.150 nan 0.000 0.533 53 R N 3.003 123.174 120.500 -0.548 0.000 2.308 53 R HA 0.221 4.785 4.340 0.374 0.000 0.325 53 R C -0.319 175.777 176.300 -0.341 0.000 1.161 53 R CA -0.119 55.771 56.100 -0.349 0.000 1.022 53 R CB 0.194 30.364 30.300 -0.217 0.000 1.091 53 R HN 0.837 nan 8.270 nan 0.000 0.497 54 Y N 1.154 121.361 120.300 -0.155 0.000 2.128 54 Y HA -0.242 4.532 4.550 0.373 0.000 0.284 54 Y C 1.957 177.784 175.900 -0.121 0.000 1.154 54 Y CA 1.324 59.329 58.100 -0.158 0.000 1.149 54 Y CB 0.268 38.610 38.460 -0.196 0.000 0.976 54 Y HN 0.444 nan 8.280 nan 0.000 0.505 55 E N -1.250 118.962 120.200 0.020 0.000 2.447 55 E HA 0.127 4.701 4.350 0.374 0.000 0.204 55 E C 0.215 176.626 176.600 -0.316 0.000 0.977 55 E CA 0.551 56.906 56.400 -0.076 0.000 0.950 55 E CB 0.981 30.647 29.700 -0.057 0.000 0.975 55 E HN 0.227 nan 8.360 nan 0.000 0.496 56 T N -1.083 113.242 114.554 -0.383 0.000 3.003 56 T HA 0.058 4.632 4.350 0.374 0.000 0.354 56 T C 0.408 174.973 174.700 -0.226 0.000 1.651 56 T CA 0.160 61.882 62.100 -0.630 0.000 1.103 56 T CB 0.893 69.587 68.868 -0.291 0.000 1.450 56 T HN -0.070 nan 8.240 nan 0.000 0.484 57 S N 2.717 118.396 115.700 -0.034 0.000 2.547 57 S HA 0.101 4.796 4.470 0.374 0.000 0.235 57 S C 0.733 175.333 174.600 0.001 0.000 0.980 57 S CA -0.157 58.086 58.200 0.071 0.000 0.941 57 S CB -0.700 62.693 63.200 0.321 0.000 0.763 57 S HN 0.624 nan 8.310 nan 0.000 0.532 58 F N 3.756 123.638 119.950 -0.112 0.000 2.608 58 F HA 0.117 4.868 4.527 0.374 0.000 0.380 58 F C 0.973 176.707 175.800 -0.110 0.000 1.083 58 F CA -0.542 57.389 58.000 -0.115 0.000 1.266 58 F CB 0.282 39.222 39.000 -0.101 0.000 1.076 58 F HN -0.030 nan 8.300 nan 0.000 0.574 59 D N 2.845 122.745 120.400 -0.833 0.000 2.133 59 D HA -0.223 4.641 4.640 0.374 0.000 0.195 59 D C 0.325 176.379 176.300 -0.410 0.000 0.997 59 D CA 1.544 55.220 54.000 -0.541 0.000 0.840 59 D CB -0.179 40.354 40.800 -0.446 0.000 0.947 59 D HN 0.482 nan 8.370 nan 0.000 0.452 60 N N 1.107 119.470 118.700 -0.563 0.000 3.034 60 N HA 0.120 5.084 4.740 0.374 0.000 0.265 60 N C -0.258 175.280 175.510 0.047 0.000 1.166 60 N CA 0.017 52.974 53.050 -0.153 0.000 1.081 60 N CB 0.834 39.295 38.487 -0.044 0.000 1.378 60 N HN 0.089 nan 8.380 nan 0.000 0.520 61 S N -0.467 115.241 115.700 0.014 0.000 2.752 61 S HA 0.404 5.098 4.470 0.374 0.000 0.284 61 S C -0.667 173.963 174.600 0.049 0.000 1.189 61 S CA -0.953 57.283 58.200 0.060 0.000 0.835 61 S CB 1.223 64.465 63.200 0.070 0.000 1.192 61 S HN 0.159 nan 8.310 nan 0.000 0.506 62 L N 1.429 122.695 121.223 0.071 0.000 2.530 62 L HA 0.513 5.077 4.340 0.374 0.000 0.273 62 L C -1.077 175.903 176.870 0.184 0.000 1.141 62 L CA 0.539 55.457 54.840 0.130 0.000 0.905 62 L CB -0.901 41.234 42.059 0.127 0.000 1.202 62 L HN 0.557 nan 8.230 nan 0.000 0.473 63 I N 4.213 124.876 120.570 0.155 0.000 2.569 63 I HA 0.389 4.784 4.170 0.374 0.000 0.290 63 I C -0.950 175.242 176.117 0.124 0.000 1.088 63 I CA -0.791 60.551 61.300 0.070 0.000 1.047 63 I CB 1.995 39.980 38.000 -0.025 0.000 1.237 63 I HN 0.420 nan 8.210 nan 0.000 0.421 64 D N 2.974 123.436 120.400 0.104 0.000 2.374 64 D HA 0.390 5.254 4.640 0.374 0.000 0.239 64 D C -0.550 175.736 176.300 -0.024 0.000 0.991 64 D CA -0.317 53.738 54.000 0.092 0.000 0.960 64 D CB 2.281 43.211 40.800 0.218 0.000 1.284 64 D HN 0.329 nan 8.370 nan 0.000 0.512 65 T N 0.462 114.983 114.554 -0.055 0.000 2.761 65 T HA 0.307 4.882 4.350 0.374 0.000 0.296 65 T C 0.093 174.739 174.700 -0.090 0.000 0.934 65 T CA -0.353 61.691 62.100 -0.093 0.000 1.091 65 T CB 0.851 69.628 68.868 -0.152 0.000 0.896 65 T HN 0.077 nan 8.240 nan 0.000 0.515 66 V N 2.802 122.710 119.914 -0.010 0.000 2.612 66 V HA 0.848 5.192 4.120 0.374 0.000 0.301 66 V C -0.491 175.663 176.094 0.101 0.000 1.046 66 V CA -0.698 61.649 62.300 0.078 0.000 0.946 66 V CB 1.272 33.256 31.823 0.268 0.000 1.003 66 V HN 1.050 nan 8.190 nan 0.000 0.459 67 A N 6.308 129.201 122.820 0.121 0.000 2.343 67 A HA 0.791 5.335 4.320 0.374 0.000 0.308 67 A C -0.693 177.047 177.584 0.260 0.000 1.092 67 A CA -0.816 51.364 52.037 0.239 0.000 0.751 67 A CB 1.201 20.380 19.000 0.299 0.000 1.203 67 A HN 0.837 nan 8.150 nan 0.000 0.452 68 K N 1.171 121.733 120.400 0.270 0.000 2.203 68 K HA 0.648 5.192 4.320 0.374 0.000 0.251 68 K C -1.448 175.445 176.600 0.488 0.000 0.944 68 K CA -0.521 55.847 56.287 0.134 0.000 0.829 68 K CB 2.087 34.372 32.500 -0.359 0.000 1.125 68 K HN 0.767 nan 8.250 nan 0.000 0.430 69 Y N -2.138 118.427 120.300 0.442 0.000 2.524 69 Y HA 0.649 5.423 4.550 0.374 0.000 0.347 69 Y C -0.794 175.127 175.900 0.036 0.000 1.005 69 Y CA -1.045 57.239 58.100 0.306 0.000 1.025 69 Y CB 2.107 40.668 38.460 0.169 0.000 1.275 69 Y HN 0.441 nan 8.280 nan 0.000 0.460 70 S N 1.704 117.273 115.700 -0.219 0.000 2.557 70 S HA 0.447 5.142 4.470 0.374 0.000 0.291 70 S C 0.005 174.431 174.600 -0.291 0.000 1.116 70 S CA -0.260 57.602 58.200 -0.562 0.000 0.992 70 S CB 1.404 63.730 63.200 -1.457 0.000 1.028 70 S HN 1.311 nan 8.310 nan 0.000 0.484 71 V N 0.955 120.758 119.914 -0.185 0.000 3.649 71 V HA 0.346 4.690 4.120 0.374 0.000 0.275 71 V C 0.354 176.351 176.094 -0.163 0.000 1.281 71 V CA 0.717 62.940 62.300 -0.129 0.000 1.143 71 V CB -0.541 31.244 31.823 -0.063 0.000 0.892 71 V HN 0.824 nan 8.190 nan 0.000 0.441 72 D N -0.771 119.483 120.400 -0.243 0.000 2.980 72 D HA 0.166 5.031 4.640 0.374 0.000 0.333 72 D C 0.005 176.177 176.300 -0.214 0.000 1.356 72 D CA -0.447 53.437 54.000 -0.195 0.000 0.847 72 D CB -0.588 40.117 40.800 -0.158 0.000 1.122 72 D HN 0.288 nan 8.370 nan 0.000 0.475 73 D N 0.336 120.588 120.400 -0.247 0.000 2.837 73 D HA -0.164 4.700 4.640 0.374 0.000 0.230 73 D C 1.237 177.409 176.300 -0.212 0.000 1.152 73 D CA 1.403 55.277 54.000 -0.210 0.000 0.736 73 D CB -1.467 39.336 40.800 0.005 0.000 1.084 73 D HN 0.771 nan 8.370 nan 0.000 0.429 74 G N -0.505 107.936 108.800 -0.599 0.000 2.143 74 G HA2 -0.360 3.824 3.960 0.374 0.000 0.249 74 G HA3 -0.360 3.824 3.960 0.374 0.000 0.249 74 G C 0.809 175.534 174.900 -0.291 0.000 0.981 74 G CA 0.555 45.194 45.100 -0.769 0.000 0.665 74 G HN 0.396 nan 8.290 nan 0.000 0.528 75 E N -0.069 119.984 120.200 -0.244 0.000 2.122 75 E HA 0.082 4.656 4.350 0.374 0.000 0.190 75 E C 1.567 178.116 176.600 -0.085 0.000 0.977 75 E CA 1.693 58.052 56.400 -0.067 0.000 0.820 75 E CB 0.211 29.883 29.700 -0.047 0.000 0.770 75 E HN 0.876 nan 8.360 nan 0.000 0.462 76 T N -2.363 112.037 114.554 -0.256 0.000 2.903 76 T HA 0.550 5.124 4.350 0.374 0.000 0.299 76 T C -1.385 173.121 174.700 -0.324 0.000 1.093 76 T CA -0.891 61.121 62.100 -0.146 0.000 1.002 76 T CB 1.341 70.151 68.868 -0.097 0.000 1.127 76 T HN -0.016 nan 8.240 nan 0.000 0.488 77 W N 0.525 121.685 121.300 -0.233 0.000 3.138 77 W HA 0.589 5.474 4.660 0.374 0.000 0.331 77 W C -0.405 175.897 176.519 -0.363 0.000 1.166 77 W CA -0.757 56.398 57.345 -0.317 0.000 1.212 77 W CB 1.495 30.739 29.460 -0.359 0.000 1.399 77 W HN 0.579 nan 8.180 nan 0.000 0.514 78 E N 1.152 121.153 120.200 -0.331 0.000 2.283 78 E HA 0.595 5.169 4.350 0.374 0.000 0.271 78 E C -0.595 175.800 176.600 -0.342 0.000 1.031 78 E CA -0.389 55.752 56.400 -0.431 0.000 0.868 78 E CB 1.686 30.929 29.700 -0.762 0.000 1.094 78 E HN 0.230 nan 8.360 nan 0.000 0.401 79 T N 2.285 116.736 114.554 -0.171 0.000 2.861 79 T HA 0.442 5.017 4.350 0.374 0.000 0.287 79 T C -0.317 174.405 174.700 0.036 0.000 1.003 79 T CA -0.870 61.181 62.100 -0.082 0.000 0.977 79 T CB 1.577 70.377 68.868 -0.114 0.000 0.996 79 T HN 0.446 nan 8.240 nan 0.000 0.448 80 Q N 1.737 121.600 119.800 0.105 0.000 2.565 80 Q HA 0.595 5.159 4.340 0.374 0.000 0.294 80 Q C -1.703 174.339 176.000 0.069 0.000 1.005 80 Q CA -1.117 54.765 55.803 0.132 0.000 0.771 80 Q CB 1.337 30.222 28.738 0.244 0.000 1.486 80 Q HN 0.354 nan 8.270 nan 0.000 0.422 81 I N 1.759 122.345 120.570 0.025 0.000 2.315 81 I HA 0.293 4.687 4.170 0.374 0.000 0.291 81 I C 0.764 176.709 176.117 -0.286 0.000 1.006 81 I CA -0.148 61.121 61.300 -0.051 0.000 1.265 81 I CB 0.961 38.978 38.000 0.028 0.000 1.387 81 I HN 0.982 nan 8.210 nan 0.000 0.475 82 A N 7.686 130.175 122.820 -0.551 0.000 1.903 82 A HA 0.255 4.799 4.320 0.374 0.000 0.213 82 A C 0.844 178.012 177.584 -0.695 0.000 1.185 82 A CA 1.016 52.266 52.037 -1.310 0.000 0.628 82 A CB 0.153 18.156 19.000 -1.661 0.000 0.830 82 A HN 0.606 nan 8.150 nan 0.000 0.446 83 I N -0.074 120.274 120.570 -0.371 0.000 2.607 83 I HA 0.247 4.642 4.170 0.374 0.000 0.290 83 I C -0.876 175.181 176.117 -0.099 0.000 1.129 83 I CA -0.870 60.318 61.300 -0.187 0.000 1.042 83 I CB 2.365 40.269 38.000 -0.160 0.000 1.242 83 I HN 0.251 nan 8.210 nan 0.000 0.421 84 K N 5.361 125.723 120.400 -0.064 0.000 2.138 84 K HA 0.475 5.019 4.320 0.374 0.000 0.263 84 K C -0.414 176.171 176.600 -0.026 0.000 0.965 84 K CA -0.750 55.520 56.287 -0.027 0.000 0.868 84 K CB 1.377 33.846 32.500 -0.051 0.000 1.083 84 K HN 0.696 nan 8.250 nan 0.000 0.443 85 N N 1.216 119.923 118.700 0.013 0.000 2.263 85 N HA -0.114 4.850 4.740 0.374 0.000 0.239 85 N C 0.621 176.124 175.510 -0.012 0.000 1.317 85 N CA -0.083 52.969 53.050 0.004 0.000 0.909 85 N CB 0.696 39.212 38.487 0.047 0.000 1.171 85 N HN 0.792 nan 8.380 nan 0.000 0.492 86 S N -0.586 115.105 115.700 -0.016 0.000 2.428 86 S HA -0.080 4.615 4.470 0.374 0.000 0.230 86 S C 0.654 175.246 174.600 -0.015 0.000 1.014 86 S CA 0.129 58.313 58.200 -0.025 0.000 0.957 86 S CB -0.329 62.855 63.200 -0.026 0.000 0.784 86 S HN 0.723 nan 8.310 nan 0.000 0.499 87 R N -0.591 119.914 120.500 0.008 0.000 3.854 87 R HA -0.136 4.428 4.340 0.374 0.000 0.352 87 R C 1.109 177.419 176.300 0.016 0.000 1.156 87 R CA 0.814 56.923 56.100 0.016 0.000 0.917 87 R CB -2.547 27.744 30.300 -0.016 0.000 1.471 87 R HN 0.627 nan 8.270 nan 0.000 0.521 88 A N 0.535 123.366 122.820 0.018 0.000 1.929 88 A HA 0.020 4.564 4.320 0.374 0.000 0.216 88 A C 1.175 178.773 177.584 0.024 0.000 1.176 88 A CA 1.790 53.837 52.037 0.017 0.000 0.628 88 A CB 0.075 19.086 19.000 0.019 0.000 0.816 88 A HN 0.673 nan 8.150 nan 0.000 0.444 89 S N -2.773 112.947 115.700 0.034 0.000 2.776 89 S HA 0.387 5.081 4.470 0.374 0.000 0.292 89 S C 0.753 175.375 174.600 0.035 0.000 1.187 89 S CA 0.410 58.630 58.200 0.033 0.000 0.834 89 S CB 0.728 63.951 63.200 0.038 0.000 1.199 89 S HN 0.803 nan 8.310 nan 0.000 0.514 90 S N -0.270 115.446 115.700 0.028 0.000 2.547 90 S HA -0.020 4.674 4.470 0.374 0.000 0.235 90 S C 1.251 175.875 174.600 0.041 0.000 0.980 90 S CA 0.751 58.965 58.200 0.023 0.000 0.941 90 S CB -0.935 62.270 63.200 0.008 0.000 0.763 90 S HN 1.697 nan 8.310 nan 0.000 0.532 91 V N -2.262 117.685 119.914 0.055 0.000 3.159 91 V HA 0.470 4.814 4.120 0.374 0.000 0.333 91 V C 0.089 176.232 176.094 0.082 0.000 1.424 91 V CA -0.678 61.664 62.300 0.071 0.000 1.125 91 V CB -0.262 31.611 31.823 0.082 0.000 1.075 91 V HN 0.237 nan 8.190 nan 0.000 0.482 92 S N 3.494 119.241 115.700 0.079 0.000 2.510 92 S HA 0.599 5.293 4.470 0.374 0.000 0.279 92 S C 0.161 174.815 174.600 0.090 0.000 1.284 92 S CA -0.277 57.973 58.200 0.084 0.000 1.059 92 S CB 0.193 63.430 63.200 0.062 0.000 0.901 92 S HN 0.922 nan 8.310 nan 0.000 0.491 93 R N 0.400 120.958 120.500 0.096 0.000 2.668 93 R HA 0.688 5.253 4.340 0.374 0.000 0.272 93 R C -1.586 174.747 176.300 0.054 0.000 1.019 93 R CA -1.061 55.086 56.100 0.079 0.000 0.894 93 R CB 0.795 31.134 30.300 0.066 0.000 1.228 93 R HN 0.350 nan 8.270 nan 0.000 0.460 94 V N -0.383 119.536 119.914 0.008 0.000 2.513 94 V HA 0.833 5.177 4.120 0.374 0.000 0.299 94 V C 0.240 176.305 176.094 -0.048 0.000 1.035 94 V CA -0.779 61.492 62.300 -0.049 0.000 0.889 94 V CB 1.213 32.987 31.823 -0.080 0.000 0.988 94 V HN 0.734 nan 8.190 nan 0.000 0.440 95 V N -0.390 119.481 119.914 -0.071 0.000 3.007 95 V HA 0.729 5.074 4.120 0.374 0.000 0.311 95 V C -0.454 175.568 176.094 -0.120 0.000 1.120 95 V CA -0.750 61.504 62.300 -0.077 0.000 0.980 95 V CB 1.701 33.499 31.823 -0.042 0.000 1.033 95 V HN 0.885 nan 8.190 nan 0.000 0.429 96 D N 1.097 121.441 120.400 -0.093 0.000 2.737 96 D HA -0.096 4.768 4.640 0.374 0.000 0.238 96 D C -2.390 173.860 176.300 -0.084 0.000 1.157 96 D CA 1.132 55.084 54.000 -0.079 0.000 0.694 96 D CB -0.981 39.743 40.800 -0.126 0.000 1.021 96 D HN 0.772 nan 8.370 nan 0.000 0.420 97 P HA 0.029 nan 4.420 nan 0.000 0.266 97 P C -0.251 177.058 177.300 0.016 0.000 1.215 97 P CA 0.349 63.425 63.100 -0.040 0.000 0.763 97 P CB 0.750 32.433 31.700 -0.028 0.000 0.806 98 T N 3.090 117.661 114.554 0.027 0.000 2.786 98 T HA 0.368 4.943 4.350 0.374 0.000 0.283 98 T C 0.132 175.035 174.700 0.338 0.000 0.992 98 T CA -0.490 61.702 62.100 0.153 0.000 0.954 98 T CB 1.020 69.948 68.868 0.100 0.000 0.934 98 T HN 0.053 nan 8.240 nan 0.000 0.440 99 V N 4.744 124.861 119.914 0.338 0.000 2.532 99 V HA 0.612 4.957 4.120 0.374 0.000 0.295 99 V C -0.128 176.153 176.094 0.312 0.000 1.041 99 V CA -0.810 61.698 62.300 0.347 0.000 0.926 99 V CB 1.509 33.488 31.823 0.259 0.000 0.992 99 V HN 0.800 nan 8.190 nan 0.000 0.457 100 I N 3.268 124.020 120.570 0.302 0.000 2.686 100 I HA 0.512 4.906 4.170 0.374 0.000 0.295 100 I C -0.996 175.273 176.117 0.253 0.000 1.114 100 I CA -0.882 60.523 61.300 0.175 0.000 1.038 100 I CB 2.514 40.511 38.000 -0.005 0.000 1.238 100 I HN 0.261 nan 8.210 nan 0.000 0.420 101 V N 5.212 125.230 119.914 0.173 0.000 2.459 101 V HA 0.482 4.826 4.120 0.374 0.000 0.295 101 V C -0.300 175.877 176.094 0.139 0.000 1.029 101 V CA -0.602 61.798 62.300 0.166 0.000 0.874 101 V CB 1.761 33.652 31.823 0.114 0.000 0.985 101 V HN 0.633 nan 8.190 nan 0.000 0.438 102 K N 3.193 123.700 120.400 0.178 0.000 2.687 102 K HA 0.555 5.100 4.320 0.374 0.000 0.249 102 K C 0.550 177.210 176.600 0.101 0.000 0.994 102 K CA 0.406 56.767 56.287 0.123 0.000 0.913 102 K CB 1.284 33.854 32.500 0.118 0.000 1.202 102 K HN 0.973 nan 8.250 nan 0.000 0.460 103 G N 3.637 112.464 108.800 0.046 0.000 2.602 103 G HA2 -0.355 3.829 3.960 0.374 0.000 0.310 103 G HA3 -0.355 3.829 3.960 0.374 0.000 0.310 103 G C 0.267 175.166 174.900 -0.001 0.000 1.183 103 G CA 0.362 45.472 45.100 0.017 0.000 0.979 103 G HN 0.649 nan 8.290 nan 0.000 0.545 104 N N 1.966 120.651 118.700 -0.025 0.000 2.235 104 N HA 0.183 5.147 4.740 0.374 0.000 0.209 104 N C 0.202 175.648 175.510 -0.106 0.000 1.122 104 N CA 0.521 53.531 53.050 -0.067 0.000 0.845 104 N CB 0.518 38.956 38.487 -0.083 0.000 1.004 104 N HN 0.522 nan 8.380 nan 0.000 0.499 105 K N 0.429 120.787 120.400 -0.071 0.000 2.164 105 K HA 0.470 5.014 4.320 0.374 0.000 0.258 105 K C -0.511 176.011 176.600 -0.130 0.000 0.951 105 K CA -0.511 55.668 56.287 -0.181 0.000 0.844 105 K CB 2.096 34.434 32.500 -0.270 0.000 1.099 105 K HN -0.126 nan 8.250 nan 0.000 0.435 106 L N 3.826 124.904 121.223 -0.242 0.000 2.265 106 L HA 0.358 4.922 4.340 0.374 0.000 0.289 106 L C -1.065 175.747 176.870 -0.097 0.000 1.033 106 L CA -0.660 54.150 54.840 -0.051 0.000 0.814 106 L CB 0.367 42.422 42.059 -0.007 0.000 1.203 106 L HN 0.507 nan 8.230 nan 0.000 0.423 107 Y N 3.082 123.501 120.300 0.199 0.000 2.353 107 Y HA 0.461 5.235 4.550 0.374 0.000 0.340 107 Y C -0.055 176.064 175.900 0.363 0.000 0.972 107 Y CA -0.804 57.467 58.100 0.285 0.000 1.157 107 Y CB 1.385 40.025 38.460 0.300 0.000 1.157 107 Y HN 0.167 nan 8.280 nan 0.000 0.495 108 V N 5.850 126.024 119.914 0.434 0.000 2.350 108 V HA 0.277 4.622 4.120 0.374 0.000 0.285 108 V C -0.671 175.514 176.094 0.152 0.000 1.014 108 V CA -0.786 61.697 62.300 0.305 0.000 0.831 108 V CB 1.473 33.437 31.823 0.235 0.000 1.000 108 V HN 0.526 nan 8.190 nan 0.000 0.433 109 L N 7.822 129.049 121.223 0.007 0.000 2.275 109 L HA 0.834 5.398 4.340 0.374 0.000 0.288 109 L C -0.295 176.418 176.870 -0.262 0.000 1.046 109 L CA 0.104 54.783 54.840 -0.269 0.000 0.805 109 L CB 1.474 43.057 42.059 -0.794 0.000 1.193 109 L HN 0.601 nan 8.230 nan 0.000 0.426 110 V N 2.035 121.784 119.914 -0.275 0.000 2.971 110 V HA 0.919 5.263 4.120 0.374 0.000 0.309 110 V C 0.246 176.118 176.094 -0.371 0.000 1.130 110 V CA -0.334 61.802 62.300 -0.274 0.000 0.964 110 V CB 1.058 32.767 31.823 -0.190 0.000 1.029 110 V HN 0.871 nan 8.190 nan 0.000 0.427 111 G N 0.845 109.426 108.800 -0.366 0.000 2.539 111 G HA2 0.508 4.692 3.960 0.374 0.000 0.258 111 G HA3 0.508 4.692 3.960 0.374 0.000 0.258 111 G C -0.307 174.358 174.900 -0.392 0.000 1.202 111 G CA -0.029 44.802 45.100 -0.448 0.000 0.851 111 G HN 1.247 nan 8.290 nan 0.000 0.556 112 S N -0.043 115.276 115.700 -0.635 0.000 2.672 112 S HA 0.611 5.306 4.470 0.374 0.000 0.291 112 S C -1.538 172.683 174.600 -0.633 0.000 1.145 112 S CA -0.588 57.340 58.200 -0.455 0.000 1.013 112 S CB 0.435 63.403 63.200 -0.388 0.000 1.017 112 S HN 0.429 nan 8.310 nan 0.000 0.487 113 Y N 3.282 123.542 120.300 -0.068 0.000 2.446 113 Y HA 0.496 5.270 4.550 0.372 0.000 0.345 113 Y C 1.198 177.103 175.900 0.009 0.000 0.984 113 Y CA -0.862 57.246 58.100 0.015 0.000 1.058 113 Y CB 1.626 40.122 38.460 0.059 0.000 1.220 113 Y HN 0.569 nan 8.280 nan 0.000 0.455 114 N N -0.202 118.595 118.700 0.160 0.000 2.508 114 N HA 0.024 4.989 4.740 0.374 0.000 0.186 114 N C 0.602 176.171 175.510 0.100 0.000 1.034 114 N CA 0.839 53.944 53.050 0.091 0.000 0.885 114 N CB 0.371 38.887 38.487 0.048 0.000 1.135 114 N HN 0.486 nan 8.380 nan 0.000 0.435 115 S N -0.346 115.425 115.700 0.117 0.000 2.648 115 S HA 0.085 4.779 4.470 0.374 0.000 0.270 115 S C 0.166 174.816 174.600 0.083 0.000 1.080 115 S CA -0.448 57.802 58.200 0.084 0.000 1.159 115 S CB 0.516 63.749 63.200 0.056 0.000 1.091 115 S HN 0.335 nan 8.310 nan 0.000 0.605 116 S N 1.628 117.393 115.700 0.109 0.000 2.558 116 S HA 0.275 4.970 4.470 0.374 0.000 0.288 116 S C 0.466 175.119 174.600 0.088 0.000 1.318 116 S CA -0.161 58.081 58.200 0.070 0.000 1.056 116 S CB 0.743 63.986 63.200 0.072 0.000 0.853 116 S HN 0.152 nan 8.310 nan 0.000 0.505 117 R N 0.972 121.521 120.500 0.083 0.000 2.362 117 R HA 0.245 4.809 4.340 0.374 0.000 0.227 117 R C 0.464 176.873 176.300 0.181 0.000 0.905 117 R CA 0.307 56.486 56.100 0.132 0.000 1.067 117 R CB 0.314 30.674 30.300 0.100 0.000 1.078 117 R HN 0.848 nan 8.270 nan 0.000 0.516 118 S N -1.524 114.276 115.700 0.166 0.000 2.578 118 S HA 0.297 4.992 4.470 0.374 0.000 0.301 118 S C -0.624 174.130 174.600 0.258 0.000 1.091 118 S CA -0.833 57.496 58.200 0.215 0.000 1.032 118 S CB 1.121 64.435 63.200 0.190 0.000 1.064 118 S HN 0.138 nan 8.310 nan 0.000 0.508 119 Y N 4.058 124.377 120.300 0.032 0.000 2.712 119 Y HA 0.065 4.841 4.550 0.376 0.000 0.333 119 Y C 1.638 177.415 175.900 -0.204 0.000 1.225 119 Y CA -0.403 57.648 58.100 -0.082 0.000 1.499 119 Y CB 0.425 38.823 38.460 -0.102 0.000 1.288 119 Y HN 0.894 nan 8.280 nan 0.000 0.575 120 W N 3.952 124.559 121.300 -1.155 0.000 2.308 120 W HA -0.299 4.582 4.660 0.370 0.000 0.301 120 W C 1.358 177.370 176.519 -0.844 0.000 1.220 120 W CA 2.436 58.999 57.345 -1.304 0.000 1.240 120 W CB -1.913 26.957 29.460 -0.984 0.000 1.142 120 W HN 0.606 nan 8.180 nan 0.000 0.521 121 T N -0.585 113.131 114.554 -1.396 0.000 3.072 121 T HA -0.073 4.502 4.350 0.374 0.000 0.266 121 T C 1.883 176.319 174.700 -0.440 0.000 1.127 121 T CA 1.476 62.936 62.100 -1.066 0.000 1.107 121 T CB -0.731 67.585 68.868 -0.920 0.000 0.910 121 T HN 0.306 nan 8.240 nan 0.000 0.513 122 S N -0.042 115.519 115.700 -0.232 0.000 2.548 122 S HA 0.093 4.787 4.470 0.374 0.000 0.215 122 S C 0.276 174.945 174.600 0.115 0.000 0.976 122 S CA -0.665 57.525 58.200 -0.016 0.000 0.908 122 S CB -0.611 62.635 63.200 0.077 0.000 0.781 122 S HN 0.567 nan 8.310 nan 0.000 0.519 123 H N 1.601 120.619 119.070 -0.087 0.000 2.886 123 H HA 0.431 5.209 4.556 0.371 0.000 0.329 123 H C 1.531 176.837 175.328 -0.037 0.000 1.044 123 H CA 0.075 56.105 56.048 -0.030 0.000 1.456 123 H CB 0.652 30.422 29.762 0.015 0.000 1.464 123 H HN 0.319 nan 8.280 nan 0.000 0.573 124 G N 2.093 110.944 108.800 0.085 0.000 2.650 124 G HA2 -0.041 4.143 3.960 0.374 0.000 0.214 