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 3eqn_1_B DATA FIRST_RESID 1 DATA SEQUENCE LGSTcSSPLT HGSAAPGDPF WLQNIQHQGI AAFNGNPGGY PVFRNVKNYG DATA SEQUENCE AKGDGNTDDT AAIQAAINAG GRCGQGCDST TTQPALVYFP PGTYKVSSPL DATA SEQUENCE VVLYQTQLIG DAKNLPTLLA APNFSGIALI DADPYLAGGA QYYVNQNNFF DATA SEQUENCE RSVRNFVIDL RQVSGSATGI HWQVSQATSL INIVFQMSTA AGNQHQGIFM DATA SEQUENCE ENGSGGFLGD LVFNGGNIGA TFGNQQFTVR NLTFNNANTA INAIWNWGWT DATA SEQUENCE FQRITINNCQ VGFDLTQGGT SNTGAQGVGA EAIIDAVVTN TQTFVRWSGA DATA SEQUENCE SSGHLQGSLV LNNIQLTNVP VAVGVKGGPT VLAGGTTTIN SWAQGNVYHG DATA SEQUENCE TNGNPTFTQG NIANINRPGV LLDSTGRIVS KSHPQYTGYA PSDFVSVRSQ DATA SEQUENCE GAKGDGHTDD TQAIKNVFAK YAGcKIIFFD AGTYIVTDTI QIPAGTQIVG DATA SEQUENCE EVWSVIMGTG SKFTDYNNPQ PVIQVGAPGS SGVVEITDMI FTTRGPAAGA DATA SEQUENCE IIVEWNVHDP SGQQAAAGAW DTHLIIGGTA QSGLQVGQcP TSGAGGNNcF DATA SEQUENCE ADFLGLHLTS GSSAYLEGMW VWLADHDLDS GGSQQISLWS NGGIMSESQG DATA SEQUENCE PVWLIGTASE HHINYQYFLK NAANHYIGLA QTETPYFQPN PNPPAPFITN DATA SEQUENCE SNFDPSQLGQ GDAWAMTVQN SHGILVFGAG FYSFFSAYNT GcQSPQNcQN DATA SEQUENCE QIVNVDSSSD IAFYSLTTVD TTWQFSVNAQ GVINRSNNPN GFADTITAWT DATA SEQUENCE RN 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 0.000 176.861 176.870 -0.015 0.000 1.165 1 L CA 0.000 54.836 54.840 -0.007 0.000 0.813 1 L CB 0.000 42.053 42.059 -0.009 0.000 0.961 2 G N 1.355 110.147 108.800 -0.013 0.000 2.484 2 G HA2 0.315 4.277 3.960 0.003 0.000 0.235 2 G HA3 0.315 4.277 3.960 0.003 0.000 0.235 2 G C 0.957 175.801 174.900 -0.092 0.000 1.282 2 G CA 0.243 45.313 45.100 -0.049 0.000 0.857 2 G HN 1.163 nan 8.290 nan 0.000 0.571 3 S N 0.076 115.700 115.700 -0.127 0.000 2.469 3 S HA -0.175 4.297 4.470 0.003 0.000 0.238 3 S C 2.097 176.610 174.600 -0.144 0.000 0.998 3 S CA 1.633 59.760 58.200 -0.121 0.000 0.957 3 S CB -0.466 62.664 63.200 -0.115 0.000 0.764 3 S HN 0.918 nan 8.310 nan 0.000 0.514 4 T N -0.806 113.617 114.554 -0.219 0.000 3.113 4 T HA 0.205 4.557 4.350 0.003 0.000 0.256 4 T C 0.910 175.552 174.700 -0.095 0.000 1.131 4 T CA 0.131 62.116 62.100 -0.191 0.000 1.074 4 T CB -1.291 67.387 68.868 -0.318 0.000 0.944 4 T HN 0.773 nan 8.240 nan 0.000 0.516 5 c N -1.069 117.486 118.600 -0.075 0.000 2.994 5 c HA 0.853 5.424 4.570 0.003 0.000 0.304 5 c C 1.239 175.308 174.090 -0.035 0.000 1.273 5 c CA -0.597 55.707 56.329 -0.042 0.000 1.537 5 c CB 1.570 44.064 42.510 -0.027 0.000 2.001 5 c HN 0.100 nan 8.230 nan 0.000 0.471 6 S N 0.262 115.946 115.700 -0.026 0.000 2.502 6 S HA 0.284 4.756 4.470 0.003 0.000 0.215 6 S C 0.569 175.161 174.600 -0.013 0.000 1.009 6 S CA 0.434 58.622 58.200 -0.020 0.000 0.908 6 S CB 0.046 63.236 63.200 -0.017 0.000 0.801 6 S HN 0.953 nan 8.310 nan 0.000 0.505 7 S N 1.459 117.151 115.700 -0.013 0.000 2.546 7 S HA 0.615 5.087 4.470 0.003 0.000 0.274 7 S C -3.023 171.572 174.600 -0.008 0.000 1.121 7 S CA -1.567 56.630 58.200 -0.006 0.000 0.887 7 S CB 1.174 64.373 63.200 -0.002 0.000 1.094 7 S HN -0.098 nan 8.310 nan 0.000 0.474 8 P HA 0.271 nan 4.420 nan 0.000 0.275 8 P C -0.972 176.322 177.300 -0.010 0.000 1.228 8 P CA -0.639 62.461 63.100 0.001 0.000 0.786 8 P CB 0.292 32.001 31.700 0.016 0.000 0.927 9 L N 3.064 124.273 121.223 -0.024 0.000 2.433 9 L HA 0.181 4.523 4.340 0.003 0.000 0.275 9 L C 1.013 177.884 176.870 0.002 0.000 1.128 9 L CA 1.044 55.850 54.840 -0.056 0.000 0.875 9 L CB -0.243 41.778 42.059 -0.063 0.000 1.171 9 L HN 0.548 nan 8.230 nan 0.000 0.463 10 T N 0.484 115.036 114.554 -0.004 0.000 3.003 10 T HA 0.283 4.634 4.350 0.003 0.000 0.261 10 T C 0.289 175.110 174.700 0.201 0.000 1.003 10 T CA 0.355 62.529 62.100 0.124 0.000 0.917 10 T CB -0.315 68.650 68.868 0.161 0.000 1.084 10 T HN 0.740 nan 8.240 nan 0.000 0.522 11 H N -1.116 117.926 119.070 -0.046 0.000 3.042 11 H HA 0.606 5.164 4.556 0.003 0.000 0.346 11 H C -0.206 174.706 175.328 -0.694 0.000 1.294 11 H CA -1.048 54.865 56.048 -0.225 0.000 1.141 11 H CB 1.123 30.808 29.762 -0.129 0.000 1.872 11 H HN 0.148 nan 8.280 nan 0.000 0.541 12 G N -0.257 107.853 108.800 -1.150 0.000 2.569 12 G HA2 0.301 4.262 3.960 0.003 0.000 0.249 12 G HA3 0.301 4.262 3.960 0.003 0.000 0.249 12 G C 0.037 174.678 174.900 -0.432 0.000 1.216 12 G CA -0.221 44.138 45.100 -1.234 0.000 0.845 12 G HN 0.539 nan 8.290 nan 0.000 0.568 13 S N 0.155 115.678 115.700 -0.294 0.000 2.556 13 S HA 0.356 4.827 4.470 0.003 0.000 0.216 13 S C 1.208 175.789 174.600 -0.033 0.000 0.970 13 S CA 0.136 58.259 58.200 -0.128 0.000 0.912 13 S CB 0.359 63.489 63.200 -0.116 0.000 0.790 13 S HN 0.951 nan 8.310 nan 0.000 0.504 14 A N 1.854 124.676 122.820 0.003 0.000 2.425 14 A HA 0.699 5.021 4.320 0.003 0.000 0.249 14 A C 0.553 178.172 177.584 0.058 0.000 1.084 14 A CA -0.372 51.704 52.037 0.065 0.000 0.781 14 A CB 0.025 19.109 19.000 0.141 0.000 1.019 14 A HN 0.459 nan 8.150 nan 0.000 0.490 15 A N 3.690 126.544 122.820 0.057 0.000 2.425 15 A HA 0.533 4.854 4.320 0.003 0.000 0.249 15 A C -1.286 176.338 177.584 0.067 0.000 1.084 15 A CA -1.170 50.898 52.037 0.051 0.000 0.781 15 A CB -0.236 18.788 19.000 0.041 0.000 1.019 15 A HN 0.614 nan 8.150 nan 0.000 0.490 16 P HA -0.160 nan 4.420 nan 0.000 0.217 16 P C 1.454 178.795 177.300 0.068 0.000 1.151 16 P CA 2.014 65.153 63.100 0.065 0.000 0.849 16 P CB 0.161 31.888 31.700 0.045 0.000 0.787 17 G N -1.483 107.350 108.800 0.056 0.000 2.848 17 G HA2 -0.067 3.894 3.960 0.003 0.000 0.208 17 G HA3 -0.067 3.894 3.960 0.003 0.000 0.208 17 G C 0.124 175.065 174.900 0.068 0.000 1.152 17 G CA -0.027 45.106 45.100 0.055 0.000 0.789 17 G HN 0.199 nan 8.290 nan 0.000 0.531 18 D N 1.415 121.864 120.400 0.082 0.000 2.372 18 D HA 0.249 4.891 4.640 0.003 0.000 0.243 18 D C -1.891 174.484 176.300 0.125 0.000 1.121 18 D CA -1.344 52.712 54.000 0.093 0.000 0.898 18 D CB 1.349 42.208 40.800 0.098 0.000 1.202 18 D HN 0.086 nan 8.370 nan 0.000 0.428 19 P HA 0.011 nan 4.420 nan 0.000 0.270 19 P C 0.113 177.548 177.300 0.225 0.000 1.223 19 P CA -0.527 62.676 63.100 0.172 0.000 0.785 19 P CB 0.386 32.181 31.700 0.158 0.000 0.923 20 F N 3.209 123.211 119.950 0.088 0.000 2.635 20 F HA -0.098 4.430 4.527 0.003 0.000 0.379 20 F C 1.858 177.631 175.800 -0.045 0.000 1.094 20 F CA -0.487 57.535 58.000 0.038 0.000 1.300 20 F CB 0.050 39.046 39.000 -0.005 0.000 1.035 20 F HN 0.501 nan 8.300 nan 0.000 0.581 21 W N 5.321 126.298 121.300 -0.538 0.000 2.331 21 W HA -0.278 4.384 4.660 0.002 0.000 0.291 21 W C 1.428 177.528 176.519 -0.699 0.000 1.214 21 W CA 0.945 57.962 57.345 -0.547 0.000 1.228 21 W CB -1.326 27.839 29.460 -0.492 0.000 1.135 21 W HN 0.557 nan 8.180 nan 0.000 0.537 22 L N 1.929 122.178 121.223 -1.623 0.000 2.265 22 L HA -0.186 4.156 4.340 0.003 0.000 0.215 22 L C 2.946 179.334 176.870 -0.805 0.000 1.117 22 L CA 2.217 56.276 54.840 -1.301 0.000 0.782 22 L CB -1.079 40.158 42.059 -1.370 0.000 0.914 22 L HN 0.163 nan 8.230 nan 0.000 0.441 23 Q N -0.818 118.598 119.800 -0.641 0.000 2.050 23 Q HA -0.189 4.152 4.340 0.003 0.000 0.202 23 Q C 1.054 176.968 176.000 -0.144 0.000 0.980 23 Q CA 1.803 57.419 55.803 -0.311 0.000 0.840 23 Q CB 0.119 28.902 28.738 0.075 0.000 0.898 23 Q HN 0.544 nan 8.270 nan 0.000 0.424 24 N N -0.206 118.365 118.700 -0.215 0.000 2.205 24 N HA 0.145 4.886 4.740 0.003 0.000 0.201 24 N C 0.088 175.365 175.510 -0.388 0.000 1.128 24 N CA -0.085 52.836 53.050 -0.214 0.000 0.867 24 N CB 0.549 38.972 38.487 -0.107 0.000 0.996 24 N HN 0.248 nan 8.380 nan 0.000 0.503 25 I N 1.520 121.781 120.570 -0.515 0.000 2.872 25 I HA -0.117 4.054 4.170 0.003 0.000 0.291 25 I C 0.663 176.249 176.117 -0.885 0.000 1.216 25 I CA -0.063 60.861 61.300 -0.626 0.000 1.424 25 I CB 0.721 38.286 38.000 -0.725 0.000 1.351 25 I HN 0.041 nan 8.210 nan 0.000 0.592 26 Q N 5.687 125.130 119.800 -0.594 0.000 2.315 26 Q HA -0.010 4.332 4.340 0.003 0.000 0.289 26 Q C -1.012 174.670 176.000 -0.530 0.000 1.044 26 Q CA 0.264 55.765 55.803 -0.504 0.000 0.920 26 Q CB 0.327 28.920 28.738 -0.242 0.000 1.214 26 Q HN 0.502 nan 8.270 nan 0.000 0.392 27 H N 3.854 122.824 119.070 -0.167 0.000 2.685 27 H HA 0.152 4.709 4.556 0.003 0.000 0.286 27 H C -0.252 175.082 175.328 0.010 0.000 1.102 27 H CA -0.080 55.891 56.048 -0.128 0.000 1.254 27 H CB 0.685 30.296 29.762 -0.252 0.000 1.397 27 H HN 0.625 nan 8.280 nan 0.000 0.473 28 Q N 1.747 121.647 119.800 0.166 0.000 2.112 28 Q HA 0.209 4.551 4.340 0.003 0.000 0.222 28 Q C 1.014 177.105 176.000 0.151 0.000 0.798 28 Q CA -0.508 55.374 55.803 0.132 0.000 1.060 28 Q CB 1.532 30.326 28.738 0.092 0.000 1.184 28 Q HN 0.601 nan 8.270 nan 0.000 0.475 29 G N 2.238 111.158 108.800 0.200 0.000 2.432 29 G HA2 0.340 4.301 3.960 0.003 0.000 0.239 29 G HA3 0.340 4.301 3.960 0.003 0.000 0.239 29 G C 0.085 175.081 174.900 0.161 0.000 1.291 29 G CA -0.163 45.052 45.100 0.192 0.000 0.863 29 G HN 0.347 nan 8.290 nan 0.000 0.560 30 I N -0.664 119.975 120.570 0.116 0.000 2.608 30 I HA 0.738 4.909 4.170 0.003 0.000 0.295 30 I C -0.023 176.133 176.117 0.065 0.000 1.049 30 I CA -1.484 59.869 61.300 0.088 0.000 1.063 30 I CB 2.533 40.545 38.000 0.019 0.000 1.248 30 I HN 0.512 nan 8.210 nan 0.000 0.424 31 A N 4.259 127.120 122.820 0.069 0.000 2.506 31 A HA 0.672 4.994 4.320 0.003 0.000 0.320 31 A C 1.171 178.670 177.584 -0.142 0.000 1.424 31 A CA 0.060 52.074 52.037 -0.039 0.000 1.044 31 A CB 0.401 19.299 19.000 -0.171 0.000 1.140 31 A HN 1.108 nan 8.150 nan 0.000 0.538 32 A N 2.076 124.721 122.820 -0.291 0.000 1.940 32 A HA -0.025 4.296 4.320 0.003 0.000 0.219 32 A C 0.927 178.247 177.584 -0.440 0.000 1.176 32 A CA 1.585 53.307 52.037 -0.524 0.000 0.631 32 A CB -0.451 17.943 19.000 -1.011 0.000 0.814 32 A HN 0.776 nan 8.150 nan 0.000 0.446 33 F N -0.102 119.852 119.950 0.007 0.000 2.647 33 F HA 0.268 4.797 4.527 0.003 0.000 0.300 33 F C 0.713 176.488 175.800 -0.041 0.000 1.106 33 F CA -1.389 56.616 58.000 0.007 0.000 1.313 33 F CB -0.686 38.319 39.000 0.008 0.000 1.007 33 F HN 0.167 nan 8.300 nan 0.000 0.536 34 N N 1.009 119.712 118.700 0.004 0.000 2.415 34 N HA -0.002 4.740 4.740 0.003 0.000 0.248 34 N C 1.561 177.065 175.510 -0.010 0.000 1.271 34 N CA 0.732 53.722 53.050 -0.100 0.000 0.913 34 N CB 1.410 39.722 38.487 -0.292 0.000 1.129 34 N HN 0.350 nan 8.380 nan 0.000 0.444 35 G N 1.269 110.060 108.800 -0.016 0.000 2.448 35 G HA2 -0.229 3.732 3.960 0.003 0.000 0.219 35 G HA3 -0.229 3.732 3.960 0.003 0.000 0.219 35 G C 0.673 175.598 174.900 0.043 0.000 1.127 35 G CA 0.638 45.754 45.100 0.025 0.000 0.766 35 G HN 0.683 nan 8.290 nan 0.000 0.552 36 N N -0.543 118.186 118.700 0.049 0.000 2.726 36 N HA 0.320 5.062 4.740 0.003 0.000 0.253 36 N C -2.046 173.526 175.510 0.103 0.000 1.530 36 N CA -1.769 51.330 53.050 0.080 0.000 0.772 36 N CB 1.527 40.075 38.487 0.101 0.000 1.220 36 N HN -0.174 nan 8.380 nan 0.000 0.508 37 P HA -0.023 nan 4.420 nan 0.000 0.216 37 P C 1.248 178.611 177.300 0.106 0.000 1.150 37 P CA 1.067 64.213 63.100 0.075 0.000 0.837 37 P CB 0.192 31.915 31.700 0.039 0.000 0.786 38 G N -1.174 107.679 108.800 0.089 0.000 2.650 38 G HA2 -0.024 3.938 3.960 0.003 0.000 0.214 38 G HA3 -0.024 3.938 3.960 0.003 0.000 0.214 38 G C 1.380 176.338 174.900 0.096 0.000 1.136 38 G CA 0.724 45.874 45.100 0.082 0.000 0.789 38 G HN 0.420 nan 8.290 nan 0.000 0.536 39 G N -1.371 107.502 108.800 0.122 0.000 3.079 39 G HA2 0.239 4.201 3.960 0.003 0.000 0.233 39 G HA3 0.239 4.201 3.960 0.003 0.000 0.233 39 G C -0.195 174.796 174.900 0.151 0.000 1.062 39 G CA -0.413 44.757 45.100 0.118 0.000 0.809 39 G HN 0.295 nan 8.290 nan 0.000 0.535 40 Y N 3.425 123.763 120.300 0.063 0.000 2.367 40 Y HA 0.513 5.065 4.550 0.003 0.000 0.342 40 Y C -2.153 173.799 175.900 0.086 0.000 0.979 40 Y CA -2.709 55.433 58.100 0.071 0.000 1.161 40 Y CB 1.643 40.139 38.460 0.060 0.000 1.155 40 Y HN -0.060 nan 8.280 nan 0.000 0.503 41 P HA 0.093 nan 4.420 nan 0.000 0.286 41 P C 0.088 177.305 177.300 -0.138 0.000 1.269 41 P CA -0.152 62.888 63.100 -0.100 0.000 0.787 41 P CB 2.344 34.015 31.700 -0.048 0.000 0.920 42 V N 3.225 123.215 119.914 0.127 0.000 2.446 42 V HA -0.034 4.087 4.120 0.003 0.000 0.244 42 V C 1.087 177.292 176.094 0.185 0.000 1.039 42 V CA 1.008 63.435 62.300 0.212 0.000 1.045 42 V CB -0.755 31.244 31.823 0.293 0.000 0.681 42 V HN 0.469 nan 8.190 nan 0.000 0.459 43 F N 1.788 121.761 119.950 0.038 0.000 2.404 43 F HA 0.629 5.157 4.527 0.003 0.000 0.345 43 F C 0.263 176.033 175.800 -0.051 0.000 1.110 43 F CA -0.777 57.203 58.000 -0.032 0.000 1.130 43 F CB 0.669 39.569 39.000 -0.166 0.000 1.129 43 F HN -0.066 nan 8.300 nan 0.000 0.500 44 R N 4.064 124.258 120.500 -0.511 0.000 2.473 44 R HA 0.216 4.558 4.340 0.003 0.000 0.303 44 R C -1.029 175.015 176.300 -0.427 0.000 1.002 44 R CA -0.829 55.121 56.100 -0.251 0.000 0.884 44 R CB 0.814 30.960 30.300 -0.257 0.000 1.173 44 R HN 0.501 nan 8.270 nan 0.000 0.464 45 N N 2.859 121.477 118.700 -0.137 0.000 2.430 45 N HA -0.016 4.726 4.740 0.003 0.000 0.265 45 N C 1.268 176.780 175.510 0.003 0.000 1.100 45 N CA -0.101 52.933 53.050 -0.026 0.000 0.961 45 N CB 1.440 40.061 38.487 0.223 0.000 1.075 45 N HN 0.469 nan 8.380 nan 0.000 0.478 46 V N 3.169 122.938 119.914 -0.241 0.000 2.380 46 V HA -0.236 3.886 4.120 0.003 0.000 0.251 46 V C 1.855 177.944 176.094 -0.009 0.000 1.063 46 V CA 1.527 63.672 62.300 -0.259 0.000 1.055 46 V CB -0.562 30.812 31.823 -0.747 0.000 0.657 46 V HN 0.577 nan 8.190 nan 0.000 0.455 47 K N 0.905 121.325 120.400 0.033 0.000 2.209 47 K HA -0.097 4.225 4.320 0.003 0.000 0.204 47 K C 1.898 178.530 176.600 0.054 0.000 1.048 47 K CA 1.795 58.135 56.287 0.088 0.000 0.940 47 K CB -0.446 32.122 32.500 0.113 0.000 0.729 47 K HN 0.688 nan 8.250 nan 0.000 0.451 48 N N -0.361 118.361 118.700 0.037 0.000 2.512 48 N HA -0.101 4.640 4.740 0.003 0.000 0.183 48 N C 0.341 175.682 175.510 -0.281 0.000 1.073 48 N CA 0.527 53.516 53.050 -0.102 0.000 0.911 48 N CB 0.151 38.559 38.487 -0.132 0.000 0.964 48 N HN 0.200 nan 8.380 nan 0.000 0.447 49 Y N -0.725 119.553 120.300 -0.036 0.000 2.636 49 Y HA 0.315 4.867 4.550 0.003 0.000 0.260 49 Y C 1.385 177.274 175.900 -0.018 0.000 1.177 49 Y CA -0.309 57.770 58.100 -0.036 0.000 1.209 49 Y CB 0.905 39.326 38.460 -0.065 0.000 1.166 49 Y HN 0.022 nan 8.280 nan 0.000 0.531 50 G N -0.080 108.769 108.800 0.081 0.000 2.176 50 G HA2 -0.196 3.765 3.960 0.003 0.000 0.232 50 G HA3 -0.196 3.765 3.960 0.003 0.000 0.232 50 G C 0.321 175.270 174.900 0.083 0.000 0.986 50 G CA -0.249 44.891 45.100 0.066 0.000 0.643 50 G HN 0.566 nan 8.290 nan 0.000 0.522 51 A N 0.270 123.155 122.820 0.109 0.000 2.488 51 A HA 0.637 4.959 4.320 0.003 0.000 0.249 51 A C 1.417 179.093 177.584 0.154 0.000 1.083 51 A CA 0.826 52.962 52.037 0.165 0.000 0.768 51 A CB 0.462 19.595 19.000 0.222 0.000 1.017 51 A HN 0.154 nan 8.150 nan 0.000 0.496 52 K N 2.128 122.588 120.400 0.101 0.000 2.166 52 K HA 0.085 4.406 4.320 0.003 0.000 0.201 52 K C 1.359 177.901 176.600 -0.097 0.000 1.052 52 K CA 0.996 57.292 56.287 0.016 0.000 0.969 52 K CB -0.257 32.242 32.500 -0.001 0.000 0.761 52 K HN 1.618 nan 8.250 nan 0.000 0.459 53 G N 3.706 112.344 108.800 -0.271 0.000 2.249 53 G HA2 -0.250 3.712 3.960 0.003 0.000 0.273 53 G HA3 -0.250 3.712 3.960 0.003 0.000 0.273 53 G C 0.087 174.750 174.900 -0.395 0.000 1.036 53 G CA 0.913 45.546 45.100 -0.779 0.000 0.824 53 G HN 0.477 nan 8.290 nan 0.000 0.504 54 D N -1.560 118.715 120.400 -0.208 0.000 2.369 54 D HA 0.377 5.018 4.640 0.003 0.000 0.211 54 D C 1.844 178.089 176.300 -0.093 0.000 1.077 54 D CA 0.510 54.436 54.000 -0.122 0.000 0.842 54 D CB -0.398 40.361 40.800 -0.069 0.000 0.947 54 D HN 1.413 nan 8.370 nan 0.000 0.509 55 G N 0.567 109.306 108.800 -0.101 0.000 2.189 55 G HA2 -0.429 3.533 3.960 0.003 0.000 0.267 55 G HA3 -0.429 3.533 3.960 0.003 0.000 0.267 55 G C 1.027 175.915 174.900 -0.021 0.000 0.975 55 G CA 0.744 45.812 45.100 -0.053 0.000 0.644 55 G HN 0.544 nan 8.290 nan 0.000 0.537 56 N N -0.857 117.832 118.700 -0.018 0.000 2.594 56 N HA 0.104 4.845 4.740 0.003 0.000 0.237 56 N C 0.884 176.400 175.510 0.009 0.000 1.057 56 N CA 1.214 54.263 53.050 -0.002 0.000 0.883 56 N CB 0.333 38.816 38.487 -0.006 0.000 1.538 56 N HN 0.176 nan 8.380 nan 0.000 0.451 57 T N 1.680 116.238 114.554 0.006 0.000 2.902 57 T HA -0.041 4.311 4.350 0.003 0.000 0.301 57 T C -0.557 174.167 174.700 0.039 0.000 1.012 57 T CA 0.143 62.255 62.100 0.020 0.000 1.151 57 T CB 0.286 69.165 68.868 0.018 0.000 0.946 57 T HN 0.107 nan 8.240 nan 0.000 0.542 58 D N 2.511 122.938 120.400 0.045 0.000 2.342 58 D HA 0.007 4.649 4.640 0.003 0.000 0.260 58 D C 0.161 176.508 176.300 0.078 0.000 1.278 58 D CA -0.212 53.825 54.000 0.061 0.000 0.910 58 D CB 0.577 41.406 40.800 0.047 0.000 1.079 58 D HN 0.383 nan 8.370 nan 0.000 0.496 59 D N 2.501 122.969 120.400 0.114 0.000 2.340 59 D HA -0.013 4.628 4.640 0.003 0.000 0.217 59 D C 1.521 177.896 176.300 0.126 0.000 1.081 59 D CA 0.191 54.278 54.000 0.145 0.000 0.842 59 D CB 0.568 41.523 40.800 0.257 0.000 0.934 59 D HN 0.411 nan 8.370 nan 0.000 0.511 60 T N 0.550 115.166 114.554 0.104 0.000 2.635 60 T HA -0.215 4.137 4.350 0.003 0.000 0.267 60 T C 2.092 176.828 174.700 0.059 0.000 1.040 60 T CA 1.729 63.881 62.100 0.087 0.000 1.156 60 T CB -0.169 68.741 68.868 0.069 0.000 0.863 60 T HN 0.224 nan 8.240 nan 0.000 0.430 61 A N 1.571 124.421 122.820 0.050 0.000 1.902 61 A HA 0.135 4.457 4.320 0.003 0.000 0.217 61 A C 2.701 180.307 177.584 0.036 0.000 1.181 61 A CA 2.008 54.068 52.037 0.038 0.000 0.623 61 A CB -1.256 17.767 19.000 0.037 0.000 0.818 61 A HN 0.539 nan 8.150 nan 0.000 0.443 62 A N 0.014 122.865 122.820 0.051 0.000 1.883 62 A HA -0.130 4.191 4.320 0.003 0.000 0.217 62 A C 2.126 179.706 177.584 -0.006 0.000 1.186 62 A CA 1.657 53.728 52.037 0.057 0.000 0.624 62 A CB -0.691 18.358 19.000 0.081 0.000 0.822 62 A HN 0.508 nan 8.150 nan 0.000 0.444 63 I N -0.952 119.604 120.570 -0.024 0.000 2.208 63 I HA -0.290 3.881 4.170 0.003 0.000 0.245 63 I C 2.740 178.797 176.117 -0.099 0.000 1.097 63 I CA 1.816 63.052 61.300 -0.106 0.000 1.363 63 I CB -0.285 37.711 38.000 -0.007 0.000 1.051 63 I HN 0.369 nan 8.210 nan 0.000 0.413 64 Q N 1.005 120.784 119.800 -0.036 0.000 2.167 64 Q HA -0.130 4.212 4.340 0.003 0.000 0.202 64 Q C 2.140 178.092 176.000 -0.080 0.000 0.970 64 Q CA 1.877 57.662 55.803 -0.031 0.000 0.855 64 Q CB -0.236 28.508 28.738 0.010 0.000 0.911 64 Q HN 0.518 nan 8.270 nan 0.000 0.438 65 A N 0.088 122.850 122.820 -0.098 0.000 1.898 65 A HA -0.044 4.278 4.320 0.003 0.000 0.216 65 A C 2.273 179.559 177.584 -0.496 0.000 1.181 65 A CA 1.683 53.625 52.037 -0.158 0.000 0.620 65 A CB -1.124 17.871 19.000 -0.008 0.000 0.819 65 A HN 0.483 nan 8.150 nan 0.000 0.442 66 A N -0.057 122.361 122.820 -0.671 0.000 1.940 66 A HA -0.110 4.212 4.320 0.003 0.000 0.219 66 A C 2.104 179.377 177.584 -0.519 0.000 1.176 66 A CA 1.611 53.069 52.037 -0.965 0.000 0.631 66 A CB -0.607 18.009 19.000 -0.640 0.000 0.814 66 A HN 0.524 nan 8.150 nan 0.000 0.446 67 I N -0.337 120.064 120.570 -0.282 0.000 2.202 67 I HA -0.205 3.967 4.170 0.003 0.000 0.242 67 I C 1.795 177.859 176.117 -0.089 0.000 1.091 67 I CA 1.274 62.501 61.300 -0.122 0.000 1.368 67 I CB -0.369 37.615 38.000 -0.026 0.000 1.058 67 I HN 0.236 nan 8.210 nan 0.000 0.410 68 N N 1.105 119.747 118.700 -0.095 0.000 2.446 68 N HA 0.097 4.839 4.740 0.003 0.000 0.179 68 N C 0.588 176.076 175.510 -0.037 0.000 1.054 68 N CA 0.349 53.386 53.050 -0.022 0.000 0.905 68 N CB -0.231 38.259 38.487 0.004 0.000 0.973 68 N HN 0.209 nan 8.380 nan 0.000 0.448 69 A N -0.082 122.654 122.820 -0.139 0.000 2.565 69 A HA 0.410 4.732 4.320 0.003 0.000 0.237 69 A C 1.477 179.008 177.584 -0.089 0.000 1.053 69 A CA 0.840 52.816 52.037 -0.103 0.000 0.755 69 A CB -0.404 18.505 19.000 -0.153 0.000 0.980 69 A HN 0.488 nan 8.150 nan 0.000 0.506 70 G N 0.769 109.562 108.800 -0.012 0.000 2.179 70 G HA2 0.301 4.263 3.960 0.003 0.000 0.220 70 G HA3 0.301 4.263 3.960 0.003 0.000 0.220 70 G C 1.440 176.484 174.900 0.240 0.000 0.990 70 G CA 0.593 45.721 45.100 0.047 0.000 0.646 70 G HN 3.041 nan 8.290 nan 0.000 0.517 71 G N -0.266 108.635 108.800 0.168 0.000 2.788 71 G HA2 0.065 4.027 3.960 0.003 0.000 0.249 71 G HA3 0.065 4.027 3.960 0.003 0.000 0.249 71 G C -0.066 174.948 174.900 0.190 0.000 1.008 71 G CA 0.825 46.017 45.100 0.153 0.000 1.220 71 G HN 0.877 nan 8.290 nan 0.000 0.506 72 R N 0.257 120.856 120.500 0.164 0.000 3.055 72 R HA 0.712 5.053 4.340 0.003 0.000 0.231 72 R C 0.376 176.757 176.300 0.135 0.000 1.443 72 R CA -0.387 55.819 56.100 0.177 0.000 1.063 72 R CB 0.940 31.364 30.300 0.208 0.000 1.514 72 R HN 0.679 nan 8.270 nan 0.000 0.510 73 C N 1.862 121.257 119.300 0.159 0.000 2.218 73 C HA 0.528 4.989 4.460 0.003 0.000 0.353 73 C C 0.754 175.903 174.990 0.266 0.000 1.070 73 C CA -0.165 58.945 59.018 0.153 0.000 1.497 73 C CB -1.618 26.189 27.740 0.110 0.000 1.951 73 C HN 0.795 nan 8.230 nan 0.000 0.493 74 G N 3.443 112.320 108.800 0.128 0.000 3.099 74 G HA2 0.344 4.305 3.960 0.003 0.000 0.151 74 G HA3 0.344 4.305 3.960 0.003 0.000 0.151 74 G C -0.751 173.919 174.900 -0.383 0.000 1.265 74 G CA -0.377 44.730 45.100 0.013 0.000 0.981 74 G HN 0.726 nan 8.290 nan 0.000 0.601 75 Q N -0.129 119.201 119.800 -0.783 0.000 2.286 75 Q HA 0.353 4.694 4.340 0.003 0.000 0.290 75 Q C 1.119 176.911 176.000 -0.348 0.000 1.049 75 Q CA 1.259 56.598 55.803 -0.773 0.000 0.923 75 Q CB 0.711 29.076 28.738 -0.621 0.000 1.183 75 Q HN 1.154 nan 8.270 nan 0.000 0.383 76 G N 1.369 110.008 108.800 -0.269 0.000 2.195 76 G HA2 -0.290 3.671 3.960 0.003 0.000 0.246 76 G HA3 -0.290 3.671 3.960 0.003 0.000 0.246 76 G C -0.083 174.759 174.900 -0.096 0.000 0.984 76 G CA -0.121 44.892 45.100 -0.145 0.000 0.633 76 G HN 0.723 nan 8.290 nan 0.000 0.525 77 C N 0.947 120.194 119.300 -0.087 0.000 2.345 77 C HA 0.724 5.186 4.460 0.003 0.000 0.323 77 C C 1.420 176.418 174.990 0.013 0.000 1.276 77 C CA -0.046 58.952 59.018 -0.033 0.000 1.543 77 C CB 0.876 28.610 27.740 -0.010 0.000 2.211 77 C HN 0.322 nan 8.230 nan 0.000 0.493 78 D N 2.013 122.392 120.400 -0.034 0.000 2.183 78 D HA 0.083 4.725 4.640 0.003 0.000 0.203 78 D C 0.825 176.995 176.300 -0.217 0.000 0.969 78 D CA 1.831 55.812 54.000 -0.033 0.000 0.842 78 D CB 0.196 40.969 40.800 -0.045 0.000 0.957 78 D HN 0.898 nan 8.370 nan 0.000 0.484 79 S N -3.183 112.234 115.700 -0.471 0.000 2.710 79 S HA 0.439 4.911 4.470 0.003 0.000 0.274 79 S C -0.850 173.369 174.600 -0.635 0.000 1.029 79 S CA -0.984 56.496 58.200 -1.201 0.000 0.864 79 S CB 1.787 64.567 63.200 -0.700 0.000 1.103 79 S HN -0.042 nan 8.310 nan 0.000 0.460 80 T N 0.053 114.269 114.554 -0.563 0.000 2.830 80 T HA 0.682 5.034 4.350 0.003 0.000 0.322 80 T C 0.101 174.768 174.700 -0.054 0.000 1.501 80 T CA 0.250 62.254 62.100 -0.160 0.000 1.036 80 T CB 1.562 70.363 68.868 -0.113 0.000 1.379 80 T HN 1.777 nan 8.240 nan 0.000 0.493 81 T N -1.335 113.090 114.554 -0.215 0.000 3.091 81 T HA 0.186 4.537 4.350 0.003 0.000 0.277 81 T C 1.271 175.607 174.700 -0.607 0.000 0.996 81 T CA 0.692 62.390 62.100 -0.671 0.000 0.897 81 T CB -0.178 68.230 68.868 -0.768 0.000 1.109 81 T HN 0.683 nan 8.240 nan 0.000 0.534 82 T N -0.867 113.514 114.554 -0.287 0.000 3.054 82 T HA 0.328 4.680 4.350 0.003 0.000 0.255 82 T C 0.545 175.061 174.700 -0.307 0.000 1.035 82 T CA -0.345 61.624 62.100 -0.218 0.000 0.941 82 T CB -0.124 68.690 68.868 -0.090 0.000 1.026 82 T HN 0.384 nan 8.240 nan 0.000 0.533 83 Q N 2.228 121.884 119.800 -0.240 0.000 3.048 83 Q HA 0.331 4.672 4.340 0.003 0.000 0.337 83 Q C -2.855 173.195 176.000 0.085 0.000 0.845 83 Q CA -1.830 53.869 55.803 -0.173 0.000 0.942 83 Q CB 1.934 30.652 28.738 -0.033 0.000 1.454 83 Q HN 0.379 nan 8.270 nan 0.000 0.392 84 P HA 0.410 nan 4.420 nan 0.000 0.276 84 P C -0.969 176.505 177.300 0.289 0.000 1.244 84 P CA -0.314 62.892 63.100 0.177 0.000 0.801 84 P CB 1.481 33.284 31.700 0.172 0.000 1.006 85 A N 2.237 125.181 122.820 0.207 0.000 2.459 85 A HA 0.523 4.845 4.320 0.003 0.000 0.296 85 A C -1.406 176.255 177.584 0.128 0.000 1.039 85 A CA -0.704 51.418 52.037 0.142 0.000 0.698 85 A CB 0.975 20.019 19.000 0.073 0.000 1.261 85 A HN 0.565 nan 8.150 nan 0.000 0.405 86 L N 3.701 124.983 121.223 0.098 0.000 2.264 86 L HA 0.590 4.932 4.340 0.003 0.000 0.287 86 L C -1.184 175.605 176.870 -0.136 0.000 1.039 86 L CA -0.645 54.240 54.840 0.075 0.000 0.829 86 L CB 1.019 43.193 42.059 0.191 0.000 1.211 86 L HN 0.472 nan 8.230 nan 0.000 0.427 87 V N 5.533 125.418 119.914 -0.049 0.000 2.348 87 V HA 0.199 4.321 4.120 0.003 0.000 0.270 87 V C -0.595 175.471 176.094 -0.046 0.000 1.037 87 V CA -0.448 61.767 62.300 -0.143 0.000 0.872 87 V CB 0.901 32.697 31.823 -0.044 0.000 1.002 87 V HN 0.519 nan 8.190 nan 0.000 0.464 88 Y N 5.596 125.636 120.300 -0.433 0.000 2.360 88 Y HA 0.647 5.199 4.550 0.003 0.000 0.337 88 Y C -0.821 174.948 175.900 -0.219 0.000 1.039 88 Y CA -1.465 56.493 58.100 -0.237 0.000 1.109 88 Y CB 1.490 39.707 38.460 -0.405 0.000 1.201 88 Y HN 0.538 nan 8.280 nan 0.000 0.458 89 F N 7.904 127.284 119.950 -0.950 0.000 2.434 89 F HA 0.446 4.975 4.527 0.003 0.000 0.355 89 F C -2.218 173.157 175.800 -0.709 0.000 1.115 89 F CA -2.301 55.299 58.000 -0.666 0.000 1.010 89 F CB 1.148 39.852 39.000 -0.493 0.000 1.234 89 F HN 0.445 nan 8.300 nan 0.000 0.439 90 P HA 0.138 nan 4.420 nan 0.000 0.273 90 P C -2.568 174.821 177.300 0.149 0.000 1.250 90 P CA -1.261 61.870 63.100 0.052 0.000 0.793 90 P CB 0.014 31.833 31.700 0.198 0.000 1.011 91 P HA 0.279 nan 4.420 nan 0.000 0.266 91 P C 0.138 177.484 177.300 0.076 0.000 1.193 91 P CA 1.002 64.146 63.100 0.073 0.000 0.770 91 P CB 0.086 31.808 31.700 0.037 0.000 0.836 92 G N 0.444 109.256 108.800 0.019 0.000 2.352 92 G HA2 0.310 4.271 3.960 0.003 0.000 0.302 92 G HA3 0.310 4.271 3.960 0.003 0.000 0.302 92 G C -1.644 173.116 174.900 -0.233 0.000 1.370 92 G CA -0.613 44.362 45.100 -0.208 0.000 0.918 92 G HN 0.369 nan 8.290 nan 0.000 0.610 93 T N 1.122 115.458 114.554 -0.363 0.000 2.809 93 T HA 0.545 4.897 4.350 0.003 0.000 0.296 93 T C -1.240 173.296 174.700 -0.273 0.000 1.015 93 T CA -0.054 61.935 62.100 -0.186 0.000 0.954 93 T CB 0.583 69.391 68.868 -0.101 0.000 0.950 93 T HN 0.383 nan 8.240 nan 0.000 0.450 94 Y N 2.623 122.956 120.300 0.056 0.000 2.434 94 Y HA 0.357 4.908 4.550 0.003 0.000 0.341 94 Y C 0.777 176.709 175.900 0.053 0.000 0.965 94 Y CA -0.946 57.202 58.100 0.080 0.000 1.205 94 Y