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 2r7f_1_A DATA FIRST_RESID 3 DATA SEQUENCE QPELTPAQRT EVELLARGRA DKSRVLRDLK LPETPEAAHA LLLRLGVWDE DATA SEQUENCE ARTPYADRLR AALNAVELPV PDFDPAEERL DLTHLPTFAI DDEGNQDPDD DATA SEQUENCE AVGVEDLGGG LTRLWVHVAD VAALVAPDSP LDLEARARGA TLYLPDRTIG DATA SEQUENCE XLPDELVAKA GLGLHEVSPA LSICLDLDPD GNAEAVDVLL TRVKVQRLAY DATA SEQUENCE QEAQARLEAG EEPFVTLARL ARASRRLREG EGALSIDLPE VRVKADETGA DATA SEQUENCE SVFPLPKPEX RTVVQECXTL AGWGTAIFAD DNEIPLPFAT QDYPTREVAG DATA SEQUENCE DTLPAXWARR KTLARTRFQP SPGPHHGXGL DLYAQATSPX RRYLDLVVHQ DATA SEQUENCE QLRAFLAGRD PLSSKVXAAH IAESQXNADA TRQAERLSRR HHTLRFIAAQ DATA SEQUENCE PERVWDAVVV DRRGAQATLL IPDLAFDVQV NTPAAPGTAL QVQFADIDLP DATA SEQUENCE QXRVRARSV 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 3 Q HA 0.000 nan 4.340 nan 0.000 0.214 3 Q C 0.000 175.999 176.000 -0.002 0.000 1.003 3 Q CA 0.000 55.803 55.803 -0.000 0.000 1.022 3 Q CB 0.000 28.737 28.738 -0.001 0.000 1.108 4 P HA 0.112 nan 4.420 nan 0.000 0.271 4 P C -1.079 176.217 177.300 -0.007 0.000 1.216 4 P CA 0.516 63.612 63.100 -0.007 0.000 0.776 4 P CB 0.747 32.440 31.700 -0.011 0.000 0.881 5 E N 1.722 121.918 120.200 -0.005 0.000 2.145 5 E HA 0.388 4.738 4.350 -0.000 0.000 0.270 5 E C -0.707 175.889 176.600 -0.006 0.000 0.906 5 E CA -0.905 55.493 56.400 -0.004 0.000 0.761 5 E CB 1.306 31.006 29.700 -0.000 0.000 1.116 5 E HN 0.248 nan 8.360 nan 0.000 0.408 6 L N 2.263 123.481 121.223 -0.008 0.000 2.334 6 L HA 0.287 4.627 4.340 -0.000 0.000 0.275 6 L C 0.740 177.607 176.870 -0.005 0.000 1.036 6 L CA -0.359 54.475 54.840 -0.011 0.000 0.807 6 L CB 1.485 43.532 42.059 -0.021 0.000 1.231 6 L HN 0.585 nan 8.230 nan 0.000 0.438 7 T N -0.436 114.115 114.554 -0.005 0.000 2.849 7 T HA 0.336 4.686 4.350 -0.000 0.000 0.284 7 T C -1.941 172.759 174.700 0.001 0.000 1.004 7 T CA -1.532 60.568 62.100 -0.001 0.000 1.021 7 T CB 0.994 69.861 68.868 -0.001 0.000 1.013 7 T HN 0.408 nan 8.240 nan 0.000 0.527 8 P HA -0.130 nan 4.420 nan 0.000 0.215 8 P C 1.754 179.058 177.300 0.007 0.000 1.157 8 P CA 1.873 64.979 63.100 0.011 0.000 0.874 8 P CB -0.349 31.358 31.700 0.013 0.000 0.790 9 A N -0.350 122.472 122.820 0.003 0.000 1.892 9 A HA -0.316 4.004 4.320 -0.000 0.000 0.218 9 A C 2.231 179.812 177.584 -0.005 0.000 1.188 9 A CA 2.047 54.084 52.037 0.001 0.000 0.631 9 A CB -1.465 17.534 19.000 -0.001 0.000 0.822 9 A HN 0.246 nan 8.150 nan 0.000 0.447 10 Q N -0.891 118.903 119.800 -0.009 0.000 2.124 10 Q HA -0.148 4.192 4.340 -0.000 0.000 0.202 10 Q C 2.366 178.349 176.000 -0.027 0.000 0.977 10 Q CA 1.335 57.128 55.803 -0.018 0.000 0.850 10 Q CB -0.214 28.513 28.738 -0.018 0.000 0.901 10 Q HN 0.607 nan 8.270 nan 0.000 0.429 11 R N -0.003 120.484 120.500 -0.022 0.000 2.091 11 R HA -0.099 4.241 4.340 -0.000 0.000 0.238 11 R C 2.284 178.567 176.300 -0.027 0.000 1.136 11 R CA 1.697 57.778 56.100 -0.031 0.000 0.959 11 R CB -0.465 29.831 30.300 -0.006 0.000 0.856 11 R HN 0.241 nan 8.270 nan 0.000 0.437 12 T N 0.844 115.397 114.554 -0.002 0.000 2.821 12 T HA -0.171 4.179 4.350 -0.000 0.000 0.267 12 T C 1.689 176.385 174.700 -0.006 0.000 1.046 12 T CA 1.455 63.562 62.100 0.012 0.000 1.139 12 T CB -0.097 68.782 68.868 0.018 0.000 0.871 12 T HN 0.462 nan 8.240 nan 0.000 0.454 13 E N 0.844 121.032 120.200 -0.019 0.000 2.077 13 E HA -0.123 4.227 4.350 -0.000 0.000 0.193 13 E C 2.068 178.641 176.600 -0.045 0.000 0.989 13 E CA 1.116 57.501 56.400 -0.025 0.000 0.800 13 E CB -0.111 29.575 29.700 -0.023 0.000 0.746 13 E HN 0.306 nan 8.360 nan 0.000 0.452 14 V N 1.295 121.166 119.914 -0.072 0.000 2.548 14 V HA -0.170 3.950 4.120 -0.000 0.000 0.249 14 V C 2.368 178.360 176.094 -0.171 0.000 1.055 14 V CA 1.955 64.185 62.300 -0.116 0.000 1.065 14 V CB -0.486 31.252 31.823 -0.142 0.000 0.681 14 V HN 0.345 nan 8.190 nan 0.000 0.462 15 E N -0.199 119.910 120.200 -0.151 0.000 2.204 15 E HA -0.201 4.149 4.350 -0.000 0.000 0.194 15 E C 2.074 178.671 176.600 -0.004 0.000 0.989 15 E CA 0.761 57.086 56.400 -0.125 0.000 0.824 15 E CB 0.053 29.783 29.700 0.051 0.000 0.756 15 E HN 0.397 nan 8.360 nan 0.000 0.477 16 L N 0.540 121.757 121.223 -0.010 0.000 2.131 16 L HA -0.047 4.293 4.340 -0.000 0.000 0.206 16 L C 2.087 178.950 176.870 -0.011 0.000 1.087 16 L CA 0.976 55.819 54.840 0.006 0.000 0.767 16 L CB -0.442 41.617 42.059 0.001 0.000 0.917 16 L HN 0.261 nan 8.230 nan 0.000 0.441 17 L N -0.672 120.528 121.223 -0.038 0.000 2.156 17 L HA 0.057 4.397 4.340 -0.000 0.000 0.208 17 L C 2.338 179.181 176.870 -0.045 0.000 1.095 17 L CA 1.788 56.606 54.840 -0.038 0.000 0.770 17 L CB -0.805 41.226 42.059 -0.047 0.000 0.914 17 L HN 0.174 nan 8.230 nan 0.000 0.439 18 A N -0.623 122.145 122.820 -0.088 0.000 2.014 18 A HA -0.082 4.238 4.320 -0.000 0.000 0.218 18 A C 2.299 179.873 177.584 -0.017 0.000 1.163 18 A CA 0.990 52.964 52.037 -0.106 0.000 0.652 18 A CB -0.412 18.376 19.000 -0.353 0.000 0.808 18 A HN 0.464 nan 8.150 nan 0.000 0.449 19 R N -1.254 119.264 120.500 0.031 0.000 2.313 19 R HA 0.148 4.488 4.340 -0.000 0.000 0.199 19 R C 1.218 177.522 176.300 0.006 0.000 0.958 19 R CA 0.533 56.656 56.100 0.039 0.000 1.047 19 R CB -0.082 30.257 30.300 0.065 0.000 0.955 19 R HN 0.655 nan 8.270 nan 0.000 0.481 20 G N 1.652 110.454 108.800 0.003 0.000 2.143 20 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.248 20 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.248 20 G C 0.832 175.735 174.900 0.005 0.000 0.991 20 G CA 0.591 45.694 45.100 0.005 0.000 0.689 20 G HN 0.264 nan 8.290 nan 0.000 0.522 21 R N 0.363 120.866 120.500 0.004 0.000 2.310 21 R HA 0.674 5.014 4.340 -0.000 0.000 