124 G HA3 -0.041 4.143 3.960 0.374 0.000 0.214 124 G C -0.031 174.896 174.900 0.045 0.000 1.136 124 G CA 0.626 45.748 45.100 0.037 0.000 0.789 124 G HN 0.737 nan 8.290 nan 0.000 0.536 125 D N -2.828 117.619 120.400 0.079 0.000 2.752 125 D HA 0.568 5.432 4.640 0.374 0.000 0.313 125 D C 0.110 176.496 176.300 0.143 0.000 1.225 125 D CA -0.235 53.816 54.000 0.085 0.000 0.976 125 D CB 0.907 41.745 40.800 0.063 0.000 1.443 125 D HN -0.046 nan 8.370 nan 0.000 0.515 126 A N -0.637 122.274 122.820 0.151 0.000 2.594 126 A HA 0.256 4.801 4.320 0.374 0.000 0.287 126 A C 1.317 179.066 177.584 0.276 0.000 1.227 126 A CA -0.393 51.783 52.037 0.231 0.000 0.952 126 A CB -0.348 18.789 19.000 0.228 0.000 1.161 126 A HN 0.420 nan 8.150 nan 0.000 0.524 127 R N -0.286 120.326 120.500 0.186 0.000 2.189 127 R HA -0.089 4.476 4.340 0.374 0.000 0.223 127 R C 0.689 177.080 176.300 0.152 0.000 1.092 127 R CA 1.372 57.558 56.100 0.143 0.000 0.989 127 R CB 0.020 30.371 30.300 0.085 0.000 0.876 127 R HN 0.408 nan 8.270 nan 0.000 0.457 128 D N -1.088 119.441 120.400 0.215 0.000 2.340 128 D HA -0.017 4.847 4.640 0.374 0.000 0.217 128 D C -0.695 175.737 176.300 0.220 0.000 1.081 128 D CA -0.052 54.086 54.000 0.230 0.000 0.842 128 D CB 0.291 41.262 40.800 0.285 0.000 0.934 128 D HN 0.094 nan 8.370 nan 0.000 0.511 129 W N 0.514 121.772 121.300 -0.069 0.000 2.689 129 W HA 0.540 5.427 4.660 0.379 0.000 0.340 129 W C -1.144 175.185 176.519 -0.316 0.000 1.060 129 W CA -0.640 56.491 57.345 -0.357 0.000 1.218 129 W CB 1.328 30.659 29.460 -0.215 0.000 1.410 129 W HN -0.318 nan 8.180 nan 0.000 0.528 130 D N 3.230 122.827 120.400 -1.338 0.000 2.599 130 D HA 0.361 5.225 4.640 0.374 0.000 0.252 130 D C -2.042 173.293 176.300 -1.609 0.000 1.232 130 D CA -0.577 52.572 54.000 -1.418 0.000 0.819 130 D CB 2.237 42.619 40.800 -0.696 0.000 1.401 130 D HN 0.306 nan 8.370 nan 0.000 0.429 131 I N 2.105 121.924 120.570 -1.251 0.000 2.468 131 I HA 0.463 4.857 4.170 0.374 0.000 0.285 131 I C -1.637 174.140 176.117 -0.567 0.000 1.039 131 I CA -0.413 60.296 61.300 -0.985 0.000 1.074 131 I CB 0.910 38.200 38.000 -1.183 0.000 1.228 131 I HN 0.333 nan 8.210 nan 0.000 0.436 132 L N 6.976 127.935 121.223 -0.440 0.000 2.341 132 L HA 0.662 5.226 4.340 0.374 0.000 0.267 132 L C -1.286 175.483 176.870 -0.168 0.000 1.009 132 L CA -1.120 53.569 54.840 -0.252 0.000 0.819 132 L CB 2.023 43.953 42.059 -0.214 0.000 1.323 132 L HN 0.459 nan 8.230 nan 0.000 0.425 133 L N 2.068 123.265 121.223 -0.043 0.000 2.349 133 L HA 0.855 5.420 4.340 0.374 0.000 0.278 133 L C -0.581 176.364 176.870 0.125 0.000 0.996 133 L CA -0.158 54.724 54.840 0.069 0.000 0.825 133 L CB 1.537 43.699 42.059 0.171 0.000 1.243 133 L HN 0.729 nan 8.230 nan 0.000 0.412 134 A N 4.720 127.635 122.820 0.158 0.000 2.350 134 A HA 0.841 5.386 4.320 0.374 0.000 0.324 134 A C -1.350 176.385 177.584 0.251 0.000 1.118 134 A CA -0.572 51.586 52.037 0.201 0.000 0.783 134 A CB 1.621 20.740 19.000 0.198 0.000 1.236 134 A HN 0.475 nan 8.150 nan 0.000 0.457 135 V N 1.488 121.493 119.914 0.152 0.000 2.417 135 V HA 0.690 5.034 4.120 0.374 0.000 0.291 135 V C 0.722 176.706 176.094 -0.183 0.000 1.024 135 V CA -0.204 62.044 62.300 -0.088 0.000 0.861 135 V CB 1.671 33.369 31.823 -0.209 0.000 0.985 135 V HN 1.144 nan 8.190 nan 0.000 0.436 136 G N 2.440 110.931 108.800 -0.515 0.000 2.368 136 G HA2 0.609 4.793 3.960 0.374 0.000 0.320 136 G HA3 0.609 4.793 3.960 0.374 0.000 0.320 136 G C -0.856 173.618 174.900 -0.708 0.000 1.158 136 G CA -0.328 44.086 45.100 -1.142 0.000 0.912 136 G HN 0.659 nan 8.290 nan 0.000 0.456 137 E N 1.593 121.445 120.200 -0.580 0.000 2.081 137 E HA 0.401 4.975 4.350 0.374 0.000 0.276 137 E C -0.300 176.078 176.600 -0.370 0.000 0.950 137 E CA -0.349 55.828 56.400 -0.373 0.000 0.776 137 E CB 1.470 31.016 29.700 -0.255 0.000 1.094 137 E HN 0.199 nan 8.360 nan 0.000 0.402 138 V N 5.075 124.801 119.914 -0.312 0.000 2.385 138 V HA 0.350 4.694 4.120 0.374 0.000 0.269 138 V C 0.293 176.266 176.094 -0.201 0.000 1.043 138 V CA -0.314 61.818 62.300 -0.279 0.000 0.906 138 V CB 0.836 32.519 31.823 -0.233 0.000 0.995 138 V HN 0.833 nan 8.190 nan 0.000 0.467 139 T N 2.624 117.064 114.554 -0.190 0.000 2.930 139 T HA 0.726 5.300 4.350 0.374 0.000 0.290 139 T C -0.725 173.903 174.700 -0.120 0.000 1.052 139 T CA -1.068 60.953 62.100 -0.132 0.000 1.017 139 T CB 2.332 71.134 68.868 -0.110 0.000 1.137 139 T HN 0.497 nan 8.240 nan 0.000 0.511 140 K N 0.654 121.002 120.400 -0.086 0.000 2.427 140 K HA 0.653 5.197 4.320 0.374 0.000 0.252 140 K C -1.024 175.547 176.600 -0.049 0.000 0.931 140 K CA -0.768 55.478 56.287 -0.067 0.000 0.793 140 K CB 2.315 34.779 32.500 -0.061 0.000 1.211 140 K HN 0.673 nan 8.250 nan 0.000 0.426 141 S N 0.259 115.936 115.700 -0.037 0.000 2.536 141 S HA 0.308 5.003 4.470 0.374 0.000 0.298 141 S C 0.429 175.015 174.600 -0.023 0.000 1.083 141 S CA -0.549 57.635 58.200 -0.028 0.000 0.995 141 S CB 1.200 64.387 63.200 -0.022 0.000 1.058 141 S HN 0.670 nan 8.310 nan 0.000 0.488 142 T N 1.173 115.714 114.554 -0.021 0.000 3.145 142 T HA 0.493 5.068 4.350 0.374 0.000 0.255 142 T C 0.663 175.354 174.700 -0.014 0.000 1.039 142 T CA 0.122 62.211 62.100 -0.018 0.000 0.928 142 T CB -0.162 68.695 68.868 -0.018 0.000 1.029 142 T HN 0.832 nan 8.240 nan 0.000 0.554 143 A N 0.794 123.606 122.820 -0.013 0.000 2.540 143 A HA 0.506 5.050 4.320 0.374 0.000 0.239 143 A C 1.720 179.299 177.584 -0.009 0.000 1.061 143 A CA 0.378 52.409 52.037 -0.010 0.000 0.758 143 A CB -1.075 17.919 19.000 -0.009 0.000 0.991 143 A HN 1.555 nan 8.150 nan 0.000 0.502 144 G N 0.942 109.737 108.800 -0.008 0.000 2.148 144 G HA2 0.151 4.335 3.960 0.374 0.000 0.254 144 G HA3 0.151 4.335 3.960 0.374 0.000 0.254 144 G C 1.646 176.541 174.900 -0.009 0.000 0.981 144 G CA 0.933 46.029 45.100 -0.007 0.000 0.670 144 G HN 2.836 nan 8.290 nan 0.000 0.528 145 G N -0.627 108.167 108.800 -0.010 0.000 2.179 145 G HA2 -0.149 4.035 3.960 0.374 0.000 0.257 145 G HA3 -0.149 4.035 3.960 0.374 0.000 0.257 145 G C 0.300 175.192 174.900 -0.012 0.000 1.010 145 G CA 1.809 46.903 45.100 -0.011 0.000 0.736 145 G HN 1.905 nan 8.290 nan 0.000 0.513 146 K N -0.840 119.553 120.400 -0.013 0.000 2.350 146 K HA 0.804 5.348 4.320 0.374 0.000 0.241 146 K C -0.410 176.180 176.600 -0.016 0.000 0.994 146 K CA -1.472 54.806 56.287 -0.015 0.000 0.839 146 K CB 1.837 34.329 32.500 -0.013 0.000 1.244 146 K HN -0.063 nan 8.250 nan 0.000 0.443 147 I N 2.482 123.040 120.570 -0.020 0.000 2.312 147 I HA 0.173 4.568 4.170 0.374 0.000 0.291 147 I C -0.444 175.665 176.117 -0.014 0.000 1.031 147 I CA -0.131 61.156 61.300 -0.022 0.000 1.293 147 I CB 0.932 38.914 38.000 -0.030 0.000 1.403 147 I HN 0.687 nan 8.210 nan 0.000 0.484 148 T N 6.033 120.582 114.554 -0.008 0.000 2.807 148 T HA 0.698 5.272 4.350 0.374 0.000 0.279 148 T C 0.040 174.743 174.700 0.004 0.000 0.993 148 T CA -0.473 61.634 62.100 0.011 0.000 0.970 148 T CB 1.889 70.765 68.868 0.013 0.000 0.950 148 T HN 0.694 nan 8.240 nan 0.000 0.441 149 A N 2.280 125.122 122.820 0.037 0.000 2.311 149 A HA 0.898 5.442 4.320 0.374 0.000 0.334 149 A C -0.074 177.446 177.584 -0.107 0.000 1.139 149 A CA -0.717 51.286 52.037 -0.057 0.000 0.830 149 A CB 1.406 20.345 19.000 -0.101 0.000 1.234 149 A HN 0.709 nan 8.150 nan 0.000 0.483 150 S N 0.323 115.878 115.700 -0.241 0.000 2.546 150 S HA 0.708 5.403 4.470 0.374 0.000 0.274 150 S C -1.302 173.069 174.600 -0.382 0.000 1.121 150 S CA -0.558 57.492 58.200 -0.250 0.000 0.887 150 S CB 0.695 63.839 63.200 -0.092 0.000 1.094 150 S HN 0.578 nan 8.310 nan 0.000 0.474 151 I N 3.831 124.174 120.570 -0.378 0.000 2.439 151 I HA 0.432 4.827 4.170 0.374 0.000 0.285 151 I C -0.599 175.317 176.117 -0.335 0.000 1.021 151 I CA -0.934 60.106 61.300 -0.434 0.000 1.091 151 I CB 1.827 39.566 38.000 -0.436 0.000 1.242 151 I HN 0.372 nan 8.210 nan 0.000 0.439 152 K N 6.859 127.023 120.400 -0.394 0.000 2.281 152 K HA 0.272 4.816 4.320 0.374 0.000 0.272 152 K C -1.459 174.929 176.600 -0.353 0.000 1.048 152 K CA -0.546 55.599 56.287 -0.236 0.000 0.898 152 K CB 0.535 32.949 32.500 -0.143 0.000 1.128 152 K HN 0.397 nan 8.250 nan 0.000 0.460 153 W N 3.203 124.496 121.300 -0.011 0.000 2.437 153 W HA 0.331 5.215 4.660 0.373 0.000 0.312 153 W C 1.258 177.770 176.519 -0.011 0.000 1.242 153 W CA -0.490 56.850 57.345 -0.009 0.000 1.340 153 W CB 0.908 30.375 29.460 0.013 0.000 1.327 153 W HN 0.692 nan 8.180 nan 0.000 0.476 154 G N 1.889 110.779 108.800 0.150 0.000 2.634 154 G HA2 0.300 4.485 3.960 0.374 0.000 0.255 154 G HA3 0.300 4.485 3.960 0.374 0.000 0.255 154 G C -0.174 174.802 174.900 0.127 0.000 1.205 154 G CA -0.794 44.365 45.100 0.098 0.000 0.884 154 G HN 0.417 nan 8.290 nan 0.000 0.549 155 S N 1.084 116.832 115.700 0.080 0.000 2.564 155 S HA 0.370 5.064 4.470 0.374 0.000 0.278 155 S C -2.242 172.396 174.600 0.063 0.000 1.333 155 S CA -0.814 57.423 58.200 0.062 0.000 1.048 155 S CB 1.117 64.338 63.200 0.036 0.000 0.900 155 S HN 0.454 nan 8.310 nan 0.000 0.505 156 P HA 0.325 nan 4.420 nan 0.000 0.271 156 P C -1.080 176.233 177.300 0.022 0.000 1.218 156 P CA -0.433 62.685 63.100 0.031 0.000 0.780 156 P CB 0.397 32.086 31.700 -0.019 0.000 0.901 157 V N 1.425 121.363 119.914 0.040 0.000 2.555 157 V HA 0.343 4.687 4.120 0.374 0.000 0.302 157 V C 0.347 176.447 176.094 0.010 0.000 1.038 157 V CA -0.622 61.705 62.300 0.045 0.000 0.887 157 V CB 1.835 33.727 31.823 0.114 0.000 0.991 157 V HN 0.592 nan 8.190 nan 0.000 0.434 158 S N 3.531 119.214 115.700 -0.028 0.000 2.548 158 S HA 0.406 5.101 4.470 0.374 0.000 0.277 158 S C 0.570 175.171 174.600 0.002 0.000 1.315 158 S CA -0.447 57.700 58.200 -0.088 0.000 1.050 158 S CB 0.344 63.462 63.200 -0.137 0.000 0.918 158 S HN 0.620 nan 8.310 nan 0.000 0.497 159 L N 4.690 125.920 121.223 0.011 0.000 2.728 159 L HA 0.248 4.812 4.340 0.374 0.000 0.238 159 L C 2.148 179.142 176.870 0.206 0.000 1.143 159 L CA -0.019 54.977 54.840 0.260 0.000 0.937 159 L CB -0.257 41.998 42.059 0.326 0.000 1.225 159 L HN 0.727 nan 8.230 nan 0.000 0.507 160 K N 1.854 122.250 120.400 -0.007 0.000 2.160 160 K HA -0.231 4.313 4.320 0.374 0.000 0.206 160 K C 1.870 178.551 176.600 0.136 0.000 1.047 160 K CA 2.014 58.334 56.287 0.055 0.000 0.930 160 K CB 0.113 32.562 32.500 -0.087 0.000 0.720 160 K HN 0.532 nan 8.250 nan 0.000 0.450 161 E N -0.464 119.673 120.200 -0.105 0.000 2.267 161 E HA -0.202 4.373 4.350 0.374 0.000 0.197 161 E C 1.028 177.521 176.600 -0.178 0.000 0.998 161 E CA 1.083 57.340 56.400 -0.238 0.000 0.830 161 E CB -0.353 29.048 29.700 -0.498 0.000 0.751 161 E HN 0.445 nan 8.360 nan 0.000 0.491 162 F N -0.049 120.126 119.950 0.375 0.000 2.732 162 F HA 0.211 4.961 4.527 0.371 0.000 0.303 162 F C 0.419 176.568 175.800 0.581 0.000 1.110 162 F CA -0.663 57.608 58.000 0.452 0.000 1.355 162 F CB 0.329 39.649 39.000 0.533 0.000 1.081 162 F HN -0.048 nan 8.300 nan 0.000 0.565 163 F N 4.724 124.941 119.950 0.444 0.000 2.371 163 F HA 0.408 5.179 4.527 0.407 0.000 0.363 163 F C -2.105 173.783 175.800 0.147 0.000 1.122 163 F CA -4.343 53.837 58.000 0.301 0.000 1.129 163 F CB 0.117 39.377 39.000 0.433 0.000 1.173 163 F HN -0.198 nan 8.300 nan 0.000 0.489 164 P HA 0.225 nan 4.420 nan 0.000 0.275 164 P C -0.084 176.975 177.300 -0.403 0.000 1.228 164 P CA -0.230 62.764 63.100 -0.176 0.000 0.786 164 P CB 1.205 32.810 31.700 -0.159 0.000 0.927 165 A N 2.318 125.001 122.820 -0.229 0.000 2.066 165 A HA -0.064 4.481 4.320 0.374 0.000 0.218 165 A C 0.774 178.185 177.584 -0.288 0.000 1.157 165 A CA 1.152 53.058 52.037 -0.218 0.000 0.670 165 A CB -0.389 18.563 19.000 -0.080 0.000 0.804 165 A HN 0.679 nan 8.150 nan 0.000 0.453 166 E N -1.154 118.867 120.200 -0.299 0.000 2.293 166 E HA 0.654 5.229 4.350 0.374 0.000 0.270 166 E C -1.323 175.121 176.600 -0.261 0.000 0.879 166 E CA -0.401 55.801 56.400 -0.330 0.000 0.756 166 E CB 1.881 31.370 29.700 -0.351 0.000 1.208 166 E HN 0.312 nan 8.360 nan 0.000 0.428 167 M N 1.459 120.922 119.600 -0.228 0.000 2.457 167 M HA 0.226 4.930 4.480 0.374 0.000 0.300 167 M C -0.816 175.394 176.300 -0.150 0.000 1.141 167 M CA -0.852 54.344 55.300 -0.173 0.000 0.901 167 M CB 2.120 34.626 32.600 -0.156 0.000 1.687 167 M HN 0.352 nan 8.290 nan 0.000 0.449 168 E N 2.183 122.307 120.200 -0.125 0.000 1.456 168 E HA -0.168 4.407 4.350 0.374 0.000 0.167 168 E C 0.788 177.329 176.600 -0.099 0.000 1.030 168 E CA 1.665 58.000 56.400 -0.108 0.000 0.494 168 E CB -1.386 28.238 29.700 -0.127 0.000 1.038 168 E HN 0.984 nan 8.360 nan 0.000 0.257 169 G N -0.771 107.970 108.800 -0.098 0.000 3.700 169 G HA2 -0.320 3.864 3.960 0.374 0.000 0.211 169 G HA3 -0.320 3.864 3.960 0.374 0.000 0.211 169 G C 0.428 175.267 174.900 -0.102 0.000 1.777 169 G CA -0.278 44.778 45.100 -0.074 0.000 1.460 169 G HN 0.320 nan 8.290 nan 0.000 0.615 170 M N 1.613 121.178 119.600 -0.057 0.000 2.233 170 M HA 0.314 5.018 4.480 0.374 0.000 0.307 170 M C 0.148 176.398 176.300 -0.083 0.000 1.026 170 M CA 0.739 56.043 55.300 0.008 0.000 1.109 170 M CB -0.079 32.534 32.600 0.021 0.000 1.463 170 M HN 0.470 nan 8.290 nan 0.000 0.436 171 H N 0.031 119.078 119.070 -0.040 0.000 2.519 171 H HA 0.296 4.834 4.556 -0.030 0.000 0.316 171 H C -0.095 175.195 175.328 -0.064 0.000 1.065 171 H CA -0.435 55.575 56.048 -0.063 0.000 1.264 171 H CB 0.746 30.480 29.762 -0.047 0.000 1.413 171 H HN 0.591 nan 8.280 nan 0.000 0.465 172 T N -0.005 114.494 114.554 -0.092 0.000 2.900 172 T HA 0.007 4.582 4.350 0.374 0.000 0.307 172 T C 0.974 175.653 174.700 -0.034 0.000 1.065 172 T CA -0.438 61.564 62.100 -0.163 0.000 1.105 172 T CB 1.289 69.697 68.868 -0.768 0.000 0.979 172 T HN 0.609 nan 8.240 nan 0.000 0.544 173 N N 0.805 119.546 118.700 0.069 0.000 2.820 173 N HA 0.161 5.126 4.740 0.374 0.000 0.236 173 N C -0.079 175.400 175.510 -0.053 0.000 1.023 173 N CA 0.299 53.376 53.050 0.045 0.000 1.062 173 N CB 0.726 39.209 38.487 -0.006 0.000 1.582 173 N HN 0.800 nan 8.380 nan 0.000 0.485 174 Q N -1.408 118.299 119.800 -0.154 0.000 2.626 174 Q HA 0.451 5.016 4.340 0.374 0.000 0.300 174 Q C -1.658 174.192 176.000 -0.251 0.000 0.988 174 Q CA -0.953 54.281 55.803 -0.949 0.000 0.761 174 Q CB 2.818 30.917 28.738 -1.065 0.000 1.494 174 Q HN 0.261 nan 8.270 nan 0.000 0.439 175 F N -1.198 118.408 119.950 -0.574 0.000 2.693 175 F HA 0.814 5.564 4.527 0.373 0.000 0.309 175 F C -2.315 173.314 175.800 -0.285 0.000 1.129 175 F CA -0.975 56.854 58.000 -0.284 0.000 0.948 175 F CB 1.319 40.153 39.000 -0.278 0.000 1.315 175 F HN 0.405 nan 8.300 nan 0.000 0.447 176 L N 1.776 122.708 121.223 -0.485 0.000 2.469 176 L HA 0.729 5.293 4.340 0.374 0.000 0.256 176 L C 0.393 177.094 176.870 -0.281 0.000 1.006 176 L CA -1.216 53.280 54.840 -0.574 0.000 0.832 176 L CB 2.116 43.722 42.059 -0.755 0.000 1.421 176 L HN 1.079 nan 8.230 nan 0.000 0.410 177 G N -0.344 108.279 108.800 -0.295 0.000 2.699 177 G HA2 0.298 4.482 3.960 0.374 0.000 0.246 177 G HA3 0.298 4.482 3.960 0.374 0.000 0.246 177 G C 0.883 175.758 174.900 -0.041 0.000 1.219 177 G CA 0.264 45.280 45.100 -0.140 0.000 0.866 177 G HN 0.879 nan 8.290 nan 0.000 0.572 178 G N -0.978 107.866 108.800 0.074 0.000 2.920 178 G HA2 0.526 4.710 3.960 0.374 0.000 0.208 178 G HA3 0.526 4.710 3.960 0.374 0.000 0.208 178 G C 0.859 175.799 174.900 0.066 0.000 1.159 178 G CA 1.229 46.390 45.100 0.102 0.000 0.784 178 G HN 2.139 nan 8.290 nan 0.000 0.535 179 A N -2.538 120.311 122.820 0.049 0.000 2.697 179 A HA 0.456 5.001 4.320 0.374 0.000 0.677 179 A C 1.450 179.083 177.584 0.082 0.000 0.304 179 A CA 0.671 52.733 52.037 0.041 0.000 0.117 179 A CB -1.107 17.899 19.000 0.010 0.000 3.916 179 A HN 2.396 nan 8.150 nan 0.000 0.544 180 G N -1.834 107.014 108.800 0.079 0.000 2.556 180 G HA2 0.200 4.384 3.960 0.374 0.000 0.283 180 G HA3 0.200 4.384 3.960 0.374 0.000 0.283 180 G C 0.358 175.351 174.900 0.154 0.000 1.177 180 G CA 0.752 45.913 45.100 0.103 0.000 0.978 180 G HN 2.369 nan 8.290 nan 0.000 0.554 181 V N 1.187 121.200 119.914 0.165 0.000 2.487 181 V HA 0.762 5.106 4.120 0.374 0.000 0.298 181 V C 0.883 177.088 176.094 0.184 0.000 1.028 181 V CA 0.300 62.708 62.300 0.180 0.000 0.860 181 V CB 0.739 32.660 31.823 0.163 0.000 0.991 181 V HN 1.794 nan 8.190 nan 0.000 0.427 182 A N 5.620 128.551 122.820 0.185 0.000 3.068 182 A HA 1.008 5.552 4.320 0.374 0.000 0.229 182 A C -0.285 177.333 177.584 0.058 0.000 1.561 182 A CA -0.553 51.564 52.037 0.133 0.000 0.876 182 A CB 1.009 20.089 19.000 0.134 0.000 1.700 182 A HN 1.050 nan 8.150 nan 0.000 0.535 183 I N -3.499 117.068 120.570 -0.004 0.000 3.174 183 I HA 0.742 5.136 4.170 0.374 0.000 0.313 183 I C -1.317 174.760 176.117 -0.067 0.000 1.155 183 I CA -1.133 60.160 61.300 -0.012 0.000 0.977 183 I CB 2.002 40.012 38.000 0.016 0.000 1.248 183 I HN 0.257 nan 8.210 nan 0.000 0.453 184 V N 3.006 122.890 119.914 -0.049 0.000 2.394 184 V HA 0.689 5.033 4.120 0.374 0.000 0.282 184 V C 0.771 176.831 176.094 -0.056 0.000 1.031 184 V CA -0.309 61.945 62.300 -0.076 0.000 0.881 184 V CB 1.140 32.928 31.823 -0.059 0.000 0.982 184 V HN 0.938 nan 8.190 nan 0.000 0.451 185 A N 3.639 126.415 122.820 -0.072 0.000 2.313 185 A HA 0.462 5.006 4.320 0.374 0.000 0.261 185 A C 1.545 179.092 177.584 -0.062 0.000 1.090 185 A CA 0.297 52.296 52.037 -0.064 0.000 0.807 185 A CB 0.403 19.353 19.000 -0.083 0.000 1.055 185 A HN 1.189 nan 8.150 nan 0.000 0.492 186 S N 0.696 116.363 115.700 -0.055 0.000 2.420 186 S HA -0.230 4.465 4.470 0.374 0.000 0.237 186 S C 1.077 175.641 174.600 -0.059 0.000 1.023 186 S CA 1.599 59.768 58.200 -0.053 0.000 0.991 186 S CB -0.631 62.537 63.200 -0.054 0.000 0.792 186 S HN 0.951 nan 8.310 nan 0.000 0.488 187 N N 1.168 119.826 118.700 -0.070 0.000 2.383 187 N HA 0.264 5.228 4.740 0.374 0.000 0.192 187 N C 1.205 176.668 175.510 -0.077 0.000 1.141 187 N CA 0.666 53.673 53.050 -0.072 0.000 0.851 187 N CB -0.342 38.097 38.487 -0.080 0.000 0.976 187 N HN 0.617 nan 8.380 nan 0.000 0.465 188 G N -0.520 108.231 108.800 -0.081 0.000 2.217 188 G HA2 -0.288 3.896 3.960 0.374 0.000 0.246 188 G HA3 -0.288 3.896 3.960 0.374 0.000 0.246 188 G C -0.312 174.513 174.900 -0.126 0.000 0.990 188 G CA -0.135 44.910 45.100 -0.092 0.000 0.627 188 G HN 0.470 nan 8.290 nan 0.000 0.522 189 N N 0.891 119.515 118.700 -0.127 0.000 2.492 189 N HA 0.407 5.372 4.740 0.374 0.000 0.262 189 N C 0.736 176.138 175.510 -0.179 0.000 1.202 189 N CA 0.139 53.098 53.050 -0.151 0.000 0.926 189 N CB 0.525 38.945 38.487 -0.110 0.000 1.078 189 N HN 0.411 nan 8.380 nan 0.000 0.454 190 L N 1.559 122.615 121.223 -0.278 0.000 2.331 190 L HA 0.330 4.894 4.340 0.374 0.000 0.278 190 L C -0.218 176.577 176.870 -0.124 0.000 1.106 190 L CA -0.613 54.056 54.840 -0.285 0.000 0.824 190 L CB 0.575 42.370 42.059 -0.440 0.000 1.142 190 L HN 0.085 nan 8.230 nan 0.000 0.443 191 V N 4.033 123.896 119.914 -0.084 0.000 2.409 191 V HA 0.336 4.680 4.120 0.374 0.000 0.290 191 V C -0.815 175.315 176.094 0.061 0.000 1.017 191 V CA -0.577 61.763 62.300 0.067 0.000 0.841 191 V CB 1.208 33.053 31.823 0.036 0.000 1.003 191 V HN 0.437 nan 8.190 nan 0.000 0.426 192 Y N 6.216 126.711 120.300 0.325 0.000 2.331 192 Y HA 0.493 5.268 4.550 0.374 0.000 0.338 192 Y C -2.140 173.937 175.900 0.295 0.000 0.992 192 Y CA -2.700 55.573 58.100 0.289 0.000 1.121 192 Y CB 2.443 41.084 38.460 0.302 0.000 1.184 192 Y HN 0.432 nan 8.280 nan 0.000 0.469 193 P HA 0.135 nan 4.420 nan 0.000 0.281 193 P C -0.917 176.595 177.300 0.354 0.000 1.252 193 P CA -0.141 63.181 63.100 0.371 0.000 0.778 193 P CB 1.318 33.207 31.700 0.315 0.000 0.895 194 V N 1.177 121.300 119.914 0.349 0.000 2.960 194 V HA 0.662 5.006 4.120 0.374 0.000 0.315 194 V C -0.499 175.752 176.094 0.262 0.000 1.087 194 V CA -1.155 61.312 62.300 0.277 0.000 0.982 194 V CB 1.757 33.744 31.823 0.273 0.000 1.039 194 V HN 0.561 nan 8.190 nan 0.000 0.437 195 Q N 1.564 121.493 119.800 0.216 0.000 2.316 195 Q HA 0.854 5.418 4.340 0.374 0.000 