CB 0.822 39.381 38.460 0.165 0.000 1.121 94 Y HN 0.388 nan 8.280 nan 0.000 0.507 95 K N 4.226 124.707 120.400 0.135 0.000 2.339 95 K HA 0.440 4.762 4.320 0.003 0.000 0.286 95 K C -0.825 175.859 176.600 0.139 0.000 1.050 95 K CA -0.326 56.024 56.287 0.105 0.000 0.956 95 K CB 0.443 32.982 32.500 0.065 0.000 0.990 95 K HN 0.575 nan 8.250 nan 0.000 0.475 96 V N 1.068 121.072 119.914 0.149 0.000 2.735 96 V HA 0.432 4.554 4.120 0.003 0.000 0.310 96 V C 0.201 176.469 176.094 0.291 0.000 1.061 96 V CA -0.348 62.068 62.300 0.194 0.000 0.913 96 V CB 1.687 33.627 31.823 0.197 0.000 1.005 96 V HN 0.821 nan 8.190 nan 0.000 0.428 97 S N 1.037 116.850 115.700 0.188 0.000 2.632 97 S HA 0.425 4.897 4.470 0.003 0.000 0.237 97 S C 0.570 174.932 174.600 -0.396 0.000 1.037 97 S CA 0.340 58.572 58.200 0.053 0.000 1.009 97 S CB -0.152 63.046 63.200 -0.003 0.000 0.974 97 S HN 1.764 nan 8.310 nan 0.000 0.544 98 S N 0.296 115.816 115.700 -0.299 0.000 2.625 98 S HA 0.739 5.211 4.470 0.003 0.000 0.271 98 S C -3.548 171.020 174.600 -0.052 0.000 1.161 98 S CA -1.511 56.395 58.200 -0.491 0.000 0.820 98 S CB 0.752 63.794 63.200 -0.262 0.000 1.137 98 S HN -0.016 nan 8.310 nan 0.000 0.470 99 P HA 0.273 nan 4.420 nan 0.000 0.268 99 P C -0.939 176.433 177.300 0.120 0.000 1.205 99 P CA -0.224 62.999 63.100 0.205 0.000 0.771 99 P CB 0.170 31.966 31.700 0.159 0.000 0.858 100 L N 3.019 124.315 121.223 0.122 0.000 2.325 100 L HA 0.185 4.527 4.340 0.003 0.000 0.284 100 L C 0.039 176.950 176.870 0.069 0.000 1.089 100 L CA -0.693 54.192 54.840 0.075 0.000 0.836 100 L CB 0.440 42.529 42.059 0.049 0.000 1.184 100 L HN 0.100 nan 8.230 nan 0.000 0.444 101 V N 5.047 124.992 119.914 0.051 0.000 2.405 101 V HA 0.032 4.153 4.120 0.003 0.000 0.264 101 V C 0.386 176.524 176.094 0.075 0.000 1.048 101 V CA -0.257 62.061 62.300 0.029 0.000 0.966 101 V CB 1.604 33.405 31.823 -0.036 0.000 1.015 101 V HN 0.490 nan 8.190 nan 0.000 0.477 102 V N 8.417 128.392 119.914 0.101 0.000 2.322 102 V HA 0.334 4.455 4.120 0.003 0.000 0.258 102 V C 0.324 176.519 176.094 0.169 0.000 1.074 102 V CA -0.086 62.294 62.300 0.133 0.000 0.909 102 V CB 0.208 32.127 31.823 0.159 0.000 1.090 102 V HN 0.710 nan 8.190 nan 0.000 0.486 103 L N 5.502 126.848 121.223 0.205 0.000 2.476 103 L HA 0.227 4.569 4.340 0.003 0.000 0.264 103 L C 0.273 177.272 176.870 0.216 0.000 1.224 103 L CA -0.346 54.691 54.840 0.328 0.000 0.821 103 L CB 0.116 42.366 42.059 0.318 0.000 1.101 103 L HN 0.544 nan 8.230 nan 0.000 0.488 104 Y N 1.586 121.896 120.300 0.017 0.000 2.969 104 Y HA -0.232 4.320 4.550 0.003 0.000 0.339 104 Y C 1.028 176.929 175.900 0.002 0.000 1.272 104 Y CA 1.254 59.234 58.100 -0.200 0.000 1.577 104 Y CB 0.011 38.261 38.460 -0.349 0.000 1.234 104 Y HN 0.557 nan 8.280 nan 0.000 0.590 105 Q N 1.993 121.789 119.800 -0.007 0.000 2.493 105 Q HA -0.231 4.110 4.340 0.003 0.000 0.278 105 Q C -1.153 174.934 176.000 0.144 0.000 1.216 105 Q CA 0.915 56.794 55.803 0.125 0.000 0.875 105 Q CB -1.203 27.607 28.738 0.119 0.000 1.262 105 Q HN 0.760 nan 8.270 nan 0.000 0.468 106 T N 1.116 115.751 114.554 0.135 0.000 2.829 106 T HA 0.543 4.895 4.350 0.003 0.000 0.280 106 T C -0.567 174.247 174.700 0.191 0.000 0.999 106 T CA -0.607 61.587 62.100 0.157 0.000 0.983 106 T CB 1.680 70.633 68.868 0.141 0.000 0.968 106 T HN 0.209 nan 8.240 nan 0.000 0.446 107 Q N 2.008 121.929 119.800 0.201 0.000 2.333 107 Q HA 0.550 4.891 4.340 0.003 0.000 0.267 107 Q C -0.972 175.156 176.000 0.214 0.000 1.012 107 Q CA -0.710 55.227 55.803 0.224 0.000 0.824 107 Q CB 2.206 31.092 28.738 0.246 0.000 1.290 107 Q HN 0.500 nan 8.270 nan 0.000 0.449 108 L N 4.186 125.546 121.223 0.229 0.000 2.272 108 L HA 0.577 4.918 4.340 0.003 0.000 0.289 108 L C -0.534 176.550 176.870 0.357 0.000 1.032 108 L CA -0.435 54.591 54.840 0.309 0.000 0.810 108 L CB 0.645 42.782 42.059 0.130 0.000 1.205 108 L HN 0.503 nan 8.230 nan 0.000 0.422 109 I N 2.466 123.238 120.570 0.336 0.000 2.478 109 I HA 0.425 4.597 4.170 0.003 0.000 0.287 109 I C 0.412 176.409 176.117 -0.201 0.000 1.042 109 I CA -0.421 60.938 61.300 0.098 0.000 1.067 109 I CB 2.152 40.288 38.000 0.227 0.000 1.233 109 I HN 0.608 nan 8.210 nan 0.000 0.431 110 G N 3.278 111.608 108.800 -0.783 0.000 2.462 110 G HA2 0.167 4.129 3.960 0.003 0.000 0.319 110 G HA3 0.167 4.129 3.960 0.003 0.000 0.319 110 G C -0.587 173.967 174.900 -0.578 0.000 1.171 110 G CA -0.348 44.196 45.100 -0.926 0.000 0.920 110 G HN 0.636 nan 8.290 nan 0.000 0.499 111 D N 0.675 120.797 120.400 -0.463 0.000 2.520 111 D HA 0.105 4.747 4.640 0.003 0.000 0.243 111 D C 1.358 177.365 176.300 -0.488 0.000 1.160 111 D CA 0.356 54.224 54.000 -0.220 0.000 0.877 111 D CB 1.223 42.005 40.800 -0.030 0.000 1.150 111 D HN 0.299 nan 8.370 nan 0.000 0.494 112 A N 4.741 126.983 122.820 -0.963 0.000 2.167 112 A HA -0.078 4.244 4.320 0.003 0.000 0.214 112 A C 1.933 179.268 177.584 -0.415 0.000 1.151 112 A CA 0.720 52.271 52.037 -0.810 0.000 0.735 112 A CB 0.095 18.406 19.000 -1.148 0.000 0.802 112 A HN 0.610 nan 8.150 nan 0.000 0.467 113 K N -0.393 119.854 120.400 -0.255 0.000 2.202 113 K HA 0.095 4.416 4.320 0.003 0.000 0.201 113 K C -0.330 176.230 176.600 -0.066 0.000 1.051 113 K CA 0.528 56.777 56.287 -0.063 0.000 0.977 113 K CB 0.230 32.777 32.500 0.078 0.000 0.792 113 K HN 0.273 nan 8.250 nan 0.000 0.469 114 N N 1.425 120.074 118.700 -0.086 0.000 2.648 114 N HA 0.139 4.881 4.740 0.003 0.000 0.261 114 N C -1.429 174.008 175.510 -0.121 0.000 1.138 114 N CA -0.378 52.627 53.050 -0.075 0.000 0.804 114 N CB 1.389 39.861 38.487 -0.026 0.000 1.237 114 N HN -0.090 nan 8.380 nan 0.000 0.532 115 L N 3.392 124.516 121.223 -0.165 0.000 2.584 115 L HA 0.110 4.451 4.340 0.003 0.000 0.272 115 L C -1.567 175.207 176.870 -0.160 0.000 1.195 115 L CA -0.575 54.127 54.840 -0.231 0.000 0.920 115 L CB -0.456 41.461 42.059 -0.237 0.000 1.173 115 L HN 0.282 nan 8.230 nan 0.000 0.489 116 P HA 0.098 nan 4.420 nan 0.000 0.271 116 P C -0.681 176.656 177.300 0.062 0.000 1.218 116 P CA -0.365 62.751 63.100 0.026 0.000 0.780 116 P CB 0.537 32.309 31.700 0.119 0.000 0.901 117 T N 3.068 117.698 114.554 0.127 0.000 2.771 117 T HA 0.399 4.750 4.350 0.003 0.000 0.281 117 T C 0.179 174.967 174.700 0.147 0.000 0.982 117 T CA -0.448 61.696 62.100 0.074 0.000 0.978 117 T CB 0.259 69.131 68.868 0.006 0.000 0.930 117 T HN 0.188 nan 8.240 nan 0.000 0.447 118 L N 4.261 125.498 121.223 0.023 0.000 2.261 118 L HA 0.461 4.802 4.340 0.003 0.000 0.289 118 L C -0.421 176.412 176.870 -0.061 0.000 1.059 118 L CA -0.835 53.986 54.840 -0.032 0.000 0.816 118 L CB 0.643 42.552 42.059 -0.250 0.000 1.191 118 L HN 0.365 nan 8.230 nan 0.000 0.431 119 L N 4.315 125.538 121.223 -0.001 0.000 2.276 119 L HA 0.582 4.923 4.340 0.003 0.000 0.286 119 L C 0.369 177.224 176.870 -0.025 0.000 1.024 119 L CA -0.152 54.673 54.840 -0.026 0.000 0.826 119 L CB 1.303 43.363 42.059 0.002 0.000 1.211 119 L HN 0.627 nan 8.230 nan 0.000 0.422 120 A N 4.971 127.733 122.820 -0.096 0.000 2.491 120 A HA 0.599 4.920 4.320 0.003 0.000 0.261 120 A C 0.694 178.301 177.584 0.038 0.000 1.101 120 A CA 0.169 52.150 52.037 -0.093 0.000 0.772 120 A CB -0.278 18.538 19.000 -0.307 0.000 1.043 120 A HN 1.113 nan 8.150 nan 0.000 0.501 121 A N 4.823 127.732 122.820 0.148 0.000 2.520 121 A HA 0.427 4.748 4.320 0.003 0.000 0.235 121 A C -1.063 176.596 177.584 0.125 0.000 1.065 121 A CA -0.650 51.463 52.037 0.126 0.000 0.764 121 A CB -0.306 18.775 19.000 0.134 0.000 1.002 121 A HN 0.641 nan 8.150 nan 0.000 0.502 122 P HA -0.158 nan 4.420 nan 0.000 0.217 122 P C 0.742 178.096 177.300 0.090 0.000 1.148 122 P CA 1.673 64.818 63.100 0.076 0.000 0.828 122 P CB -0.015 31.715 31.700 0.051 0.000 0.783 123 N N -1.046 117.704 118.700 0.083 0.000 2.295 123 N HA -0.039 4.702 4.740 0.003 0.000 0.221 123 N C -0.097 175.452 175.510 0.066 0.000 1.129 123 N CA -0.555 52.532 53.050 0.061 0.000 0.836 123 N CB -1.003 37.499 38.487 0.025 0.000 1.040 123 N HN 0.049 nan 8.380 nan 0.000 0.494 124 F N 2.007 121.956 119.950 -0.002 0.000 2.623 124 F HA 0.036 4.565 4.527 0.003 0.000 0.386 124 F C 0.470 176.265 175.800 -0.009 0.000 1.068 124 F CA 0.578 58.574 58.000 -0.007 0.000 1.265 124 F CB 0.529 39.518 39.000 -0.017 0.000 1.026 124 F HN 0.017 nan 8.300 nan 0.000 0.568 125 S N 3.942 119.182 115.700 -0.765 0.000 2.547 125 S HA 0.830 5.302 4.470 0.003 0.000 0.281 125 S C -0.413 173.827 174.600 -0.599 0.000 1.118 125 S CA 0.215 58.159 58.200 -0.426 0.000 0.947 125 S CB 1.035 64.086 63.200 -0.249 0.000 1.053 125 S HN 1.505 nan 8.310 nan 0.000 0.482 126 G N 2.969 111.668 108.800 -0.169 0.000 2.351 126 G HA2 0.060 4.022 3.960 0.003 0.000 0.353 126 G HA3 0.060 4.022 3.960 0.003 0.000 0.353 126 G C 0.249 175.237 174.900 0.146 0.000 1.358 126 G CA -0.340 44.734 45.100 -0.043 0.000 0.995 126 G HN 0.880 nan 8.290 nan 0.000 0.611 127 I N 0.362 120.990 120.570 0.096 0.000 2.286 127 I HA 0.354 4.525 4.170 0.003 0.000 0.248 127 I C 1.131 177.322 176.117 0.124 0.000 1.115 127 I CA 2.335 63.659 61.300 0.041 0.000 1.392 127 I CB -0.134 37.839 38.000 -0.046 0.000 1.065 127 I HN 1.495 nan 8.210 nan 0.000 0.418 128 A N -1.248 121.719 122.820 0.244 0.000 2.586 128 A HA 0.268 4.590 4.320 0.003 0.000 0.291 128 A C -0.037 177.671 177.584 0.207 0.000 1.062 128 A CA -0.579 51.568 52.037 0.182 0.000 0.666 128 A CB 0.254 19.388 19.000 0.223 0.000 1.281 128 A HN 0.129 nan 8.150 nan 0.000 0.421 129 L N 0.141 121.316 121.223 -0.080 0.000 2.083 129 L HA 0.191 4.533 4.340 0.003 0.000 0.209 129 L C 0.034 176.935 176.870 0.052 0.000 1.083 129 L CA 1.422 56.202 54.840 -0.100 0.000 0.752 129 L CB -0.145 41.720 42.059 -0.324 0.000 0.899 129 L HN 0.595 nan 8.230 nan 0.000 0.433 130 I N -0.292 120.304 120.570 0.043 0.000 2.406 130 I HA 0.224 4.395 4.170 0.003 0.000 0.290 130 I C -1.149 175.084 176.117 0.192 0.000 0.999 130 I CA -0.594 60.745 61.300 0.066 0.000 1.124 130 I CB 1.698 39.677 38.000 -0.034 0.000 1.289 130 I HN -0.118 nan 8.210 nan 0.000 0.441 131 D N 5.013 125.527 120.400 0.190 0.000 2.505 131 D HA 0.461 5.103 4.640 0.003 0.000 0.250 131 D C 0.268 176.665 176.300 0.161 0.000 1.164 131 D CA -0.398 53.749 54.000 0.245 0.000 0.870 131 D CB 2.107 43.031 40.800 0.207 0.000 1.160 131 D HN 0.597 nan 8.370 nan 0.000 0.549 132 A N 3.355 126.246 122.820 0.119 0.000 2.218 132 A HA 0.152 4.474 4.320 0.003 0.000 0.209 132 A C 0.502 178.080 177.584 -0.010 0.000 1.168 132 A CA 0.156 52.199 52.037 0.010 0.000 0.804 132 A CB 0.275 19.178 19.000 -0.161 0.000 0.834 132 A HN 0.391 nan 8.150 nan 0.000 0.482 133 D N -0.781 119.599 120.400 -0.034 0.000 2.634 133 D HA 0.259 4.900 4.640 0.003 0.000 0.236 133 D C -3.295 172.949 176.300 -0.093 0.000 1.323 133 D CA -1.351 52.621 54.000 -0.046 0.000 0.884 133 D CB 1.062 41.816 40.800 -0.078 0.000 1.496 133 D HN -0.078 nan 8.370 nan 0.000 0.525 134 P HA 0.108 nan 4.420 nan 0.000 0.268 134 P C -0.620 176.586 177.300 -0.157 0.000 1.205 134 P CA 0.138 63.103 63.100 -0.224 0.000 0.771 134 P CB 0.288 31.643 31.700 -0.575 0.000 0.858 135 Y N 1.486 121.803 120.300 0.028 0.000 2.299 135 Y HA 0.343 4.894 4.550 0.003 0.000 0.326 135 Y C 0.874 176.808 175.900 0.057 0.000 1.164 135 Y CA 0.090 58.222 58.100 0.054 0.000 1.234 135 Y CB 0.474 38.956 38.460 0.037 0.000 1.219 135 Y HN 0.168 nan 8.280 nan 0.000 0.497 136 L N 1.450 122.800 121.223 0.212 0.000 2.293 136 L HA 0.789 5.131 4.340 0.003 0.000 0.264 136 L C -0.006 176.937 176.870 0.121 0.000 1.029 136 L CA -1.680 53.248 54.840 0.146 0.000 0.897 136 L CB 0.631 42.757 42.059 0.110 0.000 1.497 136 L HN 0.624 nan 8.230 nan 0.000 0.495 137 A N -0.195 122.671 122.820 0.077 0.000 2.511 137 A HA 0.418 4.740 4.320 0.003 0.000 0.242 137 A C 1.059 178.676 177.584 0.056 0.000 1.069 137 A CA 0.623 52.693 52.037 0.055 0.000 0.763 137 A CB -0.564 18.456 19.000 0.035 0.000 1.001 137 A HN 1.141 nan 8.150 nan 0.000 0.498 138 G N 0.712 109.541 108.800 0.049 0.000 2.162 138 G HA2 0.140 4.101 3.960 0.003 0.000 0.260 138 G HA3 0.140 4.101 3.960 0.003 0.000 0.260 138 G C 1.657 176.600 174.900 0.072 0.000 0.976 138 G CA 0.989 46.116 45.100 0.046 0.000 0.655 138 G HN 2.826 nan 8.290 nan 0.000 0.533 139 G N -1.141 107.726 108.800 0.112 0.000 2.148 139 G HA2 0.162 4.124 3.960 0.003 0.000 0.254 139 G HA3 0.162 4.124 3.960 0.003 0.000 0.254 139 G C 0.976 176.005 174.900 0.215 0.000 0.981 139 G CA 1.156 46.376 45.100 0.198 0.000 0.670 139 G HN 2.341 nan 8.290 nan 0.000 0.528 140 A N -0.801 122.095 122.820 0.127 0.000 2.448 140 A HA 0.620 4.941 4.320 0.003 0.000 0.239 140 A C 0.557 178.172 177.584 0.051 0.000 1.080 140 A CA 0.835 52.914 52.037 0.070 0.000 0.779 140 A CB 0.314 19.336 19.000 0.037 0.000 1.026 140 A HN 0.659 nan 8.150 nan 0.000 0.499 141 Q N -1.184 118.598 119.800 -0.031 0.000 2.484 141 Q HA 0.361 4.702 4.340 0.003 0.000 0.285 141 Q C -0.343 175.628 176.000 -0.048 0.000 1.097 141 Q CA -0.909 54.832 55.803 -0.102 0.000 0.802 141 Q CB 0.985 29.555 28.738 -0.279 0.000 1.444 141 Q HN 0.698 nan 8.270 nan 0.000 0.429 142 Y N -0.067 120.010 120.300 -0.371 0.000 2.114 142 Y HA -0.189 4.363 4.550 0.003 0.000 0.282 142 Y C 0.331 175.854 175.900 -0.627 0.000 1.165 142 Y CA 1.404 59.115 58.100 -0.648 0.000 1.148 142 Y CB 0.079 37.850 38.460 -1.148 0.000 0.972 142 Y HN 0.433 nan 8.280 nan 0.000 0.504 143 Y N -2.874 117.484 120.300 0.096 0.000 2.512 143 Y HA 0.468 5.019 4.550 0.003 0.000 0.348 143 Y C -0.348 175.519 175.900 -0.056 0.000 0.990 143 Y CA -2.302 55.809 58.100 0.018 0.000 1.033 143 Y CB 0.784 39.281 38.460 0.062 0.000 1.259 143 Y HN -0.515 nan 8.280 nan 0.000 0.461 144 V N 4.452 124.418 119.914 0.088 0.000 2.485 144 V HA -0.078 4.044 4.120 0.003 0.000 0.287 144 V C 1.311 177.373 176.094 -0.053 0.000 1.022 144 V CA -0.039 62.257 62.300 -0.005 0.000 1.067 144 V CB 0.296 32.101 31.823 -0.030 0.000 0.967 144 V HN 1.017 nan 8.190 nan 0.000 0.479 145 N N 4.891 123.555 118.700 -0.060 0.000 2.149 145 N HA -0.271 4.470 4.740 0.003 0.000 0.188 145 N C 1.268 176.680 175.510 -0.164 0.000 1.019 145 N CA 1.584 54.573 53.050 -0.102 0.000 0.857 145 N CB 0.017 38.473 38.487 -0.052 0.000 0.997 145 N HN 0.753 nan 8.380 nan 0.000 0.426 146 Q N 0.201 119.931 119.800 -0.117 0.000 2.437 146 Q HA 0.090 4.431 4.340 0.003 0.000 0.210 146 Q C 0.473 176.347 176.000 -0.210 0.000 0.972 146 Q CA 0.824 56.570 55.803 -0.094 0.000 0.903 146 Q CB 0.041 28.778 28.738 -0.002 0.000 0.967 146 Q HN 0.473 nan 8.270 nan 0.000 0.486 147 N N -0.223 118.227 118.700 -0.416 0.000 2.204 147 N HA 0.027 4.769 4.740 0.003 0.000 0.219 147 N C -0.576 174.160 175.510 -1.290 0.000 1.151 147 N CA 0.016 52.501 53.050 -0.943 0.000 0.867 147 N CB 0.409 38.724 38.487 -0.286 0.000 1.043 147 N HN 0.051 nan 8.380 nan 0.000 0.516 148 N N 1.132 119.283 118.700 -0.915 0.000 3.034 148 N HA 0.142 4.883 4.740 0.003 0.000 0.265 148 N C -1.083 173.933 175.510 -0.824 0.000 1.166 148 N CA -0.124 52.507 53.050 -0.699 0.000 1.081 148 N CB -0.282 37.959 38.487 -0.410 0.000 1.378 148 N HN -0.113 nan 8.380 nan 0.000 0.520 149 F N 1.262 120.746 119.950 -0.776 0.000 2.410 149 F HA 0.488 5.017 4.527 0.002 0.000 0.324 149 F C 0.520 175.752 175.800 -0.946 0.000 1.093 149 F CA -1.237 56.167 58.000 -0.993 0.000 1.028 149 F CB 0.126 38.306 39.000 -1.367 0.000 1.309 149 F HN 0.035 nan 8.300 nan 0.000 0.499 150 F N -0.034 119.837 119.950 -0.131 0.000 2.563 150 F HA -0.112 4.417 4.527 0.003 0.000 0.351 150 F C -0.030 175.695 175.800 -0.125 0.000 1.086 150 F CA -0.219 57.738 58.000 -0.072 0.000 1.174 150 F CB -1.659 37.320 39.000 -0.035 0.000 1.590 150 F HN 0.418 nan 8.300 nan 0.000 0.808 151 R N 0.785 121.361 120.500 0.127 0.000 2.535 151 R HA 0.786 5.128 4.340 0.003 0.000 0.274 151 R C -1.091 175.456 176.300 0.412 0.000 1.090 151 R CA -0.698 55.502 56.100 0.167 0.000 0.930 151 R CB 2.346 32.600 30.300 -0.078 0.000 1.223 151 R HN 0.267 nan 8.270 nan 0.000 0.441 152 S N 1.835 117.793 115.700 0.430 0.000 2.546 152 S HA 0.791 5.263 4.470 0.003 0.000 0.274 152 S C -1.667 173.090 174.600 0.260 0.000 1.121 152 S CA -0.528 57.912 58.200 0.400 0.000 0.887 152 S CB 1.551 64.943 63.200 0.320 0.000 1.094 152 S HN 0.227 nan 8.310 nan 0.000 0.474 153 V N 4.465 124.428 119.914 0.082 0.000 2.577 153 V HA 0.651 4.773 4.120 0.003 0.000 0.303 153 V C -0.746 175.364 176.094 0.027 0.000 1.042 153 V CA -0.700 61.601 62.300 0.003 0.000 0.872 153 V CB 1.727 33.402 31.823 -0.246 0.000 0.998 153 V HN 0.889 nan 8.190 nan 0.000 0.423 154 R N 3.960 124.529 120.500 0.114 0.000 2.621 154 R HA 0.586 4.928 4.340 0.003 0.000 0.284 154 R C -0.902 175.237 176.300 -0.268 0.000 0.998 154 R CA -0.949 55.122 56.100 -0.049 0.000 0.895 154 R CB 1.609 31.857 30.300 -0.087 0.000 1.195 154 R HN 0.737 nan 8.270 nan 0.000 0.450 155 N N 1.652 120.155 118.700 -0.327 0.000 2.729 155 N HA -0.168 4.574 4.740 0.003 0.000 0.259 155 N C -1.491 173.501 175.510 -0.864 0.000 1.119 155 N CA 0.967 53.699 53.050 -0.531 0.000 0.679 155 N CB -1.038 37.098 38.487 -0.585 0.000 0.892 155 N HN 0.414 nan 8.380 nan 0.000 0.558 156 F N -1.027 118.707 119.950 -0.360 0.000 2.613 156 F HA 0.527 5.055 4.527 0.002 0.000 0.310 156 F C 0.299 175.867 175.800 -0.386 0.000 1.085 156 F CA -0.896 56.869 58.000 -0.392 0.000 0.945 156 F CB 1.558 40.266 39.000 -0.486 0.000 1.298 156 F HN -0.159 nan 8.300 nan 0.000 0.455 157 V N 3.946 123.792 119.914 -0.113 0.000 2.407 157 V HA 0.390 4.511 4.120 0.003 0.000 0.278 157 V C -0.086 175.878 176.094 -0.216 0.000 1.037 157 V CA -0.528 61.659 62.300 -0.187 0.000 0.900 157 V CB 1.334 33.079 31.823 -0.131 0.000 0.983 157 V HN 0.488 nan 8.190 nan 0.000 0.459 158 I N 4.273 124.623 120.570 -0.367 0.000 2.328 158 I HA 0.364 4.536 4.170 0.003 0.000 0.287 158 I C -0.622 175.357 176.117 -0.229 0.000 1.012 158 I CA -0.191 60.895 61.300 -0.356 0.000 1.195 158 I CB 1.450 39.125 38.000 -0.543 0.000 1.350 158 I HN 0.532 nan 8.210 nan 0.000 0.464 159 D N 7.301 127.599 120.400 -0.170 0.000 2.414 159 D HA 0.343 4.985 4.640 0.003 0.000 0.232 159 D C 0.200 176.411 176.300 -0.149 0.000 1.070 159 D CA -0.290 53.638 54.000 -0.119 0.000 0.839 159 D CB 1.527 42.278 40.800 -0.081 0.000 1.079 159 D HN 0.419 nan 8.370 nan 0.000 0.521 160 L N 3.396 124.515 121.223 -0.174 0.000 2.640 160 L HA 0.276 4.617 4.340 0.003 0.000 0.230 160 L C 2.018 178.749 176.870 -0.231 0.000 1.123 160 L CA -0.166 54.480 54.840 -0.322 0.000 0.900 160 L CB 0.247 41.967 42.059 -0.564 0.000 1.146 160 L HN 0.185 nan 8.230 nan 0.000 0.484 161 R N 0.082 120.561 120.500 -0.036 0.000 2.237 161 R HA -0.088 4.254 4.340 0.003 0.000 0.219 161 R C 1.651 178.015 176.300 0.107 0.000 1.080 161 R CA 0.651 56.819 56.100 0.112 0.000 0.995 161 R CB 0.038 30.381 30.300 0.071 0.000 0.875 161 R HN 0.342 nan 8.270 nan 0.000 0.462 162 Q N 0.007 119.833 119.800 0.043 0.000 2.432 162 Q HA 0.056 4.398 4.340 0.003 0.000 0.205 162 Q C 0.136 176.180 176.000 0.073 0.000 0.945 162 Q CA 0.480 56.312 55.803 0.048 0.000 0.924 162 Q CB 0.450 29.204 28.738 0.027 0.000 1.016 162 Q HN 0.089 nan 8.270 nan 0.000 0.503 163 V N 2.414 122.384 119.914 0.093 0.000 2.385 163 V HA 0.038 4.159 4.120 0.003 0.000 0.269 163 V C 1.469 177.693 176.094 0.217 0.000 1.043 163 V CA 0.268 62.647 62.300 0.132 0.000 0.906 163 V CB 1.204 33.067 31.823 0.066 0.000 0.995 163 V HN 0.267 nan 8.190 nan 0.000 0.467 164 S N 3.611 119.385 115.700 0.124 0.000 2.406 164 S HA 0.025 4.497 4.470 0.003 0.000 0.228 164 S C 1.125 175.761 174.600 0.060 0.000 1.020 164 S CA 0.612 58.857 58.200 0.075 0.000 0.965 164 S CB -0.026 63.199 63.200 0.041 0.000 0.798 164 S HN 0.849 nan 8.310 nan 0.000 0.488 165 G N 1.473 110.327 108.800 0.091 0.000 2.940 165 G HA2 0.504 4.465 3.960 0.003 0.000 0.164 165 G HA3 0.504 4.465 3.960 0.003 0.000 0.164 165 G C -0.314 174.660 174.900 0.123 0.000 1.326 165 G CA -0.153 44.986 45.100 0.065 0.000 1.020 165 G HN 0.579 nan 8.290 nan 0.000 0.586 166 S N -0.922 114.831 115.700 0.088 0.000 2.564 166 S HA 0.620 5.092 4.470 0.003 0.000 0.278 166 S C -0.124 174.543 174.600 0.112 0.000 1.333 166 S CA 0.275 58.536 58.200 0.101 0.000 1.048 166 S CB 1.234 64.449 63.200 0.025 0.000 0.900 166 S HN 1.733 nan 8.310 nan 0.000 0.505 167 A N 2.249 125.124 122.820 0.091 0.000 2.547 167 A HA 0.719 5.041 4.320 0.003 0.000 0.297 167 A C -0.438 177.094 177.584 -0.086 0.000 1.056 167 A CA -0.822 51.177 52.037 -0.062 0.000 0.688 167 A CB 1.601 20.441 19.000 -0.266 0.000 1.282 167 A HN 0.797 nan 8.150 nan 0.000 0.400 168 T N 0.946 115.441 114.554 -0.098 0.000 2.861 168 T HA 0.543 4.894 4.350 0.003 0.000 0.287 168 T C 1.281 175.955 174.700 -0.044 0.000 1.003 168 T CA 0.198 62.282 62.100 -0.026 0.000 0.977 168 T CB 1.827 70.719 68.868 0.041 0.000 0.996 168 T HN 1.116 nan 8.240 nan 0.000 0.448 169 G N 1.891 110.727 108.800 0.059 0.000 2.404 169 G HA2 0.202 4.163 3.960 0.003 0.000 0.214 169 G HA3 0.202 4.163 3.960 0.003 0.000 0.214 169 G C 0.249 175.212 174.900 0.105 0.000 1.189 169 G CA 0.524 45.679 45.100 0.091 0.000 0.789 169 G HN 0.669 nan 8.290 nan 0.000 0.533 170 I N -0.675 120.029 120.570 0.223 0.000 2.534 170 I HA 0.188 4.360 4.170 0.003 0.000 0.288 170 I C -1.077 175.275 176.117 0.391 0.000 1.077 170 I CA -0.738 60.711 61.300 0.248 0.000 1.051 170 I CB 2.608 40.715 38.000 0.178 0.000 1.234 170 I HN 0.161 nan 8.210 nan 0.000 0.425 171 H N 6.680 125.941 119.070 0.318 0.000 3.008 171 H HA 0.076 4.634 4.556 0.003 0.000 0.268 171 H C -0.909 174.662 175.328 0.404 0.000 1.323 171 H CA -0.306 55.964 56.048 0.370 0.000 1.401 171 H CB 0.595 30.560 29.762 0.339 0.000 1.556 171 H HN 0.682 nan 8.280 nan 0.000 0.502 172 W N 6.993 128.298 121.300 0.008 0.000 1.919 172 W HA 0.103 4.764 4.660 0.002 0.000 0.347 172 W C -0.346 176.103 176.519 -0.117 0.000 0.698 172 W CA -0.705 56.612 57.345 -0.045 0.000 2.240 172 W CB 0.403 29.896 29.460 0.056 0.000 2.021 172 W HN 0.650 nan 8.180 nan 0.000 0.527 173 Q N 3.356 122.913 119.800 -0.405 0.000 2.534 173 Q HA 0.221 4.563 4.340 0.003 0.000 0.223 173 Q C -0.499 175.250 176.000 -0.418 0.000 1.239 173 Q CA 0.154 55.744 55.803 -0.356 0.000 0.936 173 Q CB 0.101 28.599 28.738 -0.401 0.000 1.457 173 Q HN 0.242 nan 8.270 nan 0.000 0.547 174 V N -0.768 118.888 119.914 -0.431 0.000 3.130 174 V HA 0.748 4.869 4.120 0.003 0.000 0.310 174 V C -0.458 175.426 176.094 -0.350 0.000 1.158 174 V CA -0.751 61.228 62.300 -0.535 0.000 1.029 174 V CB 2.087 33.327 31.823 -0.972 0.000 1.057 174 V HN 0.479 nan 8.190 nan 0.000 0.436 175 S N 0.111 115.571 115.700 -0.399 0.000 3.831 175 S HA 0.524 4.996 4.470 0.003 0.000 0.222 175 S C -0.336 173.975 174.600 -0.482 0.000 1.036 175 S CA -0.567 57.419 58.200 -0.357 0.000 1.519 175 S CB 0.466 63.535 63.200 -0.220 0.000 1.039 175 S HN 0.903 nan 8.310 nan 0.000 0.690 176 Q N 0.397 119.821 119.800 -0.627 0.000 2.396 176 Q HA 0.628 4.970 4.340 0.003 0.000 0.221 176 Q C 0.067 175.518 176.000 -0.915 0.000 1.025 176 Q CA 0.540 55.688 55.803 -1.091 0.000 0.946 176 Q CB 0.137 27.532 28.738 -2.238 0.000 1.224 176 Q HN 0.896 nan 8.270 nan 0.000 0.539 177 A N -0.297 122.097 122.820 -0.710 0.000 2.745 177 A HA -0.165 4.157 4.320 0.003 0.000 0.296 177 A C 0.066 177.628 177.584 -0.037 0.000 1.500 177 A CA 1.075 52.867 52.037 -0.409 0.000 0.766 177 A CB -2.591 16.148 19.000 -0.436 0.000 1.030 177 A HN 0.721 nan 8.150 nan 0.000 0.489 178 T N -2.135 112.425 114.554 0.010 0.000 2.916 178 T HA 0.901 5.253 4.350 0.003 0.000 0.292 178 T C -0.411 174.543 174.700 0.424 0.000 1.055 178 T CA 0.160 62.380 62.100 0.199 0.000 1.009 178 T CB 2.114 70.987 68.868 0.008 0.000 1.118 178 T HN 2.036 nan 8.240 nan 0.000 0.497 179 S N 0.896 116.944 115.700 0.581 0.000 2.537 179 S HA 0.666 5.137 4.470 0.003 0.000 0.271 179 S C -1.389 173.424 174.600 0.355 0.000 1.148 179 S CA -1.109 57.409 58.200 0.529 0.000 0.868 179 S CB 0.932 64.448 63.200 0.527 0.000 1.115 179 S HN 0.829 nan 8.310 nan 0.000 0.461 180 L N 2.382 123.683 121.223 0.131 0.000 2.329 180 L HA 0.709 5.050 4.340 0.003 0.000 0.279 180 L C -0.900 175.981 176.870 0.018 0.000 1.014 180 L CA -0.873 53.899 54.840 -0.114 0.000 0.814 180 L CB 1.458 43.312 42.059 -0.342 0.000 1.257 180 L HN 0.676 nan 8.230 nan 0.000 0.424 181 I N 2.726 123.291 120.570 -0.007 0.000 2.571 181 I HA 0.276 4.448 4.170 0.003 0.000 0.289 181 I C -0.459 175.617 176.117 -0.068 0.000 1.115 181 I CA -0.699 60.612 61.300 0.018 0.000 1.045 181 I CB 1.902 39.920 38.000 0.031 0.000 1.238 181 I HN 0.680 nan 8.210 nan 0.000 0.424 182 N N 5.049 123.707 118.700 -0.070 0.000 2.726 182 N HA -0.151 4.591 4.740 0.003 0.000 0.253 182 N C -1.646 173.754 175.510 -0.183 0.000 1.059 182 N CA 0.714 53.689 53.050 -0.124 0.000 0.701 182 N CB -0.686 37.712 38.487 -0.149 0.000 0.899 182 N HN 0.591 nan 8.380 nan 0.000 0.548 183 I N 0.144 120.589 120.570 -0.208 0.000 2.545 183 I HA 0.427 4.599 4.170 0.003 0.000 0.292 183 I C 0.023 175.908 176.117 -0.387 0.000 1.040 183 I CA -1.191 59.902 61.300 -0.345 0.000 1.068 183 I CB 2.063 39.770 38.000 -0.489 0.000 1.251 183 I HN -0.151 nan 8.210 nan 0.000 0.424 184 V N 6.115 125.782 119.914 -0.412 0.000 2.384 184 V HA 0.394 4.516 4.120 0.003 0.000 0.287 184 V C -0.601 175.241 176.094 -0.420 0.000 1.020 184 V CA -0.496 61.613 62.300 -0.318 0.000 0.850 184 V CB 1.279 32.984 31.823 -0.197 0.000 0.987 184 V HN 0.382 nan 8.190 nan 0.000 0.436 185 F N 3.539 123.281 119.950 -0.347 0.000 2.385 185 F HA 0.489 5.018 4.527 0.003 0.000 0.360 185 F C 0.638 176.363 175.800 -0.125 0.000 1.122 185 F CA -0.468 57.381 58.000 -0.251 0.000 1.090 185 F CB 1.334 40.162 39.000 -0.286 0.000 1.150 185 F HN 0.363 nan 8.300 nan 0.000 0.472 186 Q N 5.727 125.544 119.800 0.028 0.000 2.347 186 Q HA 0.561 4.902 4.340 0.003 0.000 0.262 186 Q C -0.565 175.472 176.000 0.062 0.000 0.980 186 Q CA -0.168 55.656 55.803 0.034 0.000 0.867 186 Q CB 2.583 31.313 28.738 -0.014 0.000 1.242 186 Q HN 0.767 nan 8.270 nan 0.000 0.453 187 M N 0.152 119.823 119.600 0.118 0.000 2.691 187 M HA 0.349 4.830 4.480 0.003 0.000 0.293 187 M C 0.082 176.512 176.300 0.216 0.000 1.259 187 M CA -0.889 54.534 55.300 0.204 0.000 0.827 187 M CB 2.310 35.046 32.600 0.228 0.000 1.753 187 M HN 0.423 nan 8.290 nan 0.000 0.465 188 S N 0.177 116.084 115.700 0.345 0.000 2.572 188 S HA 0.167 4.639 4.470 0.003 0.000 0.279 188 S C 0.772 175.376 174.600 0.006 0.000 1.341 188 S CA -0.002 58.241 58.200 0.071 0.000 1.043 188 S CB 0.391 63.494 63.200 -0.160 0.000 0.887 188 S HN 0.779 