0.202 21 R C 1.083 177.384 176.300 0.001 0.000 0.933 21 R CA 1.546 57.648 56.100 0.003 0.000 1.054 21 R CB -0.245 30.059 30.300 0.006 0.000 0.985 21 R HN 1.158 nan 8.270 nan 0.000 0.489 22 A N -1.299 121.521 122.820 -0.001 0.000 2.564 22 A HA 0.510 4.830 4.320 -0.000 0.000 0.288 22 A C -0.701 176.881 177.584 -0.003 0.000 1.164 22 A CA -0.434 51.601 52.037 -0.004 0.000 0.712 22 A CB 1.319 20.314 19.000 -0.008 0.000 1.303 22 A HN 0.108 nan 8.150 nan 0.000 0.418 23 D N -1.194 119.204 120.400 -0.004 0.000 2.489 23 D HA 0.278 4.918 4.640 -0.000 0.000 0.231 23 D C 0.061 176.358 176.300 -0.005 0.000 1.114 23 D CA 0.920 54.919 54.000 -0.002 0.000 0.842 23 D CB 0.323 41.123 40.800 0.001 0.000 1.133 23 D HN 0.391 nan 8.370 nan 0.000 0.506 24 K N -1.073 119.322 120.400 -0.008 0.000 2.399 24 K HA 0.704 5.024 4.320 -0.000 0.000 0.260 24 K C -1.368 175.223 176.600 -0.015 0.000 1.049 24 K CA -0.910 55.371 56.287 -0.010 0.000 0.890 24 K CB 2.262 34.758 32.500 -0.007 0.000 1.430 24 K HN -0.196 nan 8.250 nan 0.000 0.459 25 S N -0.325 115.365 115.700 -0.017 0.000 2.616 25 S HA 0.239 4.708 4.470 -0.000 0.000 0.276 25 S C -0.119 174.470 174.600 -0.019 0.000 1.159 25 S CA -0.683 57.504 58.200 -0.022 0.000 1.000 25 S CB 0.817 63.998 63.200 -0.032 0.000 1.117 25 S HN 0.681 nan 8.310 nan 0.000 0.464 26 R N 3.321 123.811 120.500 -0.016 0.000 2.091 26 R HA -0.059 4.280 4.340 -0.000 0.000 0.238 26 R C 1.591 177.881 176.300 -0.017 0.000 1.136 26 R CA 2.382 58.474 56.100 -0.014 0.000 0.959 26 R CB -0.556 29.737 30.300 -0.012 0.000 0.856 26 R HN 0.615 nan 8.270 nan 0.000 0.437 27 V N 1.110 121.011 119.914 -0.021 0.000 2.252 27 V HA -0.298 3.822 4.120 -0.000 0.000 0.249 27 V C 2.271 178.349 176.094 -0.025 0.000 1.056 27 V CA 1.786 64.071 62.300 -0.024 0.000 1.022 27 V CB -0.527 31.277 31.823 -0.032 0.000 0.641 27 V HN 0.268 nan 8.190 nan 0.000 0.445 28 L N -0.463 120.742 121.223 -0.029 0.000 2.042 28 L HA -0.158 4.181 4.340 -0.000 0.000 0.210 28 L C 2.543 179.401 176.870 -0.019 0.000 1.076 28 L CA 1.992 56.816 54.840 -0.028 0.000 0.749 28 L CB -0.983 41.058 42.059 -0.030 0.000 0.893 28 L HN 0.252 nan 8.230 nan 0.000 0.432 29 R N -0.253 120.237 120.500 -0.016 0.000 2.082 29 R HA -0.203 4.137 4.340 -0.000 0.000 0.234 29 R C 1.950 178.243 176.300 -0.011 0.000 1.136 29 R CA 2.013 58.105 56.100 -0.012 0.000 0.935 29 R CB -0.285 30.009 30.300 -0.010 0.000 0.842 29 R HN 0.308 nan 8.270 nan 0.000 0.430 30 D N 0.363 120.756 120.400 -0.012 0.000 2.149 30 D HA -0.158 4.482 4.640 -0.000 0.000 0.198 30 D C 1.618 177.911 176.300 -0.011 0.000 0.990 30 D CA 1.074 55.068 54.000 -0.010 0.000 0.839 30 D CB -0.046 40.747 40.800 -0.011 0.000 0.948 30 D HN 0.300 nan 8.370 nan 0.000 0.460 31 L N -0.206 121.009 121.223 -0.013 0.000 2.599 31 L HA 0.071 4.410 4.340 -0.000 0.000 0.230 31 L C 0.249 177.112 176.870 -0.011 0.000 1.141 31 L CA 0.171 55.003 54.840 -0.013 0.000 0.877 31 L CB -0.261 41.788 42.059 -0.018 0.000 1.009 31 L HN 0.013 nan 8.230 nan 0.000 0.447 32 K N 0.175 120.569 120.400 -0.010 0.000 3.125 32 K HA -0.168 4.152 4.320 -0.000 0.000 0.268 32 K C -0.513 176.082 176.600 -0.009 0.000 1.078 32 K CA 0.411 56.693 56.287 -0.008 0.000 0.775 32 K CB -1.881 30.615 32.500 -0.006 0.000 1.253 32 K HN 0.257 nan 8.250 nan 0.000 0.486 33 L N -0.183 121.034 121.223 -0.011 0.000 2.322 33 L HA 0.545 4.885 4.340 -0.000 0.000 0.269 33 L C -2.052 174.812 176.870 -0.010 0.000 1.012 33 L CA -2.648 52.185 54.840 -0.012 0.000 0.815 33 L CB 1.244 43.292 42.059 -0.017 0.000 1.295 33 L HN -0.208 nan 8.230 nan 0.000 0.438 34 P HA 0.046 nan 4.420 nan 0.000 0.268 34 P C -1.037 176.258 177.300 -0.007 0.000 1.205 34 P CA -0.122 62.976 63.100 -0.004 0.000 0.771 34 P CB 0.384 32.085 31.700 0.001 0.000 0.858 35 E N 1.434 121.631 120.200 -0.006 0.000 2.028 35 E HA 0.168 4.518 4.350 -0.000 0.000 0.275 35 E C -0.208 176.390 176.600 -0.004 0.000 1.171 35 E CA -0.152 56.243 56.400 -0.009 0.000 1.186 35 E CB -0.157 29.539 29.700 -0.008 0.000 1.256 35 E HN 0.459 nan 8.360 nan 0.000 0.474 36 T N -1.996 112.557 114.554 -0.002 0.000 2.900 36 T HA 0.301 4.650 4.350 -0.000 0.000 0.295 36 T C -2.375 172.330 174.700 0.009 0.000 1.044 36 T CA -2.379 59.727 62.100 0.009 0.000 0.995 36 T CB 2.025 70.904 68.868 0.018 0.000 1.072 36 T HN -0.181 nan 8.240 nan 0.000 0.473 37 P HA -0.064 nan 4.420 nan 0.000 0.219 37 P C 1.011 178.344 177.300 0.055 0.000 1.146 37 P CA 1.011 64.123 63.100 0.018 0.000 0.808 37 P CB 0.156 31.874 31.700 0.030 0.000 0.779 38 E N -0.631 119.614 120.200 0.075 0.000 2.112 38 E HA -0.038 4.312 4.350 -0.000 0.000 0.190 38 E C 2.136 178.770 176.600 0.058 0.000 0.979 38 E CA 1.233 57.695 56.400 0.104 0.000 0.814 38 E CB -1.054 28.699 29.700 0.089 0.000 0.762 38 E HN 0.121 nan 8.360 nan 0.000 0.460 39 A N 0.864 123.698 122.820 0.022 0.000 1.930 39 A HA 0.011 4.331 4.320 -0.000 0.000 0.217 39 A C 2.312 179.880 177.584 -0.027 0.000 1.175 39 A CA 1.565 53.599 52.037 -0.005 0.000 0.627 39 A CB -0.651 18.343 19.000 -0.009 0.000 0.815 39 A HN 0.268 nan 8.150 nan 0.000 0.443 40 A N -1.184 121.613 122.820 -0.039 0.000 1.930 40 A HA -0.170 4.150 4.320 -0.000 0.000 0.217 40 A C 2.020 179.516 177.584 -0.147 0.000 1.175 40 A CA 1.691 53.664 52.037 -0.107 0.000 0.627 40 A CB -0.923 17.998 19.000 -0.130 0.000 0.815 40 A HN 0.806 nan 8.150 nan 0.000 0.443 41 H N -0.635 118.313 119.070 -0.202 0.000 2.353 41 H HA -0.034 4.522 4.556 -0.000 0.000 0.300 41 H C 2.304 177.565 175.328 -0.111 0.000 1.090 41 H CA 1.020 56.950 56.048 -0.197 0.000 1.327 41 H CB 0.026 29.777 29.762 -0.019 0.000 1.383 41 H HN 0.466 nan 8.280 nan 0.000 0.508 42 A N 