0.264 195 Q C -1.311 174.847 176.000 0.263 0.000 0.987 195 Q CA -0.817 55.121 55.803 0.225 0.000 0.852 195 Q CB 2.147 31.065 28.738 0.299 0.000 1.287 195 Q HN 0.638 nan 8.270 nan 0.000 0.448 196 V N 1.310 121.215 119.914 -0.015 0.000 2.823 196 V HA 0.612 4.956 4.120 0.374 0.000 0.312 196 V C -0.085 175.746 176.094 -0.437 0.000 1.072 196 V CA -0.793 61.418 62.300 -0.148 0.000 0.937 196 V CB 1.980 33.509 31.823 -0.490 0.000 1.013 196 V HN 1.001 nan 8.190 nan 0.000 0.430 197 T N 0.373 114.848 114.554 -0.132 0.000 2.888 197 T HA 0.672 5.247 4.350 0.374 0.000 0.284 197 T C -0.421 174.300 174.700 0.035 0.000 1.017 197 T CA -0.815 61.186 62.100 -0.165 0.000 1.022 197 T CB 1.797 70.514 68.868 -0.250 0.000 1.013 197 T HN 0.807 nan 8.240 nan 0.000 0.465 198 N N 0.791 119.581 118.700 0.151 0.000 2.671 198 N HA 0.405 5.370 4.740 0.374 0.000 0.303 198 N C 0.541 176.085 175.510 0.058 0.000 1.277 198 N CA -1.224 51.927 53.050 0.169 0.000 0.933 198 N CB 0.574 39.210 38.487 0.249 0.000 1.190 198 N HN 0.305 nan 8.380 nan 0.000 0.600 199 K N -0.134 120.295 120.400 0.049 0.000 2.486 199 K HA 0.068 4.612 4.320 0.374 0.000 0.194 199 K C 0.380 176.966 176.600 -0.023 0.000 1.033 199 K CA 0.581 56.872 56.287 0.007 0.000 1.004 199 K CB -0.131 32.366 32.500 -0.004 0.000 0.798 199 K HN 0.586 nan 8.250 nan 0.000 0.495 200 K N 0.486 120.868 120.400 -0.031 0.000 2.444 200 K HA 0.063 4.607 4.320 0.374 0.000 0.193 200 K C -0.023 176.531 176.600 -0.076 0.000 1.024 200 K CA 0.011 56.257 56.287 -0.069 0.000 1.077 200 K CB 0.219 32.651 32.500 -0.113 0.000 0.833 200 K HN -0.001 nan 8.250 nan 0.000 0.517 201 K N 0.586 120.948 120.400 -0.063 0.000 3.281 201 K HA -0.218 4.327 4.320 0.374 0.000 0.295 201 K C -0.621 175.923 176.600 -0.094 0.000 1.233 201 K CA 0.628 56.858 56.287 -0.095 0.000 0.866 201 K CB -1.482 30.965 32.500 -0.089 0.000 1.265 201 K HN 0.331 nan 8.250 nan 0.000 0.482 202 Q N 0.429 120.193 119.800 -0.061 0.000 2.354 202 Q HA 0.452 5.016 4.340 0.374 0.000 0.244 202 Q C -0.174 175.892 176.000 0.110 0.000 0.969 202 Q CA -0.305 55.490 55.803 -0.013 0.000 0.885 202 Q CB 1.901 30.510 28.738 -0.215 0.000 1.241 202 Q HN 0.128 nan 8.270 nan 0.000 0.461 203 V N 3.097 123.105 119.914 0.156 0.000 2.769 203 V HA 0.799 5.143 4.120 0.374 0.000 0.312 203 V C -1.389 174.913 176.094 0.347 0.000 1.058 203 V CA -0.371 61.977 62.300 0.080 0.000 0.952 203 V CB 0.987 32.799 31.823 -0.018 0.000 1.019 203 V HN 0.712 nan 8.190 nan 0.000 0.445 204 F N 1.835 121.885 119.950 0.168 0.000 2.741 204 F HA 0.769 5.515 4.527 0.365 0.000 0.311 204 F C -0.700 175.144 175.800 0.073 0.000 1.149 204 F CA -0.873 57.168 58.000 0.068 0.000 0.930 204 F CB 1.115 40.075 39.000 -0.066 0.000 1.312 204 F HN 0.292 nan 8.300 nan 0.000 0.450 205 S N 1.514 117.320 115.700 0.177 0.000 2.549 205 S HA 0.749 5.443 4.470 0.374 0.000 0.297 205 S C -0.797 173.902 174.600 0.165 0.000 1.115 205 S CA -0.977 57.339 58.200 0.193 0.000 1.059 205 S CB 1.703 65.078 63.200 0.291 0.000 1.046 205 S HN 0.528 nan 8.310 nan 0.000 0.506 206 K N 0.829 121.473 120.400 0.406 0.000 2.283 206 K HA 0.538 5.082 4.320 0.374 0.000 0.257 206 K C -1.167 175.861 176.600 0.713 0.000 1.066 206 K CA -0.891 55.760 56.287 0.606 0.000 0.891 206 K CB 0.931 33.786 32.500 0.592 0.000 1.438 206 K HN 0.345 nan 8.250 nan 0.000 0.464 207 I N 1.545 122.541 120.570 0.710 0.000 2.359 207 I HA 0.351 4.746 4.170 0.374 0.000 0.294 207 I C -0.497 175.890 176.117 0.450 0.000 0.987 207 I CA -0.413 61.188 61.300 0.502 0.000 1.225 207 I CB 0.362 38.594 38.000 0.386 0.000 1.366 207 I HN 0.484 nan 8.210 nan 0.000 0.466 208 F N 9.030 129.079 119.950 0.164 0.000 2.499 208 F HA 0.546 5.297 4.527 0.374 0.000 0.333 208 F C -1.098 174.915 175.800 0.354 0.000 1.138 208 F CA -0.672 57.277 58.000 -0.085 0.000 0.945 208 F CB 1.089 39.912 39.000 -0.295 0.000 1.181 208 F HN 0.456 nan 8.300 nan 0.000 0.435 209 Y N 2.564 122.870 120.300 0.010 0.000 2.588 209 Y HA 0.736 5.511 4.550 0.374 0.000 0.343 209 Y C -1.488 174.149 175.900 -0.440 0.000 1.065 209 Y CA -1.359 56.705 58.100 -0.060 0.000 1.038 209 Y CB 1.599 40.022 38.460 -0.061 0.000 1.297 209 Y HN 0.394 nan 8.280 nan 0.000 0.467 210 S N 0.889 116.166 115.700 -0.705 0.000 2.547 210 S HA 0.398 5.093 4.470 0.374 0.000 0.281 210 S C -0.568 173.713 174.600 -0.531 0.000 1.118 210 S CA -0.634 56.931 58.200 -1.058 0.000 0.947 210 S CB 1.454 63.386 63.200 -2.114 0.000 1.053 210 S HN 0.873 nan 8.310 nan 0.000 0.482 211 E N 1.712 121.682 120.200 -0.382 0.000 2.481 211 E HA 0.086 4.661 4.350 0.374 0.000 0.198 211 E C -0.652 175.806 176.600 -0.236 0.000 1.027 211 E CA 0.142 56.414 56.400 -0.212 0.000 0.900 211 E CB 0.245 29.886 29.700 -0.098 0.000 0.993 211 E HN 0.731 nan 8.360 nan 0.000 0.482 212 D N 0.306 120.513 120.400 -0.322 0.000 2.963 212 D HA 0.053 4.917 4.640 0.374 0.000 0.361 212 D C -0.422 175.736 176.300 -0.236 0.000 1.317 212 D CA -0.447 53.414 54.000 -0.231 0.000 0.832 212 D CB 0.093 40.778 40.800 -0.191 0.000 1.135 212 D HN -0.205 nan 8.370 nan 0.000 0.476 213 E N -0.035 120.005 120.200 -0.267 0.000 2.637 213 E HA -0.202 4.372 4.350 0.374 0.000 0.265 213 E C 1.188 177.655 176.600 -0.222 0.000 1.073 213 E CA 1.022 57.293 56.400 -0.215 0.000 0.778 213 E CB -2.065 27.613 29.700 -0.036 0.000 1.362 213 E HN 0.916 nan 8.360 nan 0.000 0.413 214 G N -0.421 108.083 108.800 -0.493 0.000 2.159 214 G HA2 -0.398 3.786 3.960 0.374 0.000 0.256 214 G HA3 -0.398 3.786 3.960 0.374 0.000 0.256 214 G C 0.999 175.836 174.900 -0.105 0.000 0.977 214 G CA 0.707 45.560 45.100 -0.411 0.000 0.652 214 G HN 0.251 nan 8.290 nan 0.000 0.531 215 K N 0.334 120.632 120.400 -0.170 0.000 2.103 215 K HA 0.061 4.606 4.320 0.374 0.000 0.204 215 K C 1.565 178.128 176.600 -0.062 0.000 1.052 215 K CA 1.775 58.063 56.287 0.001 0.000 0.945 215 K CB -0.362 32.140 32.500 0.004 0.000 0.722 215 K HN 0.866 nan 8.250 nan 0.000 0.443 216 T N -2.471 111.820 114.554 -0.438 0.000 2.907 216 T HA 0.584 5.158 4.350 0.374 0.000 0.292 216 T C -1.154 172.843 174.700 -1.171 0.000 1.043 216 T CA -0.927 60.704 62.100 -0.781 0.000 1.003 216 T CB 1.540 70.153 68.868 -0.425 0.000 1.084 216 T HN 0.113 nan 8.240 nan 0.000 0.483 217 W N 0.544 121.034 121.300 -1.351 0.000 2.936 217 W HA 0.693 5.576 4.660 0.372 0.000 0.338 217 W C -0.413 175.691 176.519 -0.692 0.000 1.121 217 W CA -0.808 55.919 57.345 -1.030 0.000 1.209 217 W CB 2.261 31.042 29.460 -1.133 0.000 1.420 217 W HN 0.704 nan 8.180 nan 0.000 0.516 218 K N 1.389 121.471 120.400 -0.530 0.000 2.443 218 K HA 0.669 5.213 4.320 0.374 0.000 0.251 218 K C -1.475 174.990 176.600 -0.226 0.000 0.972 218 K CA -1.048 55.056 56.287 -0.304 0.000 0.833 218 K CB 2.159 34.343 32.500 -0.526 0.000 1.317 218 K HN 0.145 nan 8.250 nan 0.000 0.441 219 F N 0.591 120.619 119.950 0.130 0.000 2.422 219 F HA 0.379 5.142 4.527 0.393 0.000 0.333 219 F C 1.198 177.198 175.800 0.334 0.000 1.095 219 F CA -0.249 57.923 58.000 0.287 0.000 1.038 219 F CB 1.533 40.684 39.000 0.253 0.000 1.156 219 F HN 0.615 nan 8.300 nan 0.000 0.483 220 G N 2.104 111.273 108.800 0.615 0.000 2.544 220 G HA2 0.136 4.320 3.960 0.374 0.000 0.242 220 G HA3 0.136 4.320 3.960 0.374 0.000 0.242 220 G C 0.543 175.682 174.900 0.398 0.000 1.247 220 G CA -0.483 44.921 45.100 0.506 0.000 0.840 220 G HN 0.765 nan 8.290 nan 0.000 0.578 221 K N 0.879 121.446 120.400 0.279 0.000 2.228 221 K HA 0.029 4.573 4.320 0.374 0.000 0.202 221 K C 1.678 178.326 176.600 0.080 0.000 1.051 221 K CA 0.570 56.953 56.287 0.160 0.000 0.960 221 K CB 0.169 32.735 32.500 0.111 0.000 0.743 221 K HN 0.494 nan 8.250 nan 0.000 0.458 222 G N 1.554 110.432 108.800 0.130 0.000 2.557 222 G HA2 0.395 4.579 3.960 0.374 0.000 0.292 222 G HA3 0.395 4.579 3.960 0.374 0.000 0.292 222 G C -0.532 174.032 174.900 -0.560 0.000 1.237 222 G CA -0.545 44.493 45.100 -0.104 0.000 0.978 222 G HN 0.267 nan 8.290 nan 0.000 0.498 223 R N -2.008 117.798 120.500 -1.156 0.000 2.716 223 R HA 0.584 5.148 4.340 0.374 0.000 0.271 223 R C -0.092 175.245 176.300 -1.606 0.000 1.028 223 R CA -0.460 54.779 56.100 -1.434 0.000 0.883 223 R CB 0.681 30.529 30.300 -0.754 0.000 1.250 223 R HN 0.716 nan 8.270 nan 0.000 0.465 224 S N 0.864 115.686 115.700 -1.465 0.000 2.633 224 S HA 0.580 5.275 4.470 0.374 0.000 0.257 224 S C 0.658 174.902 174.600 -0.593 0.000 1.265 224 S CA -0.372 57.188 58.200 -1.067 0.000 0.980 224 S CB 0.540 63.378 63.200 -0.604 0.000 1.017 224 S HN 0.861 nan 8.310 nan 0.000 0.577 225 A N -0.112 122.563 122.820 -0.241 0.000 2.366 225 A HA 0.514 5.058 4.320 0.374 0.000 0.249 225 A C -0.049 177.474 177.584 -0.103 0.000 1.084 225 A CA -0.691 51.241 52.037 -0.174 0.000 0.794 225 A CB -0.633 18.415 19.000 0.080 0.000 1.034 225 A HN 0.654 nan 8.150 nan 0.000 0.491 226 F N 0.432 120.415 119.950 0.054 0.000 2.607 226 F HA 0.351 5.097 4.527 0.366 0.000 0.374 226 F C 1.694 177.565 175.800 0.118 0.000 1.104 226 F CA 1.689 59.753 58.000 0.107 0.000 1.296 226 F CB 0.480 39.519 39.000 0.065 0.000 1.085 226 F HN 0.909 nan 8.300 nan 0.000 0.584 227 G N 1.022 110.023 108.800 0.335 0.000 2.179 227 G HA2 -0.250 3.934 3.960 0.374 0.000 0.220 227 G HA3 -0.250 3.934 3.960 0.374 0.000 0.220 227 G C -0.437 174.587 174.900 0.207 0.000 0.990 227 G CA -0.438 44.800 45.100 0.231 0.000 0.646 227 G HN 0.734 nan 8.290 nan 0.000 0.517 228 C N 3.019 122.452 119.300 0.222 0.000 2.281 228 C HA 0.760 5.444 4.460 0.374 0.000 0.336 228 C C 1.163 176.278 174.990 0.208 0.000 1.217 228 C CA 0.067 59.215 59.018 0.217 0.000 1.730 228 C CB -0.247 27.637 27.740 0.241 0.000 2.338 228 C HN 0.843 nan 8.230 nan 0.000 0.521 229 S N 1.409 117.229 115.700 0.201 0.000 2.786 229 S HA 0.550 5.244 4.470 0.374 0.000 0.307 229 S C -0.236 174.485 174.600 0.201 0.000 1.121 229 S CA -0.600 57.728 58.200 0.214 0.000 0.975 229 S CB 0.293 63.630 63.200 0.228 0.000 1.220 229 S HN 0.737 nan 8.310 nan 0.000 0.550 230 E N 1.407 121.726 120.200 0.198 0.000 2.038 230 E HA -0.134 4.441 4.350 0.374 0.000 0.181 230 E C -2.226 174.465 176.600 0.152 0.000 1.383 230 E CA 0.272 56.759 56.400 0.144 0.000 0.677 230 E CB -1.406 28.339 29.700 0.075 0.000 1.051 230 E HN 0.475 nan 8.360 nan 0.000 0.317 231 P HA 0.053 nan 4.420 nan 0.000 0.271 231 P C -0.432 177.001 177.300 0.221 0.000 1.216 231 P CA 0.101 63.342 63.100 0.235 0.000 0.776 231 P CB 1.436 33.319 31.700 0.306 0.000 0.881 232 V N 2.486 122.537 119.914 0.227 0.000 2.588 232 V HA 0.762 5.107 4.120 0.374 0.000 0.304 232 V C -0.830 175.481 176.094 0.362 0.000 1.042 232 V CA -0.696 61.766 62.300 0.270 0.000 0.877 232 V CB 1.520 33.497 31.823 0.257 0.000 0.996 232 V HN 0.822 nan 8.190 nan 0.000 0.425 233 A N 6.327 129.354 122.820 0.346 0.000 2.454 233 A HA 0.996 5.540 4.320 0.374 0.000 0.302 233 A C -1.286 176.432 177.584 0.223 0.000 1.079 233 A CA -0.601 51.632 52.037 0.327 0.000 0.731 233 A CB 1.823 20.948 19.000 0.209 0.000 1.299 233 A HN 1.585 nan 8.150 nan 0.000 0.413 234 L N -1.676 119.633 121.223 0.143 0.000 2.322 234 L HA 0.883 5.447 4.340 0.374 0.000 0.252 234 L C -0.452 176.453 176.870 0.059 0.000 1.055 234 L CA -0.665 54.185 54.840 0.016 0.000 0.849 234 L CB 1.498 43.435 42.059 -0.203 0.000 1.446 234 L HN 0.702 nan 8.230 nan 0.000 0.416 235 E N 0.528 120.769 120.200 0.067 0.000 2.158 235 E HA 0.330 4.904 4.350 0.374 0.000 0.271 235 E C -2.104 174.609 176.600 0.189 0.000 0.911 235 E CA -0.678 55.777 56.400 0.091 0.000 0.767 235 E CB 1.490 31.208 29.700 0.030 0.000 1.120 235 E HN 0.672 nan 8.360 nan 0.000 0.405 236 W N 5.664 126.943 121.300 -0.036 0.000 2.715 236 W HA 0.213 5.096 4.660 0.373 0.000 0.331 236 W C -0.861 175.645 176.519 -0.022 0.000 1.031 236 W CA -0.530 56.800 57.345 -0.026 0.000 1.237 236 W CB 1.011 30.461 29.460 -0.015 0.000 1.378 236 W HN 0.774 nan 8.180 nan 0.000 0.454 237 E N 3.491 123.443 120.200 -0.413 0.000 2.269 237 E HA -0.235 4.340 4.350 0.374 0.000 0.223 237 E C 1.010 177.542 176.600 -0.112 0.000 1.244 237 E CA 1.180 57.390 56.400 -0.318 0.000 0.713 237 E CB -1.280 28.187 29.700 -0.387 0.000 1.178 237 E HN 0.996 nan 8.360 nan 0.000 0.370 238 G N -0.127 108.624 108.800 -0.082 0.000 2.176 238 G HA2 -0.343 3.842 3.960 0.374 0.000 0.253 238 G HA3 -0.343 3.842 3.960 0.374 0.000 0.253 238 G C 0.081 174.968 174.900 -0.021 0.000 0.979 238 G CA 0.783 45.853 45.100 -0.050 0.000 0.641 238 G HN 0.310 nan 8.290 nan 0.000 0.530 239 K N -0.223 120.189 120.400 0.021 0.000 2.426 239 K HA 0.703 5.247 4.320 0.374 0.000 0.251 239 K C -0.072 176.548 176.600 0.033 0.000 0.941 239 K CA -1.072 55.227 56.287 0.020 0.000 0.808 239 K CB 2.206 34.732 32.500 0.043 0.000 1.265 239 K HN 0.093 nan 8.250 nan 0.000 0.432 240 L N 2.895 124.102 121.223 -0.027 0.000 2.416 240 L HA 0.331 4.895 4.340 0.374 0.000 0.272 240 L C -0.117 176.755 176.870 0.003 0.000 1.161 240 L CA -0.229 54.596 54.840 -0.024 0.000 0.845 240 L CB 0.205 42.203 42.059 -0.101 0.000 1.119 240 L HN 0.413 nan 8.230 nan 0.000 0.464 241 I N 4.381 125.004 120.570 0.088 0.000 2.382 241 I HA 0.315 4.710 4.170 0.374 0.000 0.286 241 I C -0.634 175.622 176.117 0.231 0.000 1.002 241 I CA -0.423 60.971 61.300 0.157 0.000 1.135 241 I CB 1.718 39.861 38.000 0.238 0.000 1.288 241 I HN 0.404 nan 8.210 nan 0.000 0.448 242 I N 6.325 126.981 120.570 0.144 0.000 2.328 242 I HA 0.251 4.646 4.170 0.374 0.000 0.287 242 I C 0.121 176.369 176.117 0.219 0.000 1.012 242 I CA -0.179 61.233 61.300 0.186 0.000 1.195 242 I CB 0.845 38.883 38.000 0.063 0.000 1.350 242 I HN 0.455 nan 8.210 nan 0.000 0.464 243 N N 5.441 124.211 118.700 0.117 0.000 2.457 243 N HA 0.289 5.253 4.740 0.374 0.000 0.250 243 N C -0.653 174.900 175.510 0.072 0.000 0.982 243 N CA -0.259 52.737 53.050 -0.091 0.000 0.941 243 N CB 1.103 39.178 38.487 -0.686 0.000 1.120 243 N HN 0.688 nan 8.380 nan 0.000 0.505 244 T N 0.477 115.122 114.554 0.151 0.000 2.895 244 T HA 0.441 5.016 4.350 0.374 0.000 0.283 244 T C 0.264 175.064 174.700 0.167 0.000 1.014 244 T CA -0.963 61.262 62.100 0.208 0.000 1.037 244 T CB 1.738 70.792 68.868 0.309 0.000 1.006 244 T HN 0.488 nan 8.240 nan 0.000 0.468 245 R N 1.481 122.081 120.500 0.166 0.000 2.357 245 R HA 0.568 5.132 4.340 0.374 0.000 0.296 245 R C -1.442 174.945 176.300 0.144 0.000 1.052 245 R CA -0.578 55.611 56.100 0.149 0.000 0.988 245 R CB 0.550 30.924 30.300 0.125 0.000 1.025 245 R HN 0.586 nan 8.270 nan 0.000 0.469 246 V N 4.399 124.384 119.914 0.118 0.000 2.462 246 V HA 0.130 4.475 4.120 0.374 0.000 0.288 246 V C -0.847 175.276 176.094 0.050 0.000 1.020 246 V CA -1.069 61.294 62.300 0.106 0.000 0.857 246 V CB 1.381 33.269 31.823 0.109 0.000 1.013 246 V HN 0.819 nan 8.190 nan 0.000 0.431 247 D N 3.186 123.591 120.400 0.008 0.000 2.488 247 D HA 0.170 5.034 4.640 0.374 0.000 0.238 247 D C 0.624 176.855 176.300 -0.115 0.000 1.138 247 D CA 0.886 54.761 54.000 -0.208 0.000 0.873 247 D CB 0.186 40.842 40.800 -0.240 0.000 1.183 247 D HN 0.676 nan 8.370 nan 0.000 0.458 248 Y N -0.420 119.883 120.300 0.005 0.000 4.604 248 Y HA -0.341 4.433 4.550 0.373 0.000 0.230 248 Y C 0.942 176.848 175.900 0.011 0.000 1.066 248 Y CA 0.626 58.722 58.100 -0.006 0.000 1.990 248 Y CB -0.848 37.605 38.460 -0.011 0.000 1.619 248 Y HN 0.313 nan 8.280 nan 0.000 0.649 249 R N -0.554 120.013 120.500 0.111 0.000 2.781 249 R HA 0.536 5.100 4.340 0.374 0.000 0.268 249 R C -0.246 176.074 176.300 0.033 0.000 1.047 249 R CA -1.298 54.846 56.100 0.073 0.000 0.925 249 R CB 0.981 31.328 30.300 0.080 0.000 1.246 249 R HN 0.089 nan 8.270 nan 0.000 0.456 250 R N 1.147 121.645 120.500 -0.003 0.000 2.641 250 R HA 0.251 4.815 4.340 0.374 0.000 0.269 250 R C 0.169 176.450 176.300 -0.032 0.000 1.074 250 R CA -0.336 55.738 56.100 -0.043 0.000 1.133 250 R CB 0.492 30.722 30.300 -0.116 0.000 1.029 250 R HN 0.206 nan 8.270 nan 0.000 0.488 251 R N 1.942 122.424 120.500 -0.029 0.000 2.484 251 R HA 0.060 4.624 4.340 0.374 0.000 0.293 251 R C -0.267 175.992 176.300 -0.069 0.000 1.023 251 R CA 0.129 56.230 56.100 0.000 0.000 1.037 251 R CB 0.233 30.563 30.300 0.050 0.000 0.951 251 R HN 0.320 nan 8.270 nan 0.000 0.418 252 L N 3.602 124.806 121.223 -0.033 0.000 2.289 252 L HA 0.418 4.982 4.340 0.374 0.000 0.285 252 L C -0.303 176.449 176.870 -0.196 0.000 1.049 252 L CA -0.806 53.942 54.840 -0.154 0.000 0.804 252 L CB 1.590 43.602 42.059 -0.080 0.000 1.195 252 L HN 0.285 nan 8.230 nan 0.000 0.428 253 V N 3.051 122.741 119.914 -0.373 0.000 2.680 253 V HA 0.493 4.837 4.120 0.374 0.000 0.309 253 V C -0.938 174.929 176.094 -0.379 0.000 1.052 253 V CA -0.643 61.509 62.300 -0.246 0.000 0.908 253 V CB 1.879 33.589 31.823 -0.188 0.000 1.001 253 V HN 0.431 nan 8.190 nan 0.000 0.431 254 Y N 1.271 121.610 120.300 0.065 0.000 2.570 254 Y HA 0.640 5.416 4.550 0.378 0.000 0.345 254 Y C 0.174 176.055 175.900 -0.032 0.000 1.014 254 Y CA -0.945 57.197 58.100 0.070 0.000 1.063 254 Y CB 1.871 40.480 38.460 0.248 0.000 1.272 254 Y HN 0.548 nan 8.280 nan 0.000 0.477 255 E N 0.576 120.848 120.200 0.121 0.000 2.256 255 E HA 0.634 5.208 4.350 0.374 0.000 0.267 255 E C -1.294 175.258 176.600 -0.082 0.000 0.892 255 E CA -0.963 55.444 56.400 0.012 0.000 0.775 255 E CB 2.343 32.065 29.700 0.038 0.000 1.207 255 E HN 0.390 nan 8.360 nan 0.000 0.420 256 S N 0.752 116.360 115.700 -0.154 0.000 2.649 256 S HA 0.219 4.914 4.470 0.374 0.000 0.274 256 S C -0.273 174.256 174.600 -0.118 0.000 1.176 256 S CA -0.544 57.540 58.200 -0.193 0.000 0.988 256 S CB 1.275 64.203 63.200 -0.453 0.000 1.071 256 S HN 0.373 nan 8.310 nan 0.000 0.478 257 S N 2.363 118.024 115.700 -0.065 0.000 2.524 257 S HA 0.076 4.771 4.470 0.374 0.000 0.216 257 S C 0.165 174.726 174.600 -0.065 0.000 0.987 257 S CA 0.220 58.389 58.200 -0.051 0.000 0.909 257 S CB -0.090 63.096 63.200 -0.024 0.000 0.781 257 S HN 0.881 nan 8.310 nan 0.000 0.521 258 D N 0.498 120.859 120.400 -0.064 0.000 3.010 258 D HA 0.258 5.122 4.640 0.374 0.000 0.347 258 D C 0.247 176.483 176.300 -0.107 0.000 1.340 258 D CA -0.448 53.511 54.000 -0.068 0.000 0.858 258 D CB -0.264 40.527 40.800 -0.016 0.000 1.111 258 D HN -0.153 nan 8.370 nan 0.000 0.482 259 M N 0.938 120.426 119.600 -0.187 0.000 2.253 259 M HA -0.182 4.522 4.480 0.374 0.000 0.199 259 M C 1.154 177.390 176.300 -0.108 0.000 0.342 259 M CA 1.142 56.263 55.300 -0.297 0.000 0.417 259 M CB -1.912 30.271 32.600 -0.695 0.000 1.338 259 M HN 0.843 nan 8.290 nan 0.000 0.920 260 G N -0.770 108.002 108.800 -0.046 0.000 2.159 260 G HA2 -0.330 3.855 3.960 0.374 0.000 0.256 260 G HA3 -0.330 3.855 3.960 0.374 0.000 0.256 260 G C 0.674 175.805 174.900 0.384 0.000 0.977 260 G CA 0.573 45.773 45.100 0.168 0.000 0.652 260 G HN 0.525 nan 8.290 nan 0.000 0.531 261 N N 0.423 119.255 118.700 0.219 0.000 2.331 261 N HA 0.062 5.027 4.740 0.374 0.000 0.180 261 N C 1.073 176.729 175.510 0.243 0.000 1.019 261 N CA 1.745 54.928 53.050 0.221 0.000 0.881 261 N CB 0.065 38.636 38.487 0.139 0.000 0.972 261 N HN 0.878 nan 8.380 nan 0.000 0.435 262 T N -2.339 112.368 114.554 0.256 0.000 3.011 262 T HA 0.457 5.031 4.350 0.374 0.000 0.303 262 T C -1.126 173.775 174.700 0.335 0.000 0.997 262 T CA -0.839 61.419 62.100 0.263 0.000 1.007 262 T CB 0.920 69.870 68.868 0.137 0.000 1.017 262 T HN -0.042 nan 8.240 nan 0.000 0.443 263 W N 2.265 123.581 121.300 0.026 0.000 2.570 263 W HA 0.809 5.698 4.660 0.381 0.000 0.337 263 W C -0.788 175.792 176.519 0.102 0.000 1.067 263 W CA -1.401 55.976 57.345 0.053 0.000 1.229 263 W CB 1.623 31.055 29.460 -0.046 0.000 1.355 263 W HN 0.664 nan 8.180 nan 0.000 0.555 264 L N 1.998 123.440 121.223 0.365 0.000 2.470 264 L HA 0.352 4.916 4.340 0.374 0.000 0.268 264 L C -0.155 176.873 176.870 0.263 0.000 0.964 264 L CA -0.962 54.035 54.840 0.261 0.000 0.839 264 L CB 1.638 43.780 42.059 0.138 0.000 1.276 264 L HN 0.495 nan 8.230 nan 0.000 0.403 265 E N 3.361 123.680 120.200 0.198 0.000 2.415 265 E HA 0.261 4.835 4.350 0.374 0.000 0.263 265 E C -0.057 176.478 176.600 -0.108 0.000 0.995 265 E CA 0.192 56.546 56.400 -0.076 0.000 0.915 265 E CB 1.088 30.670 