nan 8.310 nan 0.000 0.516 189 T N 1.539 116.089 114.554 -0.007 0.000 3.129 189 T HA 0.529 4.880 4.350 0.003 0.000 0.267 189 T C 0.371 175.048 174.700 -0.038 0.000 1.018 189 T CA -0.008 62.082 62.100 -0.016 0.000 0.903 189 T CB -0.024 68.845 68.868 0.001 0.000 1.067 189 T HN 0.721 nan 8.240 nan 0.000 0.549 190 A N 1.509 124.293 122.820 -0.061 0.000 2.462 190 A HA 0.708 5.030 4.320 0.003 0.000 0.243 190 A C 0.946 178.488 177.584 -0.070 0.000 1.076 190 A CA -0.305 51.695 52.037 -0.063 0.000 0.773 190 A CB -0.400 18.556 19.000 -0.073 0.000 1.010 190 A HN 0.859 nan 8.150 nan 0.000 0.493 191 A N 1.647 124.435 122.820 -0.052 0.000 2.566 191 A HA 0.452 4.774 4.320 0.003 0.000 0.245 191 A C 1.658 179.206 177.584 -0.061 0.000 1.056 191 A CA 0.870 52.877 52.037 -0.050 0.000 0.757 191 A CB -0.915 18.062 19.000 -0.038 0.000 0.979 191 A HN 2.774 nan 8.150 nan 0.000 0.508 192 G N 2.186 110.948 108.800 -0.064 0.000 2.162 192 G HA2 -0.318 3.643 3.960 0.003 0.000 0.260 192 G HA3 -0.318 3.643 3.960 0.003 0.000 0.260 192 G C 0.143 174.988 174.900 -0.092 0.000 0.976 192 G CA 0.633 45.693 45.100 -0.067 0.000 0.655 192 G HN 1.822 nan 8.290 nan 0.000 0.533 193 N N -0.406 118.217 118.700 -0.129 0.000 2.381 193 N HA 0.369 5.110 4.740 0.003 0.000 0.241 193 N C 0.440 175.852 175.510 -0.163 0.000 1.279 193 N CA 0.556 53.475 53.050 -0.217 0.000 0.896 193 N CB 0.255 38.527 38.487 -0.359 0.000 1.118 193 N HN 0.439 nan 8.380 nan 0.000 0.438 194 Q N -0.649 119.059 119.800 -0.154 0.000 2.233 194 Q HA 0.191 4.532 4.340 0.003 0.000 0.340 194 Q C -0.886 175.173 176.000 0.098 0.000 0.899 194 Q CA -0.289 55.495 55.803 -0.032 0.000 1.139 194 Q CB 0.073 28.803 28.738 -0.014 0.000 1.273 194 Q HN 0.654 nan 8.270 nan 0.000 0.431 195 H N 0.965 120.017 119.070 -0.029 0.000 2.481 195 H HA 0.389 4.947 4.556 0.003 0.000 0.339 195 H C -0.418 174.895 175.328 -0.026 0.000 1.131 195 H CA -0.475 55.560 56.048 -0.021 0.000 1.301 195 H CB 1.270 31.028 29.762 -0.006 0.000 1.476 195 H HN 0.122 nan 8.280 nan 0.000 0.529 196 Q N 1.585 121.443 119.800 0.096 0.000 2.284 196 Q HA 0.243 4.585 4.340 0.003 0.000 0.269 196 Q C -0.134 175.887 176.000 0.034 0.000 1.026 196 Q CA -0.598 55.221 55.803 0.026 0.000 0.831 196 Q CB 1.837 30.577 28.738 0.004 0.000 1.322 196 Q HN 0.881 nan 8.270 nan 0.000 0.419 197 G N 4.040 112.834 108.800 -0.009 0.000 2.404 197 G HA2 0.104 4.065 3.960 0.003 0.000 0.213 197 G HA3 0.104 4.065 3.960 0.003 0.000 0.213 197 G C 0.388 175.262 174.900 -0.043 0.000 1.189 197 G CA 0.428 45.487 45.100 -0.068 0.000 0.796 197 G HN 0.533 nan 8.290 nan 0.000 0.532 198 I N -0.575 119.958 120.570 -0.062 0.000 2.545 198 I HA 0.424 4.596 4.170 0.003 0.000 0.292 198 I C -1.688 174.512 176.117 0.139 0.000 1.040 198 I CA -0.930 60.414 61.300 0.073 0.000 1.068 198 I CB 2.818 40.855 38.000 0.061 0.000 1.251 198 I HN 0.021 nan 8.210 nan 0.000 0.424 199 F N 7.893 127.917 119.950 0.124 0.000 2.427 199 F HA 0.627 5.155 4.527 0.002 0.000 0.348 199 F C -0.726 175.252 175.800 0.297 0.000 1.125 199 F CA -0.807 57.284 58.000 0.153 0.000 0.989 199 F CB 1.414 40.511 39.000 0.161 0.000 1.165 199 F HN 0.348 nan 8.300 nan 0.000 0.442 200 M N 7.644 127.043 119.600 -0.334 0.000 2.151 200 M HA 0.275 4.756 4.480 0.003 0.000 0.290 200 M C -0.203 175.861 176.300 -0.392 0.000 0.965 200 M CA -0.248 54.926 55.300 -0.210 0.000 0.930 200 M CB 1.410 34.095 32.600 0.143 0.000 1.560 200 M HN 0.766 nan 8.290 nan 0.000 0.438 201 E N 2.688 122.667 120.200 -0.368 0.000 2.307 201 E HA 0.109 4.461 4.350 0.003 0.000 0.195 201 E C -0.609 176.146 176.600 0.258 0.000 0.975 201 E CA 0.573 56.899 56.400 -0.124 0.000 0.878 201 E CB 0.314 30.002 29.700 -0.021 0.000 0.845 201 E HN 0.840 nan 8.360 nan 0.000 0.488 202 N N -0.754 118.069 118.700 0.205 0.000 3.339 202 N HA 0.525 5.267 4.740 0.003 0.000 0.275 202 N C -0.156 175.426 175.510 0.120 0.000 1.514 202 N CA -0.176 53.084 53.050 0.350 0.000 0.879 202 N CB 1.060 39.788 38.487 0.401 0.000 1.557 202 N HN 0.172 nan 8.380 nan 0.000 0.524 203 G N -1.472 107.390 108.800 0.103 0.000 2.347 203 G HA2 0.400 4.361 3.960 0.003 0.000 0.341 203 G HA3 0.400 4.361 3.960 0.003 0.000 0.341 203 G C -1.618 173.225 174.900 -0.094 0.000 1.287 203 G CA -0.163 44.916 45.100 -0.035 0.000 0.984 203 G HN 1.382 nan 8.290 nan 0.000 0.526 204 S N -0.010 115.602 115.700 -0.147 0.000 2.216 204 S HA 0.628 5.100 4.470 0.003 0.000 0.156 204 S C 0.739 175.144 174.600 -0.324 0.000 1.665 204 S CA 0.834 58.933 58.200 -0.169 0.000 1.262 204 S CB -0.350 62.825 63.200 -0.040 0.000 1.207 204 S HN 1.917 nan 8.310 nan 0.000 0.427 205 G N 1.203 109.697 108.800 -0.509 0.000 2.588 205 G HA2 0.698 4.660 3.960 0.003 0.000 0.278 205 G HA3 0.698 4.660 3.960 0.003 0.000 0.278 205 G C 0.419 174.759 174.900 -0.933 0.000 1.307 205 G CA -0.024 44.411 45.100 -1.109 0.000 1.016 205 G HN 1.431 nan 8.290 nan 0.000 0.503 206 G N -2.316 105.872 108.800 -1.022 0.000 2.316 206 G HA2 0.465 4.426 3.960 0.003 0.000 0.468 206 G HA3 0.465 4.426 3.960 0.003 0.000 0.468 206 G C -1.560 172.753 174.900 -0.979 0.000 1.523 206 G CA -0.490 43.738 45.100 -1.455 0.000 0.972 206 G HN 1.306 nan 8.290 nan 0.000 0.667 207 F N 1.546 121.246 119.950 -0.417 0.000 2.569 207 F HA 0.854 5.383 4.527 0.003 0.000 0.312 207 F C -0.835 175.192 175.800 0.378 0.000 1.109 207 F CA -1.065 56.965 58.000 0.050 0.000 0.919 207 F CB 1.885 40.924 39.000 0.065 0.000 1.211 207 F HN 0.875 nan 8.300 nan 0.000 0.446 208 L N 3.292 124.001 121.223 -0.856 0.000 2.424 208 L HA 1.142 5.484 4.340 0.003 0.000 0.258 208 L C -0.770 175.568 176.870 -0.887 0.000 0.995 208 L CA -0.662 53.802 54.840 -0.626 0.000 0.821 208 L CB 1.704 43.706 42.059 -0.095 0.000 1.383 208 L HN 0.877 nan 8.230 nan 0.000 0.410 209 G N -0.992 107.619 108.800 -0.315 0.000 2.559 209 G HA2 0.512 4.474 3.960 0.003 0.000 0.291 209 G HA3 0.512 4.474 3.960 0.003 0.000 0.291 209 G C -1.672 173.281 174.900 0.089 0.000 1.424 209 G CA -0.212 44.866 45.100 -0.037 0.000 0.786 209 G HN 0.903 nan 8.290 nan 0.000 0.485 210 D N -0.525 119.942 120.400 0.112 0.000 2.760 210 D HA -0.145 4.496 4.640 0.003 0.000 0.244 210 D C -0.053 176.245 176.300 -0.004 0.000 1.123 210 D CA 1.075 55.115 54.000 0.067 0.000 0.719 210 D CB -1.161 39.685 40.800 0.077 0.000 1.045 210 D HN 0.422 nan 8.370 nan 0.000 0.426 211 L N -0.718 120.496 121.223 -0.015 0.000 2.354 211 L HA 0.721 5.063 4.340 0.003 0.000 0.269 211 L C 0.327 177.093 176.870 -0.173 0.000 1.005 211 L CA -1.187 53.585 54.840 -0.114 0.000 0.819 211 L CB 2.369 44.364 42.059 -0.107 0.000 1.311 211 L HN -0.222 nan 8.230 nan 0.000 0.423 212 V N 1.735 121.489 119.914 -0.266 0.000 2.588 212 V HA 0.481 4.602 4.120 0.003 0.000 0.304 212 V C -0.944 174.979 176.094 -0.284 0.000 1.042 212 V CA -0.431 61.752 62.300 -0.196 0.000 0.877 212 V CB 1.870 33.631 31.823 -0.105 0.000 0.996 212 V HN 0.404 nan 8.190 nan 0.000 0.425 213 F N 3.176 123.026 119.950 -0.167 0.000 2.449 213 F HA 0.552 5.080 4.527 0.003 0.000 0.342 213 F C 0.427 176.224 175.800 -0.005 0.000 1.127 213 F CA -0.582 57.368 58.000 -0.083 0.000 0.975 213 F CB 1.724 40.578 39.000 -0.242 0.000 1.146 213 F HN 0.376 nan 8.300 nan 0.000 0.444 214 N N 2.792 121.604 118.700 0.187 0.000 2.443 214 N HA 0.553 5.294 4.740 0.003 0.000 0.269 214 N C 0.297 175.887 175.510 0.133 0.000 0.985 214 N CA 0.121 53.248 53.050 0.128 0.000 0.921 214 N CB 1.815 40.345 38.487 0.072 0.000 1.195 214 N HN 0.917 nan 8.380 nan 0.000 0.492 215 G N 1.254 110.123 108.800 0.115 0.000 2.632 215 G HA2 0.279 4.240 3.960 0.003 0.000 0.224 215 G HA3 0.279 4.240 3.960 0.003 0.000 0.224 215 G C 0.020 174.978 174.900 0.098 0.000 1.341 215 G CA 0.093 45.247 45.100 0.090 0.000 0.880 215 G HN 1.268 nan 8.290 nan 0.000 0.566 216 G N -1.590 107.258 108.800 0.079 0.000 2.730 216 G HA2 0.177 4.138 3.960 0.003 0.000 0.686 216 G HA3 0.177 4.138 3.960 0.003 0.000 0.686 216 G C 0.443 175.343 174.900 0.000 0.000 1.343 216 G CA 0.756 45.900 45.100 0.074 0.000 0.826 216 G HN 2.116 nan 8.290 nan 0.000 0.582 217 N N -0.615 118.075 118.700 -0.017 0.000 2.142 217 N HA 0.050 4.791 4.740 0.003 0.000 0.186 217 N C 0.926 176.382 175.510 -0.091 0.000 1.023 217 N CA 1.823 54.840 53.050 -0.056 0.000 0.852 217 N CB -0.035 38.420 38.487 -0.054 0.000 0.998 217 N HN 0.655 nan 8.380 nan 0.000 0.424 218 I N -0.846 119.668 120.570 -0.094 0.000 2.534 218 I HA 0.287 4.459 4.170 0.003 0.000 0.288 218 I C 1.094 177.089 176.117 -0.203 0.000 1.077 218 I CA -0.872 60.319 61.300 -0.181 0.000 1.051 218 I CB 2.217 40.112 38.000 -0.174 0.000 1.234 218 I HN 0.012 nan 8.210 nan 0.000 0.425 219 G N 4.580 113.184 108.800 -0.326 0.000 2.453 219 G HA2 0.200 4.161 3.960 0.003 0.000 0.215 219 G HA3 0.200 4.161 3.960 0.003 0.000 0.215 219 G C 0.453 174.990 174.900 -0.605 0.000 1.201 219 G CA 0.944 45.799 45.100 -0.409 0.000 0.784 219 G HN 0.700 nan 8.290 nan 0.000 0.545 220 A N -1.061 121.333 122.820 -0.710 0.000 2.437 220 A HA 0.637 4.959 4.320 0.003 0.000 0.293 220 A C -0.676 176.402 177.584 -0.843 0.000 1.038 220 A CA -0.367 51.166 52.037 -0.841 0.000 0.708 220 A CB 1.406 19.625 19.000 -1.301 0.000 1.251 220 A HN 0.054 nan 8.150 nan 0.000 0.409 221 T N 3.026 117.278 114.554 -0.503 0.000 2.733 221 T HA 0.579 4.930 4.350 0.003 0.000 0.294 221 T C -1.066 173.442 174.700 -0.320 0.000 0.956 221 T CA 0.425 62.336 62.100 -0.315 0.000 0.987 221 T CB -0.403 68.496 68.868 0.053 0.000 0.920 221 T HN 0.311 nan 8.240 nan 0.000 0.470 222 F N 1.891 121.713 119.950 -0.213 0.000 2.467 222 F HA 0.673 5.201 4.527 0.002 0.000 0.336 222 F C 0.708 176.296 175.800 -0.353 0.000 1.123 222 F CA -1.447 56.381 58.000 -0.286 0.000 0.964 222 F CB 2.077 40.746 39.000 -0.551 0.000 1.136 222 F HN 0.617 nan 8.300 nan 0.000 0.447 223 G N 3.484 112.230 108.800 -0.091 0.000 2.719 223 G HA2 0.488 4.450 3.960 0.003 0.000 0.284 223 G HA3 0.488 4.450 3.960 0.003 0.000 0.284 223 G C -1.821 172.760 174.900 -0.532 0.000 1.488 223 G CA -0.530 44.294 45.100 -0.459 0.000 1.139 223 G HN 0.575 nan 8.290 nan 0.000 0.552 224 N N 1.218 119.292 118.700 -1.044 0.000 3.171 224 N HA 0.016 4.758 4.740 0.003 0.000 0.239 224 N C 0.802 175.784 175.510 -0.880 0.000 1.275 224 N CA -0.467 52.210 53.050 -0.622 0.000 0.920 224 N CB 1.510 40.046 38.487 0.081 0.000 1.554 224 N HN 0.427 nan 8.380 nan 0.000 0.504 225 Q N -0.024 119.335 119.800 -0.736 0.000 2.077 225 Q HA -0.155 4.187 4.340 0.003 0.000 0.206 225 Q C 0.121 176.029 176.000 -0.153 0.000 0.989 225 Q CA 1.717 57.088 55.803 -0.720 0.000 0.853 225 Q CB -0.001 28.291 28.738 -0.744 0.000 0.907 225 Q HN 0.656 nan 8.270 nan 0.000 0.418 226 Q N -1.713 117.971 119.800 -0.193 0.000 2.527 226 Q HA 0.462 4.804 4.340 0.003 0.000 0.280 226 Q C -1.655 173.843 176.000 -0.837 0.000 0.977 226 Q CA -0.560 55.049 55.803 -0.322 0.000 0.837 226 Q CB 1.036 29.779 28.738 0.008 0.000 1.454 226 Q HN 0.137 nan 8.270 nan 0.000 0.387 227 F N -0.261 118.825 119.950 -1.441 0.000 2.719 227 F HA 0.536 5.065 4.527 0.003 0.000 0.309 227 F C -1.036 174.263 175.800 -0.835 0.000 1.138 227 F CA -0.257 56.927 58.000 -1.359 0.000 0.943 227 F CB 2.730 40.229 39.000 -2.502 0.000 1.304 227 F HN 0.580 nan 8.300 nan 0.000 0.445 228 T N 2.767 117.180 114.554 -0.234 0.000 2.807 228 T HA 0.697 5.049 4.350 0.003 0.000 0.279 228 T C -1.354 173.300 174.700 -0.076 0.000 0.993 228 T CA -0.598 61.483 62.100 -0.032 0.000 0.970 228 T CB 1.731 70.719 68.868 0.201 0.000 0.950 228 T HN 0.302 nan 8.240 nan 0.000 0.441 229 V N 3.663 123.503 119.914 -0.124 0.000 2.531 229 V HA 0.631 4.752 4.120 0.003 0.000 0.301 229 V C -0.229 175.928 176.094 0.105 0.000 1.034 229 V CA -0.844 61.362 62.300 -0.157 0.000 0.865 229 V CB 1.898 33.567 31.823 -0.257 0.000 0.995 229 V HN 0.737 nan 8.190 nan 0.000 0.424 230 R N 4.378 124.948 120.500 0.117 0.000 2.532 230 R HA 0.451 4.793 4.340 0.003 0.000 0.297 230 R C -0.208 176.242 176.300 0.250 0.000 0.984 230 R CA -0.510 55.768 56.100 0.296 0.000 0.884 230 R CB 0.949 31.551 30.300 0.504 0.000 1.182 230 R HN 0.787 nan 8.270 nan 0.000 0.442 231 N N 3.063 121.909 118.700 0.244 0.000 2.699 231 N HA -0.180 4.562 4.740 0.003 0.000 0.257 231 N C -2.145 173.460 175.510 0.158 0.000 1.077 231 N CA 0.473 53.636 53.050 0.187 0.000 0.702 231 N CB -0.568 38.016 38.487 0.162 0.000 0.886 231 N HN 0.409 nan 8.380 nan 0.000 0.549 232 L N 1.084 122.425 121.223 0.198 0.000 2.329 232 L HA 0.610 4.952 4.340 0.003 0.000 0.279 232 L C 0.458 177.363 176.870 0.058 0.000 1.014 232 L CA -0.234 54.679 54.840 0.122 0.000 0.814 232 L CB 1.923 44.121 42.059 0.231 0.000 1.257 232 L HN 0.256 nan 8.230 nan 0.000 0.424 233 T N 3.477 117.980 114.554 -0.084 0.000 2.824 233 T HA 0.650 5.002 4.350 0.003 0.000 0.282 233 T C -0.887 173.714 174.700 -0.166 0.000 0.993 233 T CA -0.208 61.879 62.100 -0.023 0.000 0.967 233 T CB 0.574 69.454 68.868 0.021 0.000 0.960 233 T HN 0.083 nan 8.240 nan 0.000 0.441 234 F N 2.761 122.777 119.950 0.111 0.000 2.493 234 F HA 0.493 5.022 4.527 0.003 0.000 0.329 234 F C 0.514 176.337 175.800 0.039 0.000 1.126 234 F CA -1.043 56.997 58.000 0.066 0.000 0.937 234 F CB 1.556 40.493 39.000 -0.105 0.000 1.146 234 F HN 0.332 nan 8.300 nan 0.000 0.442 235 N N 3.808 122.632 118.700 0.206 0.000 2.354 235 N HA 0.232 4.973 4.740 0.003 0.000 0.287 235 N C -0.607 174.962 175.510 0.099 0.000 1.016 235 N CA -0.507 52.615 53.050 0.121 0.000 0.871 235 N CB 1.580 40.118 38.487 0.085 0.000 1.299 235 N HN 0.643 nan 8.380 nan 0.000 0.482 236 N N -0.720 118.016 118.700 0.061 0.000 2.747 236 N HA -0.184 4.558 4.740 0.003 0.000 0.249 236 N C -0.446 175.080 175.510 0.027 0.000 1.107 236 N CA 0.618 53.688 53.050 0.035 0.000 0.707 236 N CB -1.075 37.432 38.487 0.033 0.000 1.054 236 N HN 0.660 nan 8.380 nan 0.000 0.555 237 A N -0.004 122.828 122.820 0.019 0.000 2.286 237 A HA 0.457 4.779 4.320 0.003 0.000 0.286 237 A C 1.377 178.923 177.584 -0.063 0.000 1.097 237 A CA -0.121 51.903 52.037 -0.022 0.000 0.821 237 A CB 0.682 19.650 19.000 -0.054 0.000 1.076 237 A HN 0.177 nan 8.150 nan 0.000 0.490 238 N N -0.196 118.457 118.700 -0.078 0.000 2.028 238 N HA -0.046 4.696 4.740 0.003 0.000 0.194 238 N C 0.151 175.579 175.510 -0.136 0.000 1.050 238 N CA 1.875 54.870 53.050 -0.092 0.000 0.848 238 N CB -0.032 38.403 38.487 -0.088 0.000 1.038 238 N HN 0.614 nan 8.380 nan 0.000 0.423 239 T N -0.106 114.336 114.554 -0.186 0.000 2.809 239 T HA 0.591 4.943 4.350 0.003 0.000 0.284 239 T C 0.680 175.133 174.700 -0.411 0.000 0.992 239 T CA -0.290 61.645 62.100 -0.275 0.000 0.957 239 T CB 1.793 70.504 68.868 -0.261 0.000 0.942 239 T HN 0.237 nan 8.240 nan 0.000 0.439 240 A N 3.952 126.423 122.820 -0.582 0.000 1.855 240 A HA 0.251 4.573 4.320 0.003 0.000 0.215 240 A C 0.694 177.519 177.584 -1.265 0.000 1.191 240 A CA 1.055 52.457 52.037 -1.059 0.000 0.613 240 A CB -0.237 17.929 19.000 -1.391 0.000 0.829 240 A HN 0.765 nan 8.150 nan 0.000 0.442 241 I N -0.073 119.847 120.570 -1.083 0.000 2.468 241 I HA 0.188 4.360 4.170 0.003 0.000 0.285 241 I C -0.576 175.160 176.117 -0.635 0.000 1.039 241 I CA -0.266 60.458 61.300 -0.959 0.000 1.074 241 I CB 1.796 39.099 38.000 -1.161 0.000 1.228 241 I HN 0.338 nan 8.210 nan 0.000 0.436 242 N N 6.207 124.598 118.700 -0.515 0.000 2.589 242 N HA 0.486 5.227 4.740 0.003 0.000 0.232 242 N C -0.695 174.648 175.510 -0.278 0.000 1.015 242 N CA -0.301 52.549 53.050 -0.334 0.000 0.931 242 N CB 1.033 39.371 38.487 -0.248 0.000 1.150 242 N HN 0.702 nan 8.380 nan 0.000 0.512 243 A N 4.967 127.634 122.820 -0.255 0.000 2.294 243 A HA 0.253 4.575 4.320 0.003 0.000 0.316 243 A C 1.363 178.872 177.584 -0.125 0.000 1.359 243 A CA -0.772 51.132 52.037 -0.222 0.000 0.956 243 A CB -0.192 18.645 19.000 -0.271 0.000 1.155 243 A HN 0.843 nan 8.150 nan 0.000 0.544 244 I N 0.608 121.147 120.570 -0.052 0.000 2.585 244 I HA 0.289 4.460 4.170 0.003 0.000 0.254 244 I C 0.500 176.770 176.117 0.255 0.000 1.129 244 I CA -0.033 61.326 61.300 0.098 0.000 1.455 244 I CB 0.105 38.201 38.000 0.161 0.000 1.111 244 I HN 0.740 nan 8.210 nan 0.000 0.433 245 W N 2.768 124.075 121.300 0.012 0.000 3.275 245 W HA 0.546 5.207 4.660 0.002 0.000 0.306 245 W C -2.228 174.328 176.519 0.061 0.000 1.259 245 W CA -1.085 56.299 57.345 0.065 0.000 1.194 245 W CB 0.302 29.814 29.460 0.087 0.000 1.375 245 W HN 0.246 nan 8.180 nan 0.000 0.564 246 N N -0.482 118.324 118.700 0.177 0.000 3.179 246 N HA 0.400 5.142 4.740 0.003 0.000 0.250 246 N C -0.559 175.261 175.510 0.517 0.000 1.507 246 N CA -0.575 52.462 53.050 -0.022 0.000 0.883 246 N CB 0.688 39.157 38.487 -0.029 0.000 1.435 246 N HN 0.339 nan 8.380 nan 0.000 0.532 247 W N -0.392 121.122 121.300 0.357 0.000 2.630 247 W HA 0.558 5.219 4.660 0.002 0.000 0.275 247 W C 0.431 177.155 176.519 0.341 0.000 1.192 247 W CA 1.118 58.686 57.345 0.372 0.000 1.410 247 W CB -0.440 29.238 29.460 0.363 0.000 1.075 247 W HN 0.823 nan 8.180 nan 0.000 0.581 248 G N -1.055 108.100 108.800 0.591 0.000 2.657 248 G HA2 0.389 4.350 3.960 0.003 0.000 0.303 248 G HA3 0.389 4.350 3.960 0.003 0.000 0.303 248 G C -2.227 173.009 174.900 0.560 0.000 1.457 248 G CA -0.804 44.585 45.100 0.482 0.000 0.982 248 G HN -0.129 nan 8.290 nan 0.000 0.583 249 W N 0.305 121.692 121.300 0.146 0.000 2.902 249 W HA 0.781 5.443 4.660 0.003 0.000 0.346 249 W C -0.042 176.545 176.519 0.112 0.000 1.139 249 W CA -0.827 56.563 57.345 0.076 0.000 1.139 249 W CB 2.278 31.743 29.460 0.009 0.000 1.439 249 W HN 0.463 nan 8.180 nan 0.000 0.558 250 T N 2.441 117.154 114.554 0.266 0.000 2.792 250 T HA 0.561 4.913 4.350 0.003 0.000 0.280 250 T C -1.307 173.525 174.700 0.220 0.000 0.990 250 T CA -0.391 61.904 62.100 0.325 0.000 0.960 250 T CB 0.319 69.383 68.868 0.327 0.000 0.939 250 T HN -0.001 nan 8.240 nan 0.000 0.439 251 F N 2.602 122.819 119.950 0.444 0.000 2.426 251 F HA 0.494 5.023 4.527 0.003 0.000 0.348 251 F C 0.513 176.557 175.800 0.406 0.000 1.124 251 F CA -0.772 57.493 58.000 0.442 0.000 1.008 251 F CB 1.679 40.981 39.000 0.504 0.000 1.139 251 F HN 0.320 nan 8.300 nan 0.000 0.452 252 Q N 3.290 123.380 119.800 0.484 0.000 2.337 252 Q HA 0.485 4.827 4.340 0.003 0.000 0.270 252 Q C -0.339 175.847 176.000 0.310 0.000 1.043 252 Q CA -1.092 54.923 55.803 0.354 0.000 0.794 252 Q CB 1.452 30.377 28.738 0.312 0.000 1.281 252 Q HN 0.657 nan 8.270 nan 0.000 0.446 253 R N 2.598 123.241 120.500 0.239 0.000 3.209 253 R HA -0.133 4.208 4.340 0.003 0.000 0.252 253 R C -1.486 174.964 176.300 0.250 0.000 0.958 253 R CA 0.369 56.587 56.100 0.197 0.000 0.651 253 R CB -1.472 28.922 30.300 0.157 0.000 1.142 253 R HN 0.512 nan 8.270 nan 0.000 0.441 254 I N 0.833 121.587 120.570 0.306 0.000 2.428 254 I HA 0.392 4.563 4.170 0.003 0.000 0.296 254 I C 0.694 176.969 176.117 0.265 0.000 0.985 254 I CA -0.180 61.337 61.300 0.361 0.000 1.260 254 I CB 1.797 40.110 38.000 0.522 0.000 1.389 254 I HN 0.238 nan 8.210 nan 0.000 0.484 255 T N 6.899 121.605 114.554 0.254 0.000 2.848 255 T HA 0.681 5.033 4.350 0.003 0.000 0.285 255 T C -0.169 174.672 174.700 0.236 0.000 0.995 255 T CA -0.310 61.900 62.100 0.183 0.000 0.970 255 T CB 1.583 70.524 68.868 0.122 0.000 0.976 255 T HN 0.273 nan 8.240 nan 0.000 0.441 256 I N 3.942 124.614 120.570 0.170 0.000 2.468 256 I HA 0.383 4.555 4.170 0.003 0.000 0.285 256 I C -0.752 175.417 176.117 0.087 0.000 1.039 256 I CA -0.835 60.559 61.300 0.157 0.000 1.074 256 I CB 1.482 39.547 38.000 0.110 0.000 1.228 256 I HN 0.438 nan 8.210 nan 0.000 0.436 257 N N 5.586 124.339 118.700 0.088 0.000 2.354 257 N HA 0.326 5.067 4.740 0.003 0.000 0.287 257 N C -0.563 174.971 175.510 0.039 0.000 1.016 257 N CA -0.703 52.377 53.050 0.051 0.000 0.871 257 N CB 1.648 40.165 38.487 0.051 0.000 1.299 257 N HN 0.564 nan 8.380 nan 0.000 0.482 258 N N -0.643 118.068 118.700 0.019 0.000 2.740 258 N HA -0.166 4.576 4.740 0.003 0.000 0.248 258 N C -0.937 174.573 175.510 0.001 0.000 1.062 258 N CA 0.555 53.610 53.050 0.009 0.000 0.704 258 N CB -1.338 37.157 38.487 0.013 0.000 0.968 258 N HN 0.478 nan 8.380 nan 0.000 0.547 259 C N -0.226 119.068 119.300 -0.010 0.000 2.401 259 C HA 0.342 4.804 4.460 0.003 0.000 0.356 259 C C 1.774 176.737 174.990 -0.045 0.000 1.192 259 C CA -0.801 58.194 59.018 -0.039 0.000 2.028 259 C CB 1.850 29.544 27.740 -0.077 0.000 2.344 259 C HN 0.356 nan 8.230 nan 0.000 0.525 260 Q N 0.271 120.033 119.800 -0.064 0.000 2.062 260 Q HA 0.130 4.472 4.340 0.003 0.000 0.196 260 Q C 0.130 176.088 176.000 -0.069 0.000 0.967 260 Q CA 1.220 56.988 55.803 -0.059 0.000 0.832 260 Q CB -0.118 28.582 28.738 -0.063 0.000 0.899 260 Q HN 0.614 nan 8.270 nan 0.000 0.442 261 V N -0.240 119.608 119.914 -0.109 0.000 2.709 261 V HA 0.511 4.633 4.120 0.003 0.000 0.308 261 V C 0.815 176.791 176.094 -0.197 0.000 1.062 261 V CA -0.130 62.091 62.300 -0.132 0.000 0.901 261 V CB 1.690 33.422 31.823 -0.153 0.000 1.003 261 V HN 0.310 nan 8.190 nan 0.000 0.425 262 G N 2.938 111.644 108.800 -0.157 0.000 2.624 262 G HA2 0.077 4.039 3.960 0.003 0.000 0.216 262 G HA3 0.077 4.039 3.960 0.003 0.000 0.216 262 G C 0.042 174.628 174.900 -0.523 0.000 1.274 262 G CA 0.377 45.332 45.100 -0.241 0.000 0.856 262 G HN 0.448 nan 8.290 nan 0.000 0.555 263 F N 1.227 120.869 119.950 -0.514 0.000 2.385 263 F HA 0.387 4.915 4.527 0.003 0.000 0.360 263 F C -0.565 174.920 175.800 -0.525 0.000 1.122 263 F CA -0.840 56.800 58.000 -0.600 0.000 1.090 263 F CB 1.792 40.341 39.000 -0.752 0.000 1.150 263 F HN -0.014 nan 8.300 nan 0.000 0.472 264 D N 5.237 125.439 120.400 -0.330 0.000 2.443 264 D HA 0.339 4.981 4.640 0.003 0.000 0.221 264 D C -0.778 175.345 176.300 -0.295 0.000 1.097 264 D CA -0.082 53.750 54.000 -0.280 0.000 0.865 264 D CB 0.658 41.319 40.800 -0.231 0.000 1.034 264 D HN 0.369 nan 8.370 nan 0.000 0.511 265 L N 2.888 123.878 121.223 -0.388 0.000 2.272 265 L HA 0.365 4.707 4.340 0.003 0.000 0.289 265 L C 0.577 177.347 176.870 -0.167 0.000 1.032 265 L CA -0.701 53.854 54.840 -0.476 0.000 0.810 265 L CB 1.650 42.982 42.059 -1.212 0.000 1.205 265 L HN 0.127 nan 8.230 nan 0.000 0.422 266 T N 2.896 117.436 114.554 -0.022 0.000 2.761 266 T HA 0.077 4.429 4.350 0.003 0.000 0.296 266 T C 0.024 174.913 174.700 0.315 0.000 0.934 266 T CA -0.080 62.101 62.100 0.136 0.000 1.091 266 T CB 0.800 69.741 68.868 0.122 0.000 0.896 266 T HN 0.491 nan 8.240 nan 0.000 0.515 267 Q N 2.636 122.659 119.800 0.372 0.000 2.279 267 Q HA 0.499 4.841 4.340 0.003 0.000 0.256 267 Q C 0.379 176.510 176.000 0.219 0.000 0.937 267 Q CA -0.583 55.435 55.803 0.359 0.000 0.933 267 Q CB 0.689 29.579 28.738 0.253 0.000 1.189 267 Q HN 0.847 nan 8.270 nan 0.000 0.417 268 G N 2.076 111.002 108.800 0.210 0.000 2.736 268 G HA2 0.631 4.592 3.960 0.003 0.000 0.229 268 G HA3 0.631 4.592 3.960 0.003 0.000 0.229 268 G C -0.294 174.677 174.900 0.119 0.000 1.380 268 G CA -0.297 44.901 45.100 0.162 0.000 1.040 268 G HN 0.732 nan 8.290 nan 0.000 0.568 269 G N -2.124 106.741 108.800 0.107 0.000 2.535 269 G HA2 0.424 4.386 3.960 0.003 0.000 0.303 269 G HA3 0.424 4.386 3.960 0.003 0.000 0.303 269 G C 0.937 175.889 174.900 0.087 0.000 1.237 269 G CA 0.719 45.869 45.100 0.083 0.000 0.986 269 G HN 0.929 nan 8.290 nan 0.000 0.494 270 T N -3.174 111.417 114.554 0.061 0.000 3.022 270 T HA 0.223 4.575 4.350 0.003 0.000 0.250 270 T C 1.280 175.985 174.700 0.009 0.000 1.060 270 T CA 0.571 62.698 62.100 0.045 0.000 1.013 270 T CB 0.127 69.013 68.868 0.029 0.000 0.982 270 T HN 0.466 nan 8.240 nan 0.000 0.508 271 S N 2.730 118.433 115.700 0.005 0.000 2.565 271 S HA 0.216 4.688 4.470 0.003 0.000 0.274 271 S C 1.372 175.970 174.600 -0.003 0.000 1.309 271 S CA -0.607 57.582 58.200 -0.018 0.000 1.043 271 S CB 0.400 63.590 63.200 -0.017 0.000 0.939 271 S HN 0.540 nan 8.310 nan 0.000 0.504 272 N N 2.600 121.270 118.700 -0.051 0.000 2.521 272 N HA -0.063 4.678 4.740 0.003 0.000 0.188 272 N C 0.885 176.413 175.510 0.030 0.000 1.146 272 N CA 0.981 54.000 53.050 -0.052 0.000 0.893 272 N CB -0.494 37.839 38.487 -0.257 0.000 0.975 272 N HN 0.633 nan 8.380 nan 0.000 0.451 273 T N -5.244 109.319 114.554 0.016 0.000 3.040 273 T HA 0.418 4.770 4.350 0.003 0.000 0.266 273 T C 0.862 175.582 174.700 0.034 0.000 1.005 273 T CA -0.175 61.943 62.100 0.030 0.000 0.906 273 T CB 0.248 69.118 68.868 0.003 0.000 1.082 273 T HN 0.159 nan 8.240 nan 0.000 0.531 274 G N 1.061 109.886 108.800 0.041 0.000 2.671 274 G HA2 0.636 4.598 3.960 0.003 0.000 0.275 274 G HA3 0.636 4.598 3.960 0.003 0.000 0.275 274 G C -0.160 174.774 174.900 0.057 0.000 1.368 274 G CA -0.678 44.446 45.100 0.041 0.000 1.044 274 G HN 0.553 nan 8.290 nan 0.000 0.543 275 A N -0.533 122.320 122.820 0.055 0.000 2.520 275 A HA 0.451 4.773 4.320 0.003 0.000 0.245 275 A C 0.325 177.967 177.584 0.096 0.000 1.072 275 A CA 0.231 52.305 52.037 0.061 0.000 0.761 275 A CB 0.403 19.440 19.000 0.061 0.000 1.004 275 A HN 0.527 nan 8.150 nan 0.000 0.499 276 Q N 1.944 121.798 119.800 0.090 0.000 2.274 276 Q HA 0.562 4.904 4.340 0.003 0.000 0.256 276 Q C 0.349 176.485 176.000 0.227 0.000 0.927 276 Q CA 0.670 56.573 55.803 0.167 0.000 0.939 276 Q CB 1.214 30.019 28.738 0.112 0.000 1.201 276 Q HN 0.850 nan 8.270 nan 0.000 0.426 277 G N 1.547 110.528 108.800 0.301 0.000 3.135 277 G HA2 0.425 4.387 3.960 0.003 0.000 0.159 277 G HA3 0.425 4.387 3.960 0.003 0.000 0.159 277 G C -1.102 174.052 174.900 0.422 0.000 1.244 277 G CA -0.610 44.694 45.100 0.340 0.000 0.965 277 G HN 0.481 nan 8.290 nan 0.000 0.599 278 V N 1.777 121.915 119.914 0.373 0.000 2.397 278 V HA 0.330 4.452 4.120 0.003 0.000 0.262 278 V C 1.653 178.017 176.094 0.450 0.000 1.047 278 V CA 0.622 63.128 62.300 0.343 0.000 1.003 278 V CB 0.409 32.334 31.823 0.171 0.000 1.037 278 V HN 0.886 nan 8.190 nan 0.000 0.480 279 G N 4.036 113.094 108.800 0.430 0.000 2.394 279 G HA2 0.277 4.239 3.960 0.003 0.000 0.215 279 G HA3 0.277 4.239 3.960 0.003 0.000 0.215 279 G C 0.487 175.611 174.900 0.374 0.000 1.165 279 G CA 0.844 46.181 45.100 0.395 0.000 0.784 279 G HN 1.035 nan 8.290 nan 0.000 0.535 280 A N -0.462 122.581 122.820 0.372 0.000 2.513 280 A HA 0.635 4.957 4.320 0.003 0.000 0.296 280 A C -1.425 176.333 177.584 0.290 0.000 1.052 280 A CA -0.630 51.603 52.037 0.327 0.000 0.714 280 A CB 1.531 20.693 19.000 0.270 0.000 1.279 280 A HN 0.028 nan 8.150 nan 0.000 0.397 281 E N 0.749 121.098 120.200 0.247 0.000 2.222 281 E HA 0.662 5.013 4.350 0.003 0.000 0.267 281 E C -0.691 176.004 176.600 0.158 0.000 0.884 281 E CA -0.568 55.949 56.400 