1.863 124.667 122.820 -0.028 0.000 1.877 42 A HA -0.141 4.179 4.320 -0.000 0.000 0.216 42 A C 2.454 180.005 177.584 -0.055 0.000 1.186 42 A CA 1.256 53.245 52.037 -0.080 0.000 0.620 42 A CB -0.793 18.169 19.000 -0.064 0.000 0.822 42 A HN 0.516 nan 8.150 nan 0.000 0.443 43 L N -0.107 121.076 121.223 -0.066 0.000 2.046 43 L HA -0.127 4.213 4.340 -0.000 0.000 0.208 43 L C 2.321 179.136 176.870 -0.091 0.000 1.077 43 L CA 1.904 56.701 54.840 -0.072 0.000 0.747 43 L CB -0.975 41.036 42.059 -0.080 0.000 0.896 43 L HN 0.457 nan 8.230 nan 0.000 0.432 44 L N -0.596 120.526 121.223 -0.168 0.000 2.017 44 L HA -0.281 4.058 4.340 -0.000 0.000 0.208 44 L C 2.728 179.578 176.870 -0.034 0.000 1.073 44 L CA 1.131 55.833 54.840 -0.230 0.000 0.745 44 L CB -0.511 41.136 42.059 -0.687 0.000 0.894 44 L HN 0.280 nan 8.230 nan 0.000 0.432 45 L N -0.486 120.764 121.223 0.045 0.000 1.970 45 L HA -0.259 4.081 4.340 -0.000 0.000 0.212 45 L C 2.864 179.767 176.870 0.054 0.000 1.071 45 L CA 1.490 56.397 54.840 0.111 0.000 0.751 45 L CB -0.556 41.553 42.059 0.083 0.000 0.889 45 L HN 0.269 nan 8.230 nan 0.000 0.432 46 R N 0.642 121.150 120.500 0.013 0.000 2.103 46 R HA -0.190 4.150 4.340 -0.000 0.000 0.242 46 R C 2.040 178.347 176.300 0.011 0.000 1.142 46 R CA 1.574 57.678 56.100 0.006 0.000 0.960 46 R CB -0.269 30.025 30.300 -0.011 0.000 0.858 46 R HN 0.342 nan 8.270 nan 0.000 0.439 47 L N -0.094 121.131 121.223 0.002 0.000 2.599 47 L HA 0.168 4.507 4.340 -0.000 0.000 0.230 47 L C 1.269 178.157 176.870 0.029 0.000 1.141 47 L CA 0.557 55.401 54.840 0.006 0.000 0.877 47 L CB 0.061 42.112 42.059 -0.014 0.000 1.009 47 L HN 0.719 nan 8.230 nan 0.000 0.447 48 G N -0.293 108.538 108.800 0.052 0.000 2.189 48 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.267 48 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.267 48 G C 0.864 175.832 174.900 0.114 0.000 0.975 48 G CA 0.585 45.734 45.100 0.081 0.000 0.644 48 G HN 0.193 nan 8.290 nan 0.000 0.537 49 V N -1.592 118.385 119.914 0.106 0.000 2.594 49 V HA 0.069 4.189 4.120 -0.000 0.000 0.253 49 V C 1.222 177.541 176.094 0.375 0.000 1.069 49 V CA 1.842 64.235 62.300 0.156 0.000 1.082 49 V CB -0.346 31.507 31.823 0.049 0.000 0.680 49 V HN 0.439 nan 8.190 nan 0.000 0.469 50 W N 0.284 121.611 121.300 0.045 0.000 2.844 50 W HA 0.544 5.203 4.660 -0.000 0.000 0.340 50 W C -0.456 176.107 176.519 0.073 0.000 1.093 50 W CA -2.018 55.361 57.345 0.056 0.000 1.212 50 W CB 1.117 30.622 29.460 0.076 0.000 1.422 50 W HN 0.166 nan 8.180 nan 0.000 0.515 51 D N -0.898 119.661 120.400 0.266 0.000 2.440 51 D HA 0.225 4.865 4.640 -0.000 0.000 0.258 51 D C 0.507 176.945 176.300 0.230 0.000 1.092 51 D CA -0.445 53.671 54.000 0.192 0.000 1.016 51 D CB 0.863 41.736 40.800 0.121 0.000 1.141 51 D HN 0.484 nan 8.370 nan 0.000 0.552 52 E N -0.582 119.740 120.200 0.202 0.000 2.478 52 E HA -0.021 4.329 4.350 -0.000 0.000 0.198 52 E C 1.407 178.201 176.600 0.322 0.000 1.046 52 E CA 0.581 57.130 56.400 0.249 0.000 0.870 52 E CB -0.118 29.679 29.700 0.161 0.000 0.818 52 E HN 0.542 nan 8.360 nan 0.000 0.527 53 A N 1.709 124.666 122.820 0.228 0.000 2.119 53 A HA -0.046 4.274 4.320 -0.000 0.000 0.216 53 A C 1.475 179.125 177.584 0.109 0.000 1.152 53 A CA 0.017 52.197 52.037 0.238 0.000 0.708 53 A CB -0.185 18.909 19.000 0.157 0.000 0.805 53 A HN 0.030 nan 8.150 nan 0.000 0.460 54 R N 0.974 121.464 120.500 -0.016 0.000 2.490 54 R HA 0.340 4.680 4.340 -0.000 0.000 0.280 54 R C -0.721 175.352 176.300 -0.378 0.000 1.077 54 R CA 0.836 56.776 56.100 -0.266 0.000 1.065 54 R CB 0.404 30.360 30.300 -0.573 0.000 1.003 54 R HN 0.285 nan 8.270 nan 0.000 0.470 55 T N 2.025 116.297 114.554 -0.470 0.000 2.881 55 T HA 0.374 4.724 4.350 -0.000 0.000 0.291 55 T C -2.035 172.360 174.700 -0.508 0.000 0.990 55 T CA -1.474 60.293 62.100 -0.554 0.000 0.976 55 T CB 2.016 70.656 68.868 -0.380 0.000 0.970 55 T HN 0.556 nan 8.240 nan 0.000 0.438 56 P HA 0.158 nan 4.420 nan 0.000 0.267 56 P C 0.445 177.488 177.300 -0.429 0.000 1.289 56 P CA -0.194 62.612 63.100 -0.489 0.000 0.866 56 P CB -0.053 31.431 31.700 -0.360 0.000 1.309 57 Y N 1.648 121.921 120.300 -0.044 0.000 2.128 57 Y HA -0.123 4.427 4.550 -0.000 0.000 0.284 57 Y C 2.874 178.765 175.900 -0.015 0.000 1.154 57 Y CA 1.489 59.583 58.100 -0.009 0.000 1.149 57 Y CB -1.854 36.608 38.460 0.003 0.000 0.976 57 Y HN -0.017 nan 8.280 nan 0.000 0.505 58 A N -0.197 122.671 122.820 0.080 0.000 1.933 58 A HA -0.205 4.114 4.320 -0.000 0.000 0.218 58 A C 2.091 179.674 177.584 -0.001 0.000 1.175 58 A CA 1.889 53.947 52.037 0.035 0.000 0.628 58 A CB -0.751 18.252 19.000 0.006 0.000 0.814 58 A HN 0.468 nan 8.150 nan 0.000 0.444 59 D N -0.623 119.756 120.400 -0.036 0.000 2.084 59 D HA -0.125 4.515 4.640 -0.000 0.000 0.196 59 D C 2.274 178.564 176.300 -0.017 0.000 0.985 59 D CA 1.140 55.116 54.000 -0.040 0.000 0.826 59 D CB -0.086 40.674 40.800 -0.066 0.000 0.978 59 D HN 0.418 nan 8.370 nan 0.000 0.456 60 R N 0.238 120.730 120.500 -0.013 0.000 2.091 60 R HA -0.054 4.286 4.340 -0.000 0.000 0.238 60 R C 2.464 178.781 176.300 0.029 0.000 1.136 60 R CA 0.659 56.766 56.100 0.013 0.000 0.959 60 R CB -0.287 30.031 30.300 0.030 0.000 0.856 60 R HN 0.235 nan 8.270 nan 0.000 0.437 61 L N 0.476 121.724 121.223 0.043 0.000 2.610 61 L HA 0.056 4.396 4.340 -0.000 0.000 0.232 61 L C 0.322 177.202 176.870 0.017 0.000 1.149 61 L CA 0.272 55.135 54.840 0.039 0.000 0.872 61 L CB -0.175 41.916 42.059 0.055 0.000 0.992 61 L HN 0.228 nan 8.230 nan 0.000 0.447 62 R N -0.350 120.154 120.500 0.007 0.000 3.422 62 R HA -0.158 4.182 4.340 -0.000 0.000 0.267 62 R C 0.068 176.360 176.300 -0.013 0.000 1.074 62 R CA 0.389 56.485 56.100 -0.006 0.000 0.718 62 R CB -1.846 28.450 30.300 -0.007 0.000 1.157 62 R HN 0.343 nan 8.270 nan 0.000 0.440 63 A N 0.665 123.479 122.820 -0.011 0.000 2.290 63 A HA 0.729 5.049 4.320 -0.000 0.000 0.310 63 A C 0.665 178.231 177.584 -0.030 0.000 1.202 63 A CA 0.127 52.153 52.037 -0.019 0.000 0.837 63 A CB 0.912 19.907 19.000 -0.009 0.000 1.139 63 A HN 0.469 nan 8.150 nan 0.000 0.509 64 A N 1.976 124.772 122.820 -0.040 0.000 2.567 64 A HA 0.351 4.671 4.320 -0.000 0.000 0.240 64 A C 0.541 178.096 177.584 -0.049 0.000 1.053 64 A CA 0.259 52.268 52.037 -0.046 0.000 0.755 64 A CB -0.219 18.749 19.000 -0.053 0.000 0.978 64 A HN 0.985 nan 8.150 nan 0.000 0.507 65 L N 1.795 122.989 121.223 -0.048 0.000 2.906 65 L HA 0.148 4.487 4.340 -0.000 0.000 0.255 65 L C 0.493 177.332 176.870 -0.051 0.000 1.166 65 L CA -0.060 54.748 54.840 -0.052 0.000 0.977 65 L CB -0.256 41.770 42.059 -0.055 0.000 1.313 65 L HN 0.956 nan 8.230 nan 0.000 0.549 66 N N -0.243 118.428 118.700 -0.048 0.000 2.405 66 N HA 0.605 5.345 4.740 -0.000 0.000 0.299 66 N C -0.246 175.236 175.510 -0.046 0.000 1.075 66 N CA -0.680 52.344 53.050 -0.044 0.000 0.884 66 N CB 1.742 40.206 38.487 -0.039 0.000 1.194 66 N HN -0.059 nan 8.380 nan 0.000 0.491 67 A N 1.658 124.453 122.820 -0.043 0.000 2.440 67 A HA 0.229 4.549 4.320 -0.000 0.000 0.251 67 A C 0.338 177.899 177.584 -0.038 0.000 1.089 67 A CA -0.663 51.349 52.037 -0.042 0.000 0.779 67 A CB 0.184 19.163 19.000 -0.035 0.000 1.022 67 A HN 0.589 nan 8.150 nan 0.000 0.492 68 V N 3.212 123.103 119.914 -0.039 0.000 2.493 68 V HA 0.002 4.122 4.120 -0.000 0.000 0.292 68 V C 0.607 176.683 176.094 -0.030 0.000 1.016 68 V CA 0.752 63.031 62.300 -0.036 0.000 1.097 68 V CB 0.031 31.832 31.823 -0.036 0.000 0.947 68 V HN 0.901 nan 8.190 nan 0.000 0.479 69 E N 5.355 125.538 120.200 -0.029 0.000 2.490 69 E HA 0.379 4.729 4.350 -0.000 0.000 0.232 69 E C -1.149 175.436 176.600 -0.025 0.000 1.091 69 E CA -0.499 55.886 56.400 -0.025 0.000 1.050 69 E CB 0.752 30.438 29.700 -0.023 0.000 1.342 69 E HN 0.357 nan 8.360 nan 0.000 0.454 70 L N 2.483 123.691 121.223 -0.026 0.000 2.354 70 L HA 0.451 4.791 4.340 -0.000 0.000 0.269 70 L C -2.236 174.618 176.870 -0.027 0.000 1.005 70 L CA -2.530 52.294 54.840 -0.026 0.000 0.819 70 L CB 1.237 43.279 42.059 -0.028 0.000 1.311 70 L HN 0.156 nan 8.230 nan 0.000 0.423 71 P HA 0.177 nan 4.420 nan 0.000 0.271 71 P C -0.986 176.291 177.300 -0.040 0.000 1.216 71 P CA -0.165 62.917 63.100 -0.030 0.000 0.776 71 P CB 1.198 32.881 31.700 -0.028 0.000 0.881 72 V N 5.445 125.330 119.914 -0.047 0.000 2.459 72 V HA 0.331 4.451 4.120 -0.000 0.000 0.295 72 V C -1.502 174.539 176.094 -0.090 0.000 1.029 72 V CA -1.667 60.591 62.300 -0.070 0.000 0.874 72 V CB 1.266 33.047 31.823 -0.071 0.000 0.985 72 V HN 0.644 nan 8.190 nan 0.000 0.438 73 P HA 0.326 nan 4.420 nan 0.000 0.276 73 P C -1.028 176.160 177.300 -0.187 0.000 1.261 73 P CA -0.465 62.562 63.100 -0.122 0.000 0.800 73 P CB 0.992 32.626 31.700 -0.111 0.000 1.066 74 D N -0.055 120.259 120.400 -0.144 0.000 2.340 74 D HA 0.274 4.914 4.640 -0.000 0.000 0.251 74 D C 0.157 176.352 176.300 -0.176 0.000 1.080 74 D CA -0.075 53.837 54.000 -0.146 0.000 0.971 74 D CB 0.291 41.068 40.800 -0.038 0.000 1.137 74 D HN 0.191 nan 8.370 nan 0.000 0.475 75 F N 0.665 120.598 119.950 -0.029 0.000 2.518 75 F HA 0.014 4.540 4.527 -0.000 0.000 0.359 75 F C 1.348 177.130 175.800 -0.029 0.000 1.118 75 F CA -0.213 57.770 58.000 -0.028 0.000 1.287 75 F CB 0.292 39.270 39.000 -0.037 0.000 1.132 75 F HN 0.071 nan 8.300 nan 0.000 0.587 76 D N 5.263 125.754 120.400 0.152 0.000 2.358 76 D HA 0.059 4.699 4.640 -0.000 0.000 0.258 76 D C -1.378 174.965 176.300 0.072 0.000 1.223 76 D CA -1.919 52.127 54.000 0.077 0.000 0.886 76 D CB 1.001 41.832 40.800 0.051 0.000 1.120 76 D HN 0.197 nan 8.370 nan 0.000 0.482 77 P HA -0.013 nan 4.420 nan 0.000 0.229 77 P C 0.663 177.966 177.300 0.005 0.000 1.160 77 P CA 0.355 63.467 63.100 0.020 0.000 0.777 77 P CB 0.313 32.019 31.700 0.010 0.000 0.814 78 A N 0.004 122.829 122.820 0.008 0.000 2.218 78 A HA 0.016 4.336 4.320 -0.000 0.000 0.209 78 A C 1.197 178.782 177.584 0.001 0.000 1.168 78 A CA -0.109 51.929 52.037 0.001 0.000 0.804 78 A CB -0.821 18.179 19.000 0.001 0.000 0.834 78 A HN 0.234 nan 8.150 nan 0.000 0.482 79 E N 1.293 121.498 120.200 0.008 0.000 2.376 79 E HA 0.067 4.416 4.350 -0.000 0.000 0.266 79 E C -0.465 176.131 176.600 -0.007 0.000 1.009 79 E CA -0.298 56.106 56.400 0.007 0.000 0.902 79 E CB 0.401 30.116 29.700 0.024 0.000 0.972 79 E HN 0.216 nan 8.360 nan 0.000 0.439 80 E N 3.997 124.192 120.200 -0.008 0.000 2.257 80 E HA 0.143 4.493 4.350 -0.000 0.000 0.278 80 E C -0.648 175.941 176.600 -0.020 0.000 1.049 80 E CA 0.180 56.572 56.400 -0.014 0.000 0.876 80 E CB 0.701 30.396 29.700 -0.009 0.000 1.035 80 E HN 0.445 nan 8.360 nan 0.000 0.419 81 R N 2.160 122.641 120.500 -0.033 0.000 2.725 81 R HA 0.395 4.734 4.340 -0.000 0.000 0.277 81 R C -0.630 175.640 176.300 -0.050 0.000 0.987 81 R CA -1.199 54.873 56.100 -0.047 0.000 0.901 81 R CB 1.309 31.561 30.300 -0.079 0.000 1.207 81 R HN 0.227 nan 8.270 nan 0.000 0.463 82 L N 2.009 123.203 121.223 -0.049 0.000 2.367 82 L HA 0.157 4.497 4.340 -0.000 0.000 0.275 82 L C -0.119 176.691 176.870 -0.100 0.000 1.129 82 L CA 0.376 55.188 54.840 -0.046 0.000 0.839 82 L CB 0.654 42.703 42.059 -0.015 0.000 1.133 82 L HN 0.558 nan 8.230 nan 0.000 0.453 83 D N 5.590 125.946 120.400 -0.073 0.000 2.317 83 D HA 0.161 4.801 4.640 -0.000 0.000 0.252 83 D C -0.164 176.064 176.300 -0.119 0.000 1.174 83 D CA -0.103 53.839 54.000 -0.097 0.000 0.866 83 D CB 0.710 41.485 40.800 -0.041 0.000 1.127 83 D HN 0.677 nan 8.370 nan 0.000 0.467 84 L N 3.788 124.831 121.223 -0.300 0.000 3.288 84 L HA 0.079 4.419 4.340 -0.000 0.000 0.293 84 L C 1.812 178.320 176.870 -0.604 0.000 1.294 84 L CA -0.220 54.291 54.840 -0.549 0.000 1.006 84 L CB 0.650 42.289 42.059 -0.700 0.000 1.407 84 L HN 0.348 nan 8.230 nan 0.000 0.592 85 T N -0.713 113.619 114.554 -0.370 0.000 3.118 85 T HA -0.086 4.264 4.350 -0.000 0.000 0.260 85 T C 1.751 176.305 174.700 -0.244 0.000 1.139 85 T CA 0.993 62.922 62.100 -0.286 0.000 1.085 85 T CB -0.181 68.587 68.868 -0.166 0.000 0.934 85 T HN 0.560 nan 8.240 nan 0.000 0.518 86 H N -0.543 118.443 119.070 -0.140 0.000 2.563 86 H HA 0.282 4.838 4.556 -0.000 0.000 0.264 86 H C 0.530 175.799 175.328 -0.098 0.000 0.957 86 H CA -0.208 55.780 56.048 -0.100 0.000 1.173 86 H CB -0.244 29.474 29.762 -0.072 0.000 1.420 86 H HN 0.332 nan 8.280 nan 0.000 0.551 87 L N 2.860 123.720 121.223 -0.605 0.000 2.326 87 L HA 0.318 4.658 4.340 -0.000 0.000 0.278 87 L C -2.273 174.445 176.870 -0.253 0.000 1.092 87 L CA -2.127 52.503 54.840 -0.350 0.000 0.810 87 L CB 1.229 43.027 42.059 -0.435 0.000 1.153 87 L HN -0.074 nan 8.230 nan 0.000 0.439 88 P HA 0.104 nan 4.420 nan 0.000 0.266 88 P C -1.000 176.127 177.300 -0.288 0.000 1.215 88 P CA 0.151 63.132 63.100 -0.198 0.000 0.763 88 P CB 0.679 32.380 31.700 0.003 0.000 0.806 89 T N 3.716 117.932 114.554 -0.563 0.000 2.886 89 T HA 0.614 4.964 4.350 -0.000 0.000 0.292 89 T C -0.843 173.408 174.700 -0.748 0.000 1.012 89 T CA -0.231 61.609 62.100 -0.432 0.000 0.982 89 T CB 0.664 69.364 68.868 -0.281 0.000 1.018 89 T HN 0.016 nan 8.240 nan 0.000 0.451 90 F N 1.261 121.217 119.950 0.011 0.000 2.529 90 F HA 0.655 5.182 4.527 -0.000 0.000 0.320 90 F C 0.211 176.047 175.800 0.060 0.000 1.118 90 F CA -1.110 56.917 58.000 0.045 0.000 0.915 90 F CB 1.640 40.693 39.000 0.089 0.000 1.161 90 F HN 0.665 nan 8.300 nan 0.000 0.445 91 A N 5.442 128.372 122.820 0.183 0.000 2.341 91 A HA 0.715 5.035 4.320 -0.000 0.000 0.326 91 A C -0.511 177.130 177.584 0.095 0.000 1.402 91 A CA -0.409 51.696 52.037 0.113 0.000 0.957 91 A CB -0.371 18.662 19.000 0.054 0.000 1.151 91 A HN 0.726 nan 8.150 nan 0.000 0.533 92 I N 2.590 123.203 120.570 0.072 0.000 2.336 92 I HA 0.381 4.551 4.170 -0.000 0.000 0.292 92 I C -0.231 175.661 176.117 -0.375 0.000 0.991 92 I CA -0.291 60.953 61.300 -0.093 0.000 1.227 92 I CB 1.387 39.406 38.000 0.032 0.000 1.366 92 I HN 0.597 nan 8.210 nan 0.000 0.466 93 D N 3.683 123.706 120.400 -0.627 0.000 2.867 93 D HA 0.320 4.960 4.640 -0.000 0.000 0.308 93 D C -1.113 174.724 176.300 -0.770 0.000 1.202 93 D CA -0.440 53.166 54.000 -0.656 0.000 1.035 93 D CB 2.095 42.770 40.800 -0.207 0.000 1.427 93 D HN 0.334 nan 8.370 nan 0.000 0.570 94 D N 0.510 120.798 120.400 -0.186 0.000 2.423 94 D HA 0.230 4.870 4.640 -0.000 0.000 0.255 94 D C -0.347 175.948 176.300 -0.008 0.000 1.174 94 D CA 0.035 54.063 54.000 0.046 0.000 1.008 94 D CB 0.699 41.573 40.800 0.123 0.000 1.101 94 D HN 0.182 nan 8.370 nan 0.000 0.516 95 E N -1.035 119.197 120.200 0.052 0.000 2.331 95 E HA 0.412 4.762 4.350 -0.000 0.000 0.272 95 E C 0.838 177.470 176.600 0.054 0.000 1.036 95 E CA 0.082 56.511 56.400 0.047 0.000 0.864 95 E CB 1.063 30.811 29.700 0.081 0.000 1.035 95 E HN 0.605 nan 8.360 nan 0.000 0.408 96 G N 3.271 112.093 108.800 0.038 0.000 2.336 96 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.233 96 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.233 96 G C 0.201 175.121 174.900 0.033 0.000 1.053 96 G CA 0.165 45.291 45.100 0.043 0.000 0.625 96 G HN 0.710 nan 8.290 nan 0.000 0.511 97 N N 1.572 120.284 118.700 0.021 0.000 2.454 97 N HA 0.212 4.952 4.740 -0.000 0.000 0.254 97 N C 0.606 176.133 175.510 0.028 0.000 1.228 97 N CA 1.034 54.098 53.050 0.024 0.000 0.900 97 N CB 0.570 39.054 38.487 -0.005 0.000 1.089 97 N HN 0.810 nan 8.380 nan 0.000 0.449 98 Q N -0.348 119.482 119.800 0.051 0.000 2.144 98 Q HA 0.132 4.472 4.340 -0.000 0.000 0.305 98 Q C -1.308 174.723 176.000 0.052 0.000 0.876 98 Q CA -0.604 55.221 55.803 0.038 0.000 1.130 98 Q CB -0.117 28.640 28.738 0.031 0.000 1.267 98 Q HN 0.698 nan 8.270 nan 0.000 0.433 99 D N 0.401 120.843 120.400 0.070 0.000 2.613 99 D HA 0.195 4.835 4.640 -0.000 0.000 0.312 99 D C -2.465 173.879 176.300 0.074 0.000 1.202 99 D CA -1.339 52.713 54.000 0.086 0.000 0.825 99 D CB 0.829 41.714 40.800 0.142 0.000 1.113 99 D HN 0.101 nan 8.370 nan 0.000 0.502 100 P HA 0.101 nan 4.420 nan 0.000 0.260 100 P C 0.013 177.353 177.300 0.066 0.000 1.207 100 P CA 0.068 63.196 63.100 0.046 0.000 0.780 100 P CB 1.608 33.324 31.700 0.027 0.000 0.789 101 D N 1.650 122.095 120.400 0.075 0.000 2.366 101 D HA 0.016 4.656 4.640 -0.000 0.000 0.205 101 D C 0.180 176.541 176.300 0.101 0.000 1.022 101 D CA 0.743 54.797 54.000 0.089 0.000 0.868 101 D CB 0.661 41.512 40.800 0.086 0.000 0.953 101 D HN 0.581 nan 8.370 nan 0.000 0.514 102 D N -1.272 119.186 120.400 0.096 0.000 2.615 102 D HA 0.625 5.264 4.640 -0.000 0.000 0.267 102 D C -1.304 175.066 176.300 0.116 0.000 1.236 102 D CA -1.010 53.059 54.000 0.115 0.000 0.839 102 D CB 1.592 42.464 40.800 0.119 0.000 1.380 102 D HN -0.066 nan 8.370 nan 0.000 0.433 103 A N -0.212 122.698 122.820 0.151 0.000 2.547 103 A HA 0.701 5.020 4.320 -0.000 0.000 0.297 103 A C -0.947 176.756 177.584 0.198 0.000 1.056 103 A CA -0.524 51.614 52.037 0.169 0.000 0.688 103 A CB 1.434 20.518 19.000 0.141 0.000 1.282 103 A HN 1.210 nan 8.150 nan 0.000 0.400 104 V N -0.806 119.222 119.914 0.190 0.000 3.019 104 V HA 1.068 