29.700 -0.197 0.000 0.951 265 E HN 0.787 nan 8.360 nan 0.000 0.449 266 A N 5.183 127.909 122.820 -0.156 0.000 3.029 266 A HA 0.067 4.612 4.320 0.374 0.000 0.251 266 A C 1.304 178.793 177.584 -0.159 0.000 1.749 266 A CA 0.097 52.062 52.037 -0.120 0.000 1.386 266 A CB -0.967 17.972 19.000 -0.103 0.000 1.043 266 A HN 0.600 nan 8.150 nan 0.000 0.638 267 V N -1.426 118.363 119.914 -0.209 0.000 2.490 267 V HA -0.092 4.253 4.120 0.374 0.000 0.250 267 V C 1.844 177.894 176.094 -0.074 0.000 1.061 267 V CA 2.168 64.282 62.300 -0.311 0.000 1.064 267 V CB -1.075 30.189 31.823 -0.933 0.000 0.670 267 V HN 0.527 nan 8.190 nan 0.000 0.461 268 G N -0.137 108.648 108.800 -0.026 0.000 2.920 268 G HA2 0.193 4.378 3.960 0.374 0.000 0.208 268 G HA3 0.193 4.378 3.960 0.374 0.000 0.208 268 G C 1.143 176.050 174.900 0.012 0.000 1.159 268 G CA 1.145 46.289 45.100 0.072 0.000 0.784 268 G HN 0.730 nan 8.290 nan 0.000 0.535 269 T N -2.678 111.864 114.554 -0.020 0.000 3.451 269 T HA 0.226 4.800 4.350 0.374 0.000 0.201 269 T C 1.734 176.360 174.700 -0.123 0.000 0.965 269 T CA -0.012 62.038 62.100 -0.083 0.000 1.088 269 T CB 0.062 68.860 68.868 -0.117 0.000 1.251 269 T HN -0.010 nan 8.240 nan 0.000 0.325 270 L N 0.887 121.995 121.223 -0.191 0.000 2.749 270 L HA 0.454 5.019 4.340 0.374 0.000 0.242 270 L C 1.109 177.747 176.870 -0.386 0.000 1.103 270 L CA -0.277 54.353 54.840 -0.350 0.000 0.906 270 L CB 0.552 42.453 42.059 -0.265 0.000 1.228 270 L HN 0.267 nan 8.230 nan 0.000 0.517 271 S N 0.722 116.253 115.700 -0.282 0.000 2.560 271 S HA 0.137 4.831 4.470 0.374 0.000 0.284 271 S C 1.007 175.389 174.600 -0.363 0.000 1.327 271 S CA 0.157 58.170 58.200 -0.312 0.000 1.055 271 S CB 0.139 63.149 63.200 -0.317 0.000 0.868 271 S HN 0.418 nan 8.310 nan 0.000 0.506 272 R N 1.155 121.430 120.500 -0.376 0.000 3.977 272 R HA -0.171 4.393 4.340 0.374 0.000 0.428 272 R C 0.978 176.999 176.300 -0.465 0.000 1.079 272 R CA 0.914 56.748 56.100 -0.444 0.000 1.269 272 R CB -2.514 27.360 30.300 -0.709 0.000 1.856 272 R HN 0.482 nan 8.270 nan 0.000 0.551 273 V N -0.316 119.273 119.914 -0.543 0.000 2.323 273 V HA -0.131 4.213 4.120 0.374 0.000 0.244 273 V C 1.242 176.905 176.094 -0.718 0.000 1.041 273 V CA 1.608 63.471 62.300 -0.730 0.000 1.025 273 V CB -0.151 30.935 31.823 -1.229 0.000 0.656 273 V HN 0.241 nan 8.190 nan 0.000 0.451 274 W N 0.674 121.740 121.300 -0.390 0.000 2.338 274 W HA 0.605 5.489 4.660 0.373 0.000 0.307 274 W C 0.419 176.766 176.519 -0.287 0.000 1.167 274 W CA -0.545 56.567 57.345 -0.388 0.000 1.208 274 W CB 0.645 29.833 29.460 -0.453 0.000 1.228 274 W HN 0.150 nan 8.180 nan 0.000 0.499 275 G N 4.001 112.786 108.800 -0.025 0.000 2.356 275 G HA2 0.377 4.562 3.960 0.374 0.000 0.322 275 G HA3 0.377 4.562 3.960 0.374 0.000 0.322 275 G C -1.737 173.151 174.900 -0.020 0.000 1.125 275 G CA -1.240 43.847 45.100 -0.022 0.000 0.885 275 G HN 0.129 nan 8.290 nan 0.000 0.467 276 P HA 0.015 nan 4.420 nan 0.000 0.234 276 P C 0.342 177.751 177.300 0.181 0.000 1.167 276 P CA 0.642 63.823 63.100 0.135 0.000 0.763 276 P CB 0.273 32.039 31.700 0.110 0.000 0.835 277 S N -4.360 111.423 115.700 0.140 0.000 2.611 277 S HA 0.372 5.067 4.470 0.374 0.000 0.270 277 S C -2.771 171.914 174.600 0.142 0.000 1.131 277 S CA -1.242 57.058 58.200 0.167 0.000 0.826 277 S CB 1.219 64.489 63.200 0.117 0.000 1.095 277 S HN -0.345 nan 8.310 nan 0.000 0.461 278 P HA -0.118 nan 4.420 nan 0.000 0.218 278 P C 0.525 177.845 177.300 0.035 0.000 1.152 278 P CA 1.598 64.741 63.100 0.070 0.000 0.857 278 P CB -0.029 31.636 31.700 -0.060 0.000 0.787 279 K N -1.841 118.577 120.400 0.031 0.000 2.372 279 K HA 0.249 4.794 4.320 0.374 0.000 0.200 279 K C 0.223 176.842 176.600 0.033 0.000 1.022 279 K CA 0.031 56.330 56.287 0.020 0.000 1.125 279 K CB 0.097 32.603 32.500 0.009 0.000 0.855 279 K HN -0.150 nan 8.250 nan 0.000 0.524 280 S N 2.817 118.545 115.700 0.047 0.000 3.631 280 S HA -0.123 4.571 4.470 0.374 0.000 0.366 280 S C 0.035 174.676 174.600 0.069 0.000 0.993 280 S CA 1.109 59.338 58.200 0.049 0.000 1.167 280 S CB -1.280 61.936 63.200 0.025 0.000 0.909 280 S HN 0.715 nan 8.310 nan 0.000 0.478 281 N N -0.593 118.159 118.700 0.086 0.000 2.387 281 N HA 0.151 5.115 4.740 0.374 0.000 0.259 281 N C -0.408 175.250 175.510 0.247 0.000 1.369 281 N CA -0.497 52.636 53.050 0.139 0.000 0.867 281 N CB 0.455 38.984 38.487 0.070 0.000 1.341 281 N HN 0.315 nan 8.380 nan 0.000 0.495 282 Q N -0.071 119.817 119.800 0.146 0.000 2.528 282 Q HA 0.585 5.149 4.340 0.374 0.000 0.289 282 Q C -2.875 172.885 176.000 -0.401 0.000 1.091 282 Q CA -1.680 54.115 55.803 -0.013 0.000 0.797 282 Q CB 1.549 30.261 28.738 -0.043 0.000 1.466 282 Q HN 0.023 nan 8.270 nan 0.000 0.436 283 P HA 0.043 nan 4.420 nan 0.000 0.269 283 P C -0.101 177.014 177.300 -0.308 0.000 1.217 283 P CA 0.341 62.974 63.100 -0.779 0.000 0.783 283 P CB 0.405 31.480 31.700 -1.043 0.000 0.898 284 G N 0.063 108.770 108.800 -0.155 0.000 2.574 284 G HA2 0.532 4.716 3.960 0.374 0.000 0.248 284 G HA3 0.532 4.716 3.960 0.374 0.000 0.248 284 G C -0.735 174.201 174.900 0.060 0.000 1.422 284 G CA -0.301 44.827 45.100 0.046 0.000 1.051 284 G HN 0.560 nan 8.290 nan 0.000 0.560 285 S N -1.976 113.746 115.700 0.036 0.000 2.565 285 S HA 0.379 5.073 4.470 0.374 0.000 0.269 285 S C -0.929 173.540 174.600 -0.218 0.000 1.153 285 S CA -0.551 57.586 58.200 -0.105 0.000 0.835 285 S CB 1.784 64.771 63.200 -0.355 0.000 1.122 285 S HN 0.745 nan 8.310 nan 0.000 0.462 286 Q N 1.735 121.203 119.800 -0.554 0.000 2.394 286 Q HA 0.501 5.065 4.340 0.374 0.000 0.248 286 Q C -1.080 174.701 176.000 -0.365 0.000 0.992 286 Q CA 0.459 55.933 55.803 -0.549 0.000 0.888 286 Q CB 0.969 29.031 28.738 -1.126 0.000 1.257 286 Q HN 0.638 nan 8.270 nan 0.000 0.462 287 S N 1.424 117.006 115.700 -0.196 0.000 2.541 287 S HA 0.305 5.000 4.470 0.374 0.000 0.271 287 S C -1.258 173.300 174.600 -0.070 0.000 1.133 287 S CA -0.618 57.458 58.200 -0.207 0.000 0.876 287 S CB 1.810 64.895 63.200 -0.191 0.000 1.105 287 S HN 0.651 nan 8.310 nan 0.000 0.470 288 S N 1.595 117.245 115.700 -0.083 0.000 2.562 288 S HA 0.774 5.468 4.470 0.374 0.000 0.275 288 S C -1.348 173.381 174.600 0.214 0.000 1.281 288 S CA -0.256 57.987 58.200 0.071 0.000 1.045 288 S CB 0.214 63.444 63.200 0.050 0.000 0.962 288 S HN 0.533 nan 8.310 nan 0.000 0.503 289 F N 3.983 124.000 119.950 0.113 0.000 2.991 289 F HA 0.451 5.202 4.527 0.374 0.000 0.355 289 F C -0.528 175.368 175.800 0.160 0.000 1.262 289 F CA -0.234 57.883 58.000 0.194 0.000 1.127 289 F CB 1.268 40.420 39.000 0.252 0.000 1.447 289 F HN 0.713 nan 8.300 nan 0.000 0.584 290 T N 2.078 116.578 114.554 -0.089 0.000 2.896 290 T HA 0.914 5.488 4.350 0.374 0.000 0.297 290 T C -1.074 173.569 174.700 -0.095 0.000 1.108 290 T CA -0.794 61.261 62.100 -0.074 0.000 1.004 290 T CB 1.810 70.718 68.868 0.066 0.000 1.159 290 T HN 0.958 nan 8.240 nan 0.000 0.499 291 A N 1.615 124.431 122.820 -0.007 0.000 2.287 291 A HA 0.847 5.391 4.320 0.374 0.000 0.317 291 A C 0.136 177.798 177.584 0.131 0.000 1.220 291 A CA -0.610 51.490 52.037 0.104 0.000 0.835 291 A CB 0.448 19.557 19.000 0.181 0.000 1.180 291 A HN 1.796 nan 8.150 nan 0.000 0.500 292 V N -0.462 119.541 119.914 0.148 0.000 3.156 292 V HA 0.890 5.234 4.120 0.374 0.000 0.310 292 V C -0.359 175.815 176.094 0.133 0.000 1.234 292 V CA -0.725 61.663 62.300 0.145 0.000 1.065 292 V CB 1.581 33.478 31.823 0.124 0.000 1.088 292 V HN 0.660 nan 8.190 nan 0.000 0.451 293 T N 2.234 116.880 114.554 0.153 0.000 2.815 293 T HA 0.741 5.316 4.350 0.374 0.000 0.289 293 T C -0.617 174.173 174.700 0.150 0.000 1.000 293 T CA 0.092 62.270 62.100 0.130 0.000 0.958 293 T CB 0.603 69.542 68.868 0.119 0.000 0.944 293 T HN 0.626 nan 8.240 nan 0.000 0.442 294 I N 2.710 123.309 120.570 0.048 0.000 2.447 294 I HA 0.321 4.715 4.170 0.374 0.000 0.287 294 I C 0.071 176.214 176.117 0.044 0.000 1.023 294 I CA -0.715 60.596 61.300 0.017 0.000 1.083 294 I CB 1.613 39.504 38.000 -0.182 0.000 1.245 294 I HN 0.535 nan 8.210 nan 0.000 0.434 295 E N 4.660 124.906 120.200 0.076 0.000 2.476 295 E HA -0.258 4.316 4.350 0.374 0.000 0.251 295 E C 1.039 177.668 176.600 0.049 0.000 1.130 295 E CA 1.089 57.520 56.400 0.051 0.000 0.736 295 E CB -1.394 28.319 29.700 0.020 0.000 1.298 295 E HN 1.226 nan 8.360 nan 0.000 0.400 296 G N -0.314 108.522 108.800 0.060 0.000 2.205 296 G HA2 -0.380 3.805 3.960 0.374 0.000 0.261 296 G HA3 -0.380 3.805 3.960 0.374 0.000 0.261 296 G C 0.270 175.206 174.900 0.060 0.000 0.980 296 G CA 0.625 45.756 45.100 0.053 0.000 0.632 296 G HN 0.371 nan 8.290 nan 0.000 0.533 297 M N 0.734 120.379 119.600 0.075 0.000 2.149 297 M HA 0.706 5.410 4.480 0.374 0.000 0.342 297 M C 0.352 176.728 176.300 0.126 0.000 1.068 297 M CA -1.127 54.238 55.300 0.107 0.000 0.991 297 M CB 0.900 33.586 32.600 0.142 0.000 1.596 297 M HN 0.083 nan 8.290 nan 0.000 0.439 298 R N 3.680 124.252 120.500 0.119 0.000 2.458 298 R HA 0.367 4.931 4.340 0.374 0.000 0.303 298 R C -1.128 175.407 176.300 0.392 0.000 1.013 298 R CA 0.132 56.324 56.100 0.153 0.000 1.026 298 R CB -0.085 30.173 30.300 -0.070 0.000 0.948 298 R HN 0.548 nan 8.270 nan 0.000 0.417 299 V N 0.945 121.099 119.914 0.400 0.000 3.182 299 V HA 0.640 4.985 4.120 0.374 0.000 0.308 299 V C -0.523 175.736 176.094 0.274 0.000 1.240 299 V CA -1.216 61.323 62.300 0.398 0.000 1.063 299 V CB 2.455 34.435 31.823 0.262 0.000 1.076 299 V HN 0.609 nan 8.190 nan 0.000 0.446 300 M N 1.877 121.550 119.600 0.122 0.000 2.321 300 M HA 0.624 5.328 4.480 0.374 0.000 0.315 300 M C -1.460 174.930 176.300 0.151 0.000 1.052 300 M CA -0.402 54.913 55.300 0.025 0.000 0.936 300 M CB 2.080 34.586 32.600 -0.158 0.000 1.639 300 M HN 0.567 nan 8.290 nan 0.000 0.433 301 L N 3.230 124.541 121.223 0.147 0.000 2.307 301 L HA 0.638 5.202 4.340 0.374 0.000 0.284 301 L C -1.188 175.896 176.870 0.357 0.000 1.023 301 L CA -0.554 54.422 54.840 0.227 0.000 0.810 301 L CB 1.465 43.607 42.059 0.138 0.000 1.231 301 L HN 0.549 nan 8.230 nan 0.000 0.423 302 F N 2.260 122.346 119.950 0.227 0.000 2.547 302 F HA 0.633 5.384 4.527 0.373 0.000 0.316 302 F C -0.229 175.630 175.800 0.099 0.000 1.121 302 F CA -0.395 57.696 58.000 0.151 0.000 0.911 302 F CB 1.968 40.913 39.000 -0.092 0.000 1.179 302 F HN 0.474 nan 8.300 nan 0.000 0.443 303 T N 2.866 116.910 114.554 -0.850 0.000 2.885 303 T HA 0.547 5.121 4.350 0.374 0.000 0.285 303 T C -1.403 172.759 174.700 -0.897 0.000 1.019 303 T CA -0.600 61.125 62.100 -0.624 0.000 1.010 303 T CB 1.765 70.459 68.868 -0.291 0.000 1.022 303 T HN 0.825 nan 8.240 nan 0.000 0.466 304 H N 1.589 120.347 119.070 -0.519 0.000 3.123 304 H HA 0.354 5.134 4.556 0.373 0.000 0.346 304 H C -3.247 172.033 175.328 -0.080 0.000 1.138 304 H CA -1.339 54.522 56.048 -0.313 0.000 1.273 304 H CB 2.584 32.165 29.762 -0.302 0.000 1.926 304 H HN 0.467 nan 8.280 nan 0.000 0.524 305 P HA 0.109 nan 4.420 nan 0.000 0.274 305 P C 0.973 178.417 177.300 0.240 0.000 1.231 305 P CA -0.332 62.784 63.100 0.027 0.000 0.790 305 P CB 1.625 33.290 31.700 -0.058 0.000 0.951 306 L N 0.737 122.017 121.223 0.094 0.000 2.240 306 L HA -0.033 4.532 4.340 0.374 0.000 0.211 306 L C 0.837 177.830 176.870 0.206 0.000 1.106 306 L CA 0.703 55.625 54.840 0.138 0.000 0.793 306 L CB -0.781 41.216 42.059 -0.102 0.000 0.927 306 L HN 0.486 nan 8.230 nan 0.000 0.446 307 N N -0.531 118.241 118.700 0.120 0.000 2.738 307 N HA -0.259 4.705 4.740 0.374 0.000 0.249 307 N C 0.557 176.237 175.510 0.283 0.000 1.047 307 N CA 0.355 53.502 53.050 0.161 0.000 0.707 307 N CB -1.520 37.058 38.487 0.150 0.000 0.937 307 N HN 0.316 nan 8.380 nan 0.000 0.545 308 F N 0.024 120.008 119.950 0.057 0.000 2.161 308 F HA -0.193 4.558 4.527 0.374 0.000 0.300 308 F C 2.043 177.865 175.800 0.036 0.000 1.089 308 F CA 0.929 58.956 58.000 0.045 0.000 1.282 308 F CB 0.044 39.067 39.000 0.039 0.000 1.010 308 F HN 0.222 nan 8.300 nan 0.000 0.485 309 K N 0.353 120.893 120.400 0.234 0.000 2.288 309 K HA 0.116 4.660 4.320 0.374 0.000 0.201 309 K C 0.955 177.616 176.600 0.101 0.000 1.048 309 K CA 0.492 56.863 56.287 0.140 0.000 0.956 309 K CB -0.297 32.268 32.500 0.108 0.000 0.746 309 K HN 0.362 nan 8.250 nan 0.000 0.461 310 G N 1.098 109.956 108.800 0.098 0.000 2.756 310 G HA2 -0.270 3.915 3.960 0.374 0.000 0.678 310 G HA3 -0.270 3.915 3.960 0.374 0.000 0.678 310 G C -0.480 174.433 174.900 0.023 0.000 1.349 310 G CA -0.279 44.852 45.100 0.052 0.000 0.847 310 G HN 0.319 nan 8.290 nan 0.000 0.548 311 R N -2.185 118.279 120.500 -0.060 0.000 3.878 311 R HA -0.220 4.344 4.340 0.374 0.000 0.446 311 R C 1.202 177.367 176.300 -0.226 0.000 0.241 311 R CA 2.018 58.009 56.100 -0.183 0.000 1.411 311 R CB -1.321 29.014 30.300 0.058 0.000 1.019 311 R HN 0.781 nan 8.270 nan 0.000 0.555 312 W N 1.282 122.617 121.300 0.059 0.000 3.256 312 W HA 0.149 5.032 4.660 0.372 0.000 0.269 312 W C 1.720 178.271 176.519 0.053 0.000 1.310 312 W CA 0.153 57.527 57.345 0.048 0.000 1.673 312 W CB -0.261 29.222 29.460 0.038 0.000 1.115 312 W HN 0.364 nan 8.180 nan 0.000 0.686 313 L N 0.643 121.992 121.223 0.211 0.000 2.046 313 L HA -0.140 4.425 4.340 0.374 0.000 0.208 313 L C 1.160 178.094 176.870 0.106 0.000 1.077 313 L CA 1.319 56.242 54.840 0.139 0.000 0.747 313 L CB -0.647 41.474 42.059 0.102 0.000 0.896 313 L HN -0.076 nan 8.230 nan 0.000 0.432 314 R N 1.313 121.871 120.500 0.096 0.000 3.188 314 R HA -0.151 4.413 4.340 0.374 0.000 0.247 314 R C -0.348 175.974 176.300 0.037 0.000 0.918 314 R CA 0.577 56.720 56.100 0.071 0.000 0.629 314 R CB -1.881 28.473 30.300 0.089 0.000 1.087 314 R HN 0.598 nan 8.270 nan 0.000 0.462 315 D N 0.877 121.291 120.400 0.023 0.000 2.360 315 D HA 0.113 4.977 4.640 0.374 0.000 0.242 315 D C 0.089 176.336 176.300 -0.088 0.000 1.184 315 D CA -0.460 53.526 54.000 -0.024 0.000 0.930 315 D CB 0.482 41.271 40.800 -0.019 0.000 1.161 315 D HN 0.275 nan 8.370 nan 0.000 0.447 316 R N -1.001 119.420 120.500 -0.133 0.000 3.125 316 R HA -0.193 4.371 4.340 0.374 0.000 0.258 316 R C -0.542 175.661 176.300 -0.161 0.000 0.968 316 R CA -0.224 55.757 56.100 -0.198 0.000 0.656 316 R CB -1.949 28.128 30.300 -0.370 0.000 1.251 316 R HN 0.441 nan 8.270 nan 0.000 0.428 317 L N 1.635 122.756 121.223 -0.170 0.000 2.615 317 L HA 0.080 4.644 4.340 0.374 0.000 0.271 317 L C 0.238 176.998 176.870 -0.183 0.000 1.183 317 L CA 0.734 55.461 54.840 -0.189 0.000 0.933 317 L CB 0.296 42.164 42.059 -0.320 0.000 1.199 317 L HN 0.258 nan 8.230 nan 0.000 0.487 318 N N 3.435 122.063 118.700 -0.120 0.000 2.405 318 N HA 0.578 5.543 4.740 0.374 0.000 0.299 318 N C -1.426 173.967 175.510 -0.195 0.000 1.075 318 N CA -0.657 52.287 53.050 -0.176 0.000 0.884 318 N CB 1.296 39.712 38.487 -0.119 0.000 1.194 318 N HN 0.594 nan 8.380 nan 0.000 0.491 319 L N 3.312 124.354 121.223 -0.302 0.000 2.307 319 L HA 0.678 5.242 4.340 0.374 0.000 0.284 319 L C -1.704 174.989 176.870 -0.296 0.000 1.023 319 L CA -0.389 54.340 54.840 -0.183 0.000 0.810 319 L CB 0.464 42.457 42.059 -0.110 0.000 1.231 319 L HN 0.579 nan 8.230 nan 0.000 0.423 320 W N 5.219 126.594 121.300 0.125 0.000 2.719 320 W HA 0.693 5.578 4.660 0.375 0.000 0.352 320 W C -1.173 175.527 176.519 0.301 0.000 1.085 320 W CA -0.671 56.837 57.345 0.272 0.000 1.187 320 W CB 1.669 31.405 29.460 0.460 0.000 1.417 320 W HN 0.428 nan 8.180 nan 0.000 0.557 321 L N 2.122 123.716 121.223 0.619 0.000 2.438 321 L HA 0.818 5.382 4.340 0.374 0.000 0.270 321 L C -0.703 176.537 176.870 0.616 0.000 0.972 321 L CA -0.083 55.050 54.840 0.488 0.000 0.831 321 L CB 1.949 44.211 42.059 0.337 0.000 1.273 321 L HN 0.378 nan 8.230 nan 0.000 0.405 322 T N 1.415 116.270 114.554 0.501 0.000 2.916 322 T HA 0.461 5.035 4.350 0.374 0.000 0.305 322 T C -0.655 174.208 174.700 0.272 0.000 1.119 322 T CA -0.151 62.216 62.100 0.444 0.000 1.008 322 T CB 1.210 70.260 68.868 0.304 0.000 1.129 322 T HN 0.759 nan 8.240 nan 0.000 0.480 323 D N 2.807 123.333 120.400 0.210 0.000 2.388 323 D HA 0.170 5.034 4.640 0.374 0.000 0.221 323 D C 0.809 177.103 176.300 -0.009 0.000 1.133 323 D CA -0.250 53.858 54.000 0.180 0.000 0.831 323 D CB -0.564 40.392 40.800 0.259 0.000 0.962 323 D HN 0.787 nan 8.370 nan 0.000 0.502 324 N N -0.302 118.273 118.700 -0.208 0.000 2.948 324 N HA -0.240 4.724 4.740 0.374 0.000 0.239 324 N C 0.331 175.740 175.510 -0.167 0.000 0.954 324 N CA 1.064 53.962 53.050 -0.254 0.000 0.941 324 N CB -0.427 37.877 38.487 -0.304 0.000 1.101 324 N HN 0.407 nan 8.380 nan 0.000 0.579 325 Q N -0.522 119.160 119.800 -0.198 0.000 2.462 325 Q HA 0.220 4.784 4.340 0.374 0.000 0.194 325 Q C -0.139 175.683 176.000 -0.296 0.000 0.694 325 Q CA -0.119 55.508 55.803 -0.293 0.000 0.873 325 Q CB 0.475 29.008 28.738 -0.341 0.000 1.261 325 Q HN 0.126 nan 8.270 nan 0.000 0.531 326 R N 0.985 121.251 120.500 -0.389 0.000 2.457 326 R HA 0.526 5.090 4.340 0.374 0.000 0.284 326 R C -0.634 175.702 176.300 0.059 0.000 1.024 326 R CA 0.076 56.021 56.100 -0.259 0.000 1.025 326 R CB 1.089 30.968 30.300 -0.702 0.000 1.063 326 R HN 0.126 nan 8.270 nan 0.000 0.493 327 I N 2.437 123.173 120.570 0.276 0.000 2.439 327 I HA 0.278 4.672 4.170 0.374 0.000 0.285 327 I C -1.231 175.269 176.117 0.638 0.000 1.021 327 I CA -0.903 60.657 61.300 0.434 0.000 1.091 327 I CB 1.262 39.394 38.000 0.220 0.000 1.242 327 I HN 0.532 nan 8.210 nan 0.000 0.439 328 Y N 6.101 126.784 120.300 0.639 0.000 2.429 328 Y HA 0.447 5.221 4.550 0.374 0.000 0.342 328 Y C -0.196 175.961 175.900 0.429 0.000 1.004 328 Y CA -0.770 57.645 58.100 0.524 0.000 1.075 328 Y CB 1.562 40.295 38.460 0.455 0.000 1.214 328 Y HN 0.525 nan 8.280 nan 0.000 0.455 329 N N 4.506 122.868 118.700 -0.563 0.000 2.521 329 N HA 0.147 5.111 4.740 0.374 0.000 0.236 329 N C 0.228 175.227 175.510 -0.853 0.000 1.067 329 N CA 0.064 52.585 53.050 -0.881 0.000 0.939 329 N CB 0.881 38.879 38.487 -0.816 0.000 1.201 329 N HN 0.618 nan 8.380 nan 0.000 0.511 330 V N 2.126 121.794 119.914 -0.409 0.000 2.427 330 V HA 0.152 4.497 4.120 0.374 0.000 0.248 330 V C 1.467 177.434 176.094 -0.212 0.000 1.051 330 V CA 1.635 63.873 62.300 -0.103 0.000 1.048 330 V CB -1.397 30.428 31.823 0.003 0.000 0.666 330 V HN 0.885 nan 8.190 nan 0.000 0.456 331 G N -1.067 107.516 108.800 -0.361 0.000 2.315 331 G HA2 -0.039 4.145 3.960 0.374 0.000 0.296 331 G HA3 -0.039 4.145 3.960 0.374 0.000 0.296 331 G C -0.852 173.888 174.900 -0.268 0.000 1.289 331 G CA -0.296 44.622 45.100 -0.303 0.000 0.996 331 G HN 0.208 nan 8.290 nan 0.000 0.487 332 Q N -0.251 119.427 119.800 -0.203 0.000 2.307 332 Q HA 0.479 5.043 4.340 0.374 0.000 0.259 332 Q C 1.026 176.936 176.000 -0.150 0.000 0.998 332 Q CA -0.248 55.446 55.803 -0.181 0.000 0.923 332 Q CB 1.201 29.845 28.738 -0.158 0.000 1.196 332 Q HN 0.474 nan 8.270 nan 0.000 0.416 333 V N 2.612 122.423 119.914 -0.172 0.000 2.649 333 V HA -0.081 4.264 4.120 0.374 0.000 0.248 333 V C 0.994 177.003 176.094 -0.140 0.000 1.054 333 V CA 1.228 63.438 62.300 -0.150 0.000 1.073 333 V CB 0.062 31.773 31.823 -0.186 0.000 0.699 333 V HN 0.828 nan 8.190 nan 0.000 0.463 334 S N 0.073 115.648 115.700 -0.208 0.000 2.641 334 S HA 0.518 5.213 4.470 0.374 0.000 0.261 334 S C -0.372 174.206 174.600 -0.036 0.000 1.257 334 S CA -0.412 57.711 58.200 -0.128 0.000 0.983 334 S CB 1.024 64.117 63.200 -0.180 0.000 0.990 334 S HN 0.192 nan 8.310 nan 0.000 0.572 335 I N 1.560 122.140 120.570 0.017 0.000 2.339 335 I HA 0.547 4.941 4.170 0.374 0.000 0.290 335 I C 1.201 177.314 176.117 -0.006 0.000 0.994 335 I CA 0.044 61.348 61.300 0.007 0.000 1.191 335 I CB 0.685 38.702 38.000 0.028 0.000 1.343 335 I HN 1.147 nan 8.210 nan 0.000 0.458 336 G N 5.713 114.503 108.800 -0.017 0.000 2.596 336 G HA2 -0.335 3.849 3.960 0.374 0.000 0.295 336 G HA3 -0.335 3.849 3.960 0.374 0.000 0.295 336 G C 0.347 175.234 174.900 -0.023 0.000 1.240 336 G CA 0.544 45.636 45.100 -0.014 0.000 0.985 336 G HN 0.870 nan 8.290 nan 0.000 0.555 337 D N 1.724 122.120 120.400 -0.006 0.000 2.395 337 