0.195 0.000 0.764 281 E CB 2.322 32.012 29.700 -0.017 0.000 1.169 281 E HN 0.938 nan 8.360 nan 0.000 0.413 282 A N 4.125 127.066 122.820 0.202 0.000 2.311 282 A HA 0.655 4.976 4.320 0.003 0.000 0.306 282 A C -0.483 177.363 177.584 0.437 0.000 1.189 282 A CA -0.606 51.477 52.037 0.076 0.000 0.791 282 A CB 0.211 18.980 19.000 -0.386 0.000 1.172 282 A HN 0.547 nan 8.150 nan 0.000 0.481 283 I N 3.220 124.073 120.570 0.471 0.000 2.406 283 I HA 0.502 4.674 4.170 0.003 0.000 0.290 283 I C -0.623 175.788 176.117 0.490 0.000 0.999 283 I CA -0.419 61.158 61.300 0.462 0.000 1.124 283 I CB 1.781 39.850 38.000 0.115 0.000 1.289 283 I HN 0.659 nan 8.210 nan 0.000 0.441 284 I N 5.773 126.566 120.570 0.372 0.000 2.499 284 I HA 0.373 4.544 4.170 0.003 0.000 0.288 284 I C -1.366 174.801 176.117 0.082 0.000 1.048 284 I CA -0.135 61.197 61.300 0.054 0.000 1.062 284 I CB 1.188 38.948 38.000 -0.399 0.000 1.238 284 I HN 0.588 nan 8.210 nan 0.000 0.426 285 D N 5.536 125.955 120.400 0.031 0.000 3.729 285 D HA -0.140 4.502 4.640 0.003 0.000 0.242 285 D C -0.788 175.569 176.300 0.095 0.000 1.091 285 D CA 1.219 55.242 54.000 0.038 0.000 1.096 285 D CB -0.538 40.274 40.800 0.020 0.000 0.901 285 D HN 0.722 nan 8.370 nan 0.000 0.416 286 A N 0.642 123.500 122.820 0.063 0.000 2.401 286 A HA 0.797 5.118 4.320 0.003 0.000 0.310 286 A C -0.352 177.212 177.584 -0.033 0.000 1.075 286 A CA -0.610 51.467 52.037 0.067 0.000 0.746 286 A CB 2.108 21.164 19.000 0.093 0.000 1.277 286 A HN 0.202 nan 8.150 nan 0.000 0.425 287 V N 1.988 121.896 119.914 -0.009 0.000 2.444 287 V HA 0.554 4.675 4.120 0.003 0.000 0.294 287 V C -0.727 175.332 176.094 -0.058 0.000 1.022 287 V CA -0.420 61.852 62.300 -0.046 0.000 0.850 287 V CB 1.517 33.339 31.823 -0.002 0.000 0.992 287 V HN 0.699 nan 8.190 nan 0.000 0.426 288 V N 3.870 123.706 119.914 -0.129 0.000 2.588 288 V HA 0.780 4.902 4.120 0.003 0.000 0.304 288 V C -0.056 175.994 176.094 -0.073 0.000 1.042 288 V CA -0.444 61.789 62.300 -0.111 0.000 0.877 288 V CB 2.223 33.892 31.823 -0.256 0.000 0.996 288 V HN 0.992 nan 8.190 nan 0.000 0.425 289 T N 0.467 115.005 114.554 -0.027 0.000 2.912 289 T HA 0.500 4.851 4.350 0.003 0.000 0.299 289 T C -0.128 174.567 174.700 -0.009 0.000 1.052 289 T CA -0.682 61.406 62.100 -0.020 0.000 0.996 289 T CB 1.487 70.349 68.868 -0.010 0.000 1.070 289 T HN 0.601 nan 8.240 nan 0.000 0.465 290 N N 0.803 119.496 118.700 -0.012 0.000 2.705 290 N HA -0.131 4.611 4.740 0.003 0.000 0.255 290 N C -0.665 174.842 175.510 -0.005 0.000 1.008 290 N CA 1.205 54.251 53.050 -0.008 0.000 0.742 290 N CB -1.306 37.179 38.487 -0.004 0.000 0.906 290 N HN 0.863 nan 8.380 nan 0.000 0.541 291 T N -0.158 114.394 114.554 -0.004 0.000 2.886 291 T HA 0.226 4.577 4.350 0.003 0.000 0.292 291 T C 1.114 175.815 174.700 0.003 0.000 1.012 291 T CA -0.578 61.523 62.100 0.001 0.000 0.982 291 T CB 2.795 71.674 68.868 0.018 0.000 1.018 291 T HN 0.013 nan 8.240 nan 0.000 0.451 292 Q N 1.716 121.512 119.800 -0.006 0.000 2.049 292 Q HA 0.019 4.360 4.340 0.003 0.000 0.198 292 Q C 0.119 176.120 176.000 0.002 0.000 0.971 292 Q CA 1.327 57.126 55.803 -0.007 0.000 0.833 292 Q CB 0.220 28.948 28.738 -0.017 0.000 0.896 292 Q HN 0.668 nan 8.270 nan 0.000 0.434 293 T N 0.785 115.340 114.554 0.003 0.000 2.879 293 T HA 0.200 4.552 4.350 0.003 0.000 0.290 293 T C 0.103 174.837 174.700 0.058 0.000 0.993 293 T CA -0.595 61.513 62.100 0.012 0.000 0.975 293 T CB 1.025 69.876 68.868 -0.028 0.000 0.981 293 T HN 0.072 nan 8.240 nan 0.000 0.439 294 F N 4.486 124.391 119.950 -0.075 0.000 2.039 294 F HA 0.229 4.758 4.527 0.002 0.000 0.294 294 F C 0.420 176.194 175.800 -0.044 0.000 1.130 294 F CA 0.947 58.913 58.000 -0.056 0.000 1.189 294 F CB 0.042 39.000 39.000 -0.070 0.000 0.983 294 F HN 0.301 nan 8.300 nan 0.000 0.471 295 V N 2.234 121.865 119.914 -0.471 0.000 2.487 295 V HA 0.423 4.545 4.120 0.003 0.000 0.298 295 V C -0.520 175.383 176.094 -0.318 0.000 1.028 295 V CA -0.798 61.157 62.300 -0.575 0.000 0.860 295 V CB 1.594 32.937 31.823 -0.800 0.000 0.991 295 V HN 0.174 nan 8.190 nan 0.000 0.427 296 R N 3.327 123.643 120.500 -0.306 0.000 2.480 296 R HA 0.456 4.798 4.340 0.003 0.000 0.306 296 R C -1.699 174.474 176.300 -0.211 0.000 0.958 296 R CA -0.505 55.493 56.100 -0.170 0.000 0.861 296 R CB 1.302 31.532 30.300 -0.116 0.000 1.171 296 R HN 0.674 nan 8.270 nan 0.000 0.445 297 W N 1.950 123.220 121.300 -0.050 0.000 2.449 297 W HA 0.155 4.817 4.660 0.002 0.000 0.331 297 W C 1.512 178.024 176.519 -0.012 0.000 1.119 297 W CA -0.325 57.007 57.345 -0.022 0.000 1.240 297 W CB 1.942 31.405 29.460 0.004 0.000 1.251 297 W HN 0.703 nan 8.180 nan 0.000 0.576 298 S N 1.287 117.156 115.700 0.282 0.000 2.481 298 S HA 0.224 4.696 4.470 0.003 0.000 0.231 298 S C 0.624 175.309 174.600 0.143 0.000 0.996 298 S CA 0.592 58.888 58.200 0.160 0.000 0.942 298 S CB -0.194 63.085 63.200 0.131 0.000 0.768 298 S HN 0.566 nan 8.310 nan 0.000 0.520 299 G N -0.402 108.501 108.800 0.172 0.000 2.692 299 G HA2 0.663 4.624 3.960 0.003 0.000 0.291 299 G HA3 0.663 4.624 3.960 0.003 0.000 0.291 299 G C -0.902 174.031 174.900 0.055 0.000 1.423 299 G CA -0.491 44.665 45.100 0.093 0.000 0.843 299 G HN 0.511 nan 8.290 nan 0.000 0.486 300 A N 0.079 122.908 122.820 0.015 0.000 2.287 300 A HA 0.802 5.123 4.320 0.003 0.000 0.273 300 A C 0.488 178.013 177.584 -0.098 0.000 1.091 300 A CA -0.125 51.900 52.037 -0.020 0.000 0.817 300 A CB 0.706 19.709 19.000 0.004 0.000 1.069 300 A HN 0.957 nan 8.150 nan 0.000 0.492 301 S N -0.387 115.245 115.700 -0.114 0.000 2.532 301 S HA 0.809 5.281 4.470 0.003 0.000 0.301 301 S C -0.367 174.173 174.600 -0.100 0.000 1.083 301 S CA -0.365 57.727 58.200 -0.181 0.000 1.025 301 S CB 1.461 64.575 63.200 -0.142 0.000 1.056 301 S HN 1.139 nan 8.310 nan 0.000 0.494 302 S N 0.282 115.826 115.700 -0.260 0.000 2.633 302 S HA 0.576 5.048 4.470 0.003 0.000 0.271 302 S C 0.406 174.796 174.600 -0.349 0.000 1.112 302 S CA 0.476 58.551 58.200 -0.208 0.000 0.828 302 S CB 0.623 63.859 63.200 0.060 0.000 1.086 302 S HN 1.643 nan 8.310 nan 0.000 0.461 303 G N 1.612 110.218 108.800 -0.324 0.000 2.454 303 G HA2 -0.153 3.809 3.960 0.003 0.000 0.225 303 G HA3 -0.153 3.809 3.960 0.003 0.000 0.225 303 G C -0.152 174.415 174.900 -0.555 0.000 1.138 303 G CA 1.326 46.284 45.100 -0.236 0.000 0.667 303 G HN 2.221 nan 8.290 nan 0.000 0.512 304 H N -1.737 116.679 119.070 -1.091 0.000 3.046 304 H HA 0.697 5.255 4.556 0.003 0.000 0.361 304 H C -0.448 174.283 175.328 -0.996 0.000 1.235 304 H CA -0.703 54.763 56.048 -0.971 0.000 1.146 304 H CB 0.920 30.428 29.762 -0.423 0.000 1.859 304 H HN 0.845 nan 8.280 nan 0.000 0.548 305 L N 1.623 122.605 121.223 -0.402 0.000 2.540 305 L HA 0.163 4.504 4.340 0.003 0.000 0.276 305 L C -0.158 176.676 176.870 -0.060 0.000 1.212 305 L CA 1.109 55.931 54.840 -0.031 0.000 0.893 305 L CB 0.194 42.329 42.059 0.127 0.000 1.138 305 L HN 0.881 nan 8.230 nan 0.000 0.491 306 Q N 4.306 124.027 119.800 -0.132 0.000 4.082 306 Q HA 0.478 4.819 4.340 0.003 0.000 0.180 306 Q C -0.640 175.220 176.000 -0.232 0.000 0.863 306 Q CA 0.091 55.821 55.803 -0.120 0.000 0.772 306 Q CB 0.398 29.023 28.738 -0.189 0.000 1.527 306 Q HN 1.205 nan 8.270 nan 0.000 0.441 307 G N 1.436 110.154 108.800 -0.137 0.000 3.445 307 G HA2 -0.146 3.815 3.960 0.003 0.000 0.686 307 G HA3 -0.146 3.815 3.960 0.003 0.000 0.686 307 G C -0.873 173.915 174.900 -0.187 0.000 1.113 307 G CA -0.129 44.823 45.100 -0.247 0.000 0.974 307 G HN 0.376 nan 8.290 nan 0.000 0.492 308 S N 0.546 116.350 115.700 0.173 0.000 2.578 308 S HA 0.872 5.344 4.470 0.003 0.000 0.283 308 S C -0.276 174.553 174.600 0.382 0.000 1.195 308 S CA -0.546 57.779 58.200 0.209 0.000 1.050 308 S CB 1.432 64.745 63.200 0.188 0.000 1.012 308 S HN 1.796 nan 8.310 nan 0.000 0.511 309 L N 4.868 126.283 121.223 0.321 0.000 2.464 309 L HA 0.716 5.058 4.340 0.003 0.000 0.266 309 L C -1.680 175.351 176.870 0.267 0.000 0.965 309 L CA -0.363 54.688 54.840 0.352 0.000 0.833 309 L CB 1.958 44.339 42.059 0.536 0.000 1.296 309 L HN 0.485 nan 8.230 nan 0.000 0.405 310 V N 5.915 125.956 119.914 0.211 0.000 2.531 310 V HA 0.550 4.671 4.120 0.003 0.000 0.301 310 V C -0.461 175.815 176.094 0.303 0.000 1.034 310 V CA -0.519 61.913 62.300 0.219 0.000 0.865 310 V CB 1.783 33.657 31.823 0.085 0.000 0.995 310 V HN 0.608 nan 8.190 nan 0.000 0.424 311 L N 4.738 126.180 121.223 0.366 0.000 2.341 311 L HA 0.630 4.971 4.340 0.003 0.000 0.278 311 L C -0.208 176.832 176.870 0.285 0.000 1.005 311 L CA -0.307 54.737 54.840 0.340 0.000 0.818 311 L CB 1.755 44.009 42.059 0.327 0.000 1.259 311 L HN 0.694 nan 8.230 nan 0.000 0.418 312 N N 2.805 121.641 118.700 0.225 0.000 2.430 312 N HA 0.153 4.894 4.740 0.003 0.000 0.290 312 N C -0.738 174.787 175.510 0.025 0.000 1.063 312 N CA -0.454 52.643 53.050 0.079 0.000 0.883 312 N CB 1.156 39.607 38.487 -0.060 0.000 1.465 312 N HN 0.681 nan 8.380 nan 0.000 0.493 313 N N 3.171 121.882 118.700 0.017 0.000 2.648 313 N HA -0.141 4.601 4.740 0.003 0.000 0.265 313 N C -1.552 173.950 175.510 -0.014 0.000 1.100 313 N CA 0.451 53.498 53.050 -0.005 0.000 0.715 313 N CB -0.847 37.625 38.487 -0.024 0.000 0.881 313 N HN 0.480 nan 8.380 nan 0.000 0.548 314 I N 1.686 122.236 120.570 -0.033 0.000 2.328 314 I HA 0.195 4.366 4.170 0.003 0.000 0.287 314 I C 0.568 176.596 176.117 -0.148 0.000 1.012 314 I CA -0.220 61.006 61.300 -0.125 0.000 1.195 314 I CB 1.274 39.158 38.000 -0.194 0.000 1.350 314 I HN 0.295 nan 8.210 nan 0.000 0.464 315 Q N 6.516 126.229 119.800 -0.144 0.000 2.322 315 Q HA 0.554 4.895 4.340 0.003 0.000 0.256 315 Q C -0.902 175.002 176.000 -0.160 0.000 0.960 315 Q CA -0.325 55.408 55.803 -0.116 0.000 0.934 315 Q CB 1.908 30.603 28.738 -0.071 0.000 1.200 315 Q HN 0.520 nan 8.270 nan 0.000 0.435 316 L N 2.270 123.406 121.223 -0.146 0.000 2.307 316 L HA 0.564 4.906 4.340 0.003 0.000 0.284 316 L C -0.251 176.568 176.870 -0.085 0.000 1.023 316 L CA -0.586 54.167 54.840 -0.145 0.000 0.810 316 L CB 1.821 43.790 42.059 -0.150 0.000 1.231 316 L HN 0.502 nan 8.230 nan 0.000 0.423 317 T N 2.041 116.553 114.554 -0.070 0.000 2.890 317 T HA 0.273 4.625 4.350 0.003 0.000 0.295 317 T C -0.176 174.503 174.700 -0.035 0.000 0.993 317 T CA -0.592 61.482 62.100 -0.043 0.000 0.979 317 T CB 0.809 69.657 68.868 -0.033 0.000 0.967 317 T HN 0.624 nan 8.240 nan 0.000 0.441 318 N N 1.264 119.947 118.700 -0.028 0.000 2.714 318 N HA -0.127 4.615 4.740 0.003 0.000 0.253 318 N C -0.745 174.752 175.510 -0.021 0.000 1.024 318 N CA 0.344 53.382 53.050 -0.021 0.000 0.726 318 N CB -1.052 37.426 38.487 -0.015 0.000 0.908 318 N HN 0.455 nan 8.380 nan 0.000 0.542 319 V N 0.545 120.443 119.914 -0.027 0.000 2.289 319 V HA 0.176 4.298 4.120 0.003 0.000 0.272 319 V C -1.392 174.693 176.094 -0.014 0.000 1.026 319 V CA -1.188 61.100 62.300 -0.019 0.000 0.807 319 V CB 1.918 33.721 31.823 -0.033 0.000 1.044 319 V HN -0.019 nan 8.190 nan 0.000 0.443 320 P HA -0.097 nan 4.420 nan 0.000 0.216 320 P C 0.405 177.700 177.300 -0.009 0.000 1.153 320 P CA 1.245 64.340 63.100 -0.009 0.000 0.858 320 P CB 0.276 31.972 31.700 -0.007 0.000 0.789 321 V N -0.666 119.247 119.914 -0.002 0.000 2.378 321 V HA 0.456 4.577 4.120 0.003 0.000 0.288 321 V C 1.082 177.182 176.094 0.010 0.000 1.016 321 V CA -0.194 62.103 62.300 -0.005 0.000 0.840 321 V CB 0.851 32.671 31.823 -0.004 0.000 0.994 321 V HN -0.010 nan 8.190 nan 0.000 0.431 322 A N 4.955 127.764 122.820 -0.019 0.000 1.855 322 A HA 0.248 4.569 4.320 0.003 0.000 0.213 322 A C 0.779 178.339 177.584 -0.040 0.000 1.195 322 A CA 1.020 53.066 52.037 0.014 0.000 0.610 322 A CB 0.176 19.116 19.000 -0.100 0.000 0.837 322 A HN 0.621 nan 8.150 nan 0.000 0.444 323 V N -0.888 118.931 119.914 -0.158 0.000 2.577 323 V HA 0.675 4.797 4.120 0.003 0.000 0.303 323 V C 0.136 176.204 176.094 -0.042 0.000 1.042 323 V CA -0.039 62.165 62.300 -0.160 0.000 0.872 323 V CB 1.258 32.886 31.823 -0.327 0.000 0.998 323 V HN 0.628 nan 8.190 nan 0.000 0.423 324 G N 2.432 111.238 108.800 0.011 0.000 2.694 324 G HA2 0.688 4.649 3.960 0.003 0.000 0.290 324 G HA3 0.688 4.649 3.960 0.003 0.000 0.290 324 G C -1.692 173.270 174.900 0.103 0.000 1.386 324 G CA -0.651 44.478 45.100 0.048 0.000 0.872 324 G HN 0.512 nan 8.290 nan 0.000 0.475 325 V N 0.778 120.749 119.914 0.096 0.000 2.472 325 V HA 0.392 4.514 4.120 0.003 0.000 0.290 325 V C 0.542 176.676 176.094 0.068 0.000 1.037 325 V CA -0.917 61.451 62.300 0.114 0.000 0.908 325 V CB 1.626 33.508 31.823 0.099 0.000 0.985 325 V HN 0.763 nan 8.190 nan 0.000 0.454 326 K N 3.111 123.550 120.400 0.066 0.000 2.436 326 K HA 0.276 4.597 4.320 0.003 0.000 0.282 326 K C 1.124 177.743 176.600 0.032 0.000 1.044 326 K CA 1.014 57.322 56.287 0.034 0.000 1.028 326 K CB 0.044 32.560 32.500 0.028 0.000 0.919 326 K HN 1.139 nan 8.250 nan 0.000 0.474 327 G N 2.622 111.434 108.800 0.020 0.000 2.203 327 G HA2 -0.249 3.713 3.960 0.003 0.000 0.263 327 G HA3 -0.249 3.713 3.960 0.003 0.000 0.263 327 G C 0.224 175.137 174.900 0.022 0.000 1.012 327 G CA 0.311 45.422 45.100 0.017 0.000 0.749 327 G HN 0.986 nan 8.290 nan 0.000 0.512 328 G N -0.899 107.918 108.800 0.028 0.000 2.975 328 G HA2 0.847 4.808 3.960 0.003 0.000 0.291 328 G HA3 0.847 4.808 3.960 0.003 0.000 0.291 328 G C -2.750 172.170 174.900 0.033 0.000 1.334 328 G CA -0.187 44.932 45.100 0.033 0.000 0.843 328 G HN 0.337 nan 8.290 nan 0.000 0.548 329 P HA 0.303 nan 4.420 nan 0.000 0.276 329 P C -0.189 177.137 177.300 0.044 0.000 1.244 329 P CA -0.051 63.071 63.100 0.038 0.000 0.801 329 P CB 0.806 32.531 31.700 0.041 0.000 1.006 330 T N 1.123 115.698 114.554 0.035 0.000 2.902 330 T HA 0.081 4.433 4.350 0.003 0.000 0.301 330 T C 1.522 176.253 174.700 0.052 0.000 1.012 330 T CA -0.142 61.978 62.100 0.032 0.000 1.151 330 T CB 0.322 69.201 68.868 0.019 0.000 0.946 330 T HN 0.114 nan 8.240 nan 0.000 0.542 331 V N 2.939 122.889 119.914 0.060 0.000 2.788 331 V HA 0.264 4.386 4.120 0.003 0.000 0.241 331 V C 0.309 176.466 176.094 0.105 0.000 1.083 331 V CA 0.347 62.716 62.300 0.115 0.000 1.103 331 V CB 0.036 31.965 31.823 0.177 0.000 0.800 331 V HN 0.609 nan 8.190 nan 0.000 0.476 332 L N 0.751 121.950 121.223 -0.040 0.000 2.406 332 L HA 0.834 5.176 4.340 0.003 0.000 0.272 332 L C -0.028 176.784 176.870 -0.097 0.000 0.980 332 L CA -0.696 54.073 54.840 -0.118 0.000 0.831 332 L CB 1.105 42.855 42.059 -0.515 0.000 1.253 332 L HN 0.085 nan 8.230 nan 0.000 0.406 333 A N 3.261 126.058 122.820 -0.039 0.000 2.445 333 A HA 0.612 4.934 4.320 0.003 0.000 0.242 333 A C 0.634 178.189 177.584 -0.049 0.000 1.075 333 A CA 0.501 52.520 52.037 -0.029 0.000 0.777 333 A CB 0.104 19.101 19.000 -0.005 0.000 1.013 333 A HN 1.003 nan 8.150 nan 0.000 0.493 334 G N -0.176 108.602 108.800 -0.037 0.000 3.392 334 G HA2 0.698 4.659 3.960 0.003 0.000 0.188 334 G HA3 0.698 4.659 3.960 0.003 0.000 0.188 334 G C 0.694 175.575 174.900 -0.032 0.000 1.485 334 G CA 0.229 45.304 45.100 -0.042 0.000 0.943 334 G HN 2.218 nan 8.290 nan 0.000 0.627 335 G N -1.770 107.012 108.800 -0.031 0.000 2.541 335 G HA2 0.139 4.100 3.960 0.003 0.000 0.208 335 G HA3 0.139 4.100 3.960 0.003 0.000 0.208 335 G C -0.432 174.449 174.900 -0.032 0.000 1.191 335 G CA 0.346 45.431 45.100 -0.025 0.000 1.217 335 G HN 1.247 nan 8.290 nan 0.000 0.566 336 T N 1.166 115.704 114.554 -0.028 0.000 2.934 336 T HA 0.710 5.062 4.350 0.003 0.000 0.328 336 T C -0.443 174.239 174.700 -0.029 0.000 1.068 336 T CA 0.675 62.757 62.100 -0.031 0.000 1.018 336 T CB 1.190 70.044 68.868 -0.023 0.000 1.009 336 T HN 1.136 nan 8.240 nan 0.000 0.471 337 T N 1.606 116.137 114.554 -0.039 0.000 2.733 337 T HA 0.515 4.866 4.350 0.003 0.000 0.312 337 T C -1.439 173.234 174.700 -0.045 0.000 1.590 337 T CA -0.381 61.700 62.100 -0.033 0.000 1.005 337 T CB 1.716 70.568 68.868 -0.027 0.000 1.528 337 T HN 0.344 nan 8.240 nan 0.000 0.496 338 T N 2.537 117.072 114.554 -0.031 0.000 2.792 338 T HA 0.597 4.948 4.350 0.003 0.000 0.280 338 T C -0.186 174.504 174.700 -0.017 0.000 0.990 338 T CA -0.412 61.667 62.100 -0.035 0.000 0.960 338 T CB 0.431 69.285 68.868 -0.023 0.000 0.939 338 T HN 0.465 nan 8.240 nan 0.000 0.439 339 I N 4.019 124.575 120.570 -0.024 0.000 2.337 339 I HA 0.185 4.356 4.170 0.003 0.000 0.291 339 I C 1.564 177.707 176.117 0.043 0.000 1.046 339 I CA -0.543 60.768 61.300 0.018 0.000 1.324 339 I CB 0.732 38.736 38.000 0.008 0.000 1.409 339 I HN 0.619 nan 8.210 nan 0.000 0.494 340 N N 4.037 122.775 118.700 0.063 0.000 2.085 340 N HA -0.021 4.720 4.740 0.003 0.000 0.191 340 N C -0.027 175.531 175.510 0.080 0.000 1.058 340 N CA 1.021 54.105 53.050 0.056 0.000 0.849 340 N CB 0.428 38.945 38.487 0.050 0.000 1.038 340 N HN 0.568 nan 8.380 nan 0.000 0.434 341 S N -0.751 115.018 115.700 0.116 0.000 2.677 341 S HA 0.397 4.868 4.470 0.003 0.000 0.283 341 S C -1.754 172.980 174.600 0.222 0.000 1.159 341 S CA -0.644 57.636 58.200 0.133 0.000 1.001 341 S CB 1.720 64.957 63.200 0.062 0.000 1.032 341 S HN 0.469 nan 8.310 nan 0.000 0.487 342 W N 2.627 123.957 121.300 0.048 0.000 3.032 342 W HA 0.742 5.403 4.660 0.001 0.000 0.335 342 W C -1.320 175.233 176.519 0.056 0.000 1.154 342 W CA -0.313 57.061 57.345 0.048 0.000 1.204 342 W CB 1.354 30.848 29.460 0.056 0.000 1.416 342 W HN 0.809 nan 8.180 nan 0.000 0.521 343 A N 3.548 126.050 122.820 -0.529 0.000 2.539 343 A HA 0.622 4.943 4.320 0.003 0.000 0.296 343 A C -1.818 175.199 177.584 -0.945 0.000 1.073 343 A CA -0.751 51.034 52.037 -0.420 0.000 0.700 343 A CB 2.138 21.030 19.000 -0.180 0.000 1.296 343 A HN 0.611 nan 8.150 nan 0.000 0.405 344 Q N 1.094 120.649 119.800 -0.408 0.000 2.327 344 Q HA 0.578 4.920 4.340 0.003 0.000 0.270 344 Q C -0.148 175.738 176.000 -0.190 0.000 1.022 344 Q CA 0.182 55.766 55.803 -0.364 0.000 0.773 344 Q CB 1.502 30.224 28.738 -0.025 0.000 1.251 344 Q HN 2.217 nan 8.270 nan 0.000 0.457 345 G N 2.638 111.248 108.800 -0.316 0.000 2.346 345 G HA2 -0.102 3.860 3.960 0.003 0.000 0.294 345 G HA3 -0.102 3.860 3.960 0.003 0.000 0.294 345 G C -1.536 173.341 174.900 -0.037 0.000 1.294 345 G CA -1.119 43.976 45.100 -0.007 0.000 0.962 345 G HN 0.691 nan 8.290 nan 0.000 0.508 346 N N -0.453 118.319 118.700 0.121 0.000 2.430 346 N HA 0.438 5.180 4.740 0.003 0.000 0.265 346 N C -0.302 175.174 175.510 -0.057 0.000 1.100 346 N CA -0.341 52.725 53.050 0.028 0.000 0.961 346 N CB 1.928 40.484 38.487 0.115 0.000 1.075 346 N HN 0.382 nan 8.380 nan 0.000 0.478 347 V N 3.437 123.210 119.914 -0.236 0.000 2.435 347 V HA 0.357 4.479 4.120 0.003 0.000 0.290 347 V C -0.701 175.124 176.094 -0.448 0.000 1.030 347 V CA -0.513 61.652 62.300 -0.225 0.000 0.881 347 V CB 0.419 32.123 31.823 -0.197 0.000 0.983 347 V HN 0.549 nan 8.190 nan 0.000 0.445 348 Y N 2.864 122.973 120.300 -0.319 0.000 2.524 348 Y HA 0.656 5.208 4.550 0.003 0.000 0.344 348 Y C 0.210 175.688 175.900 -0.703 0.000 1.012 348 Y CA -0.826 57.108 58.100 -0.278 0.000 1.068 348 Y CB 2.049 40.519 38.460 0.017 0.000 1.249 348 Y HN 0.577 nan 8.280 nan 0.000 0.468 349 H N 0.673 119.749 119.070 0.011 0.000 2.667 349 H HA 0.461 5.019 4.556 0.003 0.000 0.353 349 H C 0.504 175.805 175.328 -0.045 0.000 1.072 349 H CA -0.400 55.517 56.048 -0.219 0.000 1.214 349 H CB 1.730 31.407 29.762 -0.142 0.000 1.600 349 H HN 0.884 nan 8.280 nan 0.000 0.527 350 G N 1.680 110.455 108.800 -0.041 0.000 2.582 350 G HA2 -0.397 3.564 3.960 0.003 0.000 0.288 350 G HA3 -0.397 3.564 3.960 0.003 0.000 0.288 350 G C 1.002 176.229 174.900 0.544 0.000 1.247 350 G CA 0.975 46.250 45.100 0.292 0.000 0.972 350 G HN 0.754 nan 8.290 nan 0.000 0.557 351 T N -1.228 113.533 114.554 0.345 0.000 3.069 351 T HA 0.293 4.644 4.350 0.003 0.000 0.252 351 T C 0.715 175.555 174.700 0.233 0.000 1.053 351 T CA 0.867 63.139 62.100 0.286 0.000 0.964 351 T CB -0.165 68.810 68.868 0.178 0.000 1.005 351 T HN 1.234 nan 8.240 nan 0.000 0.532 352 N N 1.150 119.993 118.700 0.239 0.000 2.472 352 N HA 0.414 5.156 4.740 0.003 0.000 0.277 352 N C 0.732 176.426 175.510 0.305 0.000 1.081 352 N CA -0.625 52.556 53.050 0.219 0.000 0.973 352 N CB 1.161 39.748 38.487 0.165 0.000 1.105 352 N HN 0.112 nan 8.380 nan 0.000 0.470 353 G N 1.737 110.717 108.800 0.300 0.000 3.496 353 G HA2 0.011 3.973 3.960 0.003 0.000 0.273 353 G HA3 0.011 3.973 3.960 0.003 0.000 0.273 353 G C -0.315 174.862 174.900 0.461 0.000 1.279 353 G CA -0.598 44.734 45.100 0.387 0.000 1.041 353 G HN 0.643 nan 8.290 nan 0.000 0.539 354 N N 2.352 121.258 118.700 0.344 0.000 2.419 354 N HA 0.271 5.013 4.740 0.003 0.000 0.264 354 N C -2.672 172.819 175.510 -0.033 0.000 1.031 354 N CA -1.032 52.132 53.050 0.189 0.000 0.951 354 N CB 2.206 40.760 38.487 0.112 0.000 1.101 354 N HN 0.112 nan 8.380 nan 0.000 0.488 355 P HA 0.147 nan 4.420 nan 0.000 0.275 355 P C -0.602 176.518 177.300 -0.301 0.000 1.228 355 P CA -0.181 62.523 63.100 -0.661 0.000 0.786 355 P CB 0.762 32.274 31.700 -0.314 0.000 0.927 356 T N 3.468 117.835 114.554 -0.312 0.000 2.821 356 T HA 0.265 4.616 4.350 0.003 0.000 0.307 356 T C -0.313 174.331 174.700 -0.094 0.000 1.034 356 T CA -0.204 61.823 62.100 -0.122 0.000 0.953 356 T CB -0.362 68.464 68.868 -0.070 0.000 0.968 356 T HN 0.200 nan 8.240 nan 0.000 0.462 357 F N 3.785 123.651 119.950 -0.139 0.000 2.538 357 F HA 0.387 4.915 4.527 0.002 0.000 0.371 357 F C 0.336 176.060 175.800 -0.126 0.000 1.087 357 F CA 0.196 58.123 58.000 -0.122 0.000 1.250 357 F CB 0.390 39.339 39.000 -0.086 0.000 1.110 357 F HN 0.364 nan 8.300 nan 0.000 0.570 358 T N 6.390 120.332 114.554 -1.021 0.000 2.886 358 T HA 0.348 4.700 4.350 0.003 0.000 0.292 358 T C -0.957 173.149 174.700 -0.990 0.000 1.012 358 T CA -0.666 60.975 62.100 -0.764 0.000 0.982 358 T CB 1.568 70.146 68.868 -0.483 0.000 1.018 358 T HN 0.561 nan 8.240 nan 0.000 0.451 359 Q N 1.464 120.830 119.800 -0.724 0.000 3.090 359 Q HA 0.576 4.918 4.340 0.003 0.000 0.241 359 Q C -0.172 175.498 176.000 -0.550 0.000 0.958 359 Q CA -0.711 54.700 55.803 -0.653 0.000 0.715 359 Q CB 1.577 30.158 28.738 -0.262 0.000 1.298 359 Q HN 0.980 nan 8.270 nan 0.000 0.468 360 G N 0.782 108.945 108.800 -1.062 0.000 2.345 360 G HA2 0.136 4.098 3.960 0.003 0.000 0.296 360 G HA3 0.136 4.098 3.960 0.003 0.000 0.296 360 G C -1.340 173.068 174.900 -0.821 0.000 1.343 360 G CA -0.959 43.758 45.100 -0.638 0.000 0.820 360 G HN 0.235 nan 8.290 nan 0.000 0.513 361 N N 0.128 118.710 118.700 -0.196 0.000 2.407 361 N HA 0.328 5.069 4.740 0.003 0.000 0.250 361 N C 0.523 175.972 175.510 -0.101 0.000 1.236 361 N CA 0.358 53.392 53.050 -0.028 0.000 0.879 361 N CB 0.560 39.101 38.487 0.090 0.000 1.088 361 N HN 0.696 nan 8.380 nan 0.000 0.450 362 I N -1.906 118.641 120.570 -0.038 0.000 3.023 362 I HA 0.707 4.878 4.170 0.003 0.000 0.312 362 I C 0.256 176.403 176.117 0.049 0.000 1.056 362 I CA -1.586 59.713 61.300 -0.002 0.000 1.033 362 I CB 1.339 39.351 38.000 0.021 0.000 1.233 362 I HN 0.326 nan 8.210 nan 0.000 0.462 363 A N 2.367 125.231 122.820 0.073 0.000 2.565 363 A HA 0.087 4.409 4.320 0.003 0.000 0.237 363 A C 0.105 177.740 177.584 0.084 0.000 1.053 363 A CA 0.026 52.108 52.037 0.075 0.000 0.755 363 A CB -0.830 18.221 19.000 0.086 0.000 0.980 363 A HN 0.878 nan 8.150 nan 0.000 0.506 364 N N 0.816 119.556 118.700 0.066 0.000 2.359 364 N HA 0.060 4.802 4.740 0.003 0.000 0.261 364 N C -0.403 175.150 175.510 0.070 0.000 1.267 364 N CA 0.117 53.201 53.050 0.058 0.000 0.864 364 N CB 0.162 38.677 38.487 0.047 0.000 1.063 364 N HN 0.592 nan 8.380 nan 0.000 0.474 365 I N 2.617 123.210 120.570 0.038 0.000 2.598 365 I HA -0.067 4.105 4.170 0.003 0.000 0.284 365 I C 0.370 176.527 176.117 0.066 0.000 1.140 365 I CA -0.136 61.186 61.300 0.038 0.000 1.420 365 I CB 0.131 38.040 38.000 -0.151 0.000 1.387 365 I HN 0.438 nan 8.210 nan 0.000 0.553 366 N N 7.224 125.996 118.700 0.121 0.000 2.452 366 N HA 0.131 4.873 4.740 0.003 0.000 0.266 366 N C -0.361 175.206 175.510 0.094 0.000 1.209 366 N CA 0.152 53.262 53.050 0.100 0.000 0.929 366 N CB 0.509 39.064 38.487 0.112 0.000 1.063 366 N HN 0.415 nan 8.380 nan 0.000 0.472 367 R N 2.753 123.292 120.500 0.065 0.000 2.363 367 R HA 0.310 4.651 4.340 0.003 0.000 0.297 367 R C -2.306 174.030 176.300 0.059 0.000 1.208 367 R CA -1.425 54.710 56.100 0.058 0.000 1.121 367 R CB 0.964 31.277 30.300 0.022 0.000 1.124 367 R HN 0.336 nan 8.270 nan 0.000 0.561 368 P HA -0.050 nan 4.420 nan 0.000 0.260 368 P C 0.973 178.307 177.300 0.057 0.000 1.172 368 P CA 0.337 63.472 63.100 0.058 0.000 0.760 368 P CB 0.949 32.677 31.700 0.047 0.000 0.773 369 G N 2.452 111.288 108.800 0.059 0.000 2.450 369 G HA2 -0.256 3.706 3.960 0.003 0.000 0.220 369 G HA3 -0.256 3.706 3.960 0.003 0.000 0.220 369 G C 1.448 176.400 174.900 0.087 0.000 1.130 369 G CA 0.501 45.641 45.100 0.067 0.000 0.760 369 G HN 0.492 nan 8.290 nan 0.000 0.557 370 V N 0.364 120.323 119.914 0.075 0.000 2.867 370 V HA 0.057 4.179 4.120 0.003 0.000 0.260 370 V C 2.458 178.628 176.094 0.127 0.000 1.099 370 V CA 1.203 63.555 62.300 0.087 0.000 1.122 370 V CB -0.115 31.730 31.823 0.038 0.000 0.708 370 V HN 0.413 nan 8.190 nan 0.000 0.490 371 L N -0.519 120.765 121.223 0.102 0.000 2.591 371 L HA 0.252 4.594 4.340 0.003 0.000 0.228 371 L C 0.392 177.538 176.870 0.460 0.000 1.133 371 L CA 0.168 55.144 54.840 0.226 0.000 0.880 371 L CB -0.015 42.062 42.059 0.030 0.000 1.033 371 L HN 0.214 nan 8.230 nan 0.000 0.450 372 L N -0.411 120.966 121.223 0.256 0.000 2.334 372 L HA 0.344 4.686 4.340 0.003 0.000 0.272 372 L C -0.222 176.731 176.870 0.139 0.000 1.020 372 L CA -1.068 53.869 54.840 0.161 0.000 0.812 372 L CB 1.310 43.421 42.059 0.086 0.000 1.264 372 L HN 0.010 nan 8.230 nan 0.000 0.439 373 D N -0.469 119.975 120.400 0.074 0.000 2.478 373 D HA 0.036 4.677 4.640 0.003 0.000 0.274 373 D C 0.973 177.297 176.300 0.039 0.000 1.234 373 D CA -0.314 53.711 54.000 0.042 0.000 1.069 373 D CB 0.472 41.269 40.800 -0.006 0.000 1.113 373 D HN 0.477 nan 8.370 nan 0.000 0.571 374 S N -2.495 113.221 115.700 0.027 0.000 2.603 374 S HA -0.072 4.399 4.470 0.003 0.000 0.229 374 S C 1.361 175.972 174.600 0.019 0.000 0.972 374 S CA 0.774 58.990 58.200 0.026 0.000 0.935 374 S CB -1.204 62.009 63.200 0.021 0.000 0.769 374 S HN 0.680 nan 8.310 nan 0.000 0.536 375 T N -3.428 111.136 114.554 0.016 0.000 3.054 375 T HA 0.510 4.862 4.350 0.003 0.000 0.255 375 T C 1.391 176.098 174.700 0.013 0.000 1.035 375 T CA 0.417 62.524 62.100 0.012 0.000 0.941 