5.188 4.120 -0.000 0.000 0.317 104 V C 0.260 176.464 176.094 0.184 0.000 1.094 104 V CA -0.055 62.340 62.300 0.158 0.000 1.000 104 V CB 1.387 33.296 31.823 0.144 0.000 1.060 104 V HN 2.146 nan 8.190 nan 0.000 0.443 105 G N 0.099 109.008 108.800 0.182 0.000 2.576 105 G HA2 0.741 4.701 3.960 -0.000 0.000 0.290 105 G HA3 0.741 4.701 3.960 -0.000 0.000 0.290 105 G C -1.305 173.737 174.900 0.236 0.000 1.442 105 G CA 0.001 45.221 45.100 0.200 0.000 0.792 105 G HN 2.036 nan 8.290 nan 0.000 0.491 106 V N -2.746 117.294 119.914 0.209 0.000 2.932 106 V HA 0.881 5.001 4.120 -0.000 0.000 0.307 106 V C -1.048 175.159 176.094 0.189 0.000 1.147 106 V CA -1.059 61.347 62.300 0.176 0.000 0.951 106 V CB 1.884 33.751 31.823 0.074 0.000 1.031 106 V HN 0.831 nan 8.190 nan 0.000 0.426 107 E N 1.823 122.125 120.200 0.170 0.000 2.222 107 E HA 0.406 4.756 4.350 -0.000 0.000 0.267 107 E C -1.646 175.003 176.600 0.081 0.000 0.884 107 E CA -0.719 55.775 56.400 0.158 0.000 0.764 107 E CB 2.341 32.184 29.700 0.239 0.000 1.169 107 E HN 0.890 nan 8.360 nan 0.000 0.413 108 D N 3.326 123.770 120.400 0.073 0.000 2.316 108 D HA 0.112 4.752 4.640 -0.000 0.000 0.245 108 D C 0.369 176.696 176.300 0.046 0.000 1.171 108 D CA 0.022 54.051 54.000 0.047 0.000 0.856 108 D CB 0.936 41.761 40.800 0.043 0.000 1.090 108 D HN 0.438 nan 8.370 nan 0.000 0.476 109 L N 2.786 124.027 121.223 0.030 0.000 2.554 109 L HA 0.328 4.668 4.340 -0.000 0.000 0.225 109 L C 1.243 178.126 176.870 0.023 0.000 1.104 109 L CA 0.232 55.089 54.840 0.028 0.000 0.866 109 L CB -0.266 41.802 42.059 0.014 0.000 1.047 109 L HN 0.657 nan 8.230 nan 0.000 0.468 110 G N -0.899 107.913 108.800 0.020 0.000 2.650 110 G HA2 0.166 4.126 3.960 -0.000 0.000 0.686 110 G HA3 0.166 4.126 3.960 -0.000 0.000 0.686 110 G C 0.458 175.365 174.900 0.013 0.000 1.205 110 G CA -0.510 44.600 45.100 0.017 0.000 0.781 110 G HN 0.440 nan 8.290 nan 0.000 0.648 111 G N -0.674 108.133 108.800 0.012 0.000 2.179 111 G HA2 0.362 4.322 3.960 -0.000 0.000 0.257 111 G HA3 0.362 4.322 3.960 -0.000 0.000 0.257 111 G C 2.052 176.957 174.900 0.008 0.000 1.010 111 G CA 1.119 46.225 45.100 0.009 0.000 0.736 111 G HN 3.146 nan 8.290 nan 0.000 0.513 112 G N -1.607 107.198 108.800 0.009 0.000 2.184 112 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.264 112 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.264 112 G C 0.458 175.360 174.900 0.004 0.000 0.975 112 G CA 0.566 45.670 45.100 0.007 0.000 0.642 112 G HN 1.430 nan 8.290 nan 0.000 0.536 113 L N 2.326 123.552 121.223 0.004 0.000 2.313 113 L HA 0.543 4.883 4.340 -0.000 0.000 0.282 113 L C 0.814 177.682 176.870 -0.003 0.000 1.092 113 L CA 0.479 55.318 54.840 -0.001 0.000 0.831 113 L CB 0.998 43.056 42.059 -0.001 0.000 1.159 113 L HN 0.377 nan 8.230 nan 0.000 0.442 114 T N 1.848 116.395 114.554 -0.012 0.000 2.824 114 T HA 0.393 4.743 4.350 -0.000 0.000 0.282 114 T C -0.337 174.332 174.700 -0.052 0.000 0.993 114 T CA -0.923 61.167 62.100 -0.016 0.000 0.967 114 T CB 1.750 70.615 68.868 -0.006 0.000 0.960 114 T HN 0.629 nan 8.240 nan 0.000 0.441 115 R N 3.037 123.490 120.500 -0.078 0.000 2.202 115 R HA 0.516 4.856 4.340 -0.000 0.000 0.334 115 R C -0.723 175.431 176.300 -0.243 0.000 1.036 115 R CA -0.897 55.081 56.100 -0.203 0.000 0.878 115 R CB 0.417 30.558 30.300 -0.266 0.000 1.067 115 R HN 0.659 nan 8.270 nan 0.000 0.457 116 L N 5.882 126.955 121.223 -0.250 0.000 2.305 116 L HA 0.419 4.758 4.340 -0.000 0.000 0.281 116 L C -1.549 175.141 176.870 -0.300 0.000 1.085 116 L CA -0.085 54.655 54.840 -0.167 0.000 0.813 116 L CB 0.629 42.642 42.059 -0.076 0.000 1.157 116 L HN 0.623 nan 8.230 nan 0.000 0.436 117 W N 4.959 126.199 121.300 -0.100 0.000 2.475 117 W HA 0.674 5.334 4.660 -0.000 0.000 0.317 117 W C -0.974 175.336 176.519 -0.349 0.000 1.046 117 W CA -0.798 56.395 57.345 -0.253 0.000 1.215 117 W CB 2.029 31.339 29.460 -0.250 0.000 1.335 117 W HN 0.243 nan 8.180 nan 0.000 0.471 118 V N 4.945 124.788 119.914 -0.118 0.000 2.447 118 V HA 0.274 4.394 4.120 -0.000 0.000 0.292 118 V C -0.285 175.698 176.094 -0.185 0.000 1.021 118 V CA -0.979 61.256 62.300 -0.109 0.000 0.850 118 V CB 0.780 32.607 31.823 0.007 0.000 1.005 118 V HN 0.445 nan 8.190 nan 0.000 0.426 119 H N 3.142 122.284 119.070 0.120 0.000 2.463 119 H HA 0.780 5.336 4.556 -0.000 0.000 0.332 119 H C -0.644 174.723 175.328 0.066 0.000 1.127 119 H CA -0.480 55.605 56.048 0.061 0.000 1.238 119 H CB 2.517 32.269 29.762 -0.017 0.000 1.478 119 H HN 0.407 nan 8.280 nan 0.000 0.499 120 V N 0.707 120.730 119.914 0.182 0.000 3.040 120 V HA 0.456 4.576 4.120 -0.000 0.000 0.312 120 V C 0.311 176.504 176.094 0.166 0.000 1.115 120 V CA -1.279 61.133 62.300 0.186 0.000 0.998 120 V CB 1.874 33.863 31.823 0.276 0.000 1.042 120 V HN 0.977 nan 8.190 nan 0.000 0.433 121 A N 0.786 123.710 122.820 0.173 0.000 2.546 121 A HA 0.190 4.510 4.320 -0.000 0.000 0.243 121 A C 0.420 178.134 177.584 0.217 0.000 1.063 121 A CA 0.205 52.339 52.037 0.161 0.000 0.757 121 A CB -0.256 18.839 19.000 0.159 0.000 0.991 121 A HN 0.898 nan 8.150 nan 0.000 0.503 122 D N 2.798 123.308 120.400 0.183 0.000 3.032 122 D HA 0.217 4.857 4.640 -0.000 0.000 0.241 122 D C 1.243 177.738 176.300 0.326 0.000 1.196 122 D CA 0.077 54.201 54.000 0.206 0.000 0.927 122 D CB -0.329 40.551 40.800 0.134 0.000 1.129 122 D HN 0.174 nan 8.370 nan 0.000 0.458 123 V N 1.146 121.231 119.914 0.285 0.000 2.324 123 V HA -0.309 3.810 4.120 -0.000 0.000 0.250 123 V C 2.543 178.717 176.094 0.133 0.000 1.060 123 V CA 1.984 64.397 62.300 0.188 0.000 1.042 123 V CB -0.773 31.132 31.823 0.137 0.000 0.650 123 V HN 0.520 nan 8.190 