D HA 0.159 5.023 4.640 0.374 0.000 0.226 337 D C 0.894 177.193 176.300 -0.003 0.000 1.146 337 D CA 0.667 54.665 54.000 -0.004 0.000 0.830 337 D CB -0.599 40.217 40.800 0.025 0.000 0.958 337 D HN 0.966 nan 8.370 nan 0.000 0.501 338 E N 0.411 120.607 120.200 -0.005 0.000 2.398 338 E HA 0.027 4.601 4.350 0.374 0.000 0.263 338 E C -0.377 176.222 176.600 -0.002 0.000 1.046 338 E CA -0.528 55.872 56.400 0.000 0.000 0.908 338 E CB 0.431 30.139 29.700 0.015 0.000 0.963 338 E HN -0.081 nan 8.360 nan 0.000 0.431 339 N N 1.852 120.549 118.700 -0.006 0.000 2.497 339 N HA 0.084 5.048 4.740 0.374 0.000 0.271 339 N C -0.992 174.531 175.510 0.022 0.000 1.142 339 N CA -0.058 52.992 53.050 0.000 0.000 0.965 339 N CB 1.232 39.703 38.487 -0.026 0.000 1.077 339 N HN 0.582 nan 8.380 nan 0.000 0.462 340 S N -0.915 114.811 115.700 0.044 0.000 2.689 340 S HA 0.499 5.194 4.470 0.374 0.000 0.151 340 S C 0.330 174.972 174.600 0.070 0.000 1.155 340 S CA -0.772 57.483 58.200 0.091 0.000 1.144 340 S CB 0.412 63.627 63.200 0.026 0.000 1.526 340 S HN 0.540 nan 8.310 nan 0.000 0.419 341 A N 1.766 124.662 122.820 0.126 0.000 1.864 341 A HA 0.444 4.988 4.320 0.374 0.000 0.213 341 A C 0.144 177.908 177.584 0.300 0.000 1.266 341 A CA 0.789 52.930 52.037 0.173 0.000 0.612 341 A CB -0.407 18.706 19.000 0.187 0.000 0.940 341 A HN 0.668 nan 8.150 nan 0.000 0.463 342 Y N 0.772 121.088 120.300 0.027 0.000 2.299 342 Y HA 0.530 5.305 4.550 0.374 0.000 0.326 342 Y C 0.708 176.627 175.900 0.030 0.000 1.164 342 Y CA -1.134 56.966 58.100 -0.001 0.000 1.234 342 Y CB 0.815 39.274 38.460 -0.002 0.000 1.219 342 Y HN 0.412 nan 8.280 nan 0.000 0.497 343 S N 0.165 115.942 115.700 0.128 0.000 2.570 343 S HA 0.755 5.450 4.470 0.374 0.000 0.270 343 S C -1.024 173.620 174.600 0.073 0.000 1.149 343 S CA -0.945 57.319 58.200 0.105 0.000 0.837 343 S CB 2.197 65.413 63.200 0.027 0.000 1.124 343 S HN 0.489 nan 8.310 nan 0.000 0.465 344 S N 0.704 116.467 115.700 0.105 0.000 2.677 344 S HA 0.616 5.310 4.470 0.374 0.000 0.283 344 S C -1.385 173.296 174.600 0.136 0.000 1.159 344 S CA -0.502 57.766 58.200 0.114 0.000 1.001 344 S CB 0.998 64.277 63.200 0.131 0.000 1.032 344 S HN 0.835 nan 8.310 nan 0.000 0.487 345 V N 5.493 125.485 119.914 0.130 0.000 2.427 345 V HA 0.635 4.979 4.120 0.374 0.000 0.286 345 V C -0.374 175.836 176.094 0.194 0.000 1.034 345 V CA -0.724 61.665 62.300 0.147 0.000 0.893 345 V CB 1.295 33.186 31.823 0.114 0.000 0.982 345 V HN 0.771 nan 8.190 nan 0.000 0.452 346 L N 5.438 126.812 121.223 0.251 0.000 2.362 346 L HA 0.615 5.180 4.340 0.374 0.000 0.275 346 L C -1.359 175.746 176.870 0.391 0.000 0.998 346 L CA -0.478 54.539 54.840 0.294 0.000 0.820 346 L CB 1.660 43.894 42.059 0.291 0.000 1.270 346 L HN 0.636 nan 8.230 nan 0.000 0.415 347 Y N 5.139 125.559 120.300 0.201 0.000 2.345 347 Y HA 0.570 5.344 4.550 0.374 0.000 0.331 347 Y C -1.009 175.002 175.900 0.186 0.000 0.959 347 Y CA -0.689 57.525 58.100 0.190 0.000 1.204 347 Y CB 0.862 39.397 38.460 0.125 0.000 1.135 347 Y HN 0.709 nan 8.280 nan 0.000 0.477 348 K N 5.335 125.709 120.400 -0.044 0.000 2.471 348 K HA 0.303 4.847 4.320 0.374 0.000 0.252 348 K C -0.987 175.509 176.600 -0.172 0.000 0.938 348 K CA -0.443 55.784 56.287 -0.100 0.000 0.796 348 K CB 0.947 33.458 32.500 0.017 0.000 1.161 348 K HN 0.746 nan 8.250 nan 0.000 0.425 349 D N 3.791 124.047 120.400 -0.240 0.000 2.689 349 D HA -0.207 4.658 4.640 0.374 0.000 0.237 349 D C -0.411 175.775 176.300 -0.189 0.000 1.148 349 D CA 1.905 55.809 54.000 -0.160 0.000 0.656 349 D CB -0.925 39.845 40.800 -0.051 0.000 1.050 349 D HN 1.039 nan 8.370 nan 0.000 0.426 350 D N -1.413 118.717 120.400 -0.450 0.000 2.870 350 D HA -0.204 4.660 4.640 0.374 0.000 0.228 350 D C -0.681 175.604 176.300 -0.024 0.000 1.147 350 D CA 1.168 55.025 54.000 -0.238 0.000 0.757 350 D CB 0.017 40.819 40.800 0.003 0.000 1.091 350 D HN 0.226 nan 8.370 nan 0.000 0.429 351 K N -0.090 120.263 120.400 -0.078 0.000 2.426 351 K HA 0.658 5.202 4.320 0.374 0.000 0.251 351 K C -0.849 175.769 176.600 0.030 0.000 0.941 351 K CA -1.011 55.264 56.287 -0.021 0.000 0.808 351 K CB 1.899 34.379 32.500 -0.033 0.000 1.265 351 K HN 0.104 nan 8.250 nan 0.000 0.432 352 L N 2.472 123.610 121.223 -0.142 0.000 2.341 352 L HA 0.508 5.072 4.340 0.374 0.000 0.278 352 L C -1.582 175.091 176.870 -0.329 0.000 1.005 352 L CA -0.362 54.478 54.840 0.000 0.000 0.818 352 L CB 0.866 42.966 42.059 0.068 0.000 1.259 352 L HN 0.465 nan 8.230 nan 0.000 0.418 353 Y N 3.085 123.420 120.300 0.059 0.000 2.536 353 Y HA 0.669 5.444 4.550 0.374 0.000 0.347 353 Y C -0.345 175.524 175.900 -0.051 0.000 1.000 353 Y CA -0.699 57.355 58.100 -0.077 0.000 1.051 353 Y CB 2.050 40.481 38.460 -0.049 0.000 1.259 353 Y HN 0.667 nan 8.280 nan 0.000 0.468 354 C N 3.432 122.724 119.300 -0.013 0.000 2.608 354 C HA 0.711 5.396 4.460 0.374 0.000 0.325 354 C C -1.533 173.495 174.990 0.064 0.000 1.147 354 C CA -0.784 58.275 59.018 0.068 0.000 1.359 354 C CB 0.156 27.948 27.740 0.085 0.000 1.912 354 C HN 0.804 nan 8.230 nan 0.000 0.466 355 L N 6.955 128.279 121.223 0.167 0.000 2.262 355 L HA 0.710 5.274 4.340 0.374 0.000 0.288 355 L C -0.122 176.851 176.870 0.173 0.000 1.035 355 L CA 0.660 55.611 54.840 0.185 0.000 0.820 355 L CB 0.376 42.572 42.059 0.229 0.000 1.204 355 L HN 0.964 nan 8.230 nan 0.000 0.424 356 H N 1.325 120.431 119.070 0.060 0.000 2.977 356 H HA 0.624 5.405 4.556 0.374 0.000 0.350 356 H C -1.237 174.123 175.328 0.053 0.000 1.238 356 H CA -1.017 55.060 56.048 0.049 0.000 1.124 356 H CB 0.926 30.706 29.762 0.032 0.000 1.866 356 H HN 0.507 nan 8.280 nan 0.000 0.550 357 E N 1.249 121.589 120.200 0.234 0.000 2.313 357 E HA 0.311 4.885 4.350 0.374 0.000 0.276 357 E C -0.232 176.482 176.600 0.190 0.000 1.031 357 E CA -0.577 55.928 56.400 0.175 0.000 0.857 357 E CB 1.423 31.253 29.700 0.216 0.000 1.040 357 E HN 0.535 nan 8.360 nan 0.000 0.408 358 I N 0.304 120.920 120.570 0.076 0.000 2.474 358 I HA 0.449 4.843 4.170 0.374 0.000 0.294 358 I C -0.693 175.377 176.117 -0.077 0.000 1.005 358 I CA -0.794 60.527 61.300 0.035 0.000 1.113 358 I CB 1.787 39.792 38.000 0.009 0.000 1.289 358 I HN 0.352 nan 8.210 nan 0.000 0.436 359 N N 4.324 122.919 118.700 -0.175 0.000 2.491 359 N HA 0.350 5.314 4.740 0.374 0.000 0.274 359 N C -1.472 173.865 175.510 -0.288 0.000 1.023 359 N CA -0.290 52.485 53.050 -0.459 0.000 0.902 359 N CB 1.564 39.600 38.487 -0.751 0.000 1.267 359 N HN 0.708 nan 8.380 nan 0.000 0.503 360 S N 2.658 118.210 115.700 -0.247 0.000 2.456 360 S HA 0.289 4.983 4.470 0.374 0.000 0.316 360 S C 0.008 174.521 174.600 -0.146 0.000 1.089 360 S CA -0.646 57.464 58.200 -0.150 0.000 1.101 360 S CB 0.831 63.974 63.200 -0.094 0.000 0.995 360 S HN 0.740 nan 8.310 nan 0.000 0.468 361 N N 3.073 121.713 118.700 -0.100 0.000 2.710 361 N HA -0.158 4.806 4.740 0.374 0.000 0.249 361 N C -0.633 174.847 175.510 -0.051 0.000 1.059 361 N CA 0.940 53.956 53.050 -0.057 0.000 0.720 361 N CB -0.775 37.694 38.487 -0.031 0.000 0.983 361 N HN 0.760 nan 8.380 nan 0.000 0.544 362 E N -3.286 116.841 120.200 -0.121 0.000 2.513 362 E HA -0.191 4.384 4.350 0.374 0.000 0.257 362 E C -0.674 175.954 176.600 0.047 0.000 1.098 362 E CA 0.806 57.175 56.400 -0.051 0.000 0.752 362 E CB -1.828 27.938 29.700 0.111 0.000 1.324 362 E HN 0.405 nan 8.360 nan 0.000 0.403 363 V N 1.005 120.816 119.914 -0.171 0.000 2.482 363 V HA 0.420 4.764 4.120 0.374 0.000 0.295 363 V C -0.391 175.587 176.094 -0.193 0.000 1.026 363 V CA -0.769 61.460 62.300 -0.119 0.000 0.856 363 V CB 1.065 32.759 31.823 -0.215 0.000 1.001 363 V HN 0.090 nan 8.190 nan 0.000 0.424 364 Y N 1.765 122.034 120.300 -0.051 0.000 2.341 364 Y HA 0.695 5.470 4.550 0.375 0.000 0.337 364 Y C 0.766 176.690 175.900 0.039 0.000 1.014 364 Y CA -0.325 57.766 58.100 -0.015 0.000 1.111 364 Y CB 2.206 40.650 38.460 -0.027 0.000 1.194 364 Y HN 0.615 nan 8.280 nan 0.000 0.462 365 S N 2.956 118.748 115.700 0.154 0.000 2.704 365 S HA 0.708 5.402 4.470 0.374 0.000 0.305 365 S C -0.955 173.701 174.600 0.092 0.000 1.107 365 S CA -0.940 57.352 58.200 0.154 0.000 0.993 365 S CB 1.240 64.481 63.200 0.068 0.000 1.110 365 S HN 0.443 nan 8.310 nan 0.000 0.534 366 L N 2.063 123.313 121.223 0.045 0.000 2.333 366 L HA 0.613 5.177 4.340 0.374 0.000 0.280 366 L C -0.489 176.367 176.870 -0.025 0.000 1.004 366 L CA -0.966 53.851 54.840 -0.038 0.000 0.820 366 L CB 1.606 43.557 42.059 -0.181 0.000 1.247 366 L HN 0.480 nan 8.230 nan 0.000 0.416 367 V N -0.041 119.785 119.914 -0.147 0.000 2.713 367 V HA 0.535 4.880 4.120 0.374 0.000 0.307 367 V C -0.838 175.255 176.094 -0.002 0.000 1.052 367 V CA -0.702 61.528 62.300 -0.116 0.000 0.967 367 V CB 1.848 33.509 31.823 -0.270 0.000 1.019 367 V HN 0.573 nan 8.190 nan 0.000 0.459 368 F N 3.303 123.242 119.950 -0.020 0.000 2.403 368 F HA 0.841 5.592 4.527 0.374 0.000 0.355 368 F C 0.147 176.032 175.800 0.142 0.000 1.119 368 F CA -0.518 57.540 58.000 0.097 0.000 1.007 368 F CB 0.623 39.717 39.000 0.157 0.000 1.194 368 F HN 0.944 nan 8.300 nan 0.000 0.443 369 A N 6.572 129.157 122.820 -0.392 0.000 2.324 369 A HA 0.709 5.254 4.320 0.374 0.000 0.330 369 A C -0.605 176.783 177.584 -0.327 0.000 1.165 369 A CA -0.937 50.959 52.037 -0.235 0.000 0.813 369 A CB 0.877 19.849 19.000 -0.046 0.000 1.197 369 A HN 0.815 nan 8.150 nan 0.000 0.484 370 R N 2.530 122.922 120.500 -0.179 0.000 2.204 370 R HA 0.280 4.844 4.340 0.374 0.000 0.341 370 R C -0.934 175.263 176.300 -0.172 0.000 1.035 370 R CA -0.238 55.731 56.100 -0.218 0.000 0.887 370 R CB 0.591 30.835 30.300 -0.093 0.000 1.114 370 R HN 0.633 nan 8.270 nan 0.000 0.473 371 L N 4.300 125.402 121.223 -0.202 0.000 2.480 371 L HA 0.065 4.630 4.340 0.374 0.000 0.243 371 L C 1.515 178.322 176.870 -0.105 0.000 1.315 371 L CA -0.262 54.508 54.840 -0.116 0.000 1.231 371 L CB 0.155 42.163 42.059 -0.085 0.000 1.444 371 L HN 0.521 nan 8.230 nan 0.000 0.409 372 V N 1.402 121.260 119.914 -0.093 0.000 2.223 372 V HA -0.221 4.124 4.120 0.374 0.000 0.244 372 V C 2.506 178.574 176.094 -0.043 0.000 1.045 372 V CA 2.395 64.655 62.300 -0.068 0.000 1.000 372 V CB -0.740 31.053 31.823 -0.050 0.000 0.635 372 V HN 0.817 nan 8.190 nan 0.000 0.445 373 G N -0.625 108.154 108.800 -0.034 0.000 2.469 373 G HA2 -0.298 3.886 3.960 0.374 0.000 0.219 373 G HA3 -0.298 3.886 3.960 0.374 0.000 0.219 373 G C 1.423 176.308 174.900 -0.025 0.000 1.150 373 G CA 1.239 46.324 45.100 -0.025 0.000 0.763 373 G HN 0.555 nan 8.290 nan 0.000 0.561 374 E N -0.277 119.904 120.200 -0.032 0.000 2.077 374 E HA -0.070 4.505 4.350 0.374 0.000 0.193 374 E C 2.317 178.901 176.600 -0.027 0.000 0.989 374 E CA 0.629 57.013 56.400 -0.027 0.000 0.800 374 E CB -0.361 29.318 29.700 -0.036 0.000 0.746 374 E HN 0.365 nan 8.360 nan 0.000 0.452 375 L N 1.033 122.236 121.223 -0.033 0.000 2.017 375 L HA -0.128 4.437 4.340 0.374 0.000 0.208 375 L C 2.315 179.162 176.870 -0.038 0.000 1.073 375 L CA 1.847 56.667 54.840 -0.033 0.000 0.745 375 L CB -0.384 41.671 42.059 -0.006 0.000 0.894 375 L HN -0.003 nan 8.230 nan 0.000 0.432 376 R N -0.314 120.168 120.500 -0.030 0.000 2.117 376 R HA -0.196 4.368 4.340 0.374 0.000 0.243 376 R C 2.265 178.536 176.300 -0.048 0.000 1.143 376 R CA 2.232 58.312 56.100 -0.033 0.000 0.968 376 R CB -0.505 29.782 30.300 -0.023 0.000 0.863 376 R HN 0.509 nan 8.270 nan 0.000 0.444 377 I N 0.427 120.975 120.570 -0.037 0.000 2.252 377 I HA -0.245 4.149 4.170 0.374 0.000 0.245 377 I C 2.263 178.317 176.117 -0.106 0.000 1.102 377 I CA 1.035 62.312 61.300 -0.039 0.000 1.385 377 I CB -0.115 37.902 38.000 0.028 0.000 1.064 377 I HN 0.228 nan 8.210 nan 0.000 0.414 378 I N 0.717 121.233 120.570 -0.090 0.000 2.226 378 I HA -0.316 4.079 4.170 0.374 0.000 0.245 378 I C 2.431 178.422 176.117 -0.210 0.000 1.100 378 I CA 1.547 62.758 61.300 -0.149 0.000 1.374 378 I CB -0.293 37.643 38.000 -0.107 0.000 1.057 378 I HN 0.171 nan 8.210 nan 0.000 0.413 379 K N -0.172 120.142 120.400 -0.144 0.000 2.155 379 K HA -0.128 4.416 4.320 0.374 0.000 0.203 379 K C 2.325 178.832 176.600 -0.154 0.000 1.052 379 K CA 1.336 57.546 56.287 -0.129 0.000 0.948 379 K CB -0.192 32.266 32.500 -0.070 0.000 0.728 379 K HN 0.173 nan 8.250 nan 0.000 0.448 380 S N 0.851 116.459 115.700 -0.155 0.000 2.356 380 S HA -0.118 4.576 4.470 0.374 0.000 0.223 380 S C 2.058 176.508 174.600 -0.250 0.000 1.032 380 S CA 1.122 59.225 58.200 -0.160 0.000 1.005 380 S CB -0.171 62.957 63.200 -0.120 0.000 0.867 380 S HN 0.061 nan 8.310 nan 0.000 0.449 381 V N 2.354 122.030 119.914 -0.398 0.000 2.332 381 V HA -0.155 4.189 4.120 0.374 0.000 0.248 381 V C 2.404 178.052 176.094 -0.744 0.000 1.055 381 V CA 1.804 63.714 62.300 -0.649 0.000 1.038 381 V CB -0.714 30.502 31.823 -1.011 0.000 0.651 381 V HN 0.491 nan 8.190 nan 0.000 0.450 382 L N -0.673 120.201 121.223 -0.582 0.000 2.083 382 L HA -0.197 4.367 4.340 0.374 0.000 0.209 382 L C 2.745 179.537 176.870 -0.131 0.000 1.083 382 L CA 1.351 55.967 54.840 -0.374 0.000 0.752 382 L CB -0.585 41.347 42.059 -0.211 0.000 0.899 382 L HN 0.360 nan 8.230 nan 0.000 0.433 383 Q N -0.297 119.415 119.800 -0.146 0.000 2.079 383 Q HA -0.126 4.438 4.340 0.374 0.000 0.200 383 Q C 2.442 178.393 176.000 -0.081 0.000 0.974 383 Q CA 1.650 57.399 55.803 -0.090 0.000 0.840 383 Q CB -0.041 28.633 28.738 -0.106 0.000 0.898 383 Q HN 0.443 nan 8.270 nan 0.000 0.430 384 S N 0.085 115.730 115.700 -0.092 0.000 2.348 384 S HA -0.154 4.541 4.470 0.374 0.000 0.221 384 S C 1.509 176.243 174.600 0.222 0.000 1.033 384 S CA 1.152 59.335 58.200 -0.028 0.000 1.010 384 S CB -0.376 62.861 63.200 0.061 0.000 0.891 384 S HN 0.434 nan 8.310 nan 0.000 0.442 385 W N 2.038 123.436 121.300 0.162 0.000 2.338 385 W HA -0.028 4.856 4.660 0.374 0.000 0.304 385 W C 2.404 179.075 176.519 0.254 0.000 1.212 385 W CA 0.641 58.199 57.345 0.355 0.000 1.264 385 W CB -1.077 28.566 29.460 0.305 0.000 1.142 385 W HN 0.326 nan 8.180 nan 0.000 0.512 386 K N 0.179 120.786 120.400 0.345 0.000 2.025 386 K HA -0.178 4.366 4.320 0.374 0.000 0.207 386 K C 1.776 178.436 176.600 0.101 0.000 1.049 386 K CA 1.745 58.149 56.287 0.196 0.000 0.933 386 K CB -0.301 32.261 32.500 0.103 0.000 0.714 386 K HN -0.067 nan 8.250 nan 0.000 0.438 387 N N 0.212 118.891 118.700 -0.036 0.000 2.106 387 N HA -0.152 4.812 4.740 0.374 0.000 0.188 387 N C 1.548 176.967 175.510 -0.152 0.000 1.029 387 N CA 1.471 54.394 53.050 -0.211 0.000 0.848 387 N CB -0.479 37.745 38.487 -0.439 0.000 1.007 387 N HN 0.373 nan 8.380 nan 0.000 0.423 388 W N 1.498 122.854 121.300 0.093 0.000 2.388 388 W HA -0.060 4.824 4.660 0.374 0.000 0.294 388 W C 1.767 178.412 176.519 0.210 0.000 1.212 388 W CA 0.054 57.458 57.345 0.098 0.000 1.271 388 W CB -0.094 29.282 29.460 -0.139 0.000 1.126 388 W HN -0.007 nan 8.180 nan 0.000 0.535 389 D N -0.422 120.244 120.400 0.444 0.000 2.117 389 D HA -0.181 4.683 4.640 0.374 0.000 0.197 389 D C 2.224 178.647 176.300 0.204 0.000 0.987 389 D CA 1.705 55.898 54.000 0.321 0.000 0.829 389 D CB -0.740 40.221 40.800 0.269 0.000 0.961 389 D HN -0.030 nan 8.370 nan 0.000 0.460 390 S N -0.667 115.135 115.700 0.170 0.000 2.368 390 S HA -0.236 4.459 4.470 0.374 0.000 0.225 390 S C 1.991 176.651 174.600 0.100 0.000 1.030 390 S CA 1.661 59.920 58.200 0.099 0.000 0.999 390 S CB -0.279 62.956 63.200 0.059 0.000 0.844 390 S HN 0.431 nan 8.310 nan 0.000 0.459 391 H N 0.840 119.940 119.070 0.050 0.000 2.321 391 H HA 0.051 4.832 4.556 0.374 0.000 0.300 391 H C 1.949 177.304 175.328 0.045 0.000 1.087 391 H CA 2.114 58.174 56.048 0.020 0.000 1.319 391 H CB -0.467 29.366 29.762 0.118 0.000 1.379 391 H HN 0.375 nan 8.280 nan 0.000 0.501 392 L N -0.602 120.622 121.223 0.002 0.000 2.005 392 L HA -0.139 4.426 4.340 0.374 0.000 0.207 392 L C 2.670 179.486 176.870 -0.089 0.000 1.072 392 L CA 1.422 56.199 54.840 -0.106 0.000 0.744 392 L CB -0.541 41.531 42.059 0.021 0.000 0.895 392 L HN 0.271 nan 8.230 nan 0.000 0.433 393 S N -0.524 115.166 115.700 -0.016 0.000 2.442 393 S HA -0.147 4.548 4.470 0.374 0.000 0.236 393 S C 2.053 176.632 174.600 -0.034 0.000 1.007 393 S CA 1.400 59.591 58.200 -0.014 0.000 0.965 393 S CB -0.188 63.021 63.200 0.016 0.000 0.773 393 S HN 0.598 nan 8.310 nan 0.000 0.504 394 S N 0.423 116.092 115.700 -0.052 0.000 2.527 394 S HA 0.199 4.893 4.470 0.374 0.000 0.222 394 S C 0.524 175.084 174.600 -0.066 0.000 0.985 394 S CA -0.234 57.937 58.200 -0.049 0.000 0.921 394 S CB -0.441 62.733 63.200 -0.043 0.000 0.772 394 S HN 0.375 nan 8.310 nan 0.000 0.529 395 I N 1.946 122.454 120.570 -0.102 0.000 2.618 395 I HA 0.069 4.464 4.170 0.374 0.000 0.284 395 I C 0.521 176.602 176.117 -0.059 0.000 1.146 395 I CA -0.552 60.690 61.300 -0.096 0.000 1.425 395 I CB 0.542 38.465 38.000 -0.129 0.000 1.383 395 I HN 0.264 nan 8.210 nan 0.000 0.562 396 c N 7.567 126.142 118.600 -0.042 0.000 2.416 396 c HA 0.310 5.104 4.570 0.374 0.000 0.355 396 c C 1.036 175.102 174.090 -0.040 0.000 1.211 396 c CA -0.513 55.796 56.329 -0.033 0.000 1.699 396 c CB -1.285 41.212 42.510 -0.021 0.000 2.310 396 c HN 0.859 nan 8.230 nan 0.000 0.539 397 T N 4.480 119.007 114.554 -0.045 0.000 2.913 397 T HA 0.427 5.002 4.350 0.374 0.000 0.287 397 T C -2.665 172.005 174.700 -0.050 0.000 1.008 397 T CA -1.682 60.386 62.100 -0.055 0.000 1.067 397 T CB 1.004 69.836 68.868 -0.061 0.000 0.996 397 T HN 0.498 nan 8.240 nan 0.000 0.513 398 P HA 0.251 nan 4.420 nan 0.000 0.254 398 P C 0.185 177.460 177.300 -0.042 0.000 1.186 398 P CA 0.072 63.138 63.100 -0.057 0.000 0.868 398 P CB -0.392 31.257 31.700 -0.085 0.000 0.856 410 c N 0.490 119.081 118.600 -0.015 0.000 2.507 410 c HA 0.865 5.660 4.570 0.374 0.000 0.319 410 c C 1.217 175.294 174.090 -0.021 0.000 1.208 410 c CA 0.204 56.521 56.329 -0.020 0.000 1.619 410 c CB 0.837 43.335 42.510 -0.021 0.000 2.230 410 c HN 1.139 nan 8.230 nan 0.000 0.492 411 G N 1.958 110.742 108.800 -0.026 0.000 2.489 411 G HA2 0.531 4.715 3.960 0.374 0.000 0.271 411 G HA3 0.531 4.715 3.960 0.374 0.000 0.271 411 G C -2.736 172.147 174.900 -0.028 0.000 1.427 411 G CA -0.467 44.617 45.100 -0.027 0.000 1.057 411 G HN 0.565 nan 8.290 nan 0.000 0.532 412 P HA 0.378 nan 4.420 nan 0.000 0.275 412 P C -0.109 177.169 177.300 -0.037 0.000 1.228 412 P CA -0.143 62.937 63.100 -0.032 0.000 0.786 412 P CB 0.829 32.509 31.700 -0.034 0.000 0.927 413 A N 2.906 125.705 122.820 -0.034 0.000 2.531 413 A HA 0.108 4.652 4.320 0.374 0.000 0.236 413 A C 0.307 177.869 177.584 -0.038 0.000 1.062 413 A CA -0.162 51.855 52.037 -0.034 0.000 0.760 413 A CB -0.389 18.595 19.000 -0.026 0.000 0.995 413 A HN 0.424 nan 8.150 nan 0.000 0.501 414 V N 2.669 122.558 119.914 -0.040 0.000 2.617 414 V HA 0.106 4.451 4.120 0.374 0.000 0.304 414 V C 1.294 177.383 176.094 -0.009 0.000 1.040 414 V CA 0.878 63.158 62.300 -0.032 0.000 1.149 414 V CB 0.885 32.685 31.823 -0.039 0.000 0.914 414 V HN 0.999 nan 8.190 nan 0.000 0.487 415 T N 3.023 117.577 114.554 0.001 0.000 2.856 415 T HA 0.282 4.856 4.350 0.374 0.000 0.292 415 T C 0.936 175.718 174.700 0.136 0.000 0.980 415 T CA 0.073 62.190 62.100 0.029 0.000 1.091 415 T CB 0.945 69.792 68.868 -0.035 0.000 0.936 415 T HN 1.009 nan 8.240 nan 0.000 0.503 416 T N 1.487 116.099 114.554 0.097 0.000 3.092 416 T HA 0.242 4.816 4.350 0.374 0.000 0.258 416 T C 0.453 175.188 174.700 0.058 0.000 1.031 416 T CA -0.308 61.842 62.100 0.083 0.000 0.925 416 T CB -0.123 68.775 68.868 0.050 0.000 1.036 416 T HN 0.384 nan 8.240 nan 0.000 0.544 417 V N 2.427 122.388 119.914 0.079 0.000 2.450 417 V HA 0.483 4.828 4.120 0.374 0.000 0.281 417 V C 1.679 177.817 176.094 0.073 0.000 1.019 417 V CA 0.850 63.172 62.300 0.036 0.000 1.062 417 V CB -0.424 31.402 31.823 0.007 0.000 0.979 417 V HN 0.820 nan 8.190 nan 0.000 0.477 418 G N 4.275 113.056 108.800 -0.032 0.000 2.162 418 G HA2 -0.237 3.947 3.960 0.374 0.000 0.260 418 G HA3 -0.237 3.947 3.960 0.374 0.000 0.260 418 G C -0.030 174.755 174.900 -0.192 0.000 0.976 418 G CA 0.160 45.204 45.100 -0.095 