375 T CB -0.123 68.749 68.868 0.008 0.000 1.026 375 T HN 1.135 nan 8.240 nan 0.000 0.533 376 G N 1.657 110.469 108.800 0.020 0.000 2.160 376 G HA2 -0.220 3.741 3.960 0.003 0.000 0.244 376 G HA3 -0.220 3.741 3.960 0.003 0.000 0.244 376 G C -0.077 174.829 174.900 0.010 0.000 1.022 376 G CA -0.178 44.934 45.100 0.020 0.000 0.741 376 G HN 0.715 nan 8.290 nan 0.000 0.508 377 R N -0.696 119.809 120.500 0.007 0.000 2.778 377 R HA 0.601 4.942 4.340 0.003 0.000 0.277 377 R C 0.731 177.022 176.300 -0.015 0.000 0.977 377 R CA -1.265 54.828 56.100 -0.012 0.000 0.950 377 R CB 1.183 31.479 30.300 -0.007 0.000 1.165 377 R HN 0.112 nan 8.270 nan 0.000 0.474 378 I N 2.429 122.958 120.570 -0.069 0.000 2.826 378 I HA -0.081 4.091 4.170 0.003 0.000 0.295 378 I C 0.769 176.852 176.117 -0.057 0.000 1.213 378 I CA 0.415 61.657 61.300 -0.095 0.000 1.436 378 I CB 0.013 37.779 38.000 -0.390 0.000 1.348 378 I HN 0.343 nan 8.210 nan 0.000 0.570 379 V N 6.114 125.993 119.914 -0.059 0.000 2.720 379 V HA -0.075 4.046 4.120 0.003 0.000 0.307 379 V C 0.808 176.828 176.094 -0.122 0.000 1.071 379 V CA 0.467 62.627 62.300 -0.233 0.000 1.199 379 V CB 0.875 32.265 31.823 -0.720 0.000 0.900 379 V HN 0.880 nan 8.190 nan 0.000 0.494 380 S N 5.613 121.258 115.700 -0.092 0.000 2.733 380 S HA 0.516 4.988 4.470 0.003 0.000 0.307 380 S C -0.707 173.858 174.600 -0.058 0.000 1.127 380 S CA -0.833 57.389 58.200 0.038 0.000 1.097 380 S CB 0.385 63.629 63.200 0.073 0.000 1.003 380 S HN 0.802 nan 8.310 nan 0.000 0.477 381 K N 3.352 123.700 120.400 -0.086 0.000 2.545 381 K HA 0.433 4.755 4.320 0.003 0.000 0.252 381 K C -0.470 176.199 176.600 0.116 0.000 0.948 381 K CA -0.418 55.768 56.287 -0.168 0.000 0.827 381 K CB 1.602 33.798 32.500 -0.506 0.000 1.128 381 K HN 0.534 nan 8.250 nan 0.000 0.429 382 S N 2.209 117.916 115.700 0.011 0.000 2.585 382 S HA -0.003 4.468 4.470 0.003 0.000 0.273 382 S C -0.258 174.084 174.600 -0.430 0.000 1.339 382 S CA -0.225 57.980 58.200 0.009 0.000 1.028 382 S CB 0.162 63.364 63.200 0.003 0.000 0.906 382 S HN 0.746 nan 8.310 nan 0.000 0.528 383 H N 3.790 122.524 119.070 -0.559 0.000 3.237 383 H HA 0.049 4.606 4.556 0.003 0.000 0.263 383 H C -2.207 172.721 175.328 -0.667 0.000 0.854 383 H CA -0.862 54.703 56.048 -0.805 0.000 1.416 383 H CB 0.223 29.915 29.762 -0.118 0.000 1.432 383 H HN 0.271 nan 8.280 nan 0.000 0.529 384 P HA -0.007 nan 4.420 nan 0.000 0.271 384 P C -0.357 176.703 177.300 -0.400 0.000 1.226 384 P CA 0.219 62.923 63.100 -0.660 0.000 0.765 384 P CB 0.923 32.091 31.700 -0.887 0.000 0.835 385 Q N 1.297 120.945 119.800 -0.253 0.000 2.189 385 Q HA 0.102 4.443 4.340 0.003 0.000 0.223 385 Q C -0.479 175.847 176.000 0.544 0.000 0.828 385 Q CA -0.272 55.684 55.803 0.255 0.000 0.967 385 Q CB 0.110 29.003 28.738 0.259 0.000 1.139 385 Q HN 0.406 nan 8.270 nan 0.000 0.497 386 Y N 0.233 120.751 120.300 0.362 0.000 3.234 386 Y HA -0.278 4.274 4.550 0.003 0.000 0.207 386 Y C 1.558 177.892 175.900 0.724 0.000 1.316 386 Y CA 0.996 59.263 58.100 0.279 0.000 1.309 386 Y CB -2.821 35.481 38.460 -0.264 0.000 1.408 386 Y HN 0.264 nan 8.280 nan 0.000 0.544 387 T N -4.623 110.344 114.554 0.690 0.000 2.881 387 T HA -0.071 4.281 4.350 0.003 0.000 0.270 387 T C 1.936 176.996 174.700 0.601 0.000 1.068 387 T CA 1.211 63.731 62.100 0.700 0.000 1.131 387 T CB -0.288 68.774 68.868 0.324 0.000 0.871 387 T HN 0.700 nan 8.240 nan 0.000 0.479 388 G N -0.674 108.444 108.800 0.530 0.000 3.088 388 G HA2 0.287 4.248 3.960 0.003 0.000 0.212 388 G HA3 0.287 4.248 3.960 0.003 0.000 0.212 388 G C -0.256 174.790 174.900 0.243 0.000 1.173 388 G CA -0.546 44.748 45.100 0.324 0.000 0.779 388 G HN 0.563 nan 8.290 nan 0.000 0.540 389 Y N 0.345 120.818 120.300 0.288 0.000 2.334 389 Y HA 0.558 5.109 4.550 0.003 0.000 0.328 389 Y C 0.681 176.714 175.900 0.222 0.000 1.130 389 Y CA -0.858 57.336 58.100 0.157 0.000 1.163 389 Y CB 1.662 40.117 38.460 -0.008 0.000 1.207 389 Y HN 0.112 nan 8.280 nan 0.000 0.471 390 A N 4.205 127.165 122.820 0.232 0.000 2.279 390 A HA 0.410 4.732 4.320 0.003 0.000 0.303 390 A C -1.911 175.813 177.584 0.235 0.000 1.108 390 A CA -1.728 50.423 52.037 0.190 0.000 0.830 390 A CB 0.430 19.475 19.000 0.076 0.000 1.106 390 A HN 0.605 nan 8.150 nan 0.000 0.493 391 P HA -0.193 nan 4.420 nan 0.000 0.217 391 P C 1.560 178.896 177.300 0.060 0.000 1.148 391 P CA 2.187 65.296 63.100 0.014 0.000 0.828 391 P CB 0.053 31.689 31.700 -0.106 0.000 0.783 392 S N -1.699 114.018 115.700 0.028 0.000 2.474 392 S HA -0.116 4.355 4.470 0.003 0.000 0.235 392 S C 1.431 176.015 174.600 -0.027 0.000 0.997 392 S CA 1.002 59.194 58.200 -0.013 0.000 0.949 392 S CB -0.971 62.215 63.200 -0.023 0.000 0.766 392 S HN 0.107 nan 8.310 nan 0.000 0.517 393 D N 0.560 120.955 120.400 -0.007 0.000 2.363 393 D HA 0.216 4.858 4.640 0.003 0.000 0.220 393 D C -0.261 175.821 176.300 -0.363 0.000 0.994 393 D CA 0.359 54.268 54.000 -0.150 0.000 0.890 393 D CB -0.076 40.650 40.800 -0.123 0.000 0.906 393 D HN 0.438 nan 8.370 nan 0.000 0.530 394 F N -0.188 119.591 119.950 -0.286 0.000 2.470 394 F HA 0.375 4.904 4.527 0.003 0.000 0.329 394 F C 0.300 175.913 175.800 -0.312 0.000 1.072 394 F CA -1.113 56.677 58.000 -0.350 0.000 0.989 394 F CB 1.966 40.673 39.000 -0.488 0.000 1.193 394 F HN -0.401 nan 8.300 nan 0.000 0.481 395 V N 2.213 122.031 119.914 -0.160 0.000 2.487 395 V HA 0.452 4.574 4.120 0.003 0.000 0.298 395 V C -0.586 175.387 176.094 -0.201 0.000 1.028 395 V CA -0.449 61.657 62.300 -0.324 0.000 0.860 395 V CB 1.708 33.073 31.823 -0.764 0.000 0.991 395 V HN 0.771 nan 8.190 nan 0.000 0.427 396 S N 4.705 120.312 115.700 -0.156 0.000 2.523 396 S HA 0.220 4.692 4.470 0.003 0.000 0.275 396 S C 1.196 175.672 174.600 -0.206 0.000 1.281 396 S CA -0.032 58.133 58.200 -0.058 0.000 1.050 396 S CB 1.419 64.626 63.200 0.011 0.000 0.937 396 S HN 1.491 nan 8.310 nan 0.000 0.492 397 V N 4.426 124.147 119.914 -0.322 0.000 2.515 397 V HA -0.007 4.114 4.120 0.003 0.000 0.250 397 V C 2.398 178.387 176.094 -0.175 0.000 1.058 397 V CA 1.826 63.873 62.300 -0.422 0.000 1.064 397 V CB -1.039 30.259 31.823 -0.875 0.000 0.675 397 V HN 0.854 nan 8.190 nan 0.000 0.461 398 R N 1.497 121.960 120.500 -0.061 0.000 2.073 398 R HA -0.082 4.260 4.340 0.003 0.000 0.234 398 R C 2.435 178.725 176.300 -0.017 0.000 1.134 398 R CA 2.152 58.261 56.100 0.016 0.000 0.952 398 R CB -1.081 29.250 30.300 0.051 0.000 0.850 398 R HN 0.589 nan 8.270 nan 0.000 0.433 399 S N 0.410 116.083 115.700 -0.044 0.000 2.419 399 S HA -0.088 4.383 4.470 0.003 0.000 0.235 399 S C 1.099 175.665 174.600 -0.056 0.000 1.019 399 S CA 0.997 59.165 58.200 -0.053 0.000 0.982 399 S CB -0.090 63.064 63.200 -0.077 0.000 0.789 399 S HN 0.364 nan 8.310 nan 0.000 0.490 400 Q N -0.230 119.521 119.800 -0.082 0.000 2.222 400 Q HA 0.285 4.627 4.340 0.003 0.000 0.206 400 Q C 1.236 177.215 176.000 -0.034 0.000 0.877 400 Q CA 0.445 56.212 55.803 -0.061 0.000 0.958 400 Q CB 0.404 29.081 28.738 -0.102 0.000 1.075 400 Q HN 0.605 nan 8.270 nan 0.000 0.483 401 G N 0.563 109.353 108.800 -0.017 0.000 2.175 401 G HA2 -0.268 3.693 3.960 0.003 0.000 0.244 401 G HA3 -0.268 3.693 3.960 0.003 0.000 0.244 401 G C 0.298 175.219 174.900 0.035 0.000 0.982 401 G CA 0.013 45.120 45.100 0.011 0.000 0.641 401 G HN 0.517 nan 8.290 nan 0.000 0.527 402 A N 0.497 123.342 122.820 0.041 0.000 2.350 402 A HA 0.659 4.980 4.320 0.003 0.000 0.293 402 A C 1.479 179.179 177.584 0.192 0.000 1.231 402 A CA 0.464 52.588 52.037 0.146 0.000 0.883 402 A CB 0.422 19.501 19.000 0.132 0.000 1.133 402 A HN 0.151 nan 8.150 nan 0.000 0.533 403 K N 2.553 123.021 120.400 0.115 0.000 2.097 403 K HA -0.024 4.297 4.320 0.003 0.000 0.205 403 K C 1.443 177.972 176.600 -0.118 0.000 1.050 403 K CA 1.040 57.340 56.287 0.022 0.000 0.938 403 K CB -0.487 32.024 32.500 0.019 0.000 0.718 403 K HN 1.624 nan 8.250 nan 0.000 0.442 404 G N 3.237 111.816 108.800 -0.367 0.000 2.225 404 G HA2 -0.275 3.686 3.960 0.003 0.000 0.267 404 G HA3 -0.275 3.686 3.960 0.003 0.000 0.267 404 G C 0.190 174.780 174.900 -0.518 0.000 1.024 404 G CA 0.906 45.412 45.100 -0.990 0.000 0.784 404 G HN 0.510 nan 8.290 nan 0.000 0.507 405 D N -1.355 118.877 120.400 -0.279 0.000 2.349 405 D HA 0.380 5.021 4.640 0.003 0.000 0.214 405 D C 1.820 177.979 176.300 -0.234 0.000 1.063 405 D CA 0.521 54.423 54.000 -0.163 0.000 0.847 405 D CB -0.412 40.400 40.800 0.020 0.000 0.933 405 D HN 1.432 nan 8.370 nan 0.000 0.513 406 G N -0.130 108.471 108.800 -0.331 0.000 2.162 406 G HA2 -0.364 3.598 3.960 0.003 0.000 0.260 406 G HA3 -0.364 3.598 3.960 0.003 0.000 0.260 406 G C 0.602 175.263 174.900 -0.398 0.000 0.976 406 G CA 0.931 45.826 45.100 -0.342 0.000 0.655 406 G HN 0.579 nan 8.290 nan 0.000 0.533 407 H N -1.288 117.847 119.070 0.108 0.000 2.089 407 H HA 0.231 4.788 4.556 0.003 0.000 0.206 407 H C 1.256 176.634 175.328 0.083 0.000 0.872 407 H CA 0.381 56.497 56.048 0.113 0.000 0.979 407 H CB 0.092 29.914 29.762 0.101 0.000 1.266 407 H HN 0.255 nan 8.280 nan 0.000 0.389 408 T N 2.504 117.162 114.554 0.173 0.000 2.928 408 T HA -0.044 4.307 4.350 0.003 0.000 0.305 408 T C 0.027 174.794 174.700 0.112 0.000 1.035 408 T CA 0.039 62.211 62.100 0.120 0.000 1.145 408 T CB 0.475 69.398 68.868 0.092 0.000 0.963 408 T HN 0.226 nan 8.240 nan 0.000 0.545 409 D N 2.223 122.687 120.400 0.108 0.000 2.346 409 D HA 0.006 4.648 4.640 0.003 0.000 0.260 409 D C 0.150 176.521 176.300 0.119 0.000 1.252 409 D CA -0.172 53.896 54.000 0.113 0.000 0.895 409 D CB 0.562 41.421 40.800 0.098 0.000 1.097 409 D HN 0.382 nan 8.370 nan 0.000 0.489 410 D N 2.552 123.043 120.400 0.151 0.000 2.340 410 D HA -0.014 4.628 4.640 0.003 0.000 0.217 410 D C 1.504 177.899 176.300 0.158 0.000 1.081 410 D CA 0.183 54.286 54.000 0.172 0.000 0.842 410 D CB 0.598 41.565 40.800 0.278 0.000 0.934 410 D HN 0.418 nan 8.370 nan 0.000 0.511 411 T N 0.722 115.364 114.554 0.148 0.000 2.607 411 T HA -0.267 4.084 4.350 0.003 0.000 0.267 411 T C 1.893 176.663 174.700 0.117 0.000 1.049 411 T CA 1.424 63.610 62.100 0.143 0.000 1.162 411 T CB -0.133 68.814 68.868 0.131 0.000 0.863 411 T HN 0.078 nan 8.240 nan 0.000 0.424 412 Q N 1.091 120.946 119.800 0.091 0.000 2.084 412 Q HA 0.053 4.394 4.340 0.003 0.000 0.202 412 Q C 2.358 178.393 176.000 0.059 0.000 0.978 412 Q CA 1.744 57.589 55.803 0.070 0.000 0.844 412 Q CB -0.828 27.943 28.738 0.054 0.000 0.898 412 Q HN 0.546 nan 8.270 nan 0.000 0.426 413 A N 0.002 122.854 122.820 0.055 0.000 1.908 413 A HA -0.176 4.145 4.320 0.003 0.000 0.218 413 A C 2.115 179.689 177.584 -0.017 0.000 1.181 413 A CA 1.640 53.692 52.037 0.024 0.000 0.627 413 A CB -0.738 18.283 19.000 0.035 0.000 0.818 413 A HN 0.468 nan 8.150 nan 0.000 0.445 414 I N -0.793 119.782 120.570 0.010 0.000 2.286 414 I HA -0.230 3.942 4.170 0.003 0.000 0.245 414 I C 2.463 178.598 176.117 0.030 0.000 1.104 414 I CA 1.375 62.649 61.300 -0.043 0.000 1.397 414 I CB -0.257 37.809 38.000 0.110 0.000 1.072 414 I HN 0.261 nan 8.210 nan 0.000 0.417 415 K N 0.669 121.155 120.400 0.143 0.000 2.074 415 K HA -0.201 4.121 4.320 0.003 0.000 0.209 415 K C 1.871 178.548 176.600 0.128 0.000 1.048 415 K CA 1.658 58.060 56.287 0.192 0.000 0.926 415 K CB -0.264 32.315 32.500 0.132 0.000 0.713 415 K HN 0.278 nan 8.250 nan 0.000 0.444 416 N N 0.464 119.197 118.700 0.055 0.000 2.188 416 N HA -0.107 4.635 4.740 0.003 0.000 0.184 416 N C 1.806 177.326 175.510 0.017 0.000 1.018 416 N CA 0.704 53.771 53.050 0.029 0.000 0.858 416 N CB -0.359 38.139 38.487 0.018 0.000 0.989 416 N HN -0.061 nan 8.380 nan 0.000 0.426 417 V N 0.842 120.729 119.914 -0.045 0.000 2.255 417 V HA -0.225 3.897 4.120 0.003 0.000 0.247 417 V C 1.855 177.930 176.094 -0.032 0.000 1.051 417 V CA 1.470 63.727 62.300 -0.072 0.000 1.018 417 V CB -0.648 30.943 31.823 -0.387 0.000 0.641 417 V HN 0.097 nan 8.190 nan 0.000 0.445 418 F N 0.796 120.788 119.950 0.071 0.000 2.134 418 F HA -0.122 4.406 4.527 0.003 0.000 0.299 418 F C 2.454 178.261 175.800 0.011 0.000 1.097 418 F CA 1.225 59.255 58.000 0.051 0.000 1.264 418 F CB -1.357 37.666 39.000 0.038 0.000 1.001 418 F HN 0.097 nan 8.300 nan 0.000 0.479 419 A N -0.085 122.833 122.820 0.164 0.000 1.908 419 A HA -0.225 4.096 4.320 0.003 0.000 0.218 419 A C 2.214 179.770 177.584 -0.046 0.000 1.181 419 A CA 1.952 54.020 52.037 0.051 0.000 0.627 419 A CB -0.605 18.410 19.000 0.026 0.000 0.818 419 A HN 0.387 nan 8.150 nan 0.000 0.445 420 K N -2.692 117.627 120.400 -0.135 0.000 2.211 420 K HA 0.057 4.378 4.320 0.003 0.000 0.201 420 K C 0.945 177.198 176.600 -0.578 0.000 1.052 420 K CA 1.143 57.169 56.287 -0.435 0.000 0.973 420 K CB 0.031 32.104 32.500 -0.712 0.000 0.766 420 K HN 0.634 nan 8.250 nan 0.000 0.466 421 Y N -0.348 119.942 120.300 -0.017 0.000 2.432 421 Y HA 0.351 4.902 4.550 0.003 0.000 0.252 421 Y C 0.364 176.267 175.900 0.004 0.000 1.097 421 Y CA -0.882 57.198 58.100 -0.033 0.000 1.250 421 Y CB 0.420 38.829 38.460 -0.085 0.000 1.245 421 Y HN -0.165 nan 8.280 nan 0.000 0.522 422 A N 0.940 123.877 122.820 0.195 0.000 2.561 422 A HA 0.369 4.690 4.320 0.003 0.000 0.251 422 A C 1.702 179.336 177.584 0.083 0.000 1.062 422 A CA 1.257 53.405 52.037 0.185 0.000 0.761 422 A CB -0.978 18.141 19.000 0.197 0.000 0.986 422 A HN 1.045 nan 8.150 nan 0.000 0.510 423 G N 0.845 109.678 108.800 0.056 0.000 2.205 423 G HA2 -0.349 3.613 3.960 0.003 0.000 0.261 423 G HA3 -0.349 3.613 3.960 0.003 0.000 0.261 423 G C 0.966 175.870 174.900 0.007 0.000 0.980 423 G CA 0.711 45.823 45.100 0.020 0.000 0.632 423 G HN 1.069 nan 8.290 nan 0.000 0.533 424 c N 0.012 118.627 118.600 0.025 0.000 2.525 424 c HA 0.494 5.065 4.570 0.003 0.000 0.291 424 c C 0.894 174.982 174.090 -0.002 0.000 1.351 424 c CA 0.612 56.954 56.329 0.022 0.000 1.771 424 c CB 0.087 42.632 42.510 0.059 0.000 2.177 424 c HN 0.407 nan 8.230 nan 0.000 0.510 425 K N 0.415 120.808 120.400 -0.013 0.000 2.508 425 K HA 0.501 4.823 4.320 0.003 0.000 0.260 425 K C -1.108 175.347 176.600 -0.242 0.000 0.949 425 K CA -0.375 55.828 56.287 -0.141 0.000 0.834 425 K CB 1.710 34.130 32.500 -0.133 0.000 1.365 425 K HN 0.144 nan 8.250 nan 0.000 0.437 426 I N 2.808 123.075 120.570 -0.505 0.000 2.556 426 I HA 0.033 4.204 4.170 0.003 0.000 0.284 426 I C 0.431 176.363 176.117 -0.308 0.000 1.114 426 I CA -0.310 60.620 61.300 -0.616 0.000 1.418 426 I CB 0.284 37.465 38.000 -1.364 0.000 1.394 426 I HN 0.198 nan 8.210 nan 0.000 0.552 427 I N 7.231 127.735 120.570 -0.111 0.000 2.322 427 I HA 0.095 4.266 4.170 0.003 0.000 0.292 427 I C -0.230 175.964 176.117 0.128 0.000 1.060 427 I CA -0.064 61.217 61.300 -0.032 0.000 1.309 427 I CB -0.060 37.959 38.000 0.032 0.000 1.415 427 I HN 0.364 nan 8.210 nan 0.000 0.492 428 F N 7.681 127.575 119.950 -0.092 0.000 2.334 428 F HA 0.412 4.940 4.527 0.003 0.000 0.367 428 F C -0.436 175.311 175.800 -0.089 0.000 1.115 428 F CA -0.934 57.074 58.000 0.015 0.000 1.116 428 F CB 0.475 39.481 39.000 0.011 0.000 1.230 428 F HN 0.205 nan 8.300 nan 0.000 0.484 429 F N 4.868 124.536 119.950 -0.469 0.000 2.462 429 F HA 0.174 4.703 4.527 0.003 0.000 0.354 429 F C 0.572 176.023 175.800 -0.582 0.000 1.192 429 F CA -0.600 57.126 58.000 -0.457 0.000 1.173 429 F CB -0.269 38.520 39.000 -0.351 0.000 1.402 429 F HN 0.466 nan 8.300 nan 0.000 0.595 430 D N 2.235 122.419 120.400 -0.360 0.000 2.478 430 D HA 0.193 4.834 4.640 0.003 0.000 0.234 430 D C 0.227 176.595 176.300 0.113 0.000 1.154 430 D CA 0.117 54.028 54.000 -0.148 0.000 0.874 430 D CB 0.640 41.491 40.800 0.084 0.000 1.198 430 D HN 0.578 nan 8.370 nan 0.000 0.455 431 A N 1.709 124.601 122.820 0.120 0.000 2.587 431 A HA 0.481 4.802 4.320 0.003 0.000 0.235 431 A C 0.889 178.550 177.584 0.127 0.000 1.044 431 A CA 0.753 52.894 52.037 0.174 0.000 0.754 431 A CB -0.254 18.875 19.000 0.215 0.000 0.968 431 A HN 0.759 nan 8.150 nan 0.000 0.509 432 G N 0.065 108.909 108.800 0.074 0.000 2.337 432 G HA2 0.475 4.437 3.960 0.003 0.000 0.298 432 G HA3 0.475 4.437 3.960 0.003 0.000 0.298 432 G C -0.867 173.874 174.900 -0.264 0.000 1.335 432 G CA -0.150 44.832 45.100 -0.196 0.000 0.875 432 G HN 0.984 nan 8.290 nan 0.000 0.579 433 T N 0.867 115.151 114.554 -0.450 0.000 2.786 433 T HA 0.570 4.922 4.350 0.003 0.000 0.283 433 T C -1.346 173.140 174.700 -0.357 0.000 0.992 433 T CA -0.023 61.908 62.100 -0.282 0.000 0.954 433 T CB 0.801 69.520 68.868 -0.249 0.000 0.934 433 T HN 0.373 nan 8.240 nan 0.000 0.440 434 Y N 3.489 123.807 120.300 0.029 0.000 2.491 434 Y HA 0.392 4.943 4.550 0.003 0.000 0.334 434 Y C 0.405 176.360 175.900 0.092 0.000 0.969 434 Y CA -1.325 56.822 58.100 0.078 0.000 1.241 434 Y CB 0.445 38.995 38.460 0.151 0.000 1.105 434 Y HN 0.424 nan 8.280 nan 0.000 0.503 435 I N 5.667 126.343 120.570 0.177 0.000 2.533 435 I HA 0.148 4.320 4.170 0.003 0.000 0.284 435 I C 0.202 176.434 176.117 0.191 0.000 1.109 435 I CA -0.320 61.079 61.300 0.164 0.000 1.412 435 I CB 0.102 38.178 38.000 0.127 0.000 1.396 435 I HN 0.325 nan 8.210 nan 0.000 0.543 436 V N 3.205 123.237 119.914 0.195 0.000 2.823 436 V HA 0.750 4.872 4.120 0.003 0.000 0.312 436 V C 0.369 176.625 176.094 0.270 0.000 1.072 436 V CA -0.503 61.925 62.300 0.214 0.000 0.937 436 V CB 1.705 33.656 31.823 0.213 0.000 1.013 436 V HN 0.801 nan 8.190 nan 0.000 0.430 437 T N -1.678 113.025 114.554 0.248 0.000 3.111 437 T HA 0.386 4.738 4.350 0.003 0.000 0.284 437 T C -0.115 174.658 174.700 0.122 0.000 0.983 437 T CA 0.261 62.497 62.100 0.227 0.000 0.900 437 T CB -0.152 68.783 68.868 0.112 0.000 1.132 437 T HN 0.832 nan 8.240 nan 0.000 0.531 438 D N 0.559 121.086 120.400 0.212 0.000 2.583 438 D HA 0.369 5.011 4.640 0.003 0.000 0.248 438 D C -0.859 175.622 176.300 0.302 0.000 1.209 438 D CA -0.291 53.786 54.000 0.128 0.000 0.848 438 D CB 2.082 42.916 40.800 0.057 0.000 1.431 438 D HN -0.069 nan 8.370 nan 0.000 0.436 439 T N 1.515 116.218 114.554 0.247 0.000 2.908 439 T HA 0.187 4.539 4.350 0.003 0.000 0.301 439 T C 0.277 175.050 174.700 0.121 0.000 1.019 439 T CA -0.012 62.215 62.100 0.212 0.000 1.152 439 T CB 0.062 69.009 68.868 0.132 0.000 0.966 439 T HN 0.151 nan 8.240 nan 0.000 0.540 440 I N 4.084 124.700 120.570 0.076 0.000 2.306 440 I HA 0.188 4.360 4.170 0.003 0.000 0.288 440 I C 0.451 176.519 176.117 -0.081 0.000 1.036 440 I CA -0.362 60.972 61.300 0.056 0.000 1.221 440 I CB 0.939 39.004 38.000 0.109 0.000 1.385 440 I HN 0.654 nan 8.210 nan 0.000 0.472 441 Q N 6.495 126.233 119.800 -0.103 0.000 2.349 441 Q HA 0.463 4.804 4.340 0.003 0.000 0.254 441 Q C -0.384 175.342 176.000 -0.456 0.000 0.980 441 Q CA -0.175 55.499 55.803 -0.214 0.000 0.924 441 Q CB 1.610 30.271 28.738 -0.129 0.000 1.209 441 Q HN 0.511 nan 8.270 nan 0.000 0.445 442 I N 5.487 125.706 120.570 -0.586 0.000 2.322 442 I HA 0.198 4.369 4.170 0.003 0.000 0.292 442 I C -2.095 173.725 176.117 -0.495 0.000 1.060 442 I CA -2.187 58.614 61.300 -0.831 0.000 1.309 442 I CB 0.525 38.128 38.000 -0.663 0.000 1.415 442 I HN 0.286 nan 8.210 nan 0.000 0.492 443 P HA 0.071 nan 4.420 nan 0.000 0.271 443 P C -0.344 176.853 177.300 -0.172 0.000 1.218 443 P CA -0.345 62.629 63.100 -0.211 0.000 0.780 443 P CB 0.622 32.252 31.700 -0.116 0.000 0.901 444 A N 2.432 125.174 122.820 -0.129 0.000 2.567 444 A HA 0.396 4.717 4.320 0.003 0.000 0.240 444 A C 1.492 179.050 177.584 -0.044 0.000 1.053 444 A CA 1.009 52.995 52.037 -0.084 0.000 0.755 444 A CB -1.462 17.507 19.000 -0.051 0.000 0.978 444 A HN 0.872 nan 8.150 nan 0.000 0.507 445 G N 1.758 110.546 108.800 -0.020 0.000 2.201 445 G HA2 -0.159 3.802 3.960 0.003 0.000 0.212 445 G HA3 -0.159 3.802 3.960 0.003 0.000 0.212 445 G C 0.352 175.260 174.900 0.012 0.000 0.994 445 G CA 0.243 45.347 45.100 0.007 0.000 0.644 445 G HN 1.211 nan 8.290 nan 0.000 0.508 446 T N 1.474 116.027 114.554 -0.001 0.000 2.889 446 T HA 0.599 4.951 4.350 0.003 0.000 0.291 446 T C -0.010 174.714 174.700 0.041 0.000 0.995 446 T CA 0.068 62.187 62.100 0.032 0.000 1.092 446 T CB 1.761 70.652 68.868 0.038 0.000 0.954 446 T HN 0.362 nan 8.240 nan 0.000 0.506 447 Q N 1.933 121.743 119.800 0.017 0.000 2.331 447 Q HA 0.616 4.957 4.340 0.003 0.000 0.267 447 Q C -0.862 175.153 176.000 0.025 0.000 1.006 447 Q CA -0.415 55.387 55.803 -0.002 0.000 0.818 447 Q CB 1.925 30.561 28.738 -0.170 0.000 1.276 447 Q HN 0.587 nan 8.270 nan 0.000 0.450 448 I N 2.149 122.802 120.570 0.138 0.000 2.465 448 I HA 0.521 4.693 4.170 0.003 0.000 0.291 448 I C -0.921 175.337 176.117 0.235 0.000 1.014 448 I CA -1.100 60.336 61.300 0.225 0.000 1.093 448 I CB 2.060 40.228 38.000 0.280 0.000 1.267 448 I HN 0.257 nan 8.210 nan 0.000 0.431 449 V N 4.717 124.803 119.914 0.287 0.000 2.525 449 V HA 0.621 4.742 4.120 0.003 0.000 0.299 449 V C 0.447 176.685 176.094 0.241 0.000 1.034 449 V CA -0.451 62.062 62.300 0.354 0.000 0.863 449 V CB 1.621 33.763 31.823 0.531 0.000 0.999 449 V HN 0.911 nan 8.190 nan 0.000 0.423 450 G N 2.468 111.371 108.800 0.172 0.000 2.568 450 G HA2 0.640 4.601 3.960 0.003 0.000 0.293 450 G HA3 0.640 4.601 3.960 0.003 0.000 0.293 450 G C -0.656 174.309 174.900 0.107 0.000 1.347 450 G CA -0.287 44.834 45.100 0.036 0.000 1.039 450 G HN 0.667 nan 8.290 nan 0.000 0.523 451 E N -0.685 119.567 120.200 0.087 0.000 2.761 451 E HA 0.359 4.711 4.350 0.003 0.000 0.266 451 E C 0.542 177.295 176.600 0.255 0.000 1.097 451 E CA -0.318 56.212 56.400 0.217 0.000 0.773 451 E CB 1.110 30.912 29.700 0.169 0.000 1.453 451 E HN 0.621 nan 8.360 nan 0.000 0.388 452 V N 4.761 124.850 119.914 0.291 0.000 0.506 452 V HA -0.285 3.836 4.120 0.003 0.000 0.092 452 V C -0.304 176.020 176.094 0.383 0.000 2.295 452 V CA 2.855 65.347 62.300 0.320 0.000 3.596 452 V CB -0.575 31.433 31.823 0.307 0.000 0.884 452 V HN 0.833 nan 8.190 nan 0.000 0.925 453 W N 1.788 123.133 121.300 0.075 0.000 2.451 453 W HA 0.670 5.332 4.660 0.002 0.000 0.285 453 W C -0.629 175.912 176.519 0.036 0.000 1.024 453 W CA 0.077 57.430 57.345 0.013 0.000 1.421 453 W CB 1.299 30.747 29.460 -0.020 0.000 1.319 453 W HN 0.361 nan 8.180 nan 0.000 0.366 454 S N 3.021 118.634 115.700 -0.146 0.000 2.594 454 S HA 0.470 4.942 4.470 0.003 0.000 0.322 454 S C -0.466 173.972 174.600 -0.270 0.000 1.085 454 S CA -0.402 57.759 58.200 -0.065 0.000 1.116 454 S CB 1.813 65.018 63.200 0.009 0.000 0.979 454 S HN 0.159 nan 8.310 nan 0.000 0.465 455 V N 4.960 124.774 119.914 -0.166 0.000 2.448 455 V HA 0.475 4.597 4.120 0.003 0.000 0.295 455 V C -0.244 175.891 176.094 0.068 0.000 1.025 455 V CA -0.652 61.509 62.300 -0.231 0.000 0.859 455 V CB 1.470 33.117 31.823 -0.293 0.000 0.988 455 V HN 0.780 nan 8.190 nan 0.000 0.431 456 I N 5.616 126.213 120.570 0.045 0.000 2.312 456 I HA 0.451 4.623 4.170 0.003 0.000 0.290 456 I C -0.095 176.111 176.117 0.148 0.000 1.008 456 I CA -0.071 61.337 61.300 0.181 0.000 1.226 456 I CB 1.244 39.374 38.000 0.216 0.000 1.371 456 I HN 0.583 nan 8.210 nan 0.000 0.468 457 M N 6.619 126.305 119.600 0.142 0.000 2.043 457 M HA 0.502 4.984 4.480 0.003 0.000 0.322 457 M C -0.180 176.172 176.300 0.086 0.000 0.962 457 M CA -0.387 54.974 55.300 0.102 0.000 0.927 457 M CB 1.100 33.775 32.600 0.125 0.000 1.466 457 M HN 0.624 nan 8.290 nan 0.000 0.412 458 G N 2.324 111.122 108.800 -0.005 0.000 2.415 458 G HA2 0.554 4.515 3.960 0.003 0.000 0.269 458 G HA3 0.554 4.515 3.960 0.003 0.000 0.269 458 G C -0.805 174.134 174.900 0.066 0.000 1.209 458 G CA -0.106 44.958 45.100 -0.061 0.000 0.835 458 G HN 0.659 nan 8.290 nan 0.000 0.534 459 T N -0.687 114.048 114.554 0.301 0.000 2.769 459 T HA 0.715 5.067 4.350 0.003 0.000 0.306 459 T C 0.165 175.069 174.700 0.339 0.000 1.400 459 T CA 1.310 63.586 62.100 0.294 0.000 1.007 459 T CB 0.995 69.964 68.868 0.168 0.000 1.392 459 T HN 2.422 nan 8.240 nan 0.000 0.500 460 G N 1.148 110.073 108.800 0.208 0.000 2.728 460 G HA2 -0.124 3.838 3.960 0.003 0.000 0.294 460 G HA3 -0.124 3.838 3.960 0.003 0.000 0.294 460 G C 0.992 175.912 174.900 0.033 0.000 1.342 460 G CA 0.578 45.739 45.100 0.103 0.000 0.866 460 G HN 1.910 nan 8.290 nan 0.000 0.534 461 S N -0.349 115.327 115.700 -0.040 0.000 2.440 461 S HA -0.136 4.336 4.470 0.003 0.000 0.238 461 S C 2.043 176.534 174.600 -0.182 0.000 1.010 461 S CA 2.075 60.224 58.200 -0.085 0.000 0.972 461 S CB -0.147 63.007 63.200 -0.076 0.000 0.774 461 S HN 1.087 nan 8.310 nan 0.000 0.501 462 K N 0.918 121.101 120.400 -0.362 0.000 2.209 462 K HA 0.048 4.369 4.320 0.003 0.000 0.204 462 K C 0.419 176.646 176.600 -0.622 0.000 1.048 462 K CA 1.239 57.137 56.287 -0.648 0.000 0.940 462 K CB -0.388 31.445 32.500 -1.112 0.000 0.729 462 K HN 0.537 nan 8.250 nan 0.000 0.451 463 F N -0.818 119.132 119.950 -0.001 0.000 2.698 463 F HA 0.228 4.757 4.527 0.003 0.000 0.304 463 F C 1.138 176.941 175.800 0.005 0.000 1.108 463 F CA 0.091 58.096 58.000 0.008 0.000 1.263 463 F CB 0.207 39.229 39.000 0.036 0.000 1.013 463 F HN 0.001 nan 8.300 nan 0.000 0.532 464 T N -4.508 110.090 114.554 0.074 0.000 3.069 464 T HA 0.088 4.440 4.350 0.003 0.000 0.252 464 T C 0.241 174.873 174.700 -0.112 0.000 1.053 464 T CA 0.001 62.107 62.100 0.009 0.000 0.964 464 T CB 0.050 68.909 68.868 -0.016 0.000 1.005 464 T HN -0.039 nan 8.240 nan 0.000 0.532 465 D N 1.542 121.873 120.400 -0.114 0.000 2.412 465 D HA 0.196 4.837 4.640 0.003 0.000 0.224 465 D C 0.782 176.981 176.300 -0.170 0.000 1.093 465 D CA -1.181 52.692 54.000 -0.212 0.000 0.850 465 D CB 0.642 41.342 40.800 -0.167 0.000 1.046 465 D HN 0.341 nan 8.370 nan 0.000 0.507 466 Y N 2.778 122.991 120.300 -0.144 0.000 2.497 466 Y HA 0.059 4.610 4.550 0.003 0.000 0.292 466 Y C 1.025 176.777 175.900 -0.246 0.000 1.137 466 Y CA 0.642 58.666 58.100 -0.128 0.000 1.285 466 Y CB -1.241 37.351 38.460 0.221 0.000 0.991 466 Y HN 0.267 nan 8.280 nan 0.000 0.556 467 N N 0.173 118.944 118.700 0.119 0.000 2.494 467 N HA -0.110 4.632 4.740 0.003 0.000 0.182 467 N C 0.090 175.570 175.510 -0.050 0.000 1.076 467 N CA 0.822 53.915 53.050 0.072 0.000 0.908 467 N CB -0.051 38.468 38.487 0.053 0.000 0.967 467 N HN 0.241 nan 8.380 nan 0.000 0.449 468 N N 0.124 118.753 118.700 -0.119 0.000 2.711 468 N HA 0.180 4.921 4.740 0.003 0.000 0.263 468 N C -2.964 172.458 175.510 -0.148 0.000 1.667 468 N CA -1.987 51.000 53.050 -0.106 0.000 0.785 468 N CB 0.709 39.150 38.487 -0.076 0.000 1.231 468 N HN -0.096 nan 8.380 nan 0.000 0.503 469 P HA 0.173 nan 4.420 nan 0.000 0.271 469 P C -0.864 176.403 177.300 -0.055 0.000 1.218 469 P CA 0.061 62.992 63.100 -0.282 0.000 