nan 0.000 0.450 124 A N -0.115 122.807 122.820 0.170 0.000 2.131 124 A HA -0.067 4.253 4.320 -0.000 0.000 0.220 124 A C 2.297 179.926 177.584 0.074 0.000 1.158 124 A CA 1.787 53.890 52.037 0.110 0.000 0.665 124 A CB -0.576 18.504 19.000 0.134 0.000 0.795 124 A HN 0.623 nan 8.150 nan 0.000 0.460 125 A N -0.911 121.972 122.820 0.105 0.000 2.119 125 A HA 0.261 4.581 4.320 -0.000 0.000 0.217 125 A C 1.718 179.271 177.584 -0.050 0.000 1.153 125 A CA 1.127 53.217 52.037 0.089 0.000 0.692 125 A CB -0.264 18.903 19.000 0.278 0.000 0.799 125 A HN 0.494 nan 8.150 nan 0.000 0.458 126 L N -1.377 119.782 121.223 -0.106 0.000 2.817 126 L HA 0.235 4.575 4.340 -0.000 0.000 0.248 126 L C -0.571 176.246 176.870 -0.088 0.000 1.133 126 L CA -0.006 54.722 54.840 -0.188 0.000 0.935 126 L CB 0.991 42.854 42.059 -0.328 0.000 1.266 126 L HN 0.010 nan 8.230 nan 0.000 0.535 127 V N 1.060 120.955 119.914 -0.032 0.000 2.380 127 V HA 0.509 4.629 4.120 -0.000 0.000 0.268 127 V C 0.348 176.450 176.094 0.013 0.000 1.008 127 V CA -0.688 61.608 62.300 -0.006 0.000 0.823 127 V CB 1.204 33.033 31.823 0.011 0.000 1.053 127 V HN 0.187 nan 8.190 nan 0.000 0.446 128 A N 6.817 129.643 122.820 0.010 0.000 2.351 128 A HA 0.739 5.059 4.320 -0.000 0.000 0.257 128 A C -2.197 175.409 177.584 0.036 0.000 1.087 128 A CA -1.302 50.749 52.037 0.023 0.000 0.798 128 A CB 0.150 19.160 19.000 0.016 0.000 1.033 128 A HN 0.528 nan 8.150 nan 0.000 0.488 129 P HA 0.116 nan 4.420 nan 0.000 0.268 129 P C -0.279 177.061 177.300 0.067 0.000 1.204 129 P CA 0.916 64.064 63.100 0.079 0.000 0.768 129 P CB 0.885 32.650 31.700 0.109 0.000 0.842 130 D N 0.103 120.535 120.400 0.053 0.000 2.954 130 D HA -0.134 4.506 4.640 -0.000 0.000 0.200 130 D C -0.223 176.083 176.300 0.010 0.000 1.022 130 D CA 1.353 55.370 54.000 0.028 0.000 1.003 130 D CB -1.512 39.316 40.800 0.047 0.000 1.073 130 D HN 0.459 nan 8.370 nan 0.000 0.438 131 S N -1.474 114.232 115.700 0.011 0.000 2.669 131 S HA 0.607 5.077 4.470 -0.000 0.000 0.270 131 S C -1.603 172.990 174.600 -0.011 0.000 1.225 131 S CA -0.753 57.447 58.200 -0.000 0.000 0.991 131 S CB 1.502 64.702 63.200 0.000 0.000 0.987 131 S HN -0.118 nan 8.310 nan 0.000 0.552 132 P HA -0.063 nan 4.420 nan 0.000 0.216 132 P C 1.457 178.742 177.300 -0.025 0.000 1.150 132 P CA 0.557 63.642 63.100 -0.024 0.000 0.837 132 P CB -0.012 31.673 31.700 -0.024 0.000 0.786 133 L N -0.093 121.119 121.223 -0.017 0.000 1.994 133 L HA -0.192 4.148 4.340 -0.000 0.000 0.208 133 L C 2.095 178.971 176.870 0.010 0.000 1.071 133 L CA 1.978 56.812 54.840 -0.009 0.000 0.745 133 L CB -1.761 40.292 42.059 -0.009 0.000 0.892 133 L HN -0.028 nan 8.230 nan 0.000 0.431 134 D N -0.872 119.545 120.400 0.028 0.000 2.092 134 D HA -0.207 4.433 4.640 -0.000 0.000 0.193 134 D C 2.343 178.648 176.300 0.008 0.000 0.994 134 D CA 1.361 55.409 54.000 0.080 0.000 0.828 134 D CB -0.080 40.763 40.800 0.071 0.000 0.963 134 D HN 0.268 nan 8.370 nan 0.000 0.450 135 L N -0.026 121.166 121.223 -0.053 0.000 2.042 135 L HA -0.161 4.178 4.340 -0.000 0.000 0.210 135 L C 2.496 179.280 176.870 -0.144 0.000 1.076 135 L CA 1.288 56.057 54.840 -0.118 0.000 0.749 135 L CB -0.553 41.455 42.059 -0.085 0.000 0.893 135 L HN 0.111 nan 8.230 nan 0.000 0.432 136 E N 0.575 120.717 120.200 -0.097 0.000 2.106 136 E HA -0.163 4.187 4.350 -0.000 0.000 0.192 136 E C 2.108 178.631 176.600 -0.129 0.000 0.984 136 E CA 1.453 57.794 56.400 -0.098 0.000 0.806 136 E CB -0.109 29.553 29.700 -0.062 0.000 0.750 136 E HN 0.356 nan 8.360 nan 0.000 0.458 137 A N 0.566 123.324 122.820 -0.104 0.000 1.969 137 A HA -0.125 4.195 4.320 -0.000 0.000 0.218 137 A C 2.275 179.603 177.584 -0.426 0.000 1.169 137 A CA 1.509 53.493 52.037 -0.089 0.000 0.635 137 A CB -0.473 18.617 19.000 0.150 0.000 0.810 137 A HN 0.208 nan 8.150 nan 0.000 0.445 138 R N -0.553 119.511 120.500 -0.725 0.000 2.090 138 R HA -0.007 4.333 4.340 -0.000 0.000 0.228 138 R C 2.267 178.250 176.300 -0.528 0.000 1.110 138 R CA 1.105 56.527 56.100 -1.130 0.000 0.973 138 R CB -0.305 29.470 30.300 -0.875 0.000 0.869 138 R HN 0.443 nan 8.270 nan 0.000 0.440 139 A N 0.922 123.547 122.820 -0.326 0.000 1.972 139 A HA -0.142 4.178 4.320 -0.000 0.000 0.219 139 A C 1.944 179.430 177.584 -0.164 0.000 1.169 139 A CA 1.197 53.114 52.037 -0.200 0.000 0.635 139 A CB -0.225 18.689 19.000 -0.143 0.000 0.810 139 A HN 0.326 nan 8.150 nan 0.000 0.446 140 R N -2.291 118.106 120.500 -0.171 0.000 2.206 140 R HA 0.227 4.567 4.340 -0.000 0.000 0.198 140 R C 1.759 177.995 176.300 -0.107 0.000 0.986 140 R CA 0.618 56.648 56.100 -0.116 0.000 1.029 140 R CB -0.119 30.125 30.300 -0.093 0.000 0.966 140 R HN 0.603 nan 8.270 nan 0.000 0.487 141 G N 1.027 109.730 108.800 -0.162 0.000 2.412 141 G HA2 -0.369 3.591 3.960 -0.000 0.000 0.252 141 G HA3 -0.369 3.591 3.960 -0.000 0.000 0.252 141 G C 0.220 175.126 174.900 0.011 0.000 1.038 141 G CA 0.463 45.508 45.100 -0.092 0.000 0.628 141 G HN 0.744 nan 8.290 nan 0.000 0.531 142 A N -2.325 120.491 122.820 -0.006 0.000 2.567 142 A HA 0.710 5.030 4.320 -0.000 0.000 0.291 142 A C -0.247 177.316 177.584 -0.034 0.000 1.048 142 A CA 0.667 52.714 52.037 0.016 0.000 0.661 142 A CB 0.114 19.137 19.000 0.040 0.000 1.288 142 A HN 1.000 nan 8.150 nan 0.000 0.424 143 T N 1.080 115.599 114.554 -0.058 0.000 2.884 143 T HA 0.423 4.773 4.350 -0.000 0.000 0.298 143 T C -0.113 174.407 174.700 -0.300 0.000 0.998 143 T CA 0.353 62.316 62.100 -0.229 0.000 1.124 143 T CB 0.242 68.887 68.868 -0.371 0.000 0.931 143 T HN 0.780 nan 8.240 nan 0.000 0.531 144 L N 5.100 126.140 121.223 -0.305 0.000 2.255 144 L HA 0.373 4.713 4.340 -0.000 0.000 