0.000 0.655 418 G HN 0.846 nan 8.290 nan 0.000 0.533 419 L N 1.490 122.529 121.223 -0.306 0.000 2.530 419 L HA 0.545 5.109 4.340 0.374 0.000 0.273 419 L C 1.339 177.780 176.870 -0.715 0.000 1.141 419 L CA 0.544 54.929 54.840 -0.759 0.000 0.905 419 L CB 1.160 42.812 42.059 -0.679 0.000 1.202 419 L HN 0.032 nan 8.230 nan 0.000 0.473 420 V N 4.582 124.115 119.914 -0.635 0.000 2.581 420 V HA 0.416 4.760 4.120 0.374 0.000 0.240 420 V C 1.103 177.014 176.094 -0.305 0.000 1.054 420 V CA 0.915 62.913 62.300 -0.503 0.000 1.076 420 V CB -0.102 31.464 31.823 -0.427 0.000 0.748 420 V HN 0.881 nan 8.190 nan 0.000 0.474 421 G N -1.370 107.361 108.800 -0.116 0.000 2.619 421 G HA2 0.631 4.815 3.960 0.374 0.000 0.296 421 G HA3 0.631 4.815 3.960 0.374 0.000 0.296 421 G C -1.883 173.325 174.900 0.512 0.000 1.334 421 G CA -0.433 44.891 45.100 0.375 0.000 0.934 421 G HN 0.052 nan 8.290 nan 0.000 0.476 422 F N 1.666 121.797 119.950 0.301 0.000 2.787 422 F HA 0.482 5.234 4.527 0.374 0.000 0.340 422 F C -1.300 174.346 175.800 -0.256 0.000 1.232 422 F CA -1.078 56.934 58.000 0.019 0.000 1.051 422 F CB 1.249 40.276 39.000 0.045 0.000 1.330 422 F HN 0.261 nan 8.300 nan 0.000 0.522 423 L N 6.168 127.030 121.223 -0.601 0.000 2.265 423 L HA 0.522 5.086 4.340 0.374 0.000 0.289 423 L C 0.067 176.398 176.870 -0.898 0.000 1.033 423 L CA -0.093 54.071 54.840 -1.128 0.000 0.814 423 L CB 1.406 42.262 42.059 -2.005 0.000 1.203 423 L HN 0.625 nan 8.230 nan 0.000 0.423 424 S N 0.130 115.434 115.700 -0.661 0.000 4.341 424 S HA 0.159 4.853 4.470 0.374 0.000 0.220 424 S C 1.064 175.698 174.600 0.057 0.000 1.133 424 S CA -0.064 57.940 58.200 -0.326 0.000 1.679 424 S CB 0.154 62.882 63.200 -0.787 0.000 1.237 424 S HN 0.802 nan 8.310 nan 0.000 0.744 425 H N 1.450 120.450 119.070 -0.118 0.000 2.321 425 H HA 0.311 5.091 4.556 0.374 0.000 0.300 425 H C 0.583 175.900 175.328 -0.019 0.000 1.087 425 H CA 1.931 57.955 56.048 -0.041 0.000 1.319 425 H CB -0.444 29.293 29.762 -0.043 0.000 1.379 425 H HN 0.246 nan 8.280 nan 0.000 0.501 426 S N 0.154 115.841 115.700 -0.022 0.000 2.549 426 S HA 0.502 5.196 4.470 0.374 0.000 0.283 426 S C -0.372 174.225 174.600 -0.006 0.000 1.320 426 S CA 0.133 58.316 58.200 -0.028 0.000 1.058 426 S CB 0.802 64.018 63.200 0.027 0.000 0.882 426 S HN 0.646 nan 8.310 nan 0.000 0.498 427 A N 2.346 125.128 122.820 -0.064 0.000 2.597 427 A HA 0.719 5.263 4.320 0.374 0.000 0.292 427 A C -0.091 177.453 177.584 -0.067 0.000 1.057 427 A CA -0.770 51.236 52.037 -0.051 0.000 0.674 427 A CB 0.799 19.675 19.000 -0.207 0.000 1.278 427 A HN 0.749 nan 8.150 nan 0.000 0.416 428 T N -1.393 113.140 114.554 -0.036 0.000 2.819 428 T HA 0.537 5.111 4.350 0.374 0.000 0.271 428 T C 1.046 175.714 174.700 -0.053 0.000 0.986 428 T CA 0.217 62.297 62.100 -0.033 0.000 0.989 428 T CB 0.839 69.708 68.868 0.002 0.000 1.396 428 T HN 0.661 nan 8.240 nan 0.000 0.597 429 K N 0.424 120.801 120.400 -0.038 0.000 2.097 429 K HA -0.012 4.532 4.320 0.374 0.000 0.205 429 K C 1.927 178.511 176.600 -0.026 0.000 1.050 429 K CA 2.085 58.346 56.287 -0.044 0.000 0.938 429 K CB -0.800 31.683 32.500 -0.029 0.000 0.718 429 K HN 0.818 nan 8.250 nan 0.000 0.442 430 T N -2.594 111.960 114.554 0.000 0.000 3.085 430 T HA 0.306 4.880 4.350 0.374 0.000 0.264 430 T C -0.126 174.605 174.700 0.051 0.000 1.019 430 T CA -0.598 61.517 62.100 0.024 0.000 0.910 430 T CB 0.139 69.025 68.868 0.030 0.000 1.059 430 T HN 0.055 nan 8.240 nan 0.000 0.542 431 E N -0.086 120.145 120.200 0.052 0.000 2.383 431 E HA 0.352 4.927 4.350 0.374 0.000 0.275 431 E C -1.944 174.732 176.600 0.127 0.000 0.918 431 E CA -0.909 55.551 56.400 0.099 0.000 0.764 431 E CB 1.799 31.556 29.700 0.094 0.000 1.252 431 E HN 0.182 nan 8.360 nan 0.000 0.449 432 W N 2.796 124.058 121.300 -0.062 0.000 2.376 432 W HA 0.286 5.171 4.660 0.374 0.000 0.312 432 W C -0.560 175.879 176.519 -0.133 0.000 1.060 432 W CA -0.928 56.344 57.345 -0.123 0.000 1.221 432 W CB 0.836 30.202 29.460 -0.156 0.000 1.281 432 W HN 0.509 nan 8.180 nan 0.000 0.456 433 E N 3.041 123.337 120.200 0.160 0.000 2.259 433 E HA -0.021 4.553 4.350 0.374 0.000 0.281 433 E C -0.425 176.137 176.600 -0.064 0.000 1.037 433 E CA -0.349 56.083 56.400 0.054 0.000 0.854 433 E CB 1.001 30.744 29.700 0.070 0.000 1.051 433 E HN 0.179 nan 8.360 nan 0.000 0.409 434 D N 2.315 122.732 120.400 0.028 0.000 2.434 434 D HA -0.017 4.848 4.640 0.374 0.000 0.252 434 D C 0.653 176.986 176.300 0.056 0.000 1.185 434 D CA 0.134 54.194 54.000 0.101 0.000 0.886 434 D CB 1.082 42.092 40.800 0.349 0.000 1.148 434 D HN 0.512 nan 8.370 nan 0.000 0.483 435 A N 3.988 126.724 122.820 -0.140 0.000 2.070 435 A HA -0.182 4.362 4.320 0.374 0.000 0.220 435 A C 1.328 178.879 177.584 -0.056 0.000 1.159 435 A CA 0.995 52.840 52.037 -0.320 0.000 0.656 435 A CB -0.540 17.863 19.000 -0.994 0.000 0.800 435 A HN 0.733 nan 8.150 nan 0.000 0.453 436 Y N -1.290 119.186 120.300 0.294 0.000 2.468 436 Y HA 0.238 5.013 4.550 0.374 0.000 0.268 436 Y C 0.785 177.022 175.900 0.563 0.000 1.177 436 Y CA 0.125 58.505 58.100 0.468 0.000 1.265 436 Y CB 0.071 38.673 38.460 0.236 0.000 1.103 436 Y HN 0.327 nan 8.280 nan 0.000 0.522 437 R N -2.393 118.403 120.500 0.494 0.000 3.641 437 R HA -0.263 4.301 4.340 0.374 0.000 0.286 437 R C 0.453 177.108 176.300 0.591 0.000 1.153 437 R CA 0.693 57.058 56.100 0.441 0.000 0.775 437 R CB -2.519 27.968 30.300 0.310 0.000 1.215 437 R HN 0.447 nan 8.270 nan 0.000 0.474 438 C N -1.488 118.160 119.300 0.580 0.000 2.393 438 C HA 0.261 4.945 4.460 0.374 0.000 0.332 438 C C 0.773 175.990 174.990 0.378 0.000 1.423 438 C CA 0.313 59.668 59.018 0.562 0.000 2.097 438 C CB 0.798 28.875 27.740 0.562 0.000 2.274 438 C HN 0.273 nan 8.230 nan 0.000 0.570 439 V N 2.865 123.021 119.914 0.404 0.000 2.569 439 V HA 0.407 4.751 4.120 0.374 0.000 0.301 439 V C -1.239 175.166 176.094 0.518 0.000 1.044 439 V CA -0.503 62.005 62.300 0.347 0.000 0.874 439 V CB 1.487 33.376 31.823 0.111 0.000 1.002 439 V HN 0.355 nan 8.190 nan 0.000 0.424 440 N N 2.155 121.059 118.700 0.340 0.000 2.458 440 N HA 0.782 5.746 4.740 0.374 0.000 0.271 440 N C -0.060 175.577 175.510 0.210 0.000 1.210 440 N CA -0.267 52.916 53.050 0.221 0.000 0.978 440 N CB 1.944 40.528 38.487 0.162 0.000 1.206 440 N HN 0.877 nan 8.380 nan 0.000 0.536 441 A N -0.079 122.743 122.820 0.004 0.000 2.325 441 A HA 0.578 5.123 4.320 0.374 0.000 0.333 441 A C 0.020 177.691 177.584 0.144 0.000 1.155 441 A CA -0.632 51.441 52.037 0.060 0.000 0.814 441 A CB 0.299 19.212 19.000 -0.145 0.000 1.206 441 A HN 0.638 nan 8.150 nan 0.000 0.482 442 S N 0.804 116.595 115.700 0.153 0.000 2.610 442 S HA 0.710 5.404 4.470 0.374 0.000 0.273 442 S C 0.204 174.891 174.600 0.146 0.000 1.274 442 S CA 0.146 58.421 58.200 0.125 0.000 1.023 442 S CB 1.094 64.349 63.200 0.092 0.000 0.962 442 S HN 1.436 nan 8.310 nan 0.000 0.523 443 T N -2.303 112.329 114.554 0.131 0.000 2.901 443 T HA 0.851 5.425 4.350 0.374 0.000 0.293 443 T C -0.762 174.007 174.700 0.116 0.000 1.084 443 T CA -0.800 61.396 62.100 0.161 0.000 1.008 443 T CB 1.521 70.494 68.868 0.176 0.000 1.170 443 T HN 1.402 nan 8.240 nan 0.000 0.509 444 A N 1.390 124.297 122.820 0.145 0.000 2.520 444 A HA 0.739 5.283 4.320 0.374 0.000 0.298 444 A C -0.226 177.449 177.584 0.151 0.000 1.051 444 A CA -0.985 51.117 52.037 0.107 0.000 0.690 444 A CB 0.714 19.761 19.000 0.079 0.000 1.281 444 A HN 1.011 nan 8.150 nan 0.000 0.402 445 N N -1.093 117.660 118.700 0.089 0.000 2.716 445 N HA -0.169 4.795 4.740 0.374 0.000 0.250 445 N C -0.144 175.408 175.510 0.069 0.000 1.033 445 N CA 1.362 54.459 53.050 0.079 0.000 0.727 445 N CB -1.202 37.349 38.487 0.106 0.000 0.950 445 N HN 1.445 nan 8.380 nan 0.000 0.541 446 A N 0.033 122.836 122.820 -0.027 0.000 2.330 446 A HA 0.606 5.151 4.320 0.374 0.000 0.327 446 A C 0.158 177.566 177.584 -0.293 0.000 1.155 446 A CA -0.637 51.235 52.037 -0.274 0.000 0.803 446 A CB 1.344 20.144 19.000 -0.333 0.000 1.208 446 A HN 0.262 nan 8.150 nan 0.000 0.477 447 E N 2.729 122.703 120.200 -0.378 0.000 2.187 447 E HA 0.380 4.955 4.350 0.374 0.000 0.268 447 E C -0.609 175.771 176.600 -0.367 0.000 0.896 447 E CA -0.709 55.517 56.400 -0.291 0.000 0.766 447 E CB 0.933 30.505 29.700 -0.214 0.000 1.142 447 E HN 0.667 nan 8.360 nan 0.000 0.408 448 R N 2.048 122.361 120.500 -0.312 0.000 2.537 448 R HA 0.232 4.796 4.340 0.374 0.000 0.280 448 R C 0.052 176.201 176.300 -0.251 0.000 1.058 448 R CA -0.114 55.785 56.100 -0.336 0.000 1.057 448 R CB 0.833 30.956 30.300 -0.296 0.000 0.973 448 R HN 0.432 nan 8.270 nan 0.000 0.438 449 V N 0.404 120.172 119.914 -0.242 0.000 3.158 449 V HA 0.541 4.886 4.120 0.374 0.000 0.311 449 V C -2.630 173.449 176.094 -0.026 0.000 1.181 449 V CA -3.222 59.007 62.300 -0.117 0.000 1.054 449 V CB 1.848 33.609 31.823 -0.103 0.000 1.085 449 V HN 0.543 nan 8.190 nan 0.000 0.446 450 P HA 0.205 nan 4.420 nan 0.000 0.261 450 P C -0.054 177.377 177.300 0.217 0.000 1.183 450 P CA 0.693 63.921 63.100 0.214 0.000 0.761 450 P CB -0.123 31.637 31.700 0.100 0.000 0.785 451 N N 1.172 120.128 118.700 0.427 0.000 2.741 451 N HA -0.167 4.797 4.740 0.374 0.000 0.250 451 N C 0.511 176.130 175.510 0.182 0.000 1.115 451 N CA 1.755 54.953 53.050 0.248 0.000 0.724 451 N CB -1.410 37.187 38.487 0.183 0.000 1.090 451 N HN 0.731 nan 8.380 nan 0.000 0.558 452 G N -1.398 107.438 108.800 0.060 0.000 2.335 452 G HA2 0.546 4.731 3.960 0.374 0.000 0.291 452 G HA3 0.546 4.731 3.960 0.374 0.000 0.291 452 G C -1.840 172.792 174.900 -0.447 0.000 1.261 452 G CA -0.737 44.361 45.100 -0.003 0.000 0.871 452 G HN 0.098 nan 8.290 nan 0.000 0.491 453 L N 0.046 120.870 121.223 -0.665 0.000 2.409 453 L HA 0.647 5.211 4.340 0.374 0.000 0.262 453 L C -0.536 175.814 176.870 -0.868 0.000 0.992 453 L CA -0.880 53.379 54.840 -0.967 0.000 0.817 453 L CB 2.737 43.854 42.059 -1.570 0.000 1.350 453 L HN 0.638 nan 8.230 nan 0.000 0.411 454 K N 1.915 121.844 120.400 -0.785 0.000 2.274 454 K HA 0.669 5.213 4.320 0.374 0.000 0.262 454 K C -1.646 174.589 176.600 -0.608 0.000 0.961 454 K CA -0.303 55.694 56.287 -0.483 0.000 0.833 454 K CB 1.114 33.467 32.500 -0.245 0.000 1.102 454 K HN 0.298 nan 8.250 nan 0.000 0.436 455 F N 2.034 121.976 119.950 -0.013 0.000 2.538 455 F HA 0.775 5.527 4.527 0.374 0.000 0.325 455 F C -0.025 175.795 175.800 0.033 0.000 1.066 455 F CA -0.780 57.217 58.000 -0.006 0.000 0.946 455 F CB 2.479 41.484 39.000 0.008 0.000 1.199 455 F HN 0.606 nan 8.300 nan 0.000 0.473 456 A N 1.305 124.261 122.820 0.227 0.000 2.582 456 A HA 0.740 5.285 4.320 0.374 0.000 0.297 456 A C -0.537 177.112 177.584 0.109 0.000 1.059 456 A CA -0.183 51.940 52.037 0.144 0.000 0.705 456 A CB 1.152 20.206 19.000 0.090 0.000 1.279 456 A HN 1.853 nan 8.150 nan 0.000 0.404 457 G N -0.591 108.264 108.800 0.091 0.000 2.650 457 G HA2 0.370 4.554 3.960 0.374 0.000 0.686 457 G HA3 0.370 4.554 3.960 0.374 0.000 0.686 457 G C -0.554 174.386 174.900 0.065 0.000 1.205 457 G CA -0.457 44.684 45.100 0.068 0.000 0.781 457 G HN 1.813 nan 8.290 nan 0.000 0.648 458 V N 2.100 122.046 119.914 0.052 0.000 2.599 458 V HA 0.432 4.776 4.120 0.374 0.000 0.300 458 V C 1.920 178.044 176.094 0.050 0.000 1.034 458 V CA 2.343 64.672 62.300 0.050 0.000 1.115 458 V CB 0.591 32.437 31.823 0.038 0.000 0.934 458 V HN 2.816 nan 8.190 nan 0.000 0.485 459 G N 3.811 112.646 108.800 0.058 0.000 2.213 459 G HA2 -0.156 4.028 3.960 0.374 0.000 0.236 459 G HA3 -0.156 4.028 3.960 0.374 0.000 0.236 459 G C 0.609 175.546 174.900 0.061 0.000 0.991 459 G CA -0.018 45.114 45.100 0.054 0.000 0.629 459 G HN 1.329 nan 8.290 nan 0.000 0.517 460 G N -0.277 108.565 108.800 0.069 0.000 2.667 460 G HA2 0.730 4.914 3.960 0.374 0.000 0.250 460 G HA3 0.730 4.914 3.960 0.374 0.000 0.250 460 G C 0.794 175.687 174.900 -0.012 0.000 1.212 460 G CA 1.282 46.436 45.100 0.090 0.000 0.874 460 G HN 1.992 nan 8.290 nan 0.000 0.561 461 G N -1.622 107.114 108.800 -0.106 0.000 2.343 461 G HA2 0.530 4.714 3.960 0.374 0.000 0.562 461 G HA3 0.530 4.714 3.960 0.374 0.000 0.562 461 G C -0.582 174.161 174.900 -0.261 0.000 1.269 461 G CA -0.017 44.730 45.100 -0.588 0.000 1.011 461 G HN 2.061 nan 8.290 nan 0.000 0.498 462 A N -0.976 121.722 122.820 -0.204 0.000 2.401 462 A HA 0.913 5.458 4.320 0.374 0.000 0.310 462 A C -0.854 176.833 177.584 0.171 0.000 1.075 462 A CA -0.241 51.869 52.037 0.121 0.000 0.746 462 A CB 1.945 21.159 19.000 0.356 0.000 1.277 462 A HN 2.049 nan 8.150 nan 0.000 0.425 463 L N 1.421 122.761 121.223 0.195 0.000 2.376 463 L HA 0.618 5.182 4.340 0.374 0.000 0.275 463 L C -1.756 175.318 176.870 0.339 0.000 0.987 463 L CA -0.426 54.557 54.840 0.240 0.000 0.828 463 L CB 1.167 43.269 42.059 0.071 0.000 1.249 463 L HN 0.792 nan 8.230 nan 0.000 0.409 464 W N 8.735 130.172 121.300 0.229 0.000 2.282 464 W HA 0.446 5.331 4.660 0.375 0.000 0.322 464 W C -2.310 174.345 176.519 0.228 0.000 1.011 464 W CA -2.868 54.623 57.345 0.243 0.000 1.392 464 W CB 0.886 30.531 29.460 0.307 0.000 1.215 464 W HN 0.303 nan 8.180 nan 0.000 0.394 465 P HA 0.041 nan 4.420 nan 0.000 0.271 465 P C 0.164 177.430 177.300 -0.056 0.000 1.216 465 P CA 0.362 63.531 63.100 0.116 0.000 0.771 465 P CB 2.096 33.835 31.700 0.064 0.000 0.864 466 V N 2.833 122.677 119.914 -0.118 0.000 3.608 466 V HA -0.048 4.296 4.120 0.374 0.000 0.203 466 V C 2.511 178.499 176.094 -0.176 0.000 1.154 466 V CA 1.465 63.620 62.300 -0.243 0.000 1.386 466 V CB -1.290 30.264 31.823 -0.449 0.000 1.486 466 V HN 0.604 nan 8.190 nan 0.000 0.491 467 S N -0.099 115.511 115.700 -0.149 0.000 2.419 467 S HA -0.248 4.446 4.470 0.374 0.000 0.233 467 S C 1.703 176.269 174.600 -0.057 0.000 1.016 467 S CA 1.596 59.743 58.200 -0.089 0.000 0.974 467 S CB -0.644 62.514 63.200 -0.069 0.000 0.786 467 S HN 0.592 nan 8.310 nan 0.000 0.492 468 Q N 0.706 120.484 119.800 -0.037 0.000 2.515 468 Q HA -0.103 4.462 4.340 0.374 0.000 0.215 468 Q C 2.065 178.053 176.000 -0.021 0.000 0.983 468 Q CA 0.978 56.772 55.803 -0.014 0.000 0.905 468 Q CB -0.332 28.411 28.738 0.008 0.000 0.961 468 Q HN 0.752 nan 8.270 nan 0.000 0.503 469 Q N -0.639 119.130 119.800 -0.052 0.000 2.291 469 Q HA -0.080 4.485 4.340 0.374 0.000 0.206 469 Q C 1.075 177.072 176.000 -0.005 0.000 0.976 469 Q CA 0.631 56.408 55.803 -0.044 0.000 0.875 469 Q CB 0.114 28.788 28.738 -0.107 0.000 0.927 469 Q HN 0.499 nan 8.270 nan 0.000 0.450 470 G N 0.505 109.298 108.800 -0.012 0.000 2.603 470 G HA2 -0.435 3.750 3.960 0.374 0.000 0.245 470 G HA3 -0.435 3.750 3.960 0.374 0.000 0.245 470 G C 0.361 175.271 174.900 0.017 0.000 1.195 470 G CA 0.243 45.349 45.100 0.010 0.000 0.953 470 G HN 0.322 nan 8.290 nan 0.000 0.566 471 Q N 0.610 120.446 119.800 0.061 0.000 2.096 471 Q HA -0.050 4.514 4.340 0.374 0.000 0.204 471 Q C 0.879 176.902 176.000 0.038 0.000 0.982 471 Q CA 1.894 57.743 55.803 0.078 0.000 0.850 471 Q CB -0.214 28.624 28.738 0.166 0.000 0.901 471 Q HN 0.611 nan 8.270 nan 0.000 0.422 472 N N 0.813 119.545 118.700 0.053 0.000 2.476 472 N HA 0.197 5.162 4.740 0.374 0.000 0.257 472 N C -1.566 173.863 175.510 -0.135 0.000 0.970 472 N CA -0.193 52.822 53.050 -0.059 0.000 0.938 472 N CB 1.504 40.053 38.487 0.104 0.000 1.144 472 N HN 0.091 nan 8.380 nan 0.000 0.500 473 Q N 1.917 121.568 119.800 -0.249 0.000 2.706 473 Q HA 0.220 4.784 4.340 0.374 0.000 0.250 473 Q C 0.402 176.245 176.000 -0.263 0.000 1.120 473 Q CA -0.294 55.380 55.803 -0.214 0.000 0.972 473 Q CB 0.746 29.398 28.738 -0.144 0.000 1.173 473 Q HN 0.456 nan 8.270 nan 0.000 0.522 474 R N -0.043 120.293 120.500 -0.273 0.000 2.159 474 R HA -0.129 4.435 4.340 0.374 0.000 0.237 474 R C 0.613 176.958 176.300 0.074 0.000 1.131 474 R CA 1.370 57.359 56.100 -0.184 0.000 0.982 474 R CB 0.135 30.348 30.300 -0.145 0.000 0.868 474 R HN 0.538 nan 8.270 nan 0.000 0.453 475 Y N -0.458 119.698 120.300 -0.239 0.000 2.683 475 Y HA 0.072 4.846 4.550 0.374 0.000 0.297 475 Y C 1.507 176.997 175.900 -0.683 0.000 1.147 475 Y CA -0.651 57.115 58.100 -0.557 0.000 1.274 475 Y CB 0.210 38.311 38.460 -0.598 0.000 1.143 475 Y HN 0.219 nan 8.280 nan 0.000 0.527 476 H N 0.810 119.720 119.070 -0.267 0.000 2.563 476 H HA -0.112 4.668 4.556 0.374 0.000 0.272 476 H C 1.316 176.584 175.328 -0.101 0.000 1.005 476 H CA 0.680 56.597 56.048 -0.218 0.000 1.171 476 H CB -0.061 29.611 29.762 -0.150 0.000 1.351 476 H HN 0.609 nan 8.280 nan 0.000 0.602 477 F N -1.105 118.876 119.950 0.051 0.000 2.367 477 F HA 0.244 4.995 4.527 0.373 0.000 0.298 477 F C 2.427 178.262 175.800 0.059 0.000 1.094 477 F CA 0.486 58.541 58.000 0.092 0.000 1.409 477 F CB -0.596 38.421 39.000 0.028 0.000 1.064 477 F HN 0.059 nan 8.300 nan 0.000 0.528 478 A N 1.261 123.710 122.820 -0.618 0.000 2.070 478 A HA -0.159 4.385 4.320 0.374 0.000 0.220 478 A C 1.861 179.367 177.584 -0.130 0.000 1.159 478 A CA 1.526 53.414 52.037 -0.247 0.000 0.656 478 A CB -0.926 17.718 19.000 -0.593 0.000 0.800 478 A HN 0.509 nan 8.150 nan 0.000 0.453 479 N N -0.598 117.864 118.700 -0.396 0.000 2.459 479 N HA -0.083 4.882 4.740 0.374 0.000 0.181 479 N C 1.077 176.247 175.510 -0.567 0.000 1.046 479 N CA 1.063 53.803 53.050 -0.516 0.000 0.904 479 N CB -0.243 37.748 38.487 -0.826 0.000 0.964 479 N HN 0.695 nan 8.380 nan 0.000 0.444 480 H N -0.545 118.514 119.070 -0.019 0.000 2.481 480 H HA 0.472 5.253 4.556 0.374 0.000 0.291 480 H C 0.432 175.815 175.328 0.091 0.000 1.009 480 H CA 0.464 56.540 56.048 0.047 0.000 1.282 480 H CB 0.950 30.747 29.762 0.060 0.000 1.457 480 H HN 0.060 nan 8.280 nan 0.000 0.525 481 A N 0.718 123.706 122.820 0.280 0.000 2.577 481 A HA 0.495 5.039 4.320 0.374 0.000 0.297 481 A C -1.762 176.055 177.584 0.389 0.000 1.060 481 A CA -0.610 51.555 52.037 0.214 0.000 0.697 481 A CB 1.139 20.217 19.000 0.131 0.000 1.281 481 A HN 0.241 nan 8.150 nan 0.000 0.402 482 F N -0.999 119.029 119.950 0.129 0.000 2.703 482 F HA 0.826 5.578 4.527 0.374 0.000 0.308 482 F C -0.937 174.900 175.800 0.063 0.000 1.126 482 F CA -0.552 57.537 58.000 0.148 0.000 0.959 482 F CB 1.250 40.360 39.000 0.183 0.000 1.297 482 F HN 0.429 nan 8.300 nan 0.000 0.441 483 T N 3.752 118.452 114.554 0.244 0.000 2.812 483 T HA 0.648 5.222 4.350 0.374 0.000 0.282 483 T C -1.655 173.208 174.700 0.272 0.000 0.990 483 T CA -0.417 61.749 62.100 0.110 0.000 0.960 483 T CB 1.500 70.362 68.868 -0.011 0.000 0.948 483 T HN 0.779 nan 8.240 nan 0.000 0.438 484 L N 4.782 126.135 121.223 0.216 0.000 2.341 484 L HA 0.839 5.404 4.340 0.374 0.000 0.278 484 L C -1.188 175.696 176.870 0.023 0.000 1.005 484 L CA -0.471 54.410 54.840 0.069 0.000 0.818 484 L CB 1.490 43.511 42.059 -0.062 0.000 1.259 484 L HN 0.468 nan 8.230 nan 0.000 0.418 485 V N 3.804 123.733 119.914 0.026 0.000 2.823 485 V HA 1.029 5.374 4.120 0.374 0.000 0.312 485 V C -0.434 175.651 176.094 -0.015 0.000 1.072 485 V CA -0.116 62.171 62.300 -0.022 0.000 0.937 485 V CB 1.558 33.423 31.823 0.069 0.000 1.013 485 V HN 1.052 nan 8.190 nan 0.000 0.430 486 A N 2.216 124.984 122.820 -0.085 0.000 2.583 486 A HA 0.769 5.313 4.320 0.374 0.000 0.292 486 A C -0.951 176.643 177.584 0.016 0.000 1.045 486 A CA -0.525 51.519 52.037 0.011 0.000 0.672 486 A CB 1.621 20.635 19.000 0.024 0.000 1.283 486 A HN 0.638 nan 8.150 nan 0.000 0.419 487 S N 0.278 116.060 115.700 0.137 0.000 2.437 487 S HA 0.668 5.363 4.470 0.374 0.000 0.305 487 S C -0.132 174.563 174.600 0.158 0.000 1.109 487 S CA -0.180 58.129 58.200 0.182 0.000 1.099 487 S CB 1.128 64.460 63.200 0.220 0.000 1.004 487 S HN 1.867 nan 8.310 nan 0.000 0.475 488 V N 1.254 121.259 119.914 0.151 0.000 2.823 488 V HA 0.893 5.238 4.120 0.374 0.000 0.312 488 V C -0.567 175.599 176.094 0.120 0.000 1.072 488 V CA -0.452 61.919 62.300 0.119 0.000 0.937 488 V CB 2.008 33.871 31.823 0.066 0.000 1.013 488 V HN 0.664 nan 8.190 nan 0.000 0.430 489 T N 5.333 119.890 114.554 0.005 0.000 2.881 489 T HA 0.610 5.185 4.350 0.374 0.000 0.291 489 T C -0.411 174.043 174.700 -0.410 0.000 0.990 489 T CA -0.108 61.929 62.100 -0.104 0.000 0.976 489 T CB 1.092 69.915 68.868 -0.074 0.000 0.970 489 T HN 0.696 nan 8.240 nan 0.000 0.438 490 I N 3.603 123.937 120.570 -0.395 0.000 2.342 490 I HA 0.255 4.649 4.170 0.374 0.000 0.291 490 I C 1.066 176.942 176.117 -0.402 0.000 1.010 490 I CA -0.582 60.386 61.300 -0.553 0.000 1.308 490 I CB 0.912 38.409 38.000 -0.839 0.000 1.400 490 I HN 0.753 nan 8.210 nan 0.000 0.488 491 H N 4.619 123.684 119.070 -0.009 0.000 2.648 491 H HA 0.323 5.104 4.556 0.374 0.000 0.265 491 H C -0.344 175.036 175.328 0.087 0.000 0.961 491 H CA 0.304 56.383 56.048 0.052 0.000 1.185 491 H CB 0.609 30.398 29.762 0.044 0.000 1.449 491 H HN 0.572 nan 8.280 nan 0.000 0.523 492 E N 0.817 121.124 120.200 0.179 0.000 2.335 492 E HA 0.260 4.834 4.350 0.374 0.000 0.280 492 E C -0.828 175.912 176.600 0.233 0.000 0.918 492 E CA -0.616 55.898 56.400 0.191 0.000 0.765 492 E CB 3.243 33.042 29.700 0.165 0.000 1.218 492 E HN -0.189 nan 8.360 nan 0.000 0.425 493 V N 3.464 123.528 119.914 0.250 0.000 2.599 493 V HA 0.074 4.419 4.120 0.374 0.000 0.300 493 V C -1.553 174.681 176.094 0.233 0.000 1.034 493 V CA -0.644 61.828 62.300 0.285 0.000 1.115 493 V CB -0.480 31.445 31.823 0.170 0.000 0.934 493 V HN 0.606 nan 8.190 nan 0.000 0.485 494 P HA 0.227 nan 4.420 nan 0.000 0.278 494 P C 0.268 177.605 177.300 0.061 0.000 1.266 494 P CA -0.719 62.447 63.100 0.110 0.000 0.807 494 P CB 1.259 32.928 31.700 -0.052 0.000 1.094 495 K N -0.252 120.165 120.400 0.028 0.000 2.305 495 K HA 0.147 4.691 4.320 0.374 0.000 0.199 495 K C 0.645 177.250 176.600 0.008 0.000 1.047 495 K CA 0.777 57.078 56.287 0.024 0.000 0.976 495 K CB -0.166 32.348 32.500 0.022 0.000 0.765 495 K HN 0.693 nan 8.250 nan 0.000 0.474 496 G N -0.398 108.391 108.800 -0.019 0.000 2.550 496 G HA2 0.493 4.677 3.960 0.374 0.000 0.293 496 G HA3 0.493 4.677 3.960 0.374 0.000 0.293 496 G C -1.573 173.273 174.900 -0.091 0.000 1.402 496 G CA -0.515 44.567 45.100 -0.031 0.000 0.784 496 G HN 0.190 nan 8.290 nan 0.000 0.482 497 A N -0.022 122.750 122.820 -0.080 0.000 2.598 497 A HA 0.488 5.032 4.320 0.374 0.000 0.239 497 A C 0.625 178.079 177.584 -0.216 0.000 1.032 497 A CA 1.172 53.130 52.037 -0.132 0.000 0.760 497 A CB -0.283 18.687 19.000 -0.051 0.000 0.946 497 A HN 1.345 nan 8.150 nan 0.000 0.512 498 S N 3.782 119.218 115.700 -0.441 0.000 2.549 498 S HA 0.738 5.432 4.470 0.374 0.000 0.280 498 S C -2.916 171.439 174.600 -0.409 0.000 1.109 498 S CA -0.918 56.989 58.200 -0.488 0.000 0.905 498 S CB 2.258 65.011 63.200 -0.745 0.000 1.081 498 S HN 0.677 nan 8.310 nan 0.000 0.477 499 P HA 0.440 nan 4.420 nan 0.000 0.286 499 P C -0.232 177.088 177.300 0.033 0.000 1.261 499 P CA -0.498 62.496 63.100 -0.176 0.000 0.821 499 P CB 1.183 32.481 31.700 -0.669 0.000 1.013 500 L N 1.060 122.364 121.223 0.136 0.000 2.586 500 L HA 0.370 4.934 4.340 0.374 0.000 0.204 500 L C 0.341 177.238 176.870 0.046 0.000 1.053 500 L CA 0.313 55.218 54.840 0.110 0.000 0.856 500 L CB 0.332 42.448 42.059 0.095 0.000 1.192 500 L HN 0.257 nan 8.230 nan 0.000 0.484 501 L N -0.879 120.341 121.223 -0.005 0.000 2.556 501 L HA 0.774 5.338 4.340 0.374 0.000 0.257 501 L C -1.051 175.525 176.870 -0.490 0.000 0.955 501 L CA 0.047 54.756 54.840 -0.218 0.000 0.850 501 L CB 2.120 44.100 42.059 -0.131 0.000 1.398 501 L HN 0.030 nan 8.230 nan 0.000 0.412 502 G N 1.820 110.074 108.800 -0.911 0.000 2.328 502 G HA2 0.659 4.843 3.960 0.374 0.000 0.295 502 G HA3 0.659 4.843 3.960 0.374 0.000 0.295 502 G C -2.132 172.476 174.900 -0.487 0.000 1.413 502 G CA -0.153 44.502 45.100 -0.742 0.000 0.817 502 G HN 0.968 nan 8.290 nan 0.000 0.546 503 A N 0.045 122.834 122.820 -0.052 0.000 2.273 503 A HA 0.811 5.355 4.320 0.374 0.000 0.315 503 A C 0.206 177.778 177.584 -0.021 0.000 1.256 503 A CA 0.143 52.156 52.037 -0.040 0.000 0.851 503 A CB 1.246 20.234 19.000 -0.019 0.000 1.172 503 A HN 1.729 nan 8.150 nan 0.000 0.508 504 S N 2.272 117.878 115.700 -0.157 0.000 2.489 504 S HA 0.502 5.196 4.470 0.374 0.000 0.291 504 S C 0.857 175.302 174.600 -0.259 0.000 1.151 504 S CA -0.678 57.416 58.200 -0.177 0.000 1.082 504 S CB 0.412 63.386 63.200 -0.378 0.000 1.019 504 S HN 0.589 nan 8.310 nan 0.000 0.492 505 L N 2.557 123.696 121.223 -0.140 0.000 2.209 505 L HA 0.199 4.763 4.340 0.374 0.000 0.207 505 L C 0.532 177.348 176.870 -0.090 0.000 1.094 505 L CA 0.342 55.112 54.840 -0.118 0.000 0.790 505 L CB -0.168 41.847 42.059 -0.073 0.000 0.932 505 L HN 0.681 nan 8.230 nan 0.000 0.447 506 D N -2.353 118.006 120.400 -0.070 0.000 2.414 506 D HA 0.090 4.954 4.640 0.374 0.000 0.241 506 D C 0.975 177.307 176.300 0.053 0.000 1.008 506 D CA -0.039 53.946 54.000 -0.024 0.000 1.001 506 D CB 1.083 41.863 40.800 -0.033 0.000 1.277 506 D HN -0.095 nan 8.370 nan 0.000 0.538 507 S N 0.107 115.848 115.700 0.070 0.000 2.400 507 S HA -0.244 4.450 4.470 0.374 0.000 0.232 507 S C 1.744 176.416 174.600 0.119 0.000 1.025 507 S CA 1.708 59.981 58.200 0.121 0.000 0.993 507 S CB -0.909 62.306 63.200 0.026 0.000 0.808 507 S HN 0.611 nan 8.310 nan 0.000 0.478 508 S N 0.498 116.205 115.700 0.013 0.000 2.425 508 S HA 0.410 5.104 4.470 0.374 0.000 0.225 508 S C 1.777 176.267 174.600 -0.184 0.000 1.024 508 S CA 0.788 58.930 58.200 -0.096 0.000 0.951 508 S CB -0.717 62.389 63.200 -0.157 0.000 0.796 508 S HN 1.655 nan 8.310 nan 0.000 0.498 509 G N 0.026 108.753 108.800 -0.123 0.000 2.163 509 G HA2 -0.133 4.051 3.960 0.374 0.000 0.213 509 G HA3 -0.133 4.051 3.960 0.374 0.000 0.213 509 G C 0.875 175.592 174.900 -0.304 0.000 0.991 509 G CA 0.151 45.121 45.100 -0.217 0.000 0.653 509 G HN 0.964 nan 8.290 nan 0.000 0.518 510 G N -0.129 108.513 108.800 -0.263 0.000 2.421 510 G HA2 0.152 4.336 3.960 0.374 0.000 0.217 510 G HA3 0.152 4.336 3.960 0.374 0.000 0.217 510 G C 0.761 175.605 174.900 -0.094 0.000 1.143 510 G CA 1.152 46.132 45.100 -0.201 0.000 0.784 510 G HN 0.542 nan 8.290 nan 0.000 0.541 511 K N 1.022 121.379 120.400 -0.071 0.000 2.281 511 K HA 0.386 4.931 4.320 0.374 0.000 0.272 511 K C -0.676 175.916 176.600 -0.013 0.000 1.048 511 K CA -0.351 55.915 56.287 -0.035 0.000 0.898 511 K CB 0.519 32.997 32.500 -0.038 0.000 1.128 511 K HN 0.025 nan 8.250 nan 0.000 0.460 512 K N 3.595 124.010 120.400 0.024 0.000 2.164 512 K HA 0.180 4.725 4.320 0.374 0.000 0.258 512 K C 0.511 177.141 176.600 0.050 0.000 0.951 512 K CA -0.721 55.606 56.287 0.067 0.000 0.844 512 K CB 1.715 34.300 32.500 0.140 0.000 1.099 512 K HN 0.296 nan 8.250 nan 0.000 0.435 513 L N 2.615 123.867 121.223 0.049 0.000 2.068 513 L HA 0.249 4.814 4.340 0.374 0.000 0.204 513 L C -0.355 176.573 176.870 0.096 0.000 1.076 513 L CA 1.513 56.389 54.840 0.059 0.000 0.753 513 L CB 0.120 42.212 42.059 0.055 0.000 0.910 513 L HN 0.594 nan 8.230 nan 0.000 0.439 514 L N -0.633 120.662 121.223 0.119 0.000 2.565 514 L HA 0.733 5.297 4.340 0.374 0.000 0.261 514 L C -0.756 176.159 176.870 0.075 0.000 0.932 514 L CA 0.473 55.368 54.840 0.093 0.000 0.878 514 L CB 1.545 43.693 42.059 0.147 0.000 1.333 514 L HN 0.165 nan 8.230 nan 0.000 0.409 515 G N 2.881 111.674 108.800 -0.012 0.000 2.623 515 G HA2 0.583 4.768 3.960 0.374 0.000 0.290 515 G HA3 0.583 4.768 3.960 0.374 0.000 0.290 515 G C -2.707 172.156 174.900 -0.062 0.000 1.437 515 G CA -0.659 44.444 45.100 0.004 0.000 0.798 515 G HN 0.769 nan 8.290 nan 0.000 0.488 516 L N 0.601 121.809 121.223 -0.025 0.000 2.381 516 L HA 0.861 5.425 4.340 0.374 0.000 0.274 516 L C -0.180 176.733 176.870 0.071 0.000 0.988 516 L CA -0.299 54.522 54.840 -0.032 0.000 0.824 516 L CB 1.848 43.834 42.059 -0.121 0.000 1.263 516 L HN 0.553 nan 8.230 nan 0.000 0.410 517 S N 2.827 118.591 115.700 0.106 0.000 2.715 517 S HA 0.836 5.531 4.470 0.374 0.000 0.307 517 S C -1.586 173.175 174.600 0.268 0.000 1.119 517 S CA -0.323 57.952 58.200 0.124 0.000 0.937 517 S CB 1.648 64.869 63.200 0.035 0.000 1.150 517 S HN 0.584 nan 8.310 nan 0.000 0.521 518 Y N -0.327 119.999 120.300 0.042 0.000 2.544 518 Y HA 0.778 5.553 4.550 0.374 0.000 0.342 518 Y C -1.195 174.742 175.900 0.061 0.000 1.062 518 Y CA -1.233 56.859 58.100 -0.012 0.000 1.023 518 Y CB 0.906 39.037 38.460 -0.548 0.000 1.308 518 Y HN 0.658 nan 8.280 nan 0.000 0.457 519 D N 0.348 120.903 120.400 0.259 0.000 2.614 519 D HA 0.234 5.098 4.640 0.374 0.000 0.264 519 D C 0.424 176.848 176.300 0.206 0.000 1.092 519 D CA -0.959 53.110 54.000 0.116 0.000 1.071 519 D CB 1.445 42.291 40.800 0.078 0.000 1.443 519 D HN 0.727 nan 8.370 nan 0.000 0.528 520 K N -0.359 120.095 120.400 0.089 0.000 2.281 520 K HA -0.134 4.410 4.320 0.374 0.000 0.203 520 K C 0.757 177.387 176.600 0.050 0.000 1.046 520 K CA 0.963 57.294 56.287 0.074 0.000 0.938 520 K CB -0.176 32.353 32.500 0.049 0.000 0.737 520 K HN 0.301 nan 8.250 nan 0.000 0.458 521 R N 0.152 120.670 120.500 0.031 0.000 2.586 521 R HA 0.132 4.696 4.340 0.374 0.000 0.306 521 R C -0.671 175.580 176.300 -0.082 0.000 1.079 521 R CA -0.165 55.941 56.100 0.010 0.000 1.083 521 R CB -0.260 30.038 30.300 -0.004 0.000 1.306 521 R HN 0.340 nan 8.270 nan 0.000 0.567 522 H N -0.423 118.361 119.070 -0.476 0.000 2.899 522 H HA -0.181 4.600 4.556 0.374 0.000 0.282 522 H C -0.519 174.233 175.328 -0.960 0.000 1.198 522 H CA 0.790 56.048 56.048 -1.317 0.000 1.140 522 H CB -1.368 27.718 29.762 -1.125 0.000 1.317 522 H HN 0.393 nan 8.280 nan 0.000 0.375 523 Q N -0.838 118.862 119.800 -0.167 0.000 2.248 523 Q HA 0.344 4.908 4.340 0.374 0.000 0.263 523 Q C -0.139 176.010 176.000 0.249 0.000 1.007 523 Q CA -0.869 54.934 55.803 0.000 0.000 0.877 523 Q CB 1.544 30.311 28.738 0.049 0.000 1.315 523 Q HN 0.326 nan 8.270 nan 0.000 0.454 524 W N 1.175 122.655 121.300 0.300 0.000 2.316 524 W HA 0.233 5.117 4.660 0.374 0.000 0.321 524 W C 0.171 176.750 176.519 0.099 0.000 1.203 524 W CA -0.433 57.015 57.345 0.173 0.000 1.214 524 W CB 0.890 30.394 29.460 0.074 0.000 1.169 524 W HN 0.284 nan 8.180 nan 0.000 0.561 525 Q N 4.654 124.651 119.800 0.330 0.000 2.560 525 Q HA 0.200 4.764 4.340 0.374 0.000 0.238 525 Q C -2.237 173.802 176.000 0.066 0.000 1.079 525 Q CA -1.936 53.964 55.803 0.162 0.000 0.866 525 Q CB 1.088 29.889 28.738 0.105 0.000 1.153 525 Q HN 0.020 nan 8.270 nan 0.000 0.530 526 P HA 0.129 nan 4.420 nan 0.000 0.271 526 P C -0.468 176.584 177.300 -0.413 0.000 1.220 526 P CA 0.192 63.148 63.100 -0.240 0.000 0.768 526 P CB 0.921 32.472 31.700 -0.249 0.000 0.848 527 I N 4.268 124.556 120.570 -0.471 0.000 2.378 527 I HA 0.282 4.676 4.170 0.374 0.000 0.291 527 I C -0.311 175.540 176.117 -0.444 0.000 0.992 527 I CA -0.810 60.291 61.300 -0.331 0.000 1.154 527 I CB 1.117 39.066 38.000 -0.086 0.000 1.315 527 I HN 0.268 nan 8.210 nan 0.000 0.448 528 Y N 5.085 125.402 120.300 0.030 0.000 2.575 528 Y HA 0.548 5.322 4.550 0.374 0.000 0.326 528 Y C 1.074 176.984 175.900 0.017 0.000 0.979 528 Y CA -0.398 57.712 58.100 0.016 0.000 1.286 528 Y CB 1.160 39.619 38.460 -0.002 0.000 1.093 528 Y HN 0.884 nan 8.280 nan 0.000 0.501 529 G N 1.792 110.667 108.800 0.127 0.000 2.629 529 G HA2 -0.401 3.784 3.960 0.374 0.000 0.313 529 G HA3 -0.401 3.784 3.960 0.374 0.000 0.313 529 G C 1.131 176.068 174.900 0.062 0.000 1.217 529 G CA 0.813 45.961 45.100 0.081 0.000 0.994 529 G HN 0.895 nan 8.290 nan 0.000 0.549 530 S N -0.592 115.140 115.700 0.053 0.000 2.540 530 S HA 0.416 5.110 4.470 0.374 0.000 0.218 530 S C 0.829 175.456 174.600 0.046 0.000 0.977 530 S CA 1.123 59.346 58.200 0.038 0.000 0.918 530 S CB 0.314 63.528 63.200 0.024 0.000 0.806 530 S HN 0.905 nan 8.310 nan 0.000 0.496 531 T N 5.203 119.799 114.554 0.071 0.000 2.916 531 T HA 0.285 4.859 4.350 0.374 0.000 0.303 531 T C -2.443 172.304 174.700 0.078 0.000 1.025 531 T CA -0.597 61.550 62.100 0.078 0.000 1.142 531 T CB 0.274 69.214 68.868 0.119 0.000 0.947 531 T HN 0.177 nan 8.240 nan 0.000 0.544 532 P HA 0.108 nan 4.420 nan 0.000 0.264 532 P C -0.600 176.747 177.300 0.078 0.000 1.183 532 P CA -0.244 62.889 63.100 0.055 0.000 0.763 532 P CB 0.333 32.058 31.700 0.041 0.000 0.807 533 V N 3.603 123.558 119.914 0.068 0.000 2.649 533 V HA 0.223 4.567 4.120 0.374 0.000 0.292 533 V C 0.550 176.693 176.094 0.081 0.000 1.055 533 V CA 0.304 62.651 62.300 0.078 0.000 1.023 533 V CB 1.081 32.936 31.823 0.053 0.000 0.992 533 V HN 0.536 nan 8.190 nan 0.000 0.480 534 T N 6.292 120.909 114.554 0.104 0.000 2.815 534 T HA 0.418 4.992 4.350 0.374 0.000 0.289 534 T C -2.580 172.183 174.700 0.105 0.000 1.000 534 T CA -1.046 61.110 62.100 0.093 0.000 0.958 534 T CB 1.558 70.482 68.868 0.094 0.000 0.944 534 T HN 0.459 nan 8.240 nan 0.000 0.442 535 P HA 0.432 nan 4.420 nan 0.000 0.269 535 P C -0.207 177.164 177.300 0.118 0.000 1.209 535 P CA -0.054 63.113 63.100 0.112 0.000 0.776 535 P CB 0.686 32.437 31.700 0.085 0.000 0.876 536 T N 0.200 114.849 114.554 0.159 0.000 2.749 536 T HA 0.558 5.132 4.350 0.374 0.000 0.310 536 T C -0.142 174.683 174.700 0.209 0.000 1.496 536 T CA 0.472 62.663 62.100 0.152 0.000 1.006 536 T CB 0.470 69.424 68.868 0.143 0.000 1.457 536 T HN 0.737 nan 8.240 nan 0.000 0.497 537 G N 1.664 110.567 108.800 0.170 0.000 2.633 537 G HA2 0.053 4.238 3.960 0.374 0.000 0.263 537 G HA3 0.053 4.238 3.960 0.374 0.000 0.263 537 G C -0.104 174.847 174.900 0.085 0.000 1.310 537 G CA 0.301 45.519 45.100 0.196 0.000 0.914 537 G HN 1.552 nan 8.290 nan 0.000 0.569 538 S N -0.309 115.425 115.700 0.057 0.000 2.533 538 S HA 0.696 5.390 4.470 0.374 0.000 0.271 538 S C -0.955 173.542 174.600 -0.173 0.000 1.143 538 S CA 0.257 58.377 58.200 -0.133 0.000 0.891 538 S CB 0.813 63.981 63.200 -0.053 0.000 1.105 538 S HN 1.507 nan 8.310 nan 0.000 0.468 539 W N 2.734 123.769 121.300 -0.441 0.000 2.950 539 W HA 0.742 5.626 4.660 0.374 0.000 0.340 539 W C -1.046 175.461 176.519 -0.021 0.000 1.139 539 W CA -0.798 56.280 57.345 -0.444 0.000 1.188 539 W CB 0.671 29.359 29.460 -1.287 0.000 1.426 539 W HN 0.425 nan 8.180 nan 0.000 0.531 540 E N 2.591 123.111 120.200 0.533 0.000 2.212 540 E HA 0.341 4.915 4.350 0.374 0.000 0.268 540 E C -0.458 176.490 176.600 0.580 0.000 0.902 540 E CA -1.373 55.286 56.400 0.433 0.000 0.779 540 E CB 3.099 32.984 29.700 0.309 0.000 1.172 540 E HN 0.512 nan 8.360 nan 0.000 0.409 541 M N 0.551 120.426 119.600 0.458 0.000 2.248 541 M HA 0.186 4.890 4.480 0.374 0.000 0.337 541 M C 1.070 177.512 176.300 0.237 0.000 1.121 541 M CA 1.532 57.050 55.300 0.364 0.000 1.155 541 M CB 0.258 33.047 32.600 0.315 0.000 1.514 541 M HN 0.832 nan 8.290 nan 0.000 0.452 542 G N 2.722 111.625 108.800 0.172 0.000 2.220 542 G HA2 -0.328 3.857 3.960 0.374 0.000 0.269 542 G HA3 -0.328 3.857 3.960 0.374 0.000 0.269 542 G C 0.141 175.102 174.900 0.102 0.000 0.977 542 G CA 0.927 46.113 45.100 0.143 0.000 0.634 542 G HN 0.709 nan 8.290 nan 0.000 0.539 543 K N 0.568 121.035 120.400 0.112 0.000 2.174 543 K HA 0.507 5.052 4.320 0.374 0.000 0.275 543 K C 0.517 177.043 176.600 -0.123 0.000 1.015 543 K CA -0.899 55.367 56.287 -0.035 0.000 0.933 543 K CB 0.493 32.917 32.500 -0.127 0.000 1.025 543 K HN 0.224 nan 8.250 nan 0.000 0.463 544 R N 3.770 124.177 120.500 -0.154 0.000 2.234 544 R HA 0.148 4.712 4.340 0.374 0.000 0.324 544 R C -1.317 174.882 176.300 -0.168 0.000 1.054 544 R CA -0.233 55.831 56.100 -0.062 0.000 0.912 544 R CB 0.374 30.685 30.300 0.018 0.000 1.030 544 R HN 0.546 nan 8.270 nan 0.000 0.455 545 Y N 1.875 122.289 120.300 0.191 0.000 2.446 545 Y HA 0.226 5.000 4.550 0.374 0.000 0.338 545 Y C -0.082 175.943 175.900 0.208 0.000 1.055 545 Y CA -0.734 57.503 58.100 0.228 0.000 1.101 545 Y CB 1.523 40.131 38.460 0.247 0.000 1.221 545 Y HN 0.616 nan 8.280 nan 0.000 0.460 546 H N 1.595 120.847 119.070 0.303 0.000 2.488 546 H HA 0.648 5.428 4.556 0.374 0.000 0.322 546 H C -1.495 173.895 175.328 0.103 0.000 1.078 546 H CA -0.566 55.617 56.048 0.226 0.000 1.260 546 H CB 0.733 30.723 29.762 0.379 0.000 1.425 546 H HN 0.420 nan 8.280 nan 0.000 0.471 547 V N 6.513 126.214 119.914 -0.356 0.000 2.495 547 V HA 0.396 4.740 4.120 0.374 0.000 0.298 547 V C -0.683 175.211 176.094 -0.334 0.000 1.031 547 V CA -0.785 61.333 62.300 -0.304 0.000 0.871 547 V CB 1.672 33.350 31.823 -0.241 0.000 0.988 547 V HN 0.605 nan 8.190 nan 0.000 0.432 548 V N 6.179 125.989 119.914 -0.173 0.000 2.577 548 V HA 0.535 4.880 4.120 0.374 0.000 0.303 548 V C -0.573 175.535 176.094 0.024 0.000 1.042 548 V CA -0.523 61.718 62.300 -0.097 0.000 0.872 548 V CB 1.934 33.683 31.823 -0.123 0.000 0.998 548 V HN 0.680 nan 8.190 nan 0.000 0.423 549 L N 4.638 125.862 121.223 0.003 0.000 2.313 549 L HA 0.787 5.351 4.340 0.374 0.000 0.283 549 L C 0.200 177.018 176.870 -0.087 0.000 1.013 549 L CA -0.388 54.458 54.840 0.010 0.000 0.816 549 L CB 1.957 44.047 42.059 0.053 0.000 1.236 549 L HN 0.771 nan 8.230 nan 0.000 0.419 550 T N 0.663 115.145 114.554 -0.121 0.000 2.885 550 T HA 0.760 5.335 4.350 0.374 0.000 0.285 550 T C -0.502 173.960 174.700 -0.396 0.000 1.019 550 T CA -0.739 61.198 62.100 -0.271 0.000 1.010 550 T CB 2.449 71.265 68.868 -0.087 0.000 1.022 550 T HN 0.482 nan 8.240 nan 0.000 0.466 551 M N 2.398 121.647 119.600 -0.585 0.000 2.238 551 M HA 0.685 5.389 4.480 0.374 0.000 0.278 551 M C -1.935 174.223 176.300 -0.237 0.000 1.040 551 M CA -0.416 54.638 55.300 -0.411 0.000 0.969 551 M CB 1.220 33.492 32.600 -0.548 0.000 1.694 551 M HN 1.231 nan 8.290 nan 0.000 0.472 552 A N 4.229 126.981 122.820 -0.112 0.000 2.606 552 A HA 0.629 5.174 4.320 0.374 0.000 0.293 552 A C -0.016 177.555 177.584 -0.022 0.000 1.082 552 A CA -0.262 51.750 52.037 -0.042 0.000 0.685 552 A CB 1.035 20.015 19.000 -0.034 0.000 1.284 552 A HN 0.978 nan 8.150 nan 0.000 0.408 553 N N 0.473 119.176 118.700 0.005 0.000 2.707 553 N HA -0.221 4.744 4.740 0.374 0.000 0.253 553 N C 0.340 175.849 175.510 -0.001 0.000 0.998 553 N CA 1.726 54.781 53.050 0.009 0.000 0.751 553 N CB -1.326 37.162 38.487 0.002 0.000 0.920 553 N HN 0.822 nan 8.380 nan 0.000 0.539 554 K N -2.768 117.631 120.400 -0.002 0.000 3.426 554 K HA -0.231 4.314 4.320 0.374 0.000 0.315 554 K C -0.181 176.410 176.600 -0.013 0.000 1.293 554 K CA 1.491 57.774 56.287 -0.006 0.000 0.955 554 K CB -1.596 30.904 32.500 -0.001 0.000 1.238 554 K HN 0.550 nan 8.250 nan 0.000 0.441 555 I N 0.503 121.057 120.570 -0.026 0.000 2.441 555 I HA 0.374 4.768 4.170 0.374 0.000 0.295 555 I C 0.716 176.810 176.117 -0.037 0.000 0.994 555 I CA -0.638 60.642 61.300 -0.034 0.000 1.144 555 I CB 1.966 39.938 38.000 -0.046 0.000 1.314 555 I HN 0.089 nan 8.210 nan 0.000 0.445 556 G N 3.117 111.916 108.800 -0.002 0.000 2.452 556 G HA2 0.688 4.872 3.960 0.374 0.000 0.324 556 G HA3 0.688 4.872 3.960 0.374 0.000 0.324 556 G C -1.193 173.755 174.900 0.079 0.000 1.214 556 G CA -0.328 44.795 45.100 0.039 0.000 0.947 556 G HN 0.513 nan 8.290 nan 0.000 0.478 557 S N -0.607 115.124 115.700 0.052 0.000 2.548 557 S HA 0.692 5.386 4.470 0.374 0.000 0.286 557 S C -0.709 173.908 174.600 0.028 0.000 1.098 557 S CA -0.567 57.645 58.200 0.020 0.000 0.930 557 S CB 2.161 65.328 63.200 -0.055 0.000 1.070 557 S HN 0.542 nan 8.310 nan 0.000 0.480 558 V N 2.945 122.823 119.914 -0.060 0.000 2.487 558 V HA 0.524 4.869 4.120 0.374 0.000 0.298 558 V C -1.663 174.318 176.094 -0.188 0.000 1.028 558 V CA -0.578 61.676 62.300 -0.077 0.000 0.860 558 V CB 1.138 32.889 31.823 -0.120 0.000 0.991 558 V HN 0.866 nan 8.190 nan 0.000 0.427 559 Y N 4.378 124.595 120.300 -0.139 0.000 2.446 559 Y HA 0.668 5.443 4.550 0.374 0.000 0.345 559 Y C -0.179 175.596 175.900 -0.208 0.000 0.984 559 Y CA -1.116 56.901 58.100 -0.138 0.000 1.058 559 Y CB 1.974 40.377 38.460 -0.094 0.000 1.220 559 Y HN 0.325 nan 8.280 nan 0.000 0.455 560 I N 3.106 123.641 120.570 -0.058 0.000 2.418 560 I HA 0.208 4.602 4.170 0.374 0.000 0.287 560 I C -0.372 175.715 176.117 -0.049 0.000 1.008 560 I CA -0.993 60.232 61.300 -0.125 0.000 1.104 560 I CB 1.373 39.217 38.000 -0.261 0.000 1.264 560 I HN 0.736 nan 8.210 nan 0.000 0.438 561 D N 5.253 125.628 120.400 -0.042 0.000 2.772 561 D HA -0.180 4.684 4.640 0.374 0.000 0.233 561 D C 1.267 177.051 