0.780 469 P CB 0.986 32.239 31.700 -0.745 0.000 0.901 470 Q N 1.683 121.534 119.800 0.085 0.000 2.345 470 Q HA 0.417 4.759 4.340 0.003 0.000 0.275 470 Q C -2.635 173.543 176.000 0.296 0.000 1.063 470 Q CA -2.060 53.855 55.803 0.186 0.000 0.819 470 Q CB 2.539 31.370 28.738 0.156 0.000 1.356 470 Q HN 0.351 nan 8.270 nan 0.000 0.418 471 P HA 0.117 nan 4.420 nan 0.000 0.281 471 P C 0.497 177.885 177.300 0.147 0.000 1.252 471 P CA -0.142 63.045 63.100 0.145 0.000 0.778 471 P CB 1.175 32.933 31.700 0.096 0.000 0.895 472 V N 3.849 123.667 119.914 -0.161 0.000 2.283 472 V HA -0.063 4.058 4.120 0.003 0.000 0.243 472 V C 1.310 177.317 176.094 -0.145 0.000 1.039 472 V CA 1.515 63.617 62.300 -0.329 0.000 1.016 472 V CB -0.425 31.087 31.823 -0.519 0.000 0.650 472 V HN 0.452 nan 8.190 nan 0.000 0.449 473 I N 0.826 121.265 120.570 -0.219 0.000 2.404 473 I HA 0.448 4.620 4.170 0.003 0.000 0.293 473 I C -0.283 175.693 176.117 -0.234 0.000 0.992 473 I CA -0.244 60.872 61.300 -0.306 0.000 1.149 473 I CB 1.277 38.883 38.000 -0.657 0.000 1.315 473 I HN 0.296 nan 8.210 nan 0.000 0.446 474 Q N 5.302 124.965 119.800 -0.229 0.000 2.357 474 Q HA 0.452 4.793 4.340 0.003 0.000 0.266 474 Q C -1.561 174.245 176.000 -0.323 0.000 1.021 474 Q CA -0.504 55.175 55.803 -0.206 0.000 0.784 474 Q CB 1.965 30.625 28.738 -0.130 0.000 1.243 474 Q HN 0.515 nan 8.270 nan 0.000 0.465 475 V N 4.209 123.879 119.914 -0.407 0.000 2.322 475 V HA 0.537 4.659 4.120 0.003 0.000 0.258 475 V C 0.581 176.354 176.094 -0.536 0.000 1.074 475 V CA 0.420 62.343 62.300 -0.629 0.000 0.909 475 V CB -0.143 30.996 31.823 -1.140 0.000 1.090 475 V HN 0.972 nan 8.190 nan 0.000 0.486 476 G N 4.160 112.728 108.800 -0.387 0.000 2.716 476 G HA2 0.223 4.185 3.960 0.003 0.000 0.686 476 G HA3 0.223 4.185 3.960 0.003 0.000 0.686 476 G C -0.047 174.744 174.900 -0.181 0.000 1.337 476 G CA -0.462 44.485 45.100 -0.255 0.000 0.829 476 G HN 1.426 nan 8.290 nan 0.000 0.599 477 A N 3.024 125.769 122.820 -0.125 0.000 2.386 477 A HA 0.742 5.063 4.320 0.003 0.000 0.248 477 A C -1.413 176.133 177.584 -0.063 0.000 1.082 477 A CA -0.476 51.511 52.037 -0.084 0.000 0.789 477 A CB -0.015 18.948 19.000 -0.062 0.000 1.025 477 A HN 0.726 nan 8.150 nan 0.000 0.490 478 P HA 0.218 nan 4.420 nan 0.000 0.264 478 P C 0.992 178.280 177.300 -0.021 0.000 1.183 478 P CA 1.921 65.004 63.100 -0.028 0.000 0.763 478 P CB 0.513 32.202 31.700 -0.019 0.000 0.807 479 G N 1.663 110.457 108.800 -0.010 0.000 2.184 479 G HA2 -0.248 3.713 3.960 0.003 0.000 0.264 479 G HA3 -0.248 3.713 3.960 0.003 0.000 0.264 479 G C 0.356 175.253 174.900 -0.006 0.000 0.975 479 G CA 0.357 45.452 45.100 -0.009 0.000 0.642 479 G HN 0.813 nan 8.290 nan 0.000 0.536 480 S N -0.599 115.097 115.700 -0.006 0.000 2.601 480 S HA 0.782 5.253 4.470 0.003 0.000 0.271 480 S C 0.085 174.704 174.600 0.031 0.000 1.305 480 S CA 0.491 58.688 58.200 -0.006 0.000 1.022 480 S CB 2.156 65.335 63.200 -0.035 0.000 0.940 480 S HN 0.826 nan 8.310 nan 0.000 0.525 481 S N 0.205 115.927 115.700 0.036 0.000 2.548 481 S HA 0.959 5.430 4.470 0.003 0.000 0.286 481 S C 0.004 174.641 174.600 0.062 0.000 1.098 481 S CA -0.121 58.128 58.200 0.081 0.000 0.930 481 S CB 1.618 64.865 63.200 0.078 0.000 1.070 481 S HN 1.516 nan 8.310 nan 0.000 0.480 482 G N 0.240 109.092 108.800 0.086 0.000 2.356 482 G HA2 0.290 4.252 3.960 0.003 0.000 0.300 482 G HA3 0.290 4.252 3.960 0.003 0.000 0.300 482 G C -1.674 173.276 174.900 0.083 0.000 1.331 482 G CA -0.776 44.365 45.100 0.069 0.000 0.905 482 G HN 0.690 nan 8.290 nan 0.000 0.587 483 V N -0.014 119.947 119.914 0.078 0.000 2.521 483 V HA 0.451 4.572 4.120 0.003 0.000 0.286 483 V C 0.228 176.367 176.094 0.076 0.000 1.034 483 V CA -0.066 62.293 62.300 0.099 0.000 1.045 483 V CB 0.985 32.867 31.823 0.098 0.000 0.974 483 V HN 0.780 nan 8.190 nan 0.000 0.480 484 V N 5.352 125.329 119.914 0.105 0.000 2.462 484 V HA 0.385 4.507 4.120 0.003 0.000 0.288 484 V C -0.343 175.869 176.094 0.197 0.000 1.020 484 V CA -0.678 61.660 62.300 0.063 0.000 0.857 484 V CB 1.637 33.395 31.823 -0.110 0.000 1.013 484 V HN 0.938 nan 8.190 nan 0.000 0.431 485 E N 5.173 125.514 120.200 0.235 0.000 2.158 485 E HA 0.663 5.015 4.350 0.003 0.000 0.271 485 E C -1.126 175.681 176.600 0.344 0.000 0.911 485 E CA -0.545 56.090 56.400 0.393 0.000 0.767 485 E CB 2.741 32.659 29.700 0.362 0.000 1.120 485 E HN 0.556 nan 8.360 nan 0.000 0.405 486 I N 2.594 123.418 120.570 0.422 0.000 2.418 486 I HA 0.287 4.459 4.170 0.003 0.000 0.287 486 I C -0.393 175.920 176.117 0.326 0.000 1.008 486 I CA -0.565 60.930 61.300 0.324 0.000 1.104 486 I CB 1.866 40.060 38.000 0.324 0.000 1.264 486 I HN 0.469 nan 8.210 nan 0.000 0.438 487 T N 0.323 115.012 114.554 0.225 0.000 2.886 487 T HA 0.371 4.722 4.350 0.003 0.000 0.292 487 T C -0.343 174.449 174.700 0.153 0.000 1.012 487 T CA -0.712 61.470 62.100 0.137 0.000 0.982 487 T CB 1.846 70.703 68.868 -0.019 0.000 1.018 487 T HN 0.641 nan 8.240 nan 0.000 0.451 488 D N 1.197 121.687 120.400 0.150 0.000 2.746 488 D HA -0.112 4.530 4.640 0.003 0.000 0.236 488 D C -0.354 175.930 176.300 -0.027 0.000 1.129 488 D CA 0.720 54.815 54.000 0.158 0.000 0.691 488 D CB -0.622 40.357 40.800 0.298 0.000 1.077 488 D HN 0.495 nan 8.370 nan 0.000 0.432 489 M N 0.271 119.748 119.600 -0.204 0.000 2.578 489 M HA 0.494 4.976 4.480 0.003 0.000 0.321 489 M C 0.282 176.166 176.300 -0.694 0.000 1.182 489 M CA -0.701 54.286 55.300 -0.521 0.000 0.965 489 M CB 2.076 34.230 32.600 -0.744 0.000 1.694 489 M HN -0.125 nan 8.290 nan 0.000 0.461 490 I N 2.462 122.549 120.570 -0.805 0.000 2.433 490 I HA 0.475 4.647 4.170 0.003 0.000 0.292 490 I C -1.149 174.541 176.117 -0.712 0.000 1.001 490 I CA -0.450 60.423 61.300 -0.713 0.000 1.119 490 I CB 1.361 38.877 38.000 -0.807 0.000 1.289 490 I HN 0.442 nan 8.210 nan 0.000 0.438 491 F N 3.505 123.383 119.950 -0.120 0.000 2.482 491 F HA 0.720 5.248 4.527 0.002 0.000 0.331 491 F C 0.614 176.377 175.800 -0.063 0.000 1.115 491 F CA -0.592 57.352 58.000 -0.094 0.000 0.955 491 F CB 2.062 41.021 39.000 -0.068 0.000 1.136 491 F HN 0.430 nan 8.300 nan 0.000 0.452 492 T N 0.221 114.851 114.554 0.126 0.000 2.653 492 T HA 0.650 5.002 4.350 0.003 0.000 0.306 492 T C -1.111 173.604 174.700 0.025 0.000 1.426 492 T CA -0.339 61.799 62.100 0.063 0.000 1.008 492 T CB 1.352 70.253 68.868 0.054 0.000 1.692 492 T HN 0.778 nan 8.240 nan 0.000 0.483 493 T N -0.308 114.261 114.554 0.026 0.000 2.916 493 T HA 0.734 5.086 4.350 0.003 0.000 0.292 493 T C -0.854 173.874 174.700 0.047 0.000 1.064 493 T CA -0.897 61.213 62.100 0.017 0.000 1.011 493 T CB 1.771 70.648 68.868 0.016 0.000 1.152 493 T HN 0.708 nan 8.240 nan 0.000 0.510 494 R N 0.662 121.198 120.500 0.060 0.000 2.343 494 R HA 0.611 4.953 4.340 0.003 0.000 0.320 494 R C 0.450 176.789 176.300 0.065 0.000 0.956 494 R CA -0.528 55.605 56.100 0.055 0.000 0.836 494 R CB 0.768 31.106 30.300 0.063 0.000 1.151 494 R HN 0.987 nan 8.270 nan 0.000 0.450 495 G N 3.944 112.771 108.800 0.045 0.000 2.572 495 G HA2 0.341 4.302 3.960 0.003 0.000 0.261 495 G HA3 0.341 4.302 3.960 0.003 0.000 0.261 495 G C -2.361 172.578 174.900 0.065 0.000 1.197 495 G CA -1.125 44.013 45.100 0.064 0.000 0.870 495 G HN 0.470 nan 8.290 nan 0.000 0.548 496 P HA 0.455 nan 4.420 nan 0.000 0.278 496 P C -0.402 176.993 177.300 0.159 0.000 1.238 496 P CA -0.231 62.956 63.100 0.145 0.000 0.794 496 P CB 1.708 33.504 31.700 0.161 0.000 0.955 497 A N 1.622 124.568 122.820 0.210 0.000 3.339 497 A HA 0.520 4.842 4.320 0.003 0.000 0.219 497 A C 1.130 178.876 177.584 0.270 0.000 0.974 497 A CA 0.160 52.326 52.037 0.215 0.000 1.050 497 A CB -0.480 18.625 19.000 0.176 0.000 1.271 497 A HN 0.421 nan 8.150 nan 0.000 0.565 498 A N -0.336 122.619 122.820 0.225 0.000 2.125 498 A HA 0.222 4.544 4.320 0.003 0.000 0.219 498 A C 1.753 179.569 177.584 0.386 0.000 1.156 498 A CA 1.898 54.095 52.037 0.267 0.000 0.671 498 A CB -0.174 18.596 19.000 -0.385 0.000 0.794 498 A HN 1.272 nan 8.150 nan 0.000 0.459 499 G N -1.469 107.465 108.800 0.224 0.000 3.277 499 G HA2 0.443 4.404 3.960 0.003 0.000 0.243 499 G HA3 0.443 4.404 3.960 0.003 0.000 0.243 499 G C 0.430 175.449 174.900 0.199 0.000 1.107 499 G CA 0.535 45.716 45.100 0.135 0.000 0.771 499 G HN 0.688 nan 8.290 nan 0.000 0.544 500 A N 0.801 123.771 122.820 0.251 0.000 2.404 500 A HA 0.615 4.936 4.320 0.003 0.000 0.273 500 A C -0.118 177.535 177.584 0.115 0.000 1.144 500 A CA -0.219 51.903 52.037 0.141 0.000 0.806 500 A CB 0.071 19.073 19.000 0.003 0.000 1.080 500 A HN 0.269 nan 8.150 nan 0.000 0.509 501 I N 4.738 125.353 120.570 0.074 0.000 2.291 501 I HA 0.134 4.305 4.170 0.003 0.000 0.290 501 I C 0.865 176.980 176.117 -0.003 0.000 1.050 501 I CA -0.149 61.188 61.300 0.062 0.000 1.245 501 I CB 0.908 38.969 38.000 0.101 0.000 1.405 501 I HN 0.722 nan 8.210 nan 0.000 0.478 502 I N 5.646 126.206 120.570 -0.016 0.000 2.179 502 I HA -0.112 4.060 4.170 0.003 0.000 0.242 502 I C 0.505 176.568 176.117 -0.090 0.000 1.088 502 I CA 1.243 62.505 61.300 -0.064 0.000 1.357 502 I CB -0.084 37.915 38.000 -0.001 0.000 1.051 502 I HN 0.260 nan 8.210 nan 0.000 0.409 503 V N 1.412 121.313 119.914 -0.021 0.000 2.483 503 V HA 0.235 4.356 4.120 0.003 0.000 0.297 503 V C -0.321 175.818 176.094 0.076 0.000 1.027 503 V CA -0.734 61.541 62.300 -0.041 0.000 0.855 503 V CB 1.759 33.587 31.823 0.009 0.000 0.995 503 V HN 0.190 nan 8.190 nan 0.000 0.424 504 E N 5.146 125.370 120.200 0.040 0.000 2.109 504 E HA 0.190 4.542 4.350 0.003 0.000 0.278 504 E C -1.384 175.245 176.600 0.049 0.000 0.954 504 E CA -0.615 55.837 56.400 0.087 0.000 0.779 504 E CB 1.003 30.750 29.700 0.078 0.000 1.093 504 E HN 0.716 nan 8.360 nan 0.000 0.401 505 W N 6.540 127.780 121.300 -0.100 0.000 2.294 505 W HA 0.283 4.945 4.660 0.003 0.000 0.314 505 W C -0.579 175.878 176.519 -0.104 0.000 1.044 505 W CA -0.534 56.753 57.345 -0.096 0.000 1.284 505 W CB 1.077 30.493 29.460 -0.073 0.000 1.231 505 W HN 0.666 nan 8.180 nan 0.000 0.419 506 N N 3.153 121.817 118.700 -0.060 0.000 2.460 506 N HA -0.066 4.676 4.740 0.003 0.000 0.193 506 N C 0.476 176.006 175.510 0.035 0.000 1.080 506 N CA 0.126 53.172 53.050 -0.008 0.000 0.869 506 N CB 0.607 39.051 38.487 -0.072 0.000 1.201 506 N HN 0.185 nan 8.380 nan 0.000 0.457 507 V N 2.234 122.094 119.914 -0.090 0.000 2.999 507 V HA -0.020 4.102 4.120 0.003 0.000 0.307 507 V C -0.177 176.041 176.094 0.208 0.000 1.084 507 V CA 0.117 62.417 62.300 0.001 0.000 1.155 507 V CB 0.638 32.381 31.823 -0.135 0.000 0.975 507 V HN 0.322 nan 8.190 nan 0.000 0.490 508 H N 3.592 122.724 119.070 0.102 0.000 2.622 508 H HA 0.383 4.941 4.556 0.003 0.000 0.363 508 H C -0.703 174.705 175.328 0.133 0.000 1.151 508 H CA -0.932 55.196 56.048 0.133 0.000 1.184 508 H CB 1.849 31.661 29.762 0.083 0.000 1.643 508 H HN 0.744 nan 8.280 nan 0.000 0.531 509 D N 4.182 124.643 120.400 0.102 0.000 2.506 509 D HA 0.036 4.677 4.640 0.003 0.000 0.234 509 D C -1.986 174.504 176.300 0.317 0.000 1.143 509 D CA -0.558 53.566 54.000 0.207 0.000 0.871 509 D CB 0.682 41.577 40.800 0.158 0.000 1.190 509 D HN 0.355 nan 8.370 nan 0.000 0.459 510 P HA 0.059 nan 4.420 nan 0.000 0.274 510 P C -0.477 176.913 177.300 0.149 0.000 1.246 510 P CA -0.487 62.705 63.100 0.152 0.000 0.795 510 P CB 0.461 32.225 31.700 0.106 0.000 1.006 511 S N 0.149 115.916 115.700 0.111 0.000 2.537 511 S HA 0.334 4.806 4.470 0.003 0.000 0.286 511 S C 1.454 176.108 174.600 0.090 0.000 1.299 511 S CA 0.858 59.117 58.200 0.099 0.000 1.067 511 S CB -0.776 62.464 63.200 0.066 0.000 0.864 511 S HN 0.936 nan 8.310 nan 0.000 0.494 512 G N 2.557 111.413 108.800 0.095 0.000 2.168 512 G HA2 -0.255 3.707 3.960 0.003 0.000 0.257 512 G HA3 -0.255 3.707 3.960 0.003 0.000 0.257 512 G C -0.116 174.828 174.900 0.074 0.000 0.997 512 G CA 0.044 45.190 45.100 0.078 0.000 0.708 512 G HN 0.693 nan 8.290 nan 0.000 0.520 513 Q N 0.107 119.962 119.800 0.091 0.000 2.932 513 Q HA 0.253 4.595 4.340 0.003 0.000 0.248 513 Q C 0.076 176.129 176.000 0.089 0.000 0.982 513 Q CA -0.341 55.509 55.803 0.077 0.000 0.730 513 Q CB 0.829 29.616 28.738 0.082 0.000 1.249 513 Q HN 0.652 nan 8.270 nan 0.000 0.476 514 Q N 0.411 120.250 119.800 0.065 0.000 2.337 514 Q HA 0.266 4.608 4.340 0.003 0.000 0.270 514 Q C 0.642 176.604 176.000 -0.065 0.000 1.002 514 Q CA 0.542 56.381 55.803 0.060 0.000 0.888 514 Q CB 0.803 29.552 28.738 0.018 0.000 1.222 514 Q HN 0.775 nan 8.270 nan 0.000 0.400 515 A N 1.668 124.468 122.820 -0.035 0.000 2.847 515 A HA -0.304 4.018 4.320 0.003 0.000 0.263 515 A C 1.346 178.976 177.584 0.077 0.000 1.391 515 A CA 0.979 52.959 52.037 -0.095 0.000 0.866 515 A CB -2.038 16.588 19.000 -0.624 0.000 1.057 515 A HN 0.921 nan 8.150 nan 0.000 0.673 516 A N -1.100 121.795 122.820 0.124 0.000 2.015 516 A HA 0.438 4.760 4.320 0.003 0.000 0.219 516 A C 1.395 179.123 177.584 0.241 0.000 1.163 516 A CA 1.847 53.982 52.037 0.162 0.000 0.646 516 A CB -0.326 18.753 19.000 0.132 0.000 0.806 516 A HN 2.360 nan 8.150 nan 0.000 0.448 517 A N -0.266 122.720 122.820 0.277 0.000 2.256 517 A HA 0.630 4.952 4.320 0.003 0.000 0.317 517 A C 0.302 178.171 177.584 0.476 0.000 1.318 517 A CA 0.222 52.491 52.037 0.386 0.000 0.894 517 A CB 0.068 19.309 19.000 0.403 0.000 1.165 517 A HN 1.238 nan 8.150 nan 0.000 0.525 518 G N -0.010 109.089 108.800 0.500 0.000 2.559 518 G HA2 0.787 4.749 3.960 0.003 0.000 0.291 518 G HA3 0.787 4.749 3.960 0.003 0.000 0.291 518 G C -1.162 173.767 174.900 0.048 0.000 1.424 518 G CA 0.160 45.316 45.100 0.094 0.000 0.786 518 G HN 1.705 nan 8.290 nan 0.000 0.485 519 A N -0.409 122.119 122.820 -0.486 0.000 2.486 519 A HA 0.868 5.190 4.320 0.003 0.000 0.300 519 A C -1.599 175.687 177.584 -0.498 0.000 1.048 519 A CA -0.609 51.331 52.037 -0.162 0.000 0.696 519 A CB 1.377 20.435 19.000 0.097 0.000 1.278 519 A HN 0.720 nan 8.150 nan 0.000 0.405 520 W N 0.670 121.950 121.300 -0.033 0.000 3.022 520 W HA 0.332 4.993 4.660 0.002 0.000 0.335 520 W C -0.653 175.826 176.519 -0.068 0.000 1.133 520 W CA -0.409 56.894 57.345 -0.069 0.000 1.219 520 W CB 1.572 30.967 29.460 -0.108 0.000 1.409 520 W HN 0.927 nan 8.180 nan 0.000 0.507 521 D N 1.518 122.039 120.400 0.202 0.000 2.751 521 D HA -0.140 4.501 4.640 0.003 0.000 0.233 521 D C -0.253 175.977 176.300 -0.117 0.000 1.149 521 D CA 1.283 55.393 54.000 0.184 0.000 0.682 521 D CB -0.956 40.117 40.800 0.455 0.000 1.068 521 D HN 0.116 nan 8.370 nan 0.000 0.429 522 T N -0.032 114.253 114.554 -0.448 0.000 2.848 522 T HA 0.520 4.871 4.350 0.003 0.000 0.285 522 T C -0.464 173.867 174.700 -0.615 0.000 0.995 522 T CA -0.500 61.350 62.100 -0.416 0.000 0.970 522 T CB 1.786 70.567 68.868 -0.145 0.000 0.976 522 T HN 0.122 nan 8.240 nan 0.000 0.441 523 H N 0.801 119.873 119.070 0.004 0.000 2.961 523 H HA 0.567 5.125 4.556 0.003 0.000 0.371 523 H C -1.220 174.132 175.328 0.040 0.000 1.190 523 H CA -1.001 55.107 56.048 0.100 0.000 1.138 523 H CB 1.224 31.124 29.762 0.229 0.000 1.816 523 H HN 0.239 nan 8.280 nan 0.000 0.551 524 L N 3.030 124.386 121.223 0.223 0.000 2.297 524 L HA 0.249 4.590 4.340 0.003 0.000 0.277 524 L C -0.801 176.132 176.870 0.104 0.000 1.040 524 L CA -0.117 54.811 54.840 0.148 0.000 0.867 524 L CB 0.435 42.581 42.059 0.145 0.000 1.244 524 L HN 0.516 nan 8.230 nan 0.000 0.433 525 I N 4.989 125.627 120.570 0.113 0.000 2.282 525 I HA 0.263 4.435 4.170 0.003 0.000 0.290 525 I C 0.168 176.376 176.117 0.151 0.000 1.090 525 I CA -0.168 61.244 61.300 0.187 0.000 1.231 525 I CB 0.442 38.632 38.000 0.316 0.000 1.434 525 I HN 0.393 nan 8.210 nan 0.000 0.487 526 I N 5.574 126.173 120.570 0.048 0.000 2.306 526 I HA 0.554 4.726 4.170 0.003 0.000 0.288 526 I C 0.967 177.002 176.117 -0.136 0.000 1.036 526 I CA -0.212 61.065 61.300 -0.037 0.000 1.221 526 I CB 0.911 38.876 38.000 -0.058 0.000 1.385 526 I HN 0.749 nan 8.210 nan 0.000 0.472 527 G N 3.973 112.741 108.800 -0.054 0.000 2.782 527 G HA2 0.103 4.065 3.960 0.003 0.000 0.228 527 G HA3 0.103 4.065 3.960 0.003 0.000 0.228 527 G C 0.627 175.492 174.900 -0.058 0.000 1.372 527 G CA -0.153 44.892 45.100 -0.092 0.000 0.862 527 G HN 1.542 nan 8.290 nan 0.000 0.547 528 G N -2.312 106.442 108.800 -0.076 0.000 2.166 528 G HA2 0.231 4.192 3.960 0.003 0.000 0.260 528 G HA3 0.231 4.192 3.960 0.003 0.000 0.260 528 G C 0.966 175.936 174.900 0.116 0.000 0.986 528 G CA 1.977 47.078 45.100 0.003 0.000 0.683 528 G HN 3.004 nan 8.290 nan 0.000 0.527 529 T N -2.965 111.649 114.554 0.101 0.000 2.916 529 T HA 0.842 5.194 4.350 0.003 0.000 0.292 529 T C 0.350 175.066 174.700 0.026 0.000 1.064 529 T CA 0.294 62.471 62.100 0.128 0.000 1.011 529 T CB 1.941 70.961 68.868 0.253 0.000 1.152 529 T HN 1.815 nan 8.240 nan 0.000 0.510 530 A N 1.745 124.570 122.820 0.009 0.000 2.580 530 A HA 0.268 4.590 4.320 0.003 0.000 0.244 530 A C 1.009 178.316 177.584 -0.461 0.000 1.045 530 A CA 0.421 52.375 52.037 -0.138 0.000 0.761 530 A CB -0.988 17.993 19.000 -0.032 0.000 0.962 530 A HN 1.048 nan 8.150 nan 0.000 0.512 531 Q N 0.863 120.384 119.800 -0.465 0.000 2.480 531 Q HA -0.241 4.100 4.340 0.003 0.000 0.265 531 Q C 1.151 176.909 176.000 -0.404 0.000 1.072 531 Q CA 0.942 56.390 55.803 -0.591 0.000 1.018 531 Q CB -2.227 25.792 28.738 -1.198 0.000 1.433 531 Q HN 1.293 nan 8.270 nan 0.000 0.513 532 S N -2.071 113.503 115.700 -0.211 0.000 2.528 532 S HA 0.284 4.755 4.470 0.003 0.000 0.219 532 S C 1.508 176.072 174.600 -0.060 0.000 0.985 532 S CA 0.718 58.869 58.200 -0.082 0.000 0.914 532 S CB 0.782 63.969 63.200 -0.021 0.000 0.776 532 S HN 1.023 nan 8.310 nan 0.000 0.526 533 G N 1.128 109.880 108.800 -0.079 0.000 2.168 533 G HA2 -0.237 3.725 3.960 0.003 0.000 0.263 533 G HA3 -0.237 3.725 3.960 0.003 0.000 0.263 533 G C 0.181 175.042 174.900 -0.066 0.000 0.977 533 G CA 0.610 45.676 45.100 -0.056 0.000 0.659 533 G HN 0.621 nan 8.290 nan 0.000 0.533 534 L N 0.226 121.402 121.223 -0.079 0.000 3.083 534 L HA 0.412 4.754 4.340 0.003 0.000 0.286 534 L C 0.687 177.487 176.870 -0.117 0.000 1.307 534 L CA -0.361 54.412 54.840 -0.112 0.000 0.897 534 L CB 0.584 42.578 42.059 -0.108 0.000 1.306 534 L HN 0.228 nan 8.230 nan 0.000 0.569 535 Q N -0.751 118.989 119.800 -0.098 0.000 2.385 535 Q HA 0.266 4.607 4.340 0.003 0.000 0.262 535 Q C 0.963 176.910 176.000 -0.088 0.000 1.050 535 Q CA -0.554 55.202 55.803 -0.079 0.000 0.903 535 Q CB 2.804 31.507 28.738 -0.059 0.000 1.325 535 Q HN 0.039 nan 8.270 nan 0.000 0.485 536 V N 0.927 120.803 119.914 -0.064 0.000 2.490 536 V HA -0.158 3.964 4.120 0.003 0.000 0.250 536 V C 1.659 177.709 176.094 -0.073 0.000 1.061 536 V CA 2.704 64.962 62.300 -0.070 0.000 1.064 536 V CB -0.735 31.061 31.823 -0.045 0.000 0.670 536 V HN 0.986 nan 8.190 nan 0.000 0.461 537 G N -1.255 107.509 108.800 -0.061 0.000 2.448 537 G HA2 -0.261 3.700 3.960 0.003 0.000 0.219 537 G HA3 -0.261 3.700 3.960 0.003 0.000 0.219 537 G C 1.361 176.223 174.900 -0.063 0.000 1.127 537 G CA 1.067 46.134 45.100 -0.056 0.000 0.766 537 G HN 0.592 nan 8.290 nan 0.000 0.552 538 Q N -1.406 118.347 119.800 -0.079 0.000 2.394 538 Q HA 0.250 4.592 4.340 0.003 0.000 0.218 538 Q C 0.774 176.703 176.000 -0.118 0.000 0.907 538 Q CA 0.457 56.209 55.803 -0.085 0.000 0.919 538 Q CB 0.735 29.422 28.738 -0.084 0.000 1.051 538 Q HN 0.338 nan 8.270 nan 0.000 0.538 539 c N 2.551 121.061 118.600 -0.149 0.000 3.401 539 c HA 0.416 4.987 4.570 0.003 0.000 0.204 539 c C -2.426 171.540 174.090 -0.207 0.000 1.522 539 c CA -1.688 54.508 56.329 -0.221 0.000 1.409 539 c CB -0.153 42.175 42.510 -0.304 0.000 1.967 539 c HN 0.251 nan 8.230 nan 0.000 0.496 540 P HA 0.096 nan 4.420 nan 0.000 0.271 540 P C 1.046 178.239 177.300 -0.178 0.000 1.233 540 P CA 0.622 63.632 63.100 -0.150 0.000 0.789 540 P CB 0.674 32.307 31.700 -0.112 0.000 0.951 541 T N -2.932 111.488 114.554 -0.224 0.000 3.007 541 T HA -0.128 4.223 4.350 0.003 0.000 0.270 541 T C 1.759 176.360 174.700 -0.165 0.000 1.107 541 T CA 1.342 63.253 62.100 -0.315 0.000 1.118 541 T CB -1.195 67.214 68.868 -0.766 0.000 0.889 541 T HN 0.494 nan 8.240 nan 0.000 0.506 542 S N 1.457 117.085 115.700 -0.120 0.000 2.400 542 S HA 0.132 4.604 4.470 0.003 0.000 0.232 542 S C 2.221 176.820 174.600 -0.001 0.000 1.025 542 S CA 1.072 59.243 58.200 -0.048 0.000 0.993 542 S CB -1.256 61.915 63.200 -0.048 0.000 0.808 542 S HN 1.433 nan 8.310 nan 0.000 0.478 543 G N 0.528 109.316 108.800 -0.021 0.000 2.176 543 G HA2 -0.179 3.783 3.960 0.003 0.000 0.253 543 G HA3 -0.179 3.783 3.960 0.003 0.000 0.253 543 G C 0.920 175.840 174.900 0.033 0.000 0.979 543 G CA 0.361 45.485 45.100 0.041 0.000 0.641 543 G HN 1.351 nan 8.290 nan 0.000 0.530 544 A N 0.356 123.169 122.820 -0.012 0.000 2.125 544 A HA 0.343 4.664 4.320 0.003 0.000 0.219 544 A C 2.631 180.206 177.584 -0.015 0.000 1.156 544 A CA 2.111 54.142 52.037 -0.011 0.000 0.671 544 A CB -0.703 18.283 19.000 -0.023 0.000 0.794 544 A HN 1.611 nan 8.150 nan 0.000 0.459 545 G N -1.142 107.632 108.800 -0.044 0.000 2.471 545 G HA2 0.259 4.220 3.960 0.003 0.000 0.219 545 G HA3 0.259 4.220 3.960 0.003 0.000 0.219 545 G C 1.398 176.299 174.900 0.001 0.000 1.125 545 G CA 0.868 45.937 45.100 -0.052 0.000 0.775 545 G HN 1.418 nan 8.290 nan 0.000 0.548 546 G N 0.947 109.788 108.800 0.067 0.000 2.660 546 G HA2 -0.444 3.517 3.960 0.003 0.000 0.321 546 G HA3 -0.444 3.517 3.960 0.003 0.000 0.321 546 G C 1.040 176.046 174.900 0.178 0.000 1.246 546 G CA 0.861 46.041 45.100 0.133 0.000 1.000 546 G HN 0.548 nan 8.290 nan 0.000 0.550 547 N N 1.834 120.628 118.700 0.158 0.000 2.515 547 N HA 0.044 4.785 4.740 0.003 0.000 0.185 547 N C 1.587 177.275 175.510 0.296 0.000 1.109 547 N CA 0.626 53.860 53.050 0.307 0.000 0.903 547 N CB -0.020 38.647 38.487 0.299 0.000 0.969 547 N HN 0.382 nan 8.380 nan 0.000 0.450 548 N N -0.152 118.627 118.700 0.131 0.000 2.494 548 N HA 0.007 4.749 4.740 0.003 0.000 0.182 548 N C 0.305 175.829 175.510 0.024 0.000 1.076 548 N CA 0.588 53.684 53.050 0.077 0.000 0.908 548 N CB 0.072 38.569 38.487 0.015 0.000 0.967 548 N HN 0.323 nan 8.380 nan 0.000 0.449 549 c N 0.397 118.955 118.600 -0.070 0.000 2.855 549 c HA 0.335 4.907 4.570 0.003 0.000 0.279 549 c C 0.426 174.299 174.090 -0.361 0.000 1.270 549 c CA -0.987 55.134 56.329 -0.346 0.000 1.702 549 c CB -1.907 40.182 42.510 -0.703 0.000 1.949 549 c HN 0.075 nan 8.230 nan 0.000 0.618 550 F N 1.152 121.158 119.950 0.093 0.000 2.557 550 F HA 0.284 4.813 4.527 0.003 0.000 0.384 550 F C 1.288 177.158 175.800 0.118 0.000 1.057 550 F CA 0.285 58.405 58.000 0.200 0.000 1.169 550 F CB 0.535 39.649 39.000 0.191 0.000 1.070 550 F HN 0.265 nan 8.300 nan 0.000 0.554 551 A N 2.642 125.639 122.820 0.295 0.000 1.973 551 A HA 0.233 4.554 4.320 0.003 0.000 0.210 551 A C -0.105 177.606 177.584 0.213 0.000 1.200 551 A CA 1.021 53.154 52.037 0.161 0.000 0.707 551 A CB -0.220 18.798 19.000 0.030 0.000 0.862 551 A HN 0.792 nan 8.150 nan 0.000 0.461 552 D N -5.354 115.242 120.400 0.326 0.000 2.694 552 D HA 0.296 4.938 4.640 0.003 0.000 0.260 552 D C -0.058 176.461 176.300 0.365 0.000 1.250 552 D CA -0.623 53.544 54.000 0.279 0.000 0.763 552 D CB -0.028 40.857 40.800 0.141 0.000 1.311 552 D HN -0.116 nan 8.370 nan 0.000 0.420 553 F N 0.416 120.424 119.950 0.096 0.000 2.220 553 F HA 0.453 4.982 4.527 0.003 0.000 0.290 553 F C -0.171 175.478 175.800 -0.251 0.000 1.080 553 F CA 0.653 58.592 58.000 -0.101 0.000 1.318 553 F CB 0.355 39.280 39.000 -0.124 0.000 1.063 553 F HN 0.412 nan 8.300 nan 0.000 0.498 554 L N -0.596 120.561 121.223 -0.110 0.000 2.482 554 L HA 0.530 4.872 4.340 0.003 0.000 0.263 554 L C 0.568 177.390 176.870 -0.080 0.000 0.957 554 L CA -0.191 54.529 54.840 -0.199 0.000 0.836 554 L CB 1.419 43.390 42.059 -0.146 0.000 1.324 554 L HN 0.087 nan 8.230 nan 0.000 0.406 555 G N 3.570 112.286 108.800 -0.141 0.000 2.505 555 G HA2 0.045 4.007 3.960 0.003 0.000 0.214 555 G HA3 0.045 4.007 3.960 0.003 0.000 0.214 555 G C -0.161 174.741 174.900 0.004 0.000 1.237 555 G CA 1.064 46.126 45.100 -0.064 0.000 0.802 555 G HN 0.567 nan 8.290 nan 0.000 0.549 556 L N -0.834 120.392 121.223 0.006 0.000 2.410 556 L HA 0.563 4.905 4.340 0.003 0.000 0.270 556 L C -1.239 175.737 176.870 0.176 0.000 0.983 556 L CA -1.016 53.875 54.840 0.085 0.000 0.822 556 L CB 2.203 44.286 42.059 0.040 0.000 1.285 556 L HN 0.383 nan 8.230 nan 0.000 0.409 557 H N 5.900 125.033 119.070 0.105 0.000 2.762 557 H HA 0.457 5.015 4.556 0.003 0.000 0.310 557 H C -1.404 174.008 175.328 0.140 0.000 1.004 557 H CA -0.872 55.262 56.048 0.142 0.000 1.267 557 H CB 1.073 30.960 29.762 0.207 0.000 1.437 557 H HN 0.626 nan 8.280 nan 0.000 0.498 558 L N 5.860 127.166 121.223 0.138 0.000 2.260 558 L HA 0.174 4.516 4.340 0.003 0.000 0.289 558 L C 0.957 177.775 176.870 -0.088 0.000 1.057 558 L CA -0.490 54.361 54.840 0.018 0.000 0.811 558 L CB 1.175 43.221 42.059 -0.022 0.000 1.184 558 L HN 0.656 nan 8.230 nan 0.000 0.429 559 T N -1.298 113.157 114.554 -0.164 0.000 2.847 559 T HA 0.086 4.438 4.350 0.003 0.000 0.279 559 T C 1.288 175.959 174.700 -0.049 0.000 0.984 559 T CA -0.238 61.739 62.100 -0.204 0.000 0.988 559 T CB 1.671 70.402 68.868 -0.227 0.000 1.040 559 T HN 0.491 nan 8.240 nan 0.000 0.528 560 S N 1.022 116.700 115.700 -0.037 0.000 2.381 560 S HA -0.101 4.371 4.470 0.003 0.000 0.230 560 S C 2.055 176.672 174.600 0.029 0.000 1.052 560 S CA 1.951 60.147 58.200 -0.007 0.000 1.068 560 S CB -1.312 61.880 63.200 -0.012 0.000 0.918 560 S HN 1.020 nan 8.310 nan 0.000 0.448 561 G N 0.563 109.385 108.800 0.038 0.000 2.985 561 G HA2 0.235 4.196 3.960 0.003 0.000 0.209 561 G HA3 0.235 4.196 3.960 0.003 0.000 0.209 561 G C 0.444 175.453 174.900 0.182 0.000 1.165 561 G CA 0.455 45.599 45.100 0.074 0.000 0.776 561 G HN 0.690 nan 8.290 nan 0.000 0.541 562 S N 0.011 115.810 115.700 0.165 0.000 2.632 562 S HA 0.669 5.141 4.470 0.003 0.000 0.267 562 S C 0.127 174.802 174.600 0.125 0.000 1.276 562 S CA 0.141 58.471 58.200 0.217 0.000 0.998 562 S CB 1.740 65.093 63.200 0.255 0.000 0.953 562 S HN 0.590 nan 8.310 nan 0.000 0.547 563 S N -0.139 115.572 115.700 0.019 0.000 2.599 563 S HA 0.899 5.371 4.470 0.003 0.000 0.287 563 S C -0.812 173.773 174.600 -0.024 0.000 1.105 563 S CA -0.592 57.495 58.200 -0.187 0.000 0.899 563 S CB 1.405 64.297 63.200 -0.513 0.000 1.100 563 S HN 1.891 nan 8.310 nan 0.000 0.482 564 A N 1.025 123.753 122.820 -0.153 0.000 2.540 564 A HA 0.650 4.971 4.320 0.003 0.000 