176.300 -0.861 0.000 1.143 561 D CA 1.637 55.332 54.000 -0.509 0.000 0.700 561 D CB -0.876 39.729 40.800 -0.326 0.000 1.076 561 D HN 1.139 nan 8.370 nan 0.000 0.430 562 G N -1.054 107.568 108.800 -0.297 0.000 2.184 562 G HA2 -0.316 3.869 3.960 0.374 0.000 0.264 562 G HA3 -0.316 3.869 3.960 0.374 0.000 0.264 562 G C -0.035 174.877 174.900 0.019 0.000 0.975 562 G CA 0.556 45.561 45.100 -0.158 0.000 0.642 562 G HN 0.397 nan 8.290 nan 0.000 0.536 563 E N 0.511 120.747 120.200 0.061 0.000 2.222 563 E HA 0.451 5.025 4.350 0.374 0.000 0.267 563 E C -2.725 173.912 176.600 0.061 0.000 0.884 563 E CA -2.121 54.342 56.400 0.105 0.000 0.764 563 E CB 2.183 31.887 29.700 0.006 0.000 1.169 563 E HN 0.064 nan 8.360 nan 0.000 0.413 564 P HA 0.067 nan 4.420 nan 0.000 0.268 564 P C 0.015 177.181 177.300 -0.223 0.000 1.204 564 P CA 0.034 62.839 63.100 -0.492 0.000 0.768 564 P CB 0.483 31.901 31.700 -0.471 0.000 0.842 565 L N 2.064 123.167 121.223 -0.200 0.000 2.426 565 L HA 0.096 4.660 4.340 0.374 0.000 0.271 565 L C 1.300 178.145 176.870 -0.042 0.000 1.169 565 L CA -0.149 54.651 54.840 -0.067 0.000 0.836 565 L CB 0.029 42.071 42.059 -0.029 0.000 1.112 565 L HN 0.454 nan 8.230 nan 0.000 0.465 566 E N 2.090 122.291 120.200 0.001 0.000 2.493 566 E HA 0.110 4.684 4.350 0.374 0.000 0.255 566 E C 0.884 177.488 176.600 0.007 0.000 0.999 566 E CA 0.857 57.256 56.400 -0.003 0.000 0.934 566 E CB 0.245 29.956 29.700 0.020 0.000 0.940 566 E HN 0.804 nan 8.360 nan 0.000 0.473 567 G N 3.094 111.870 108.800 -0.041 0.000 2.184 567 G HA2 -0.272 3.912 3.960 0.374 0.000 0.206 567 G HA3 -0.272 3.912 3.960 0.374 0.000 0.206 567 G C 0.199 174.975 174.900 -0.206 0.000 0.995 567 G CA 0.167 45.221 45.100 -0.077 0.000 0.651 567 G HN 0.709 nan 8.290 nan 0.000 0.511 568 S N -0.190 115.418 115.700 -0.154 0.000 2.601 568 S HA 0.593 5.287 4.470 0.374 0.000 0.271 568 S C 1.192 175.631 174.600 -0.270 0.000 1.305 568 S CA 1.270 59.348 58.200 -0.204 0.000 1.022 568 S CB 1.251 64.356 63.200 -0.158 0.000 0.940 568 S HN 2.232 nan 8.310 nan 0.000 0.525 569 G N 2.664 111.295 108.800 -0.282 0.000 2.226 569 G HA2 -0.112 4.072 3.960 0.374 0.000 0.176 569 G HA3 -0.112 4.072 3.960 0.374 0.000 0.176 569 G C -0.398 174.350 174.900 -0.253 0.000 1.042 569 G CA -0.226 44.751 45.100 -0.205 0.000 0.732 569 G HN 0.790 nan 8.290 nan 0.000 0.494 570 Q N -0.001 119.567 119.800 -0.388 0.000 2.204 570 Q HA 0.629 5.194 4.340 0.374 0.000 0.254 570 Q C 0.055 175.963 176.000 -0.153 0.000 0.981 570 Q CA -0.630 54.971 55.803 -0.337 0.000 0.897 570 Q CB 1.251 29.631 28.738 -0.596 0.000 1.273 570 Q HN 0.176 nan 8.270 nan 0.000 0.464 571 T N 1.020 115.517 114.554 -0.094 0.000 2.870 571 T HA 0.138 4.712 4.350 0.374 0.000 0.300 571 T C 0.925 175.630 174.700 0.008 0.000 0.989 571 T CA -0.171 61.908 62.100 -0.035 0.000 1.139 571 T CB 0.551 69.402 68.868 -0.028 0.000 0.920 571 T HN 0.566 nan 8.240 nan 0.000 0.537 572 V N 1.030 120.961 119.914 0.027 0.000 3.548 572 V HA 0.433 4.778 4.120 0.374 0.000 0.279 572 V C 0.058 176.171 176.094 0.032 0.000 1.446 572 V CA -0.156 62.179 62.300 0.058 0.000 1.023 572 V CB 0.309 32.184 31.823 0.086 0.000 0.820 572 V HN 0.505 nan 8.190 nan 0.000 0.438 573 V N 2.393 122.315 119.914 0.013 0.000 2.447 573 V HA 0.524 4.868 4.120 0.374 0.000 0.292 573 V C -2.593 173.501 176.094 0.000 0.000 1.021 573 V CA -1.764 60.537 62.300 0.002 0.000 0.850 573 V CB 1.500 33.317 31.823 -0.010 0.000 1.005 573 V HN 0.213 nan 8.190 nan 0.000 0.426 574 P HA 0.039 nan 4.420 nan 0.000 0.266 574 P C 0.148 177.449 177.300 0.002 0.000 1.186 574 P CA 0.219 63.319 63.100 0.001 0.000 0.767 574 P CB 0.574 32.275 31.700 0.001 0.000 0.820 575 D N 1.407 121.810 120.400 0.004 0.000 2.349 575 D HA -0.040 4.824 4.640 0.374 0.000 0.224 575 D C 1.611 177.918 176.300 0.012 0.000 1.029 575 D CA 0.624 54.629 54.000 0.008 0.000 0.879 575 D CB -0.096 40.708 40.800 0.007 0.000 0.906 575 D HN 0.556 nan 8.370 nan 0.000 0.528 576 E N 0.654 120.860 120.200 0.009 0.000 2.442 576 E HA 0.200 4.774 4.350 0.374 0.000 0.195 576 E C 1.272 177.880 176.600 0.013 0.000 1.030 576 E CA 0.603 57.010 56.400 0.011 0.000 0.869 576 E CB -0.348 29.357 29.700 0.008 0.000 0.857 576 E HN 0.434 nan 8.360 nan 0.000 0.505 577 R N -0.786 119.719 120.500 0.008 0.000 2.836 577 R HA 0.733 5.297 4.340 0.374 0.000 0.269 577 R C -0.322 175.976 176.300 -0.003 0.000 1.010 577 R CA 0.025 56.128 56.100 0.004 0.000 0.930 577 R CB 0.640 30.937 30.300 -0.005 0.000 1.218 577 R HN 0.134 nan 8.270 nan 0.000 0.473 578 T N 3.486 118.036 114.554 -0.007 0.000 2.771 578 T HA 0.550 5.125 4.350 0.374 0.000 0.281 578 T C -2.219 172.433 174.700 -0.079 0.000 0.982 578 T CA -1.034 61.041 62.100 -0.042 0.000 0.978 578 T CB 1.475 70.351 68.868 0.013 0.000 0.930 578 T HN 0.602 nan 8.240 nan 0.000 0.447 579 P HA 0.307 nan 4.420 nan 0.000 0.271 579 P C -0.589 176.607 177.300 -0.173 0.000 1.233 579 P CA -0.244 62.772 63.100 -0.139 0.000 0.789 579 P CB 0.450 32.053 31.700 -0.162 0.000 0.951 580 D N 0.794 121.104 120.400 -0.150 0.000 2.621 580 D HA 0.231 5.096 4.640 0.374 0.000 0.274 580 D C -0.469 175.725 176.300 -0.175 0.000 1.215 580 D CA -0.298 53.614 54.000 -0.146 0.000 0.810 580 D CB -0.534 40.224 40.800 -0.071 0.000 1.248 580 D HN 0.153 nan 8.370 nan 0.000 0.517 581 I N 1.450 121.861 120.570 -0.265 0.000 2.741 581 I HA -0.064 4.331 4.170 0.374 0.000 0.288 581 I C 1.787 177.731 176.117 -0.287 0.000 1.192 581 I CA 0.237 61.342 61.300 -0.325 0.000 1.426 581 I CB 1.182 38.871 38.000 -0.518 0.000 1.367 581 I HN 0.253 nan 8.210 nan 0.000 0.563 582 S N 6.250 121.808 115.700 -0.236 0.000 2.377 582 S HA -0.054 4.641 4.470 0.374 0.000 0.223 582 S C 0.370 174.949 174.600 -0.036 0.000 1.030 582 S CA 0.803 58.954 58.200 -0.082 0.000 0.970 582 S CB 0.027 63.271 63.200 0.073 0.000 0.830 582 S HN 0.827 nan 8.310 nan 0.000 0.473 583 H N -2.660 116.273 119.070 -0.229 0.000 2.969 583 H HA 0.319 5.099 4.556 0.374 0.000 0.304 583 H C -1.787 173.389 175.328 -0.253 0.000 1.400 583 H CA -0.990 54.935 56.048 -0.204 0.000 1.182 583 H CB -0.315 29.455 29.762 0.015 0.000 1.865 583 H HN 0.208 nan 8.280 nan 0.000 0.512 584 F N 1.465 121.484 119.950 0.115 0.000 2.399 584 F HA 0.353 5.105 4.527 0.374 0.000 0.334 584 F C -0.065 175.912 175.800 0.295 0.000 1.097 584 F CA -0.949 57.069 58.000 0.029 0.000 1.076 584 F CB 1.141 40.146 39.000 0.008 0.000 1.162 584 F HN 0.450 nan 8.300 nan 0.000 0.495 585 Y N 0.136 120.658 120.300 0.370 0.000 2.377 585 Y HA 0.800 5.574 4.550 0.374 0.000 0.339 585 Y C -1.414 174.578 175.900 0.153 0.000 1.011 585 Y CA -1.688 56.589 58.100 0.296 0.000 1.093 585 Y CB 0.938 39.575 38.460 0.296 0.000 1.201 585 Y HN 0.279 nan 8.280 nan 0.000 0.455 586 V N 3.206 123.228 119.914 0.180 0.000 2.525 586 V HA 0.635 4.980 4.120 0.374 0.000 0.299 586 V C 0.583 176.592 176.094 -0.141 0.000 1.034 586 V CA -0.551 61.780 62.300 0.051 0.000 0.863 586 V CB 0.994 32.889 31.823 0.121 0.000 0.999 586 V HN 1.338 nan 8.190 nan 0.000 0.423 587 G N 2.995 111.722 108.800 -0.121 0.000 2.198 587 G HA2 0.251 4.435 3.960 0.374 0.000 0.260 587 G HA3 0.251 4.435 3.960 0.374 0.000 0.260 587 G C 0.663 175.333 174.900 -0.383 0.000 1.025 587 G CA 0.337 45.263 45.100 -0.291 0.000 0.769 587 G HN 2.299 nan 8.290 nan 0.000 0.507 588 G N -2.569 106.107 108.800 -0.206 0.000 2.359 588 G HA2 0.306 4.490 3.960 0.374 0.000 0.303 588 G HA3 0.306 4.490 3.960 0.374 0.000 0.303 588 G C -0.033 174.767 174.900 -0.166 0.000 1.293 588 G CA 0.091 45.061 45.100 -0.216 0.000 0.964 588 G HN 0.556 nan 8.290 nan 0.000 0.531 589 Y N 0.310 120.578 120.300 -0.054 0.000 2.500 589 Y HA 0.288 5.062 4.550 0.374 0.000 0.270 589 Y C 2.005 177.899 175.900 -0.010 0.000 1.134 589 Y CA 0.512 58.566 58.100 -0.077 0.000 1.293 589 Y CB 0.420 38.788 38.460 -0.153 0.000 1.063 589 Y HN 0.426 nan 8.280 nan 0.000 0.534 590 K N 1.111 121.575 120.400 0.108 0.000 3.069 590 K HA -0.194 4.350 4.320 0.374 0.000 0.267 590 K C -1.222 175.409 176.600 0.051 0.000 1.082 590 K CA 0.544 56.870 56.287 0.065 0.000 0.782 590 K CB -0.809 31.724 32.500 0.055 0.000 1.230 590 K HN 0.246 nan 8.250 nan 0.000 0.488 591 R N -0.046 120.496 120.500 0.070 0.000 2.473 591 R HA 0.157 4.721 4.340 0.374 0.000 0.303 591 R C 1.332 177.643 176.300 0.019 0.000 1.002 591 R CA 0.241 56.351 56.100 0.017 0.000 0.884 591 R CB 1.440 31.720 30.300 -0.033 0.000 1.173 591 R HN 0.171 nan 8.270 nan 0.000 0.464 592 S N 0.951 116.658 115.700 0.011 0.000 2.420 592 S HA -0.140 4.554 4.470 0.374 0.000 0.237 592 S C 1.665 176.263 174.600 -0.003 0.000 1.023 592 S CA 1.416 59.622 58.200 0.010 0.000 0.991 592 S CB -0.045 63.158 63.200 0.006 0.000 0.792 592 S HN 0.733 nan 8.310 nan 0.000 0.488 593 G N 0.703 109.490 108.800 -0.022 0.000 2.744 593 G HA2 0.203 4.388 3.960 0.374 0.000 0.211 593 G HA3 0.203 4.388 3.960 0.374 0.000 0.211 593 G C 0.456 175.321 174.900 -0.059 0.000 1.143 593 G CA -0.040 45.036 45.100 -0.039 0.000 0.788 593 G HN 0.375 nan 8.290 nan 0.000 0.534 594 M N 1.010 120.577 119.600 -0.056 0.000 2.157 594 M HA 0.253 4.957 4.480 0.374 0.000 0.354 594 M C -1.699 174.612 176.300 0.017 0.000 1.170 594 M CA -2.763 52.496 55.300 -0.067 0.000 1.060 594 M CB 1.684 34.191 32.600 -0.155 0.000 1.615 594 M HN -0.139 nan 8.290 nan 0.000 0.460 595 P HA -0.022 nan 4.420 nan 0.000 0.233 595 P C 0.357 177.682 177.300 0.040 0.000 1.167 595 P CA 0.609 63.721 63.100 0.020 0.000 0.770 595 P CB -0.374 31.329 31.700 0.005 0.000 0.837 596 T N -1.711 112.887 114.554 0.074 0.000 2.813 596 T HA 0.253 4.828 4.350 0.374 0.000 0.297 596 T C -0.150 174.578 174.700 0.045 0.000 1.036 596 T CA -0.444 61.690 62.100 0.055 0.000 1.044 596 T CB 0.732 69.642 68.868 0.070 0.000 0.993 596 T HN -0.130 nan 8.240 nan 0.000 0.535 597 D N 0.455 120.869 120.400 0.024 0.000 2.346 597 D HA 0.255 5.119 4.640 0.374 0.000 0.255 597 D C -0.998 175.340 176.300 0.063 0.000 1.276 597 D CA -0.470 53.558 54.000 0.047 0.000 0.941 597 D CB 0.806 41.638 40.800 0.053 0.000 1.199 597 D HN 0.452 nan 8.370 nan 0.000 0.537 598 S N 3.402 119.143 115.700 0.068 0.000 2.430 598 S HA 0.385 5.080 4.470 0.374 0.000 0.289 598 S C 0.277 174.983 174.600 0.175 0.000 1.143 598 S CA -0.626 57.656 58.200 0.136 0.000 1.067 598 S CB 0.756 63.998 63.200 0.070 0.000 0.964 598 S HN 0.264 nan 8.310 nan 0.000 0.485 599 R N 2.772 123.394 120.500 0.203 0.000 2.332 599 R HA 0.459 5.023 4.340 0.374 0.000 0.306 599 R C -0.604 175.816 176.300 0.201 0.000 1.117 599 R CA -0.394 55.833 56.100 0.211 0.000 1.108 599 R CB 0.507 30.922 30.300 0.191 0.000 1.126 599 R HN 0.491 nan 8.270 nan 0.000 0.548 600 V N -1.828 118.232 119.914 0.244 0.000 3.147 600 V HA 0.597 4.942 4.120 0.374 0.000 0.306 600 V C -0.362 175.892 176.094 0.266 0.000 1.209 600 V CA -0.818 61.532 62.300 0.083 0.000 1.023 600 V CB 2.372 34.201 31.823 0.010 0.000 1.059 600 V HN 0.319 nan 8.190 nan 0.000 0.435 601 T N 1.982 116.638 114.554 0.170 0.000 2.824 601 T HA 0.739 5.313 4.350 0.374 0.000 0.280 601 T C -0.567 174.246 174.700 0.189 0.000 0.995 601 T CA -0.367 61.863 62.100 0.217 0.000 1.009 601 T CB 1.510 70.541 68.868 0.272 0.000 0.955 601 T HN 0.807 nan 8.240 nan 0.000 0.452 602 V N 4.817 124.874 119.914 0.239 0.000 2.540 602 V HA 0.515 4.860 4.120 0.374 0.000 0.302 602 V C -0.365 175.938 176.094 0.349 0.000 1.035 602 V CA -1.039 61.458 62.300 0.328 0.000 0.873 602 V CB 1.811 33.946 31.823 0.519 0.000 0.992 602 V HN 0.810 nan 8.190 nan 0.000 0.428 603 N N 3.105 121.983 118.700 0.297 0.000 2.272 603 N HA 0.412 5.376 4.740 0.374 0.000 0.305 603 N C -0.470 175.206 175.510 0.277 0.000 1.103 603 N CA -0.714 52.515 53.050 0.298 0.000 0.791 603 N CB 1.748 40.362 38.487 0.212 0.000 1.356 603 N HN 0.806 nan 8.380 nan 0.000 0.486 604 N N -0.529 118.328 118.700 0.262 0.000 2.608 604 N HA -0.159 4.806 4.740 0.374 0.000 0.273 604 N C -1.133 174.529 175.510 0.254 0.000 1.133 604 N CA -0.038 53.190 53.050 0.298 0.000 0.726 604 N CB -0.651 38.047 38.487 0.351 0.000 0.890 604 N HN 0.210 nan 8.380 nan 0.000 0.548 605 V N 2.218 122.161 119.914 0.048 0.000 2.432 605 V HA 0.369 4.713 4.120 0.374 0.000 0.271 605 V C 0.657 176.853 176.094 0.169 0.000 1.046 605 V CA -0.172 62.115 62.300 -0.022 0.000 0.945 605 V CB 1.107 32.706 31.823 -0.372 0.000 0.992 605 V HN 0.238 nan 8.190 nan 0.000 0.471 606 L N 5.697 127.019 121.223 0.165 0.000 2.346 606 L HA 0.666 5.230 4.340 0.374 0.000 0.274 606 L C -0.710 176.199 176.870 0.066 0.000 1.007 606 L CA -0.693 54.215 54.840 0.114 0.000 0.818 606 L CB 1.947 44.020 42.059 0.023 0.000 1.284 606 L HN 0.493 nan 8.230 nan 0.000 0.424 607 L N 2.840 124.026 121.223 -0.062 0.000 2.349 607 L HA 0.553 5.117 4.340 0.374 0.000 0.278 607 L C -1.424 175.262 176.870 -0.307 0.000 0.996 607 L CA 0.013 54.739 54.840 -0.190 0.000 0.825 607 L CB 1.070 42.832 42.059 -0.495 0.000 1.243 607 L HN 0.278 nan 8.230 nan 0.000 0.412 608 Y N 2.552 122.787 120.300 -0.107 0.000 2.457 608 Y HA 0.371 5.145 4.550 0.374 0.000 0.333 608 Y C 0.913 176.728 175.900 -0.142 0.000 1.119 608 Y CA -0.648 57.356 58.100 -0.160 0.000 1.143 608 Y CB 1.263 39.648 38.460 -0.125 0.000 1.230 608 Y HN 0.722 nan 8.280 nan 0.000 0.469 609 N N 1.753 120.287 118.700 -0.278 0.000 2.375 609 N HA 0.076 5.040 4.740 0.374 0.000 0.220 609 N C -0.559 174.891 175.510 -0.101 0.000 1.170 609 N CA -0.299 52.445 53.050 -0.510 0.000 0.833 609 N CB -0.066 37.635 38.487 -1.311 0.000 1.069 609 N HN 0.752 nan 8.380 nan 0.000 0.479 610 R N -2.253 118.255 120.500 0.013 0.000 2.733 610 R HA 0.272 4.836 4.340 0.374 0.000 0.272 610 R C -1.332 174.948 176.300 -0.034 0.000 1.029 610 R CA -0.934 55.164 56.100 -0.002 0.000 0.888 610 R CB 0.646 30.921 30.300 -0.043 0.000 1.251 610 R HN 0.087 nan 8.270 nan 0.000 0.464 611 Q N 2.126 121.886 119.800 -0.067 0.000 2.296 611 Q HA 0.236 4.801 4.340 0.374 0.000 0.263 611 Q C -0.612 175.301 176.000 -0.144 0.000 1.026 611 Q CA -0.404 55.334 55.803 -0.109 0.000 0.912 611 Q CB 0.733 29.419 28.738 -0.087 0.000 1.198 611 Q HN 0.488 nan 8.270 nan 0.000 0.407 612 L N 3.798 124.891 121.223 -0.216 0.000 2.483 612 L HA 0.040 4.604 4.340 0.374 0.000 0.276 612 L C 0.697 177.442 176.870 -0.208 0.000 1.213 612 L CA -0.338 54.335 54.840 -0.279 0.000 0.843 612 L CB 0.092 41.915 42.059 -0.394 0.000 1.107 612 L HN 0.825 nan 8.230 nan 0.000 0.487 613 N N 1.550 120.141 118.700 -0.181 0.000 2.405 613 N HA 0.254 5.218 4.740 0.374 0.000 0.269 613 N C 0.578 175.998 175.510 -0.150 0.000 1.249 613 N CA -0.038 52.934 53.050 -0.130 0.000 0.974 613 N CB 0.531 38.963 38.487 -0.092 0.000 1.204 613 N HN 0.571 nan 8.380 nan 0.000 0.565 614 A N -0.553 122.207 122.820 -0.100 0.000 1.908 614 A HA -0.246 4.298 4.320 0.374 0.000 0.218 614 A C 2.021 179.550 177.584 -0.091 0.000 1.181 614 A CA 1.987 53.970 52.037 -0.091 0.000 0.627 614 A CB -1.220 17.765 19.000 -0.025 0.000 0.818 614 A HN 0.912 nan 8.150 nan 0.000 0.445 615 E N -0.122 120.033 120.200 -0.075 0.000 2.047 615 E HA -0.220 4.355 4.350 0.374 0.000 0.191 615 E C 1.888 178.438 176.600 -0.083 0.000 0.987 615 E CA 1.373 57.736 56.400 -0.062 0.000 0.799 615 E CB -0.180 29.489 29.700 -0.051 0.000 0.752 615 E HN 0.743 nan 8.360 nan 0.000 0.449 616 E N 0.459 120.589 120.200 -0.117 0.000 2.077 616 E HA -0.191 4.383 4.350 0.374 0.000 0.193 616 E C 2.241 178.753 176.600 -0.147 0.000 0.989 616 E CA 1.314 57.628 56.400 -0.144 0.000 0.800 616 E CB -0.141 29.437 29.700 -0.203 0.000 0.746 616 E HN 0.378 nan 8.360 nan 0.000 0.452 617 I N 0.769 121.230 120.570 -0.182 0.000 2.127 617 I HA -0.305 4.089 4.170 0.374 0.000 0.241 617 I C 2.693 178.772 176.117 -0.063 0.000 1.075 617 I CA 1.213 62.407 61.300 -0.177 0.000 1.334 617 I CB -0.166 37.601 38.000 -0.389 0.000 1.040 617 I HN 0.000 nan 8.210 nan 0.000 0.405 618 R N 0.729 121.198 120.500 -0.052 0.000 2.091 618 R HA -0.168 4.396 4.340 0.374 0.000 0.238 618 R C 2.167 178.488 176.300 0.035 0.000 1.136 618 R CA 2.247 58.371 56.100 0.041 0.000 0.959 618 R CB -0.742 29.580 30.300 0.036 0.000 0.856 618 R HN 0.268 nan 8.270 nan 0.000 0.437 619 T N 0.784 115.322 114.554 -0.027 0.000 2.788 619 T HA -0.083 4.492 4.350 0.374 0.000 0.268 619 T C 1.673 176.324 174.700 -0.082 0.000 1.044 619 T CA 1.427 63.496 62.100 -0.052 0.000 1.139 619 T CB -0.135 68.698 68.868 -0.058 0.000 0.867 619 T HN 0.157 nan 8.240 nan 0.000 0.454 620 L N 0.010 121.191 121.223 -0.070 0.000 2.093 620 L HA 0.002 4.566 4.340 0.374 0.000 0.208 620 L C 2.262 178.907 176.870 -0.375 0.000 1.085 620 L CA 1.165 55.949 54.840 -0.093 0.000 0.755 620 L CB -0.500 41.605 42.059 0.076 0.000 0.904 620 L HN 0.237 nan 8.230 nan 0.000 0.435 621 F N 0.888 120.449 119.950 -0.648 0.000 2.102 621 F HA -0.213 4.538 4.527 0.374 0.000 0.298 621 F C 2.079 177.666 175.800 -0.355 0.000 1.105 621 F CA 1.566 59.073 58.000 -0.821 0.000 1.239 621 F CB -0.404 38.387 39.000 -0.348 0.000 0.991 621 F HN -0.128 nan 8.300 nan 0.000 0.474 622 L N 0.325 121.218 121.223 -0.550 0.000 2.265 622 L HA -0.141 4.423 4.340 0.374 0.000 0.215 622 L C 2.070 178.732 176.870 -0.347 0.000 1.117 622 L CA 1.343 55.864 54.840 -0.531 0.000 0.782 622 L CB -0.838 41.073 42.059 -0.246 0.000 0.914 622 L HN 0.401 nan 8.230 nan 0.000 0.441 623 S N -2.313 113.233 115.700 -0.257 0.000 2.575 623 S HA 0.079 4.773 4.470 0.374 0.000 0.237 623 S C 1.378 175.912 174.600 -0.109 0.000 0.975 623 S CA -0.510 57.598 58.200 -0.154 0.000 0.960 623 S CB 0.369 63.507 63.200 -0.104 0.000 0.822 623 S HN 0.336 nan 8.310 nan 0.000 0.472 624 Q N 1.870 121.580 119.800 -0.150 0.000 2.062 624 Q HA -0.198 4.366 4.340 0.374 0.000 0.209 624 Q C 1.054 177.071 176.000 0.029 0.000 0.996 624 Q CA 2.197 57.983 55.803 -0.028 0.000 0.859 624 Q CB -0.266 28.460 28.738 -0.020 0.000 0.920 624 Q HN 0.693 nan 8.270 nan 0.000 0.415 625 D N -0.155 120.240 120.400 -0.007 0.000 2.347 625 D HA -0.056 4.809 4.640 0.374 0.000 0.215 625 D C 1.525 177.855 176.300 0.050 0.000 0.976 625 D CA 0.661 54.677 54.000 0.026 0.000 0.884 625 D CB 0.223 41.022 40.800 -0.003 0.000 0.915 625 D HN 0.299 nan 8.370 nan 0.000 0.526 626 L N 0.869 122.111 121.223 0.032 0.000 2.529 626 L HA 0.132 4.696 4.340 0.374 0.000 0.223 626 L C 2.329 179.262 176.870 0.105 0.000 1.113 626 L CA 0.218 55.090 54.840 0.054 0.000 0.861 626 L CB -0.103 41.955 42.059 -0.002 0.000 1.012 626 L HN 0.035 nan 8.230 nan 0.000 0.461 627 I N -2.972 117.681 120.570 0.137 0.000 3.860 627 I HA 0.301 4.695 4.170 0.374 0.000 0.319 627 I C 1.196 177.586 176.117 0.454 0.000 1.279 627 I CA -0.269 61.159 61.300 0.213 0.000 1.220 627 I CB -0.499 37.572 38.000 0.118 0.000 1.027 627 I HN -0.001 nan 8.210 nan 0.000 0.428 628 G N 1.689 110.708 108.800 0.364 0.000 2.491 628 G HA2 0.193 4.377 3.960 0.374 0.000 0.238 628 G HA3 0.193 4.377 3.960 0.374 0.000 0.238 628 G C 0.986 176.083 174.900 0.328 0.000 1.277 628 G CA 0.419 45.713 45.100 0.324 0.000 0.851 628 G HN 0.432 nan 8.290 nan 0.000 0.573 629 T N -1.526 113.096 114.554 0.114 0.000 3.129 629 T HA 0.046 4.621 4.350 0.374 0.000 0.251 629 T C 1.534 176.281 174.700 0.077 0.000 1.117 629 T CA 0.960 63.068 62.100 0.013 0.000 1.034 629 T CB 0.098 68.692 68.868 -0.457 0.000 0.968 629 T HN 0.654 nan 8.240 nan 0.000 0.526 630 E N 1.495 121.680 120.200 -0.024 0.000 2.058 630 E HA -0.153 4.421 4.350 0.374 0.000 0.194 630 E C 2.301 178.757 176.600 -0.239 0.000 0.997 630 E CA 1.288 57.481 56.400 -0.346 0.000 0.801 630 E CB -0.414 28.965 29.700 -0.536 0.000 0.746 630 E HN 0.679 nan 8.360 nan 0.000 0.450 631 A N 0.109 122.812 122.820 -0.195 0.000 2.014 631 A HA -0.036 4.509 4.320 0.374 0.000 0.218 631 A C 0.530 177.822 177.584 -0.487 0.000 1.163 631 A CA 0.830 52.647 52.037 -0.366 0.000 0.652 631 A CB -0.358 18.373 19.000 -0.448 0.000 0.808 631 A HN 0.293 nan 8.150 nan 0.000 0.449 632 H N 0.000 119.102 119.070 0.054 0.000 2.539 632 H HA 0.000 4.780 4.556 0.374 0.000 0.296 632 H CA 0.000 56.072 56.048 0.041 0.000 1.023 632 H CB 0.000 29.780 29.762 0.031 0.000 1.292 632 H HN 0.000 nan 8.280 nan 0.000 0.496