0.297 564 A C -2.004 175.593 177.584 0.022 0.000 1.056 564 A CA -0.625 51.265 52.037 -0.244 0.000 0.700 564 A CB 1.006 19.399 19.000 -1.013 0.000 1.280 564 A HN 1.197 nan 8.150 nan 0.000 0.398 565 Y N 2.961 123.214 120.300 -0.078 0.000 2.402 565 Y HA 0.679 5.230 4.550 0.002 0.000 0.332 565 Y C -1.198 174.407 175.900 -0.492 0.000 0.960 565 Y CA -0.595 57.444 58.100 -0.101 0.000 1.228 565 Y CB 0.905 39.259 38.460 -0.177 0.000 1.120 565 Y HN 0.566 nan 8.280 nan 0.000 0.491 566 L N 6.540 127.399 121.223 -0.606 0.000 2.316 566 L HA 0.446 4.788 4.340 0.003 0.000 0.280 566 L C -0.755 175.745 176.870 -0.616 0.000 1.006 566 L CA -0.618 53.865 54.840 -0.595 0.000 0.836 566 L CB 1.847 43.635 42.059 -0.452 0.000 1.221 566 L HN 0.600 nan 8.230 nan 0.000 0.418 567 E N 2.343 122.132 120.200 -0.685 0.000 2.129 567 E HA 0.478 4.830 4.350 0.003 0.000 0.268 567 E C 0.851 177.192 176.600 -0.433 0.000 0.900 567 E CA 0.136 56.154 56.400 -0.636 0.000 0.755 567 E CB 1.384 30.683 29.700 -0.669 0.000 1.117 567 E HN 0.755 nan 8.360 nan 0.000 0.410 568 G N 4.499 113.111 108.800 -0.312 0.000 2.184 568 G HA2 -0.353 3.609 3.960 0.003 0.000 0.264 568 G HA3 -0.353 3.609 3.960 0.003 0.000 0.264 568 G C 0.363 175.348 174.900 0.141 0.000 0.975 568 G CA 0.440 45.523 45.100 -0.028 0.000 0.642 568 G HN 0.578 nan 8.290 nan 0.000 0.536 569 M N 0.564 120.185 119.600 0.036 0.000 2.269 569 M HA 0.420 4.901 4.480 0.003 0.000 0.350 569 M C -0.142 176.386 176.300 0.381 0.000 1.429 569 M CA -0.440 54.950 55.300 0.150 0.000 1.063 569 M CB 0.153 32.753 32.600 -0.001 0.000 1.841 569 M HN 0.253 nan 8.290 nan 0.000 0.455 570 W N 6.637 128.177 121.300 0.400 0.000 2.329 570 W HA 0.494 5.156 4.660 0.003 0.000 0.312 570 W C -1.742 174.902 176.519 0.207 0.000 1.054 570 W CA -1.007 56.453 57.345 0.191 0.000 1.245 570 W CB 1.011 30.471 29.460 -0.001 0.000 1.255 570 W HN 0.347 nan 8.180 nan 0.000 0.436 571 V N 7.829 127.893 119.914 0.251 0.000 2.247 571 V HA 0.063 4.185 4.120 0.003 0.000 0.262 571 V C -0.899 175.245 176.094 0.083 0.000 1.096 571 V CA -0.524 61.846 62.300 0.117 0.000 0.895 571 V CB -0.328 31.523 31.823 0.047 0.000 1.141 571 V HN 0.484 nan 8.190 nan 0.000 0.478 572 W N 6.521 127.544 121.300 -0.463 0.000 2.278 572 W HA 0.505 5.166 4.660 0.002 0.000 0.317 572 W C -0.502 175.765 176.519 -0.420 0.000 1.030 572 W CA -1.087 55.833 57.345 -0.708 0.000 1.334 572 W CB 1.139 29.612 29.460 -1.645 0.000 1.215 572 W HN 0.326 nan 8.180 nan 0.000 0.405 573 L N 7.064 127.881 121.223 -0.677 0.000 2.369 573 L HA 0.413 4.755 4.340 0.003 0.000 0.279 573 L C 0.407 176.569 176.870 -1.180 0.000 1.108 573 L CA 0.169 54.558 54.840 -0.751 0.000 0.852 573 L CB 0.056 41.653 42.059 -0.770 0.000 1.169 573 L HN 0.629 nan 8.230 nan 0.000 0.452 574 A N 4.877 126.862 122.820 -1.392 0.000 2.545 574 A HA 0.035 4.356 4.320 0.003 0.000 0.253 574 A C 1.218 178.145 177.584 -1.096 0.000 1.074 574 A CA 0.228 51.091 52.037 -1.957 0.000 0.760 574 A CB -0.166 18.136 19.000 -1.163 0.000 1.005 574 A HN 0.833 nan 8.150 nan 0.000 0.506 575 D N 2.060 121.869 120.400 -0.985 0.000 2.333 575 D HA -0.038 4.604 4.640 0.003 0.000 0.208 575 D C 0.523 176.723 176.300 -0.166 0.000 0.984 575 D CA 0.985 54.557 54.000 -0.712 0.000 0.873 575 D CB -0.010 40.080 40.800 -1.184 0.000 0.935 575 D HN 0.847 nan 8.370 nan 0.000 0.521 576 H N -1.430 117.615 119.070 -0.042 0.000 2.990 576 H HA 0.359 4.917 4.556 0.003 0.000 0.336 576 H C -1.788 173.638 175.328 0.162 0.000 1.306 576 H CA -0.714 55.391 56.048 0.096 0.000 1.118 576 H CB 1.508 31.389 29.762 0.199 0.000 1.856 576 H HN -0.195 nan 8.280 nan 0.000 0.538 577 D N 1.630 122.198 120.400 0.279 0.000 2.317 577 D HA 0.176 4.817 4.640 0.003 0.000 0.234 577 D C 1.006 177.469 176.300 0.272 0.000 1.112 577 D CA -0.492 53.614 54.000 0.176 0.000 0.840 577 D CB 1.122 41.976 40.800 0.091 0.000 1.078 577 D HN 0.561 nan 8.370 nan 0.000 0.486 578 L N 2.450 123.810 121.223 0.228 0.000 2.313 578 L HA 0.028 4.369 4.340 0.003 0.000 0.214 578 L C 1.131 178.061 176.870 0.100 0.000 1.119 578 L CA 0.612 55.586 54.840 0.222 0.000 0.809 578 L CB 0.139 42.367 42.059 0.283 0.000 0.933 578 L HN 0.343 nan 8.230 nan 0.000 0.449 579 D N -1.723 118.722 120.400 0.075 0.000 2.473 579 D HA 0.045 4.687 4.640 0.003 0.000 0.230 579 D C 2.019 178.324 176.300 0.008 0.000 1.097 579 D CA 0.353 54.366 54.000 0.021 0.000 0.861 579 D CB 0.690 41.500 40.800 0.017 0.000 1.114 579 D HN 0.001 nan 8.370 nan 0.000 0.500 580 S N 0.019 115.731 115.700 0.020 0.000 2.522 580 S HA 0.288 4.760 4.470 0.003 0.000 0.227 580 S C 1.072 175.673 174.600 0.002 0.000 0.986 580 S CA 0.663 58.866 58.200 0.005 0.000 0.929 580 S CB 0.357 63.558 63.200 0.003 0.000 0.769 580 S HN 0.508 nan 8.310 nan 0.000 0.529 581 G N -0.439 108.366 108.800 0.009 0.000 2.719 581 G HA2 0.339 4.301 3.960 0.003 0.000 0.686 581 G HA3 0.339 4.301 3.960 0.003 0.000 0.686 581 G C 0.548 175.450 174.900 0.004 0.000 1.201 581 G CA -0.549 44.550 45.100 -0.003 0.000 0.768 581 G HN 1.100 nan 8.290 nan 0.000 0.629 582 G N -0.204 108.592 108.800 -0.007 0.000 2.179 582 G HA2 0.073 4.035 3.960 0.003 0.000 0.260 582 G HA3 0.073 4.035 3.960 0.003 0.000 0.260 582 G C 1.105 175.995 174.900 -0.017 0.000 0.977 582 G CA 1.376 46.468 45.100 -0.013 0.000 0.641 582 G HN 2.499 nan 8.290 nan 0.000 0.533 583 S N -0.556 115.150 115.700 0.010 0.000 3.631 583 S HA -0.215 4.257 4.470 0.003 0.000 0.366 583 S C 0.523 175.112 174.600 -0.018 0.000 0.993 583 S CA 1.711 59.898 58.200 -0.022 0.000 1.167 583 S CB -0.921 62.139 63.200 -0.234 0.000 0.909 583 S HN 1.041 nan 8.310 nan 0.000 0.478 584 Q N 0.754 120.599 119.800 0.075 0.000 2.304 584 Q HA 0.272 4.614 4.340 0.003 0.000 0.260 584 Q C 0.572 176.630 176.000 0.097 0.000 0.965 584 Q CA -0.059 55.771 55.803 0.045 0.000 0.898 584 Q CB 0.621 29.367 28.738 0.013 0.000 1.196 584 Q HN 0.514 nan 8.270 nan 0.000 0.402 585 Q N 2.253 122.090 119.800 0.062 0.000 2.392 585 Q HA 0.347 4.689 4.340 0.003 0.000 0.262 585 Q C -0.087 175.898 176.000 -0.025 0.000 1.003 585 Q CA 0.243 56.096 55.803 0.082 0.000 0.888 585 Q CB 0.593 29.392 28.738 0.102 0.000 1.260 585 Q HN 0.573 nan 8.270 nan 0.000 0.435 586 I N -2.754 117.798 120.570 -0.031 0.000 2.994 586 I HA 0.545 4.717 4.170 0.003 0.000 0.306 586 I C -0.987 175.059 176.117 -0.118 0.000 1.195 586 I CA -0.969 60.260 61.300 -0.119 0.000 1.001 586 I CB 2.618 40.526 38.000 -0.153 0.000 1.244 586 I HN 0.251 nan 8.210 nan 0.000 0.437 587 S N 5.079 120.634 115.700 -0.242 0.000 2.498 587 S HA 0.688 5.160 4.470 0.003 0.000 0.324 587 S C -0.452 173.628 174.600 -0.866 0.000 1.071 587 S CA -0.595 57.372 58.200 -0.388 0.000 1.113 587 S CB 0.683 63.622 63.200 -0.436 0.000 0.976 587 S HN 0.386 nan 8.310 nan 0.000 0.462 588 L N 2.315 123.125 121.223 -0.687 0.000 2.333 588 L HA 0.663 5.005 4.340 0.003 0.000 0.269 588 L C -1.212 175.353 176.870 -0.508 0.000 1.010 588 L CA -0.974 53.414 54.840 -0.753 0.000 0.818 588 L CB 1.636 43.447 42.059 -0.413 0.000 1.306 588 L HN 0.648 nan 8.230 nan 0.000 0.430 589 W N 1.082 122.300 121.300 -0.137 0.000 2.417 589 W HA 0.602 5.264 4.660 0.002 0.000 0.315 589 W C 0.105 176.811 176.519 0.313 0.000 1.045 589 W CA -0.709 56.638 57.345 0.002 0.000 1.221 589 W CB 1.662 30.889 29.460 -0.389 0.000 1.309 589 W HN 0.334 nan 8.180 nan 0.000 0.453 590 S N 1.889 117.905 115.700 0.527 0.000 2.532 590 S HA 0.173 4.644 4.470 0.003 0.000 0.299 590 S C 0.451 175.038 174.600 -0.022 0.000 1.105 590 S CA -0.567 57.821 58.200 0.313 0.000 1.018 590 S CB 1.208 64.540 63.200 0.220 0.000 1.021 590 S HN 0.556 nan 8.310 nan 0.000 0.483 591 N N 3.504 121.751 118.700 -0.756 0.000 2.142 591 N HA 0.201 4.942 4.740 0.003 0.000 0.186 591 N C 0.496 175.471 175.510 -0.892 0.000 1.023 591 N CA 1.395 53.682 53.050 -1.272 0.000 0.852 591 N CB 0.012 37.220 38.487 -2.131 0.000 0.998 591 N HN 0.787 nan 8.380 nan 0.000 0.424 592 G N -3.172 105.111 108.800 -0.860 0.000 2.673 592 G HA2 0.484 4.445 3.960 0.003 0.000 0.292 592 G HA3 0.484 4.445 3.960 0.003 0.000 0.292 592 G C 0.223 174.600 174.900 -0.873 0.000 1.450 592 G CA -0.319 44.068 45.100 -1.187 0.000 0.837 592 G HN 0.222 nan 8.290 nan 0.000 0.505 593 G N -0.600 107.618 108.800 -0.969 0.000 2.610 593 G HA2 0.364 4.325 3.960 0.003 0.000 0.215 593 G HA3 0.364 4.325 3.960 0.003 0.000 0.215 593 G C 0.329 174.931 174.900 -0.496 0.000 1.243 593 G CA 0.219 44.532 45.100 -1.312 0.000 0.847 593 G HN 0.627 nan 8.290 nan 0.000 0.560 594 I N 0.765 121.199 120.570 -0.227 0.000 2.447 594 I HA 0.430 4.601 4.170 0.003 0.000 0.287 594 I C -0.859 175.356 176.117 0.163 0.000 1.023 594 I CA -0.271 60.990 61.300 -0.065 0.000 1.083 594 I CB 2.240 40.109 38.000 -0.218 0.000 1.245 594 I HN 0.162 nan 8.210 nan 0.000 0.434 595 M N 6.028 125.739 119.600 0.184 0.000 2.190 595 M HA 0.434 4.915 4.480 0.003 0.000 0.312 595 M C -1.112 175.244 176.300 0.093 0.000 0.990 595 M CA -0.154 55.207 55.300 0.103 0.000 0.927 595 M CB 1.638 34.328 32.600 0.150 0.000 1.571 595 M HN 0.563 nan 8.290 nan 0.000 0.427 596 S N 3.370 119.056 115.700 -0.024 0.000 2.449 596 S HA 0.403 4.874 4.470 0.003 0.000 0.310 596 S C -0.070 174.469 174.600 -0.102 0.000 1.096 596 S CA -0.466 57.747 58.200 0.022 0.000 1.095 596 S CB 1.029 64.322 63.200 0.156 0.000 1.007 596 S HN 0.900 nan 8.310 nan 0.000 0.474 597 E N 2.232 122.409 120.200 -0.039 0.000 2.548 597 E HA 0.141 4.493 4.350 0.003 0.000 0.206 597 E C -0.087 176.493 176.600 -0.034 0.000 1.005 597 E CA -0.173 56.175 56.400 -0.086 0.000 0.951 597 E CB 0.885 30.550 29.700 -0.059 0.000 1.035 597 E HN 0.517 nan 8.360 nan 0.000 0.470 598 S N 1.097 116.814 115.700 0.030 0.000 2.549 598 S HA -0.024 4.447 4.470 0.003 0.000 0.283 598 S C 1.085 175.727 174.600 0.071 0.000 1.320 598 S CA -0.268 57.965 58.200 0.055 0.000 1.058 598 S CB 0.655 63.870 63.200 0.026 0.000 0.882 598 S HN 0.078 nan 8.310 nan 0.000 0.498 599 Q N 2.871 122.692 119.800 0.036 0.000 2.444 599 Q HA 0.222 4.564 4.340 0.003 0.000 0.206 599 Q C 1.270 177.270 176.000 0.002 0.000 0.948 599 Q CA 0.736 56.544 55.803 0.009 0.000 0.946 599 Q CB -0.658 28.097 28.738 0.028 0.000 1.027 599 Q HN 1.044 nan 8.270 nan 0.000 0.513 600 G N 2.143 110.929 108.800 -0.023 0.000 2.796 600 G HA2 -0.182 3.779 3.960 0.003 0.000 0.571 600 G HA3 -0.182 3.779 3.960 0.003 0.000 0.571 600 G C -2.736 172.080 174.900 -0.140 0.000 1.370 600 G CA -0.749 44.245 45.100 -0.177 0.000 0.856 600 G HN 0.104 nan 8.290 nan 0.000 0.538 601 P HA 0.494 nan 4.420 nan 0.000 0.275 601 P C -0.432 176.353 177.300 -0.859 0.000 1.227 601 P CA -0.163 62.526 63.100 -0.686 0.000 0.781 601 P CB 1.542 32.667 31.700 -0.958 0.000 0.906 602 V N 4.210 123.539 119.914 -0.975 0.000 2.531 602 V HA 0.339 4.461 4.120 0.003 0.000 0.301 602 V C -0.393 175.278 176.094 -0.705 0.000 1.034 602 V CA -0.415 61.373 62.300 -0.853 0.000 0.865 602 V CB 1.837 32.947 31.823 -1.188 0.000 0.995 602 V HN 0.581 nan 8.190 nan 0.000 0.424 603 W N 5.978 127.140 121.300 -0.229 0.000 2.361 603 W HA 0.567 5.229 4.660 0.002 0.000 0.314 603 W C -0.868 175.459 176.519 -0.319 0.000 1.041 603 W CA -0.728 56.523 57.345 -0.156 0.000 1.241 603 W CB 1.715 31.081 29.460 -0.156 0.000 1.279 603 W HN 0.352 nan 8.180 nan 0.000 0.436 604 L N 6.124 127.330 121.223 -0.029 0.000 2.297 604 L HA 0.370 4.711 4.340 0.003 0.000 0.277 604 L C -0.173 176.656 176.870 -0.069 0.000 1.040 604 L CA -0.706 54.075 54.840 -0.100 0.000 0.867 604 L CB 0.664 42.706 42.059 -0.029 0.000 1.244 604 L HN 0.199 nan 8.230 nan 0.000 0.433 605 I N 3.144 123.620 120.570 -0.157 0.000 2.307 605 I HA 0.274 4.446 4.170 0.003 0.000 0.287 605 I C 1.195 177.280 176.117 -0.054 0.000 1.054 605 I CA -0.174 61.092 61.300 -0.057 0.000 1.218 605 I CB 0.659 38.556 38.000 -0.172 0.000 1.398 605 I HN 0.852 nan 8.210 nan 0.000 0.475 606 G N 4.432 113.269 108.800 0.061 0.000 2.221 606 G HA2 -0.253 3.709 3.960 0.003 0.000 0.265 606 G HA3 -0.253 3.709 3.960 0.003 0.000 0.265 606 G C 0.409 175.328 174.900 0.032 0.000 1.041 606 G CA 0.623 45.769 45.100 0.077 0.000 0.807 606 G HN 0.789 nan 8.290 nan 0.000 0.502 607 T N -2.447 112.142 114.554 0.057 0.000 2.849 607 T HA 0.850 5.202 4.350 0.003 0.000 0.284 607 T C 0.224 175.064 174.700 0.233 0.000 1.004 607 T CA 0.481 62.661 62.100 0.134 0.000 1.021 607 T CB 2.316 71.278 68.868 0.157 0.000 1.013 607 T HN 1.915 nan 8.240 nan 0.000 0.527 608 A N 0.634 123.629 122.820 0.292 0.000 2.549 608 A HA 0.722 5.044 4.320 0.003 0.000 0.297 608 A C -0.452 177.333 177.584 0.336 0.000 1.061 608 A CA -0.820 51.431 52.037 0.356 0.000 0.690 608 A CB 1.876 21.040 19.000 0.273 0.000 1.287 608 A HN 1.047 nan 8.150 nan 0.000 0.402 609 S N 0.866 116.708 115.700 0.237 0.000 2.736 609 S HA 0.608 5.079 4.470 0.003 0.000 0.285 609 S C -1.273 173.412 174.600 0.141 0.000 1.163 609 S CA -0.324 57.916 58.200 0.066 0.000 1.025 609 S CB 0.772 63.708 63.200 -0.440 0.000 1.030 609 S HN 0.643 nan 8.310 nan 0.000 0.486 610 E N 2.441 122.691 120.200 0.084 0.000 2.292 610 E HA 0.414 4.765 4.350 0.003 0.000 0.272 610 E C -0.970 175.234 176.600 -0.660 0.000 0.881 610 E CA -0.912 55.301 56.400 -0.312 0.000 0.754 610 E CB 1.429 30.836 29.700 -0.489 0.000 1.201 610 E HN 0.939 nan 8.360 nan 0.000 0.425 611 H N -0.373 118.561 119.070 -0.226 0.000 2.999 611 H HA -0.142 4.415 4.556 0.003 0.000 0.262 611 H C -0.326 174.692 175.328 -0.516 0.000 1.240 611 H CA 0.374 56.166 56.048 -0.427 0.000 1.115 611 H CB -1.623 27.797 29.762 -0.571 0.000 1.274 611 H HN 0.474 nan 8.280 nan 0.000 0.358 612 H N 0.051 119.051 119.070 -0.118 0.000 2.488 612 H HA 0.227 4.784 4.556 0.003 0.000 0.347 612 H C 1.494 176.740 175.328 -0.137 0.000 1.174 612 H CA 0.032 55.992 56.048 -0.148 0.000 1.307 612 H CB 1.475 31.076 29.762 -0.270 0.000 1.517 612 H HN 0.109 nan 8.280 nan 0.000 0.554 613 I N 0.564 121.135 120.570 0.001 0.000 2.277 613 I HA -0.208 3.963 4.170 0.003 0.000 0.243 613 I C 1.830 177.899 176.117 -0.080 0.000 1.094 613 I CA 0.811 62.125 61.300 0.024 0.000 1.393 613 I CB -0.062 38.043 38.000 0.175 0.000 1.078 613 I HN 0.509 nan 8.210 nan 0.000 0.417 614 N N -0.457 118.115 118.700 -0.213 0.000 2.368 614 N HA 0.014 4.756 4.740 0.003 0.000 0.176 614 N C -0.571 174.973 175.510 0.055 0.000 1.021 614 N CA 0.725 53.702 53.050 -0.122 0.000 0.888 614 N CB 0.599 39.012 38.487 -0.124 0.000 0.995 614 N HN 0.361 nan 8.380 nan 0.000 0.437 615 Y N -2.596 117.695 120.300 -0.014 0.000 2.620 615 Y HA 0.387 4.939 4.550 0.003 0.000 0.331 615 Y C 0.220 176.120 175.900 0.001 0.000 1.173 615 Y CA -1.016 57.105 58.100 0.034 0.000 1.076 615 Y CB 0.443 38.916 38.460 0.022 0.000 1.336 615 Y HN -0.384 nan 8.280 nan 0.000 0.459 616 Q N 0.775 120.694 119.800 0.199 0.000 2.226 616 Q HA 0.198 4.539 4.340 0.003 0.000 0.199 616 Q C -0.743 175.231 176.000 -0.043 0.000 0.945 616 Q CA 1.180 57.018 55.803 0.057 0.000 0.861 616 Q CB 0.378 29.171 28.738 0.090 0.000 0.953 616 Q HN 0.792 nan 8.270 nan 0.000 0.490 617 Y N -0.475 119.930 120.300 0.176 0.000 2.391 617 Y HA 0.445 4.996 4.550 0.003 0.000 0.341 617 Y C -0.927 175.041 175.900 0.114 0.000 0.965 617 Y CA -1.278 56.911 58.100 0.149 0.000 1.067 617 Y CB 1.728 40.222 38.460 0.057 0.000 1.199 617 Y HN -0.121 nan 8.280 nan 0.000 0.450 618 F N 5.105 124.990 119.950 -0.110 0.000 2.553 618 F HA 0.567 5.095 4.527 0.002 0.000 0.335 618 F C -1.847 173.813 175.800 -0.232 0.000 1.148 618 F CA -2.035 55.709 58.000 -0.426 0.000 0.963 618 F CB 0.783 39.050 39.000 -1.222 0.000 1.217 618 F HN 0.348 nan 8.300 nan 0.000 0.441 619 L N 6.612 127.770 121.223 -0.108 0.000 2.265 619 L HA 0.471 4.813 4.340 0.003 0.000 0.289 619 L C -0.329 176.249 176.870 -0.488 0.000 1.033 619 L CA -0.580 54.073 54.840 -0.312 0.000 0.814 619 L CB 1.360 43.274 42.059 -0.241 0.000 1.203 619 L HN 0.559 nan 8.230 nan 0.000 0.423 620 K N 4.688 124.694 120.400 -0.657 0.000 2.535 620 K HA 0.253 4.575 4.320 0.003 0.000 0.253 620 K C -0.357 176.046 176.600 -0.329 0.000 0.953 620 K CA -0.525 55.389 56.287 -0.623 0.000 0.863 620 K CB 0.715 32.588 32.500 -1.046 0.000 1.111 620 K HN 0.590 nan 8.250 nan 0.000 0.431 621 N N 0.753 119.332 118.700 -0.203 0.000 2.735 621 N HA -0.216 4.525 4.740 0.003 0.000 0.248 621 N C -0.837 174.588 175.510 -0.141 0.000 1.083 621 N CA 1.214 54.189 53.050 -0.125 0.000 0.703 621 N CB -1.381 37.050 38.487 -0.094 0.000 1.005 621 N HN 0.627 nan 8.380 nan 0.000 0.550 622 A N -0.564 122.127 122.820 -0.216 0.000 2.264 622 A HA 0.896 5.217 4.320 0.003 0.000 0.304 622 A C 0.377 177.760 177.584 -0.334 0.000 1.100 622 A CA 0.293 52.166 52.037 -0.275 0.000 0.839 622 A CB 1.362 20.074 19.000 -0.480 0.000 1.121 622 A HN 0.642 nan 8.150 nan 0.000 0.496 623 A N 0.816 123.456 122.820 -0.300 0.000 2.539 623 A HA 0.670 4.992 4.320 0.003 0.000 0.296 623 A C -0.395 177.118 177.584 -0.118 0.000 1.073 623 A CA -0.713 51.051 52.037 -0.455 0.000 0.700 623 A CB 0.631 19.208 19.000 -0.706 0.000 1.296 623 A HN 1.289 nan 8.150 nan 0.000 0.405 624 N N 0.915 119.528 118.700 -0.145 0.000 2.681 624 N HA -0.143 4.599 4.740 0.003 0.000 0.259 624 N C -1.072 174.421 175.510 -0.029 0.000 1.066 624 N CA 1.168 54.176 53.050 -0.070 0.000 0.717 624 N CB -1.306 37.116 38.487 -0.108 0.000 0.885 624 N HN 0.752 nan 8.380 nan 0.000 0.547 625 H N 0.072 119.009 119.070 -0.221 0.000 2.489 625 H HA 0.403 4.961 4.556 0.002 0.000 0.343 625 H C -0.531 174.726 175.328 -0.119 0.000 1.086 625 H CA -0.448 55.468 56.048 -0.220 0.000 1.198 625 H CB 0.758 30.407 29.762 -0.188 0.000 1.490 625 H HN 0.301 nan 8.280 nan 0.000 0.504 626 Y N 3.804 124.019 120.300 -0.142 0.000 2.328 626 Y HA 0.507 5.059 4.550 0.002 0.000 0.337 626 Y C -1.032 174.880 175.900 0.019 0.000 1.008 626 Y CA -0.790 57.299 58.100 -0.017 0.000 1.129 626 Y CB 0.489 38.983 38.460 0.057 0.000 1.185 626 Y HN 0.569 nan 8.280 nan 0.000 0.476 627 I N 6.462 126.639 120.570 -0.655 0.000 2.468 627 I HA 0.626 4.798 4.170 0.003 0.000 0.284 627 I C -0.282 175.487 176.117 -0.580 0.000 1.038 627 I CA -0.623 60.398 61.300 -0.464 0.000 1.083 627 I CB 1.703 39.553 38.000 -0.249 0.000 1.223 627 I HN 0.859 nan 8.210 nan 0.000 0.443 628 G N 6.024 114.563 108.800 -0.435 0.000 2.717 628 G HA2 0.411 4.372 3.960 0.003 0.000 0.300 628 G HA3 0.411 4.372 3.960 0.003 0.000 0.300 628 G C -1.731 173.224 174.900 0.092 0.000 1.424 628 G CA -0.630 44.389 45.100 -0.134 0.000 1.033 628 G HN 0.482 nan 8.290 nan 0.000 0.577 629 L N 1.982 123.262 121.223 0.096 0.000 2.436 629 L HA 0.786 5.128 4.340 0.003 0.000 0.265 629 L C 0.633 177.500 176.870 -0.004 0.000 1.168 629 L CA -0.338 54.518 54.840 0.026 0.000 0.815 629 L CB 1.134 43.206 42.059 0.021 0.000 1.109 629 L HN 0.806 nan 8.230 nan 0.000 0.462 630 A N 4.352 127.149 122.820 -0.038 0.000 2.342 630 A HA 0.599 4.920 4.320 0.003 0.000 0.323 630 A C -1.126 176.530 177.584 0.121 0.000 1.125 630 A CA -0.529 51.530 52.037 0.036 0.000 0.785 630 A CB 1.467 20.385 19.000 -0.138 0.000 1.221 630 A HN 0.661 nan 8.150 nan 0.000 0.463 631 Q N 1.044 121.002 119.800 0.264 0.000 2.372 631 Q HA 0.672 5.013 4.340 0.003 0.000 0.273 631 Q C -1.155 175.051 176.000 0.344 0.000 1.078 631 Q CA -0.274 55.654 55.803 0.209 0.000 0.806 631 Q CB 2.302 31.106 28.738 0.109 0.000 1.332 631 Q HN 0.999 nan 8.270 nan 0.000 0.435 632 T N -0.077 114.627 114.554 0.250 0.000 2.864 632 T HA 0.725 5.077 4.350 0.003 0.000 0.299 632 T C -0.751 174.087 174.700 0.230 0.000 1.166 632 T CA -0.732 61.519 62.100 0.252 0.000 1.007 632 T CB 2.192 71.184 68.868 0.208 0.000 1.219 632 T HN 0.527 nan 8.240 nan 0.000 0.506 633 E N 0.344 120.683 120.200 0.231 0.000 2.331 633 E HA 0.455 4.806 4.350 0.003 0.000 0.275 633 E C -0.918 175.833 176.600 0.252 0.000 0.895 633 E CA -0.938 55.693 56.400 0.385 0.000 0.753 633 E CB 2.413 32.480 29.700 0.613 0.000 1.216 633 E HN 0.713 nan 8.360 nan 0.000 0.434 634 T N 3.671 118.416 114.554 0.318 0.000 2.918 634 T HA 0.194 4.545 4.350 0.003 0.000 0.302 634 T C -2.239 172.596 174.700 0.224 0.000 1.045 634 T CA -1.074 61.136 62.100 0.183 0.000 1.114 634 T CB 0.430 69.376 68.868 0.130 0.000 0.965 634 T HN 0.242 nan 8.240 nan 0.000 0.540 635 P HA 0.045 nan 4.420 nan 0.000 0.269 635 P C 0.076 177.077 177.300 -0.499 0.000 1.209 635 P CA -0.236 62.581 63.100 -0.472 0.000 0.776 635 P CB 0.531 31.650 31.700 -0.967 0.000 0.876 636 Y N 1.606 121.474 120.300 -0.720 0.000 2.439 636 Y HA -0.078 4.473 4.550 0.003 0.000 0.292 636 Y C 2.219 177.480 175.900 -1.065 0.000 1.130 636 Y CA 0.503 58.076 58.100 -0.879 0.000 1.254 636 Y CB -1.668 36.014 38.460 -1.296 0.000 1.000 636 Y HN 0.304 nan 8.280 nan 0.000 0.554 637 F N -0.150 119.472 119.950 -0.548 0.000 2.325 637 F HA 0.069 4.598 4.527 0.003 0.000 0.299 637 F C 0.809 176.563 175.800 -0.076 0.000 1.090 637 F CA -0.420 57.399 58.000 -0.302 0.000 1.392 637 F CB -1.325 37.722 39.000 0.078 0.000 1.053 637 F HN -0.136 nan 8.300 nan 0.000 0.521 638 Q N 3.228 122.938 119.800 -0.151 0.000 2.364 638 Q HA 0.085 4.427 4.340 0.003 0.000 0.267 638 Q C -1.729 174.284 176.000 0.022 0.000 0.999 638 Q CA -1.508 54.302 55.803 0.011 0.000 0.886 638 Q CB 0.467 29.146 28.738 -0.099 0.000 1.243 638 Q HN 0.075 nan 8.270 nan 0.000 0.415 639 P HA 0.015 nan 4.420 nan 0.000 0.256 639 P C -0.640 176.712 177.300 0.086 0.000 1.384 639 P CA 0.324 63.453 63.100 0.048 0.000 0.879 639 P CB 0.127 31.836 31.700 0.015 0.000 1.403 640 N N 1.948 120.737 118.700 0.148 0.000 2.706 640 N HA 0.264 5.006 4.740 0.003 0.000 0.240 640 N C -2.573 173.055 175.510 0.196 0.000 1.039 640 N CA -2.366 50.768 53.050 0.140 0.000 0.888 640 N CB 1.056 39.617 38.487 0.124 0.000 1.128 640 N HN 0.006 nan 8.380 nan 0.000 0.512 641 P HA 0.245 nan 4.420 nan 0.000 0.280 641 P C -0.649 176.691 177.300 0.066 0.000 1.272 641 P CA -0.515 62.594 63.100 0.015 0.000 0.819 641 P CB 1.326 32.945 31.700 -0.134 0.000 1.122 642 N N 0.503 119.210 118.700 0.012 0.000 2.525 642 N HA 0.187 4.928 4.740 0.003 0.000 0.271 642 N C -2.192 173.314 175.510 -0.006 0.000 1.194 642 N CA -1.166 51.883 53.050 -0.002 0.000 0.964 642 N CB 0.087 38.559 38.487 -0.024 0.000 1.126 642 N HN 0.292 nan 8.380 nan 0.000 0.452 643 P HA 0.026 nan 4.420 nan 0.000 0.266 643 P C -2.051 175.236 177.300 -0.020 0.000 1.195 643 P CA -0.733 62.357 63.100 -0.017 0.000 0.768 643 P CB 0.244 31.907 31.700 -0.061 0.000 0.838 644 P HA 0.123 nan 4.420 nan 0.000 0.262 644 P C 0.035 177.369 177.300 0.057 0.000 1.304 644 P CA 0.137 63.250 63.100 0.022 0.000 0.859 644 P CB 0.169 31.882 31.700 0.021 0.000 1.310 645 A N 2.782 125.592 122.820 -0.017 0.000 2.483 645 A HA 0.269 4.591 4.320 0.003 0.000 0.238 645 A C -1.380 176.063 177.584 -0.235 0.000 1.070 645 A CA -0.795 51.171 52.037 -0.118 0.000 0.770 645 A CB -0.403 18.505 19.000 -0.154 0.000 1.008 645 A HN 0.058 nan 8.150 nan 0.000 0.497 646 P HA 0.150 nan 4.420 nan 0.000 0.256 646 P C -0.271 176.878 177.300 -0.252 0.000 1.384 646 P CA 0.064 62.870 63.100 -0.489 0.000 0.879 646 P CB -0.144 30.989 31.700 -0.944 0.000 1.403 647 F N 1.451 121.335 119.950 -0.110 0.000 2.368 647 F HA 0.294 4.823 4.527 0.003 0.000 0.308 647 F C 1.655 177.273 175.800 -0.303 0.000 1.198 647 F CA -0.801 57.017 58.000 -0.303 0.000 1.130 647 F CB 0.248 39.116 39.000 -0.220 0.000 1.300 647 F HN -0.214 nan 8.300 nan 0.000 0.537 648 I N -2.342 118.105 120.570 -0.203 0.000 2.863 648 I HA 0.507 4.679 4.170 0.003 0.000 0.311 648 I C -0.342 175.784 176.117 0.014 0.000 1.026 648 I CA -0.863 60.399 61.300 -0.063 0.000 1.077 648 I CB 1.509 39.492 38.000 -0.029 0.000 1.262 648 I HN 0.313 nan 8.210 nan 0.000 0.461 649 T N 3.599 118.174 114.554 0.036 0.000 2.908 649 T HA 0.010 4.361 4.350 0.003 0.000 0.301 649 T C 0.032 174.793 174.700 0.102 0.000 1.019 649 T CA 0.188 62.324 62.100 0.060 0.000 1.152 649 T CB -0.435 68.461 68.868 0.047 0.000 0.966 649 T HN 0.612 nan 8.240 nan 0.000 0.540 650 N N 1.422 120.211 118.700 0.149 0.000 2.461 650 N HA 0.123 4.864 4.740 0.003 0.000 0.284 650 N C 0.835 176.466 175.510 0.202 0.000 1.049 650 N CA -0.488 52.696 53.050 0.224 0.000 0.889 650 N CB 1.711 40.439 38.487 0.402 0.000 1.365 650 N HN 0.538 nan 8.380 nan 0.000 0.499 651 S N 2.736 118.521 115.700 0.143 0.000 2.561 651 S HA 0.021 4.492 4.470 0.003 0.000 0.225 651 S C 0.942 175.589 174.600 0.077 0.000 0.977 651 S CA 0.343 58.601 58.200 0.096 0.000 0.926 651 S CB 0.045 63.283 63.200 0.062 0.000 0.769 651 S HN 0.530 nan 8.310 nan 0.000 0.533 652 N N 0.814 119.559 118.700 0.076 0.000 2.336 652 N HA 0.186 4.928 4.740 0.003 0.000 0.177 652 N C 0.596 175.984 175.510 -0.203 0.000 1.018 652 N CA 0.944 53.919 53.050 -0.124 0.000 0.878 652 N CB -0.277 38.055 38.487 -0.258 0.000 0.997 652 N HN 0.516 nan 8.380 nan 0.000 0.433 653 F N 0.446 120.524 119.950 0.214 0.000 2.706 653 F HA 0.281 4.810 4.527 0.003 0.000 0.308 653 F C 0.066 176.061 175.800 0.325 0.000 1.095 653 F CA -0.418 57.740 58.000 0.264 0.000 1.244 653 F CB 0.649 39.850 39.000 0.335 0.000 1.063 653 F HN -0.296 nan 8.300 nan 0.000 0.582 654 D N 1.455 122.066 120.400 0.352 0.000 2.181 654 D HA 0.269 4.911 4.640 0.003 0.000 0.248 654 D C -2.348 173.882 176.300 -0.116 0.000 1.020 654 D CA -1.746 52.337 54.000 0.138 0.000 0.891 654 D CB 1.157 42.017 40.800 0.100 0.000 1.187 654 D HN -0.174 nan 8.370 nan 0.000 0.443 655 P HA 0.079 nan 4.420 nan 0.000 0.272 655 P C 0.477 177.664 177.300 -0.188 0.000 1.223 655 P CA -0.198 62.507 63.100 -0.659 0.000 0.784 655 P CB 0.826 32.014 31.700 -0.855 0.000 0.923 656 S N 0.323 115.961 115.700 -0.102 0.000 2.370 656 S HA -0.170 4.302 4.470 0.003 0.000 0.226 656 S C 0.742 175.325 174.600 -0.028 0.000 1.033 656 S CA 1.385 59.562 58.200 -0.038 0.000 1.011 656 S CB -0.375 62.808 63.200 -0.028 0.000 0.852 656 S HN 0.573 nan 8.310 nan 0.000 0.457 657 Q N 1.078 120.852 119.800 -0.042 0.000 2.431 657 Q HA 0.421 4.763 4.340 0.003 0.000 0.249 657 Q C -0.927 175.199 176.000 0.211 0.000 1.025 657 Q CA -0.213 55.621 55.803 0.051 0.000 0.835 657 Q CB 1.045 29.802 28.738 0.033 0.000 1.207 657 Q HN 0.349 nan 8.270 nan 0.000 0.490 658 L N 1.215 122.531 121.223 0.155 0.000 2.467 658 L HA 0.213 4.554 4.340 0.003 0.000 0.270 658 L C 1.096 178.030 176.870 0.107 0.000 1.205 658 L CA -0.240 54.694 54.840 0.156 0.000 0.828 658 L CB 0.201 42.284 42.059 0.039 0.000 1.101 658 L HN 0.678 nan 8.230 nan 0.000 0.479 659 G N 1.375 110.053 108.800 -0.203 0.000 2.432 659 G HA2 0.144 4.105 3.960 0.003 0.000 0.239 659 G HA3 0.144 4.105 3.960 0.003 0.000 0.239 659 G C -0.098 174.567 174.900 -0.391 0.000 1.291 659 G CA -0.482 44.166 45.100 -0.753 0.000 0.863 659 G HN 0.756 nan 8.290 nan 0.000 0.560 660 Q N 1.806 121.362 119.800 -0.407 0.000 2.389 660 Q HA 0.495 4.837 4.340 0.003 0.000 0.244 660 Q C 1.065 176.942 176.000 -0.204 0.000 1.056 660 Q CA -0.253 55.416 55.803 -0.223 0.000 0.908 660 Q CB 0.923 29.562 28.738 -0.164 0.000 1.273 660 Q HN 1.166 nan 8.270 nan 0.000 0.471 661 G N 3.349 112.061 108.800 -0.146 0.000 2.417 661 G HA2 -0.295 3.666 3.960 0.003 0.000 0.233 661 G HA3 -0.295 3.666 3.960 0.003 0.000 0.233 661 G C -0.342 174.489 174.900 -0.115 0.000 1.103 661 G CA 0.309 45.348 45.100 -0.102 0.000 0.647 661 G HN 0.645 nan 8.290 nan 0.000 0.512 662 D N 0.004 120.287 120.400 -0.196 0.000 2.645 662 D HA 0.684 5.325 4.640 0.003 0.000 0.228 662 D C 0.250 176.373 176.300 -0.294 0.000 1.148 662 D CA 0.192 54.076 54.000 -0.193 0.000 0.860 662 D CB 1.570 42.276 40.800 -0.157 0.000 1.548 662 D HN 0.754 nan 8.370 nan 0.000 0.460 663 A N 0.882 123.582 122.820 -0.199 0.000 2.531 663 A HA 0.150 4.471 4.320 0.003 0.000 0.236 663 A C -0.558 176.908 177.584 -0.197 0.000 1.062 663 A CA 0.149 52.083 52.037 -0.170 0.000 0.760 663 A CB -0.059 18.903 19.000 -0.065 0.000 0.995 663 A HN 0.541 nan 8.150 nan 0.000 0.501 664 W N 1.476 122.752 121.300 -0.041 0.000 2.210 664 W HA 0.369 5.030 4.660 0.003 0.000 0.330 664 W C 1.306 177.773 176.519 -0.087 0.000 1.334 664 W CA 0.223 57.524 57.345 -0.074 0.000 1.227 664 W CB 0.727 30.136 29.460 -0.086 0.000 1.178 664 W HN 0.855 nan 8.180 nan 0.000 0.560 665 A N 3.942 126.797 122.820 0.058 0.000 1.858 665 A HA -0.060 4.261 4.320 0.003 0.000 0.216 665 A C 0.753 178.185 177.584 -0.253 0.000 1.190 665 A CA 1.226 53.115 52.037 -0.248 0.000 0.617 665 A CB -0.173 18.387 19.000 -0.734 0.000 0.827 665 A HN 0.674 nan 8.150 nan 0.000 0.443 666 M N -0.946 118.507 119.600 -0.246 0.000 2.324 666 M HA 0.455 4.936 4.480 0.003 0.000 0.288 666 M C -1.339 174.900 176.300 -0.101 0.000 1.097 666 M CA -0.188 55.059 55.300 -0.088 0.000 0.928 666 M CB 2.236 34.768 32.600 -0.112 0.000 1.648 666 M HN 0.175 nan 8.290 nan 0.000 0.460 667 T N 3.547 118.026 114.554 -0.124 0.000 2.893 667 T HA 0.791 5.142 4.350 0.003 0.000 0.293 667 T C -1.837 172.803 174.700 -0.099 0.000 1.027 667 T CA -0.448 61.437 62.100 -0.358 0.000 0.988 667 T CB 1.393 69.791 68.868 -0.783 0.000 1.043 667 T HN 0.498 nan 8.240 nan 0.000 0.461 668 V N 5.386 125.220 119.914 -0.135 0.000 2.525 668 V HA 0.520 4.641 4.120 0.003 0.000 0.299 668 V C -0.648 175.417 176.094 -0.048 0.000 1.034 668 V CA -0.775 61.500 62.300 -0.042 0.000 0.863 668 V CB 1.812 33.622 31.823 -0.021 0.000 0.999 668 V HN 0.893 nan 8.190 nan 0.000 0.423 669 Q N 2.870 122.667 119.800 -0.006 0.000 2.340 669 Q HA 0.444 4.785 4.340 0.003 0.000 0.268 669 Q C 0.189 176.166 176.000 -0.039 0.000 1.031 669 Q CA -0.809 54.988 55.803 -0.009 0.000 0.804 669 Q CB 1.610 30.383 28.738 0.059 0.000 1.286 669 Q HN 0.763 nan 8.270 nan 0.000 0.448 670 N N 0.839 119.529 118.700 -0.016 0.000 2.716 670 N HA -0.188 4.554 4.740 0.003 0.000 0.250 670 N C -1.649 173.861 175.510 -0.001 0.000 1.033 670 N CA 0.851 53.900 53.050 -0.002 0.000 0.727 670 N CB -0.464 38.018 38.487 -0.009 0.000 0.950 670 N HN 0.473 nan 8.380 nan 0.000 0.541 671 S N 0.372 116.066 115.700 -0.009 0.000 2.532 671 S HA 0.552 5.024 4.470 0.003 0.000 0.301 671 S C -0.636 173.982 174.600 0.029 0.000 1.083 671 S CA -0.783 57.382 58.200 -0.059 0.000 1.025 671 S CB 1.649 64.752 63.200 -0.162 0.000 1.056 671 S HN 0.477 nan 8.310 nan 0.000 0.494 672 H N -1.857 117.178 119.070 -0.058 0.000 2.928 672 H HA 0.561 5.118 4.556 0.002 0.000 0.371 672 H C 0.312 175.628 175.328 -0.020 0.000 1.186 672 H CA -0.407 55.627 56.048 -0.022 0.000 1.134 672 H CB 0.954 30.712 29.762 -0.006 0.000 1.824 672 H HN 0.928 nan 8.280 nan 0.000 0.554 673 G N 1.910 110.777 108.800 0.112 0.000 2.273 673 G HA2 -0.215 3.747 3.960 0.003 0.000 0.280 673 G HA3 -0.215 3.747 3.960 0.003 0.000 0.280 673 G C -0.292 174.600 174.900 -0.014 0.000 1.047 673 G CA 0.321 45.452 45.100 0.052 0.000 0.869 673 G HN 0.544 nan 8.290 nan 0.000 0.502 674 I N 0.230 120.783 120.570 -0.027 0.000 2.312 674 I HA 0.454 4.626 4.170 0.003 0.000 0.290 674 I C 0.092 176.186 176.117 -0.039 0.000 1.008 674 I CA -1.380 59.878 61.300 -0.069 0.000 1.226 674 I CB 1.252 39.156 38.000 -0.159 0.000 1.371 674 I HN 0.115 nan 8.210 nan 0.000 0.468 675 L N 8.936 130.161 121.223 0.003 0.000 2.295 675 L HA 0.472 4.814 4.340 0.003 0.000 0.281 675 L C -0.654 176.191 176.870 -0.041 0.000 1.018 675 L CA -0.380 54.506 54.840 0.076 0.000 0.841 675 L CB 1.421 43.617 42.059 0.229 0.000 1.218 675 L HN 0.267 nan 8.230 nan 0.000 0.424 676 V N 6.298 126.129 119.914 -0.138 0.000 2.333 676 V HA 0.323 4.445 4.120 0.003 0.000 0.274 676 V C -0.532 175.630 176.094 0.113 0.000 1.028 676 V CA -0.190 62.005 62.300 -0.175 0.000 0.851 676 V CB 0.737 32.298 31.823 -0.436 0.000 1.000 676 V HN 0.644 nan 8.190 nan 0.000 0.456 677 F N 4.422 124.334 119.950 -0.062 0.000 2.451 677 F HA 0.721 5.249 4.527 0.002 0.000 0.367 677 F C 0.572 176.426 175.800 0.089 0.000 1.100 677 F CA 0.054 58.127 58.000 0.122 0.000 1.171 677 F CB 0.824 39.947 39.000 0.206 0.000 1.405 677 F HN 0.759 nan 8.300 nan 0.000 0.482 678 G N 3.486 112.224 108.800 -0.103 0.000 3.322 678 G HA2 0.441 4.403 3.960 0.003 0.000 0.686 678 G HA3 0.441 4.403 3.960 0.003 0.000 0.686 678 G C -1.414 173.430 174.900 -0.093 0.000 1.015 678 G CA -0.458 44.604 45.100 -0.064 0.000 0.826 678 G HN 1.409 nan 8.290 nan 0.000 0.538 679 A N 1.068 123.781 122.820 -0.179 0.000 2.549 679 A HA 1.068 5.390 4.320 0.003 0.000 0.297 679 A C 0.152 177.481 177.584 -0.424 0.000 1.061 679 A CA 0.146 51.904 52.037 -0.465 0.000 0.690 679 A CB 1.948 20.387 19.000 -0.934 0.000 1.287 679 A HN 2.460 nan 8.150 nan 0.000 0.402 680 G N 0.927 109.469 108.800 -0.429 0.000 2.866 680 G HA2 0.580 4.541 3.960 0.003 0.000 0.291 680 G HA3 0.580 4.541 3.960 0.003 0.000 0.291 680 G C -1.449 173.068 174.900 -0.639 0.000 1.476 680 G CA -0.205 44.733 45.100 -0.271 0.000 1.048 680 G HN 0.310 nan 8.290 nan 0.000 0.542 681 F N 2.671 122.395 119.950 -0.377 0.000 2.375 681 F HA 0.549 5.078 4.527 0.003 0.000 0.361 681 F C -0.675 175.072 175.800 -0.087 0.000 1.117 681 F CA -1.867 55.975 58.000 -0.264 0.000 1.037 681 F CB 1.253 40.233 39.000 -0.033 0.000 1.192 681 F HN 0.300 nan 8.300 nan 0.000 0.452 682 Y N 0.164 120.654 120.300 0.316 0.000 2.509 682 Y HA 0.649 5.200 4.550 0.002 0.000 0.341 682 Y C 0.134 176.051 175.900 0.029 0.000 1.038 682 Y CA -2.021 56.128 58.100 0.082 0.000 1.089 682 Y CB 2.121 40.691 38.460 0.184 0.000 1.241 682 Y HN 0.379 nan 8.280 nan 0.000 0.468 683 S N 1.298 116.960 115.700 -0.063 0.000 2.677 683 S HA 0.555 5.027 4.470 0.003 0.000 0.283 683 S C -0.933 173.507 174.600 -0.266 0.000 1.159 683 S CA -0.444 57.746 58.200 -0.018 0.000 1.001 683 S CB 0.057 63.245 63.200 -0.019 0.000 1.032 683 S HN 0.537 nan 8.310 nan 0.000 0.487 684 F N 3.182 123.165 119.950 0.055 0.000 2.706 684 F HA 0.539 5.067 4.527 0.003 0.000 0.308 684 F C -0.158 175.266 175.800 -0.627 0.000 1.095 684 F CA -0.186 57.631 58.000 -0.305 0.000 1.244 684 F CB 0.606 39.312 39.000 -0.490 0.000 1.063 684 F HN 0.419 nan 8.300 nan 0.000 0.582 685 F N -1.315 118.681 119.950 0.076 0.000 2.626 685 F HA 0.475 5.004 4.527 0.003 0.000 0.311 685 F C -0.019 175.772 175.800 -0.015 0.000 1.088 685 F CA -1.301 56.697 58.000 -0.003 0.000 0.949 685 F CB 1.796 40.734 39.000 -0.103 0.000 1.322 685 F HN -0.480 nan 8.300 nan 0.000 0.461 686 S N 1.705 117.528 115.700 0.205 0.000 2.667 686 S HA 0.593 5.065 4.470 0.003 0.000 0.304 686 S C -0.212 174.470 174.600 0.136 0.000 1.135 686 S CA 0.029 58.303 58.200 0.123 0.000 1.125 686 S CB 0.410 63.655 63.200 0.075 0.000 0.996 686 S HN 1.528 nan 8.310 nan 0.000 0.474 687 A N 3.953 126.828 122.820 0.091 0.000 2.362 687 A HA -0.189 4.132 4.320 0.003 0.000 0.290 687 A C 0.527 178.238 177.584 0.211 0.000 1.441 687 A CA 1.441 53.548 52.037 0.117 0.000 0.743 687 A CB -2.529 16.569 19.000 0.163 0.000 1.125 687 A HN 1.738 nan 8.150 nan 0.000 0.378 688 Y N -3.195 117.173 120.300 0.114 0.000 4.916 688 Y HA -0.253 4.299 4.550 0.003 0.000 0.247 688 Y C 0.837 176.897 175.900 0.268 0.000 0.962 688 Y CA 1.484 59.612 58.100 0.048 0.000 1.933 688 Y CB -1.654 36.803 38.460 -0.006 0.000 1.451 688 Y HN 0.899 nan 8.280 nan 0.000 0.539 689 N N 1.025 119.945 118.700 0.366 0.000 2.455 689 N HA 0.178 4.919 4.740 0.003 0.000 0.280 689 N C 0.999 176.658 175.510 0.248 0.000 1.055 689 N CA 0.826 54.040 53.050 0.273 0.000 0.961 689 N CB 1.312 39.899 38.487 0.166 0.000 1.121 689 N HN 0.320 nan 8.380 nan 0.000 0.476 690 T N -0.388 114.259 114.554 0.155 0.000 3.107 690 T HA 0.126 4.478 4.350 0.003 0.000 0.249 690 T C 1.711 176.402 174.700 -0.015 0.000 1.096 690 T CA 0.207 62.300 62.100 -0.012 0.000 1.012 690 T CB -0.035 68.807 68.868 -0.044 0.000 0.977 690 T HN 0.451 nan 8.240 nan 0.000 0.527 691 G N 1.732 110.544 108.800 0.020 0.000 2.475 691 G HA2 -0.293 3.669 3.960 0.003 0.000 0.220 691 G HA3 -0.293 3.669 3.960 0.003 0.000 0.220 691 G C 1.833 176.718 174.900 -0.025 0.000 1.125 691 G CA 1.099 46.201 45.100 0.003 0.000 0.755 691 G HN 0.834 nan 8.290 nan 0.000 0.565 692 c N -0.337 118.243 118.600 -0.032 0.000 2.422 692 c HA 0.071 4.643 4.570 0.003 0.000 0.286 692 c C 2.508 176.535 174.090 -0.106 0.000 1.412 692 c CA 0.659 56.951 56.329 -0.062 0.000 1.786 692 c CB -1.159 41.319 42.510 -0.052 0.000 1.835 692 c HN 0.519 nan 8.230 nan 0.000 0.533 693 Q N 1.685 121.421 119.800 -0.107 0.000 2.170 693 Q HA -0.109 4.232 4.340 0.003 0.000 0.203 693 Q C 2.522 178.424 176.000 -0.163 0.000 0.976 693 Q CA 2.025 57.742 55.803 -0.145 0.000 0.858 693 Q CB -0.141 28.556 28.738 -0.069 0.000 0.907 693 Q HN 0.831 nan 8.270 nan 0.000 0.433 694 S N 1.395 117.032 115.700 -0.106 0.000 2.345 694 S HA -0.064 4.408 4.470 0.003 0.000 0.219 694 S C -0.832 173.695 174.600 -0.122 0.000 1.031 694 S CA 1.115 59.255 58.200 -0.100 0.000 0.984 694 S CB -1.225 61.940 63.200 -0.058 0.000 0.874 694 S HN 0.393 nan 8.310 nan 0.000 0.451 695 P HA 0.011 nan 4.420 nan 0.000 0.242 695 P C -0.619 176.591 177.300 -0.149 0.000 1.197 695 P CA 0.571 63.603 63.100 -0.114 0.000 0.765 695 P CB -0.305 31.342 31.700 -0.087 0.000 0.936 696 Q N 0.415 120.105 119.800 -0.183 0.000 2.463 696 Q HA -0.161 4.180 4.340 0.003 0.000 0.299 696 Q C -0.320 175.566 176.000 -0.190 0.000 1.353 696 Q CA 0.620 56.285 55.803 -0.230 0.000 0.828 696 Q CB -2.509 26.070 28.738 -0.265 0.000 1.157 696 Q HN 0.514 nan 8.270 nan 0.000 0.436 697 N N -2.093 116.518 118.700 -0.149 0.000 2.571 697 N HA 0.168 4.910 4.740 0.003 0.000 0.298 697 N C 0.305 175.761 175.510 -0.090 0.000 1.671 697 N CA -0.287 52.692 53.050 -0.118 0.000 0.900 697 N CB -0.328 38.101 38.487 -0.097 0.000 1.365 697 N HN 0.212 nan 8.380 nan 0.000 0.493 698 c N 0.338 118.875 118.600 -0.104 0.000 2.411 698 c HA -0.068 4.504 4.570 0.003 0.000 0.279 698 c C 1.119 175.181 174.090 -0.046 0.000 1.288 698 c CA 0.954 57.243 56.329 -0.067 0.000 1.764 698 c CB -0.988 41.474 42.510 -0.081 0.000 1.974 698 c HN 0.744 nan 8.230 nan 0.000 0.498 699 Q N -0.902 118.862 119.800 -0.061 0.000 2.511 699 Q HA 0.348 4.690 4.340 0.003 0.000 0.289 699 Q C -0.201 175.773 176.000 -0.044 0.000 1.021 699 Q CA -0.593 55.176 55.803 -0.057 0.000 0.785 699 Q CB 0.964 29.659 28.738 -0.072 0.000 1.472 699 Q HN 0.027 nan 8.270 nan 0.000 0.411 700 N N -0.237 118.444 118.700 -0.031 0.000 2.305 700 N HA 0.020 4.761 4.740 0.003 0.000 0.179 700 N C -0.501 175.088 175.510 0.132 0.000 1.019 700 N CA 1.185 54.269 53.050 0.057 0.000 0.869 700 N CB 0.689 39.215 38.487 0.065 0.000 1.000 700 N HN 0.527 nan 8.380 nan 0.000 0.431 701 Q N -0.885 118.920 119.800 0.008 0.000 2.456 701 Q HA 0.419 4.761 4.340 0.003 0.000 0.283 701 Q C -0.349 175.639 176.000 -0.020 0.000 1.084 701 Q CA -0.452 55.386 55.803 0.057 0.000 0.801 701 Q CB 2.753 31.516 28.738 0.041 0.000 1.434 701 Q HN 0.148 nan 8.270 nan 0.000 0.419 702 I N -0.582 120.095 120.570 0.178 0.000 5.285 702 I HA 0.153 4.324 4.170 0.003 0.000 0.351 702 I C -1.178 175.135 176.117 0.326 0.000 1.206 702 I CA 0.254 61.671 61.300 0.195 0.000 1.527 702 I CB 1.737 39.806 38.000 0.114 0.000 1.694 702 I HN 0.323 nan 8.210 nan 0.000 0.585 703 V N 2.289 122.327 119.914 0.207 0.000 2.531 703 V HA 0.514 4.636 4.120 0.003 0.000 0.301 703 V C -0.993 174.836 176.094 -0.442 0.000 1.034 703 V CA -0.594 61.660 62.300 -0.077 0.000 0.865 703 V CB 1.557 33.307 31.823 -0.122 0.000 0.995 703 V HN 0.218 nan 8.190 nan 0.000 0.424 704 N N 2.851 121.130 118.700 -0.702 0.000 2.296 704 N HA 0.736 5.477 4.740 0.003 0.000 0.294 704 N C -0.955 174.144 175.510 -0.684 0.000 1.033 704 N CA -0.370 52.102 53.050 -0.963 0.000 0.839 704 N CB 2.232 39.712 38.487 -1.677 0.000 1.395 704 N HN 0.633 nan 8.380 nan 0.000 0.479 705 V N 0.056 119.588 119.914 -0.637 0.000 2.864 705 V HA 0.715 4.836 4.120 0.003 0.000 0.314 705 V C -0.024 175.909 176.094 -0.268 0.000 1.073 705 V CA -0.937 61.159 62.300 -0.341 0.000 0.956 705 V CB 1.644 33.359 31.823 -0.180 0.000 1.023 705 V HN 0.723 nan 8.190 nan 0.000 0.435 706 D N 2.405 122.718 120.400 -0.145 0.000 2.440 706 D HA 0.272 4.914 4.640 0.003 0.000 0.269 706 D C 1.060 177.352 176.300 -0.014 0.000 1.249 706 D CA 0.130 54.076 54.000 -0.090 0.000 1.055 706 D CB 0.516 41.279 40.800 -0.062 0.000 1.104 706 D HN 0.489 nan 8.370 nan 0.000 0.561 707 S N -1.331 114.373 115.700 0.007 0.000 2.470 707 S HA -0.071 4.400 4.470 0.003 0.000 0.225 707 S C 1.791 176.436 174.600 0.076 0.000 1.006 707 S CA 0.733 58.964 58.200 0.052 0.000 0.934 707 S CB -0.328 62.892 63.200 0.034 0.000 0.778 707 S HN 0.631 nan 8.310 nan 0.000 0.517 708 S N 0.891 116.625 115.700 0.056 0.000 2.470 708 S HA 0.185 4.656 4.470 0.003 0.000 0.222 708 S C 0.794 175.443 174.600 0.081 0.000 1.024 708 S CA -0.322 57.912 58.200 0.058 0.000 0.931 708 S CB -0.243 62.977 63.200 0.033 0.000 0.791 708 S HN 0.169 nan 8.310 nan 0.000 0.513 709 S N 3.061 118.816 115.700 0.091 0.000 2.552 709 S HA 0.134 4.605 4.470 0.003 0.000 0.289 709 S C -0.292 174.399 174.600 0.152 0.000 1.304 709 S CA 0.009 58.271 58.200 0.104 0.000 1.063 709 S CB 0.417 63.667 63.200 0.084 0.000 0.848 709 S HN 0.580 nan 8.310 nan 0.000 0.499 710 D N 2.641 123.124 120.400 0.139 0.000 2.456 710 D HA 0.456 5.098 4.640 0.003 0.000 0.219 710 D C -0.597 175.782 176.300 0.131 0.000 1.126 710 D CA -0.211 53.874 54.000 0.142 0.000 0.890 710 D CB -0.060 40.821 40.800 0.136 0.000 1.025 710 D HN 0.430 nan 8.370 nan 0.000 0.511 711 I N 2.028 122.709 120.570 0.185 0.000 2.686 711 I HA 0.745 4.917 4.170 0.003 0.000 0.295 711 I C -1.634 174.612 176.117 0.216 0.000 1.114 711 I CA -0.788 60.594 61.300 0.136 0.000 1.038 711 I CB 1.859 39.925 38.000 0.109 0.000 1.238 711 I HN 0.424 nan 8.210 nan 0.000 0.420 712 A N 6.177 129.027 122.820 0.050 0.000 2.386 712 A HA 0.801 5.122 4.320 0.003 0.000 0.311 712 A C -1.759 175.701 177.584 -0.207 0.000 1.068 712 A CA -0.351 51.704 52.037 0.030 0.000 0.743 712 A CB 0.920 19.952 19.000 0.053 0.000 1.258 712 A HN 0.572 nan 8.150 nan 0.000 0.429 713 F N 0.873 120.715 119.950 -0.181 0.000 2.469 713 F HA 0.644 5.172 4.527 0.002 0.000 0.332 713 F C -0.800 174.672 175.800 -0.546 0.000 1.103 713 F CA -0.082 57.791 58.000 -0.212 0.000 0.979 713 F CB 1.923 40.858 39.000 -0.108 0.000 1.137 713 F HN 0.502 nan 8.300 nan 0.000 0.463 714 Y N 0.575 120.983 120.300 0.180 0.000 2.406 714 Y HA 0.360 4.912 4.550 0.002 0.000 0.340 714 Y C 0.413 176.260 175.900 -0.089 0.000 0.975 714 Y CA -1.456 56.661 58.100 0.029 0.000 1.056 714 Y CB 2.096 40.546 38.460 -0.017 0.000 1.210 714 Y HN 0.613 nan 8.280 nan 0.000 0.448 715 S N 2.328 118.072 115.700 0.074 0.000 3.711 715 S HA -0.200 4.271 4.470 0.003 0.000 0.374 715 S C -0.754 173.853 174.600 0.011 0.000 0.969 715 S CA -0.077 58.140 58.200 0.028 0.000 1.198 715 S CB -0.960 62.213 63.200 -0.045 0.000 0.903 715 S HN 0.569 nan 8.310 nan 0.000 0.493 716 L N 3.336 124.564 121.223 0.008 0.000 2.268 716 L HA 0.612 4.953 4.340 0.003 0.000 0.289 716 L C 0.199 177.042 176.870 -0.046 0.000 1.064 716 L CA 0.483 55.282 54.840 -0.067 0.000 0.824 716 L CB 1.016 43.026 42.059 -0.082 0.000 1.202 716 L HN 0.283 nan 8.230 nan 0.000 0.433 717 T N 3.812 118.341 114.554 -0.042 0.000 2.794 717 T HA 0.671 5.022 4.350 0.003 0.000 0.280 717 T C -0.013 174.744 174.700 0.096 0.000 0.987 717 T CA -0.304 61.842 62.100 0.078 0.000 0.993 717 T CB 1.202 70.202 68.868 0.221 0.000 0.939 717 T HN 0.784 nan 8.240 nan 0.000 0.449 718 T N -0.509 114.106 114.554 0.102 0.000 2.916 718 T HA 0.792 5.144 4.350 0.003 0.000 0.292 718 T C -0.820 173.910 174.700 0.050 0.000 1.064 718 T CA -0.766 61.419 62.100 0.142 0.000 1.011 718 T CB 1.463 70.386 68.868 0.093 0.000 1.152 718 T HN 0.294 nan 8.240 nan 0.000 0.510 719 V N 2.180 122.111 119.914 0.028 0.000 2.487 719 V HA 0.388 4.509 4.120 0.003 0.000 0.298 719 V C -0.689 175.212 176.094 -0.321 0.000 1.028 719 V CA -0.538 61.587 62.300 -0.291 0.000 0.860 719 V CB 1.322 32.808 31.823 -0.562 0.000 0.991 719 V HN 1.135 nan 8.190 nan 0.000 0.427 720 D N 2.505 122.676 120.400 -0.382 0.000 2.708 720 D HA -0.143 4.499 4.640 0.003 0.000 0.236 720 D C 0.278 176.455 176.300 -0.205 0.000 1.146 720 D CA 1.301 55.108 54.000 -0.321 0.000 0.662 720 D CB -0.947 39.632 40.800 -0.369 0.000 1.059 720 D HN 0.621 nan 8.370 nan 0.000 0.428 721 T N -0.948 113.508 114.554 -0.163 0.000 2.848 721 T HA 0.361 4.712 4.350 0.003 0.000 0.285 721 T C 1.476 176.096 174.700 -0.133 0.000 0.995 721 T CA -0.554 61.484 62.100 -0.104 0.000 0.970 721 T CB 2.083 70.930 68.868 -0.035 0.000 0.976 721 T HN -0.113 nan 8.240 nan 0.000 0.441 722 T N 1.542 116.008 114.554 -0.148 0.000 2.643 722 T HA -0.059 4.292 4.350 0.003 0.000 0.264 722 T C 0.259 174.685 174.700 -0.457 0.000 1.045 722 T CA 1.245 63.155 62.100 -0.317 0.000 1.155 722 T CB -0.108 68.574 68.868 -0.310 0.000 0.863 722 T HN 0.591 nan 8.240 nan 0.000 0.420 723 W N 2.297 123.568 121.300 -0.049 0.000 2.283 723 W HA 0.440 5.101 4.660 0.002 0.000 0.317 723 W C 1.232 177.729 176.519 -0.037 0.000 1.042 723 W CA -0.828 56.492 57.345 -0.042 0.000 1.348 723 W CB 0.475 29.913 29.460 -0.037 0.000 1.216 723 W HN 0.204 nan 8.180 nan 0.000 0.404 724 Q N 1.840 121.712 119.800 0.119 0.000 2.230 724 Q HA -0.023 4.318 4.340 0.003 0.000 0.202 724 Q C -0.074 175.992 176.000 0.110 0.000 0.963 724 Q CA 0.810 56.655 55.803 0.070 0.000 0.866 724 Q CB 0.423 29.155 28.738 -0.009 0.000 0.931 724 Q HN 0.413 nan 8.270 nan 0.000 0.452 725 F N -0.013 119.883 119.950 -0.089 0.000 2.588 725 F HA 0.348 4.877 4.527 0.003 0.000 0.314 725 F C -1.299 174.390 175.800 -0.184 0.000 1.134 725 F CA -0.674 57.172 58.000 -0.258 0.000 0.961 725 F CB 1.970 40.679 39.000 -0.485 0.000 1.239 725 F HN -0.356 nan 8.300 nan 0.000 0.448 726 S N 3.583 118.755 115.700 -0.880 0.000 2.542 726 S HA 0.813 5.284 4.470 0.003 0.000 0.293 726 S C -1.412 172.673 174.600 -0.858 0.000 1.089 726 S CA -0.784 57.043 58.200 -0.622 0.000 0.961 726 S CB 2.175 65.195 63.200 -0.299 0.000 1.062 726 S HN 0.436 nan 8.310 nan 0.000 0.483 727 V N 2.650 122.272 119.914 -0.486 0.000 2.444 727 V HA 0.421 4.542 4.120 0.003 0.000 0.294 727 V C -0.015 175.932 176.094 -0.245 0.000 1.022 727 V CA -0.812 61.276 62.300 -0.353 0.000 0.850 727 V CB 0.787 32.527 31.823 -0.139 0.000 0.992 727 V HN 1.088 nan 8.190 nan 0.000 0.426 728 N N 3.753 122.306 118.700 -0.245 0.000 2.735 728 N HA -0.248 4.493 4.740 0.003 0.000 0.248 728 N C 0.746 176.166 175.510 -0.151 0.000 1.083 728 N CA 0.591 53.534 53.050 -0.178 0.000 0.703 728 N CB -0.634 37.788 38.487 -0.110 0.000 1.005 728 N HN 1.506 nan 8.380 nan 0.000 0.550 729 A N -1.162 121.551 122.820 -0.178 0.000 2.847 729 A HA -0.324 3.998 4.320 0.003 0.000 0.263 729 A C 0.377 177.919 177.584 -0.069 0.000 1.391 729 A CA 1.747 53.783 52.037 -0.001 0.000 0.866 729 A CB -1.456 17.620 19.000 0.128 0.000 1.057 729 A HN 0.717 nan 8.150 nan 0.000 0.673 730 Q N 0.086 119.782 119.800 -0.173 0.000 2.333 730 Q HA 0.510 4.851 4.340 0.003 0.000 0.265 730 Q C 0.487 176.254 176.000 -0.388 0.000 0.989 730 Q CA -0.022 55.624 55.803 -0.262 0.000 0.842 730 Q CB 1.265 29.878 28.738 -0.209 0.000 1.262 730 Q HN 1.156 nan 8.270 nan 0.000 0.451 731 G N 2.098 110.493 108.800 -0.673 0.000 2.305 731 G HA2 0.210 4.171 3.960 0.003 0.000 0.243 731 G HA3 0.210 4.171 3.960 0.003 0.000 0.243 731 G C 0.195 174.650 174.900 -0.741 0.000 1.288 731 G CA -0.277 44.268 45.100 -0.925 0.000 0.901 731 G HN 0.578 nan 8.290 nan 0.000 0.516 732 V N 3.354 123.184 119.914 -0.140 0.000 2.948 732 V HA 0.236 4.358 4.120 0.003 0.000 0.234 732 V C 0.955 177.266 176.094 0.361 0.000 1.205 732 V CA 0.517 62.866 62.300 0.081 0.000 1.234 732 V CB -0.087 31.822 31.823 0.142 0.000 1.020 732 V HN 0.596 nan 8.190 nan 0.000 0.491 733 I N 2.151 122.940 120.570 0.365 0.000 2.330 733 I HA 0.316 4.487 4.170 0.003 0.000 0.289 733 I C -0.342 175.894 176.117 0.199 0.000 1.001 733 I CA -0.042 61.358 61.300 0.167 0.000 1.193 733 I CB 0.953 38.790 38.000 -0.272 0.000 1.345 733 I HN 0.214 nan 8.210 nan 0.000 0.461 734 N N 5.819 124.525 118.700 0.009 0.000 2.499 734 N HA 0.128 4.870 4.740 0.003 0.000 0.281 734 N C 1.239 176.596 175.510 -0.256 0.000 1.098 734 N CA -0.400 52.383 53.050 -0.446 0.000 0.979 734 N CB 1.436 39.495 38.487 -0.713 0.000 1.121 734 N HN 0.637 nan 8.380 nan 0.000 0.466 735 R N 1.249 121.574 120.500 -0.292 0.000 2.159 735 R HA -0.144 4.198 4.340 0.003 0.000 0.237 735 R C 1.662 177.868 176.300 -0.157 0.000 1.131 735 R CA 1.987 57.973 56.100 -0.190 0.000 0.982 735 R CB -0.516 29.664 30.300 -0.201 0.000 0.868 735 R HN 0.561 nan 8.270 nan 0.000 0.453 736 S N 0.454 116.037 115.700 -0.195 0.000 2.440 736 S HA -0.148 4.324 4.470 0.003 0.000 0.238 736 S C 1.309 175.863 174.600 -0.077 0.000 1.010 736 S CA 1.475 59.590 58.200 -0.142 0.000 0.972 736 S CB -0.459 62.647 63.200 -0.158 0.000 0.774 736 S HN 0.590 nan 8.310 nan 0.000 0.501 737 N N 1.669 120.349 118.700 -0.033 0.000 2.446 737 N HA 0.140 4.882 4.740 0.003 0.000 0.179 737 N C 0.036 175.588 175.510 0.070 0.000 1.054 737 N CA 0.752 53.830 53.050 0.047 0.000 0.905 737 N CB -0.002 38.580 38.487 0.158 0.000 0.973 737 N HN 0.604 nan 8.380 nan 0.000 0.448 738 N N 0.011 118.736 118.700 0.040 0.000 2.497 738 N HA 0.162 4.904 4.740 0.003 0.000 0.284 738 N C -2.837 172.684 175.510 0.017 0.000 1.459 738 N CA -0.893 52.195 53.050 0.063 0.000 0.899 738 N CB 1.106 39.645 38.487 0.087 0.000 1.316 738 N HN 0.125 nan 8.380 nan 0.000 0.500 739 P HA 0.108 nan 4.420 nan 0.000 0.271 739 P C -0.394 176.913 177.300 0.010 0.000 1.216 739 P CA 0.240 63.319 63.100 -0.034 0.000 0.771 739 P CB 1.104 32.766 31.700 -0.063 0.000 0.864 740 N N 1.170 119.882 118.700 0.021 0.000 2.471 740 N HA 0.296 5.038 4.740 0.003 0.000 0.270 740 N C 0.371 175.948 175.510 0.111 0.000 1.490 740 N CA 0.438 53.533 53.050 0.076 0.000 0.850 740 N CB 0.465 39.013 38.487 0.101 0.000 1.411 740 N HN 0.690 nan 8.380 nan 0.000 0.488 741 G N 0.613 109.459 108.800 0.076 0.000 2.460 741 G HA2 -0.275 3.687 3.960 0.003 0.000 0.207 741 G HA3 -0.275 3.687 3.960 0.003 0.000 0.207 741 G C 0.520 175.462 174.900 0.069 0.000 1.170 741 G CA -0.152 45.021 45.100 0.121 0.000 1.151 741 G HN 0.156 nan 8.290 nan 0.000 0.575 742 F N 2.502 122.437 119.950 -0.025 0.000 2.171 742 F HA 0.448 4.976 4.527 0.002 0.000 0.300 742 F C 1.802 177.388 175.800 -0.356 0.000 1.090 742 F CA 2.599 60.498 58.000 -0.169 0.000 1.293 742 F CB -0.267 38.660 39.000 -0.121 0.000 1.013 742 F HN 0.899 nan 8.300 nan 0.000 0.486 743 A N -0.431 122.252 122.820 -0.228 0.000 2.282 743 A HA 0.491 4.812 4.320 0.003 0.000 0.324 743 A C -1.141 176.374 177.584 -0.115 0.000 1.119 743 A CA -0.716 51.151 52.037 -0.283 0.000 0.880 743 A CB 0.485 19.333 19.000 -0.254 0.000 1.294 743 A HN 0.202 nan 8.150 nan 0.000 0.493 744 D N 0.445 120.794 120.400 -0.086 0.000 2.350 744 D HA 0.567 5.209 4.640 0.003 0.000 0.245 744 D C -1.167 175.145 176.300 0.021 0.000 1.036 744 D CA 0.091 54.070 54.000 -0.036 0.000 0.848 744 D CB 1.944 42.696 40.800 -0.079 0.000 1.307 744 D HN 0.344 nan 8.370 nan 0.000 0.469 745 T N 1.440 116.026 114.554 0.054 0.000 2.879 745 T HA 0.421 4.772 4.350 0.003 0.000 0.290 745 T C 0.280 175.032 174.700 0.088 0.000 0.993 745 T CA -0.483 61.665 62.100 0.080 0.000 0.975 745 T CB 1.038 69.981 68.868 0.126 0.000 0.981 745 T HN 0.176 nan 8.240 nan 0.000 0.439 746 I N 2.870 123.471 120.570 0.052 0.000 2.312 746 I HA 0.176 4.347 4.170 0.003 0.000 0.291 746 I C 1.544 177.720 176.117 0.098 0.000 1.031 746 I CA -0.193 61.152 61.300 0.076 0.000 1.293 746 I CB 1.401 39.347 38.000 -0.089 0.000 1.403 746 I HN 0.685 nan 8.210 nan 0.000 0.484 747 T N 4.957 119.597 114.554 0.144 0.000 2.812 747 T HA 0.108 4.459 4.350 0.003 0.000 0.264 747 T C 0.544 175.325 174.700 0.134 0.000 1.042 747 T CA 0.891 63.061 62.100 0.118 0.000 1.140 747 T CB 0.133 69.050 68.868 0.081 0.000 0.870 747 T HN 0.704 nan 8.240 nan 0.000 0.445 748 A N -0.204 122.678 122.820 0.104 0.000 2.547 748 A HA 0.601 4.922 4.320 0.003 0.000 0.297 748 A C -2.281 175.294 177.584 -0.015 0.000 1.056 748 A CA -0.781 51.259 52.037 0.005 0.000 0.688 748 A CB 1.180 20.243 19.000 0.104 0.000 1.282 748 A HN 0.408 nan 8.150 nan 0.000 0.400 749 W N 2.075 123.167 121.300 -0.346 0.000 2.957 749 W HA 0.643 5.305 4.660 0.003 0.000 0.336 749 W C -0.317 176.029 176.519 -0.287 0.000 1.087 749 W CA 0.139 57.272 57.345 -0.352 0.000 1.235 749 W CB 2.149 31.231 29.460 -0.630 0.000 1.399 749 W HN 1.073 nan 8.180 nan 0.000 0.480 750 T N 1.933 115.853 114.554 -1.056 0.000 2.883 750 T HA 0.337 4.689 4.350 0.003 0.000 0.296 750 T C 0.376 174.138 174.700 -1.563 0.000 1.117 750 T CA -0.796 60.713 62.100 -0.985 0.000 1.006 750 T CB 2.101 70.746 68.868 -0.372 0.000 1.191 750 T HN 0.535 nan 8.240 nan 0.000 0.508 751 R N 1.004 120.913 120.500 -0.986 0.000 2.081 751 R HA 0.119 4.461 4.340 0.003 0.000 0.235 751 R C 0.499 176.627 176.300 -0.286 0.000 1.131 751 R CA 1.507 57.265 56.100 -0.571 0.000 0.960 751 R CB -0.336 29.888 30.300 -0.126 0.000 0.856 751 R HN 0.697 nan 8.270 nan 0.000 0.436 752 N N 0.000 118.583 118.700 -0.195 0.000 1.763 752 N HA 0.000 4.742 4.740 0.003 0.000 0.220 752 N CA 0.000 53.004 53.050 -0.077 0.000 0.885 752 N CB 0.000 38.455 38.487 -0.053 0.000 1.341 752 N HN 0.000 nan 8.380 nan 0.000 0.667