0.289 144 L C -1.261 175.442 176.870 -0.277 0.000 1.046 144 L CA -0.409 54.317 54.840 -0.191 0.000 0.816 144 L CB -0.032 41.967 42.059 -0.100 0.000 1.197 144 L HN 0.580 nan 8.230 nan 0.000 0.427 145 Y N 6.142 126.449 120.300 0.011 0.000 2.751 145 Y HA 0.374 4.924 4.550 -0.000 0.000 0.333 145 Y C 0.039 175.946 175.900 0.012 0.000 1.122 145 Y CA -0.397 57.709 58.100 0.009 0.000 1.367 145 Y CB 0.202 38.667 38.460 0.008 0.000 1.242 145 Y HN 0.453 nan 8.280 nan 0.000 0.505 146 L N 4.625 125.910 121.223 0.103 0.000 2.439 146 L HA 0.250 4.590 4.340 -0.000 0.000 0.261 146 L C -1.293 175.620 176.870 0.072 0.000 1.153 146 L CA -1.828 53.066 54.840 0.090 0.000 0.808 146 L CB 0.987 43.082 42.059 0.060 0.000 1.126 146 L HN 0.280 nan 8.230 nan 0.000 0.460 147 P HA -0.116 nan 4.420 nan 0.000 0.223 147 P C 0.148 177.380 177.300 -0.114 0.000 1.151 147 P CA 0.884 63.953 63.100 -0.051 0.000 0.787 147 P CB 0.108 31.744 31.700 -0.107 0.000 0.788 148 D N -1.548 118.795 120.400 -0.096 0.000 2.431 148 D HA 0.068 4.707 4.640 -0.000 0.000 0.213 148 D C 0.523 176.806 176.300 -0.029 0.000 1.130 148 D CA -0.155 53.794 54.000 -0.084 0.000 0.834 148 D CB 0.139 40.878 40.800 -0.101 0.000 0.985 148 D HN 0.221 nan 8.370 nan 0.000 0.504 149 R N -2.700 117.797 120.500 -0.006 0.000 3.033 149 R HA 0.480 4.820 4.340 -0.000 0.000 0.284 149 R C -1.839 174.461 176.300 -0.000 0.000 0.997 149 R CA -0.808 55.290 56.100 -0.004 0.000 0.851 149 R CB -0.014 30.274 30.300 -0.020 0.000 1.297 149 R HN -0.187 nan 8.270 nan 0.000 0.518 150 T N 2.011 116.553 114.554 -0.021 0.000 2.815 150 T HA 0.490 4.840 4.350 -0.000 0.000 0.289 150 T C -0.769 173.856 174.700 -0.125 0.000 1.000 150 T CA -0.558 61.492 62.100 -0.083 0.000 0.958 150 T CB 0.826 69.672 68.868 -0.037 0.000 0.944 150 T HN 0.344 nan 8.240 nan 0.000 0.442 151 I N 3.612 124.079 120.570 -0.171 0.000 2.347 151 I HA 0.396 4.566 4.170 -0.000 0.000 0.283 151 I C 1.209 177.215 176.117 -0.186 0.000 1.058 151 I CA -0.210 61.006 61.300 -0.139 0.000 1.202 151 I CB 0.693 38.631 38.000 -0.104 0.000 1.386 151 I HN 0.716 nan 8.210 nan 0.000 0.475 155 P HA 0.104 nan 4.420 nan 0.000 0.269 155 P C -0.531 176.764 177.300 -0.008 0.000 1.215 155 P CA -0.098 62.992 63.100 -0.017 0.000 0.780 155 P CB 0.543 32.232 31.700 -0.019 0.000 0.898 156 D N 0.656 121.052 120.400 -0.007 0.000 2.144 156 D HA -0.167 4.473 4.640 -0.000 0.000 0.200 156 D C 1.667 177.976 176.300 0.016 0.000 0.978 156 D CA 1.351 55.353 54.000 0.003 0.000 0.833 156 D CB -0.339 40.461 40.800 -0.000 0.000 0.961 156 D HN 0.613 nan 8.370 nan 0.000 0.470 157 E N 0.761 120.967 120.200 0.010 0.000 2.118 157 E HA -0.186 4.164 4.350 -0.000 0.000 0.195 157 E C 2.225 178.840 176.600 0.025 0.000 0.992 157 E CA 0.617 57.028 56.400 0.019 0.000 0.804 157 E CB -0.539 29.164 29.700 0.004 0.000 0.741 157 E HN 0.284 nan 8.360 nan 0.000 0.458 158 L N 1.242 122.470 121.223 0.010 0.000 2.017 158 L HA -0.174 4.166 4.340 -0.000 0.000 0.208 158 L C 2.482 179.385 176.870 0.054 0.000 1.073 158 L CA 1.087 55.932 54.840 0.008 0.000 0.745 158 L CB -0.123 41.931 42.059 -0.008 0.000 0.894 158 L HN 0.052 nan 8.230 nan 0.000 0.432 159 V N 0.382 120.327 119.914 0.052 0.000 2.332 159 V HA -0.344 3.776 4.120 -0.000 0.000 0.248 159 V C 2.833 178.981 176.094 0.090 0.000 1.055 159 V CA 1.757 64.099 62.300 0.069 0.000 1.038 159 V CB -1.253 30.600 31.823 0.050 0.000 0.651 159 V HN 0.628 nan 8.190 nan 0.000 0.450 160 A N 1.060 123.931 122.820 0.084 0.000 1.865 160 A HA -0.273 4.047 4.320 -0.000 0.000 0.217 160 A C 2.307 180.025 177.584 0.225 0.000 1.191 160 A CA 2.394 54.496 52.037 0.108 0.000 0.623 160 A CB -0.466 18.590 19.000 0.093 0.000 0.826 160 A HN 0.692 nan 8.150 nan 0.000 0.444 161 K N -1.108 119.433 120.400 0.235 0.000 2.361 161 K HA 0.354 4.673 4.320 -0.000 0.000 0.196 161 K C 1.650 178.478 176.600 0.380 0.000 1.039 161 K CA 1.014 57.488 56.287 0.312 0.000 1.001 161 K CB -0.062 32.554 32.500 0.194 0.000 0.795 161 K HN 0.280 nan 8.250 nan 0.000 0.495 162 A N 1.814 124.826 122.820 0.319 0.000 2.063 162 A HA 0.250 4.570 4.320 -0.000 0.000 0.211 162 A C 1.300 179.006 177.584 0.204 0.000 1.177 162 A CA 0.348 52.599 52.037 0.357 0.000 0.759 162 A CB -0.421 18.768 19.000 0.314 0.000 0.857 162 A HN 0.375 nan 8.150 nan 0.000 0.468 163 G N 0.124 109.017 108.800 0.154 0.000 2.391 163 G HA2 0.370 4.330 3.960 -0.000 0.000 0.234 163 G HA3 0.370 4.330 3.960 -0.000 0.000 0.234 163 G C -0.098 174.843 174.900 0.068 0.000 1.284 163 G CA -0.249 44.908 45.100 0.096 0.000 0.873 163 G HN 0.365 nan 8.290 nan 0.000 0.549 164 L N 1.965 123.214 121.223 0.043 0.000 2.361 164 L HA 0.392 4.732 4.340 -0.000 0.000 0.278 164 L C 1.397 178.259 176.870 -0.015 0.000 1.113 164 L CA 0.734 55.580 54.840 0.009 0.000 0.849 164 L CB 0.971 43.040 42.059 0.017 0.000 1.155 164 L HN 0.979 nan 8.230 nan 0.000 0.452 165 G N 3.479 112.257 108.800 -0.038 0.000 2.149 165 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.235 165 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.235 165 G C 0.401 175.253 174.900 -0.079 0.000 1.018 165 G CA -0.051 45.015 45.100 -0.057 0.000 0.728 165 G HN 0.600 nan 8.290 nan 0.000 0.508 166 L N -0.320 120.832 121.223 -0.119 0.000 2.693 166 L HA 0.377 4.717 4.340 -0.000 0.000 0.235 166 L C 0.813 177.337 176.870 -0.576 0.000 1.127 166 L CA -0.019 54.649 54.840 -0.287 0.000 0.914 166 L CB 0.108 41.996 42.059 -0.285 0.000 1.193 166 L HN 0.312 nan 8.230 nan 0.000 0.502 167 H N -1.032 118.019 119.070 -0.032 0.000 2.961 167 H HA 0.113 4.669 4.556 -0.000 0.000 0.371 167 H C -0.034 175.259 175.328 -0.059 0.000 1.190 167 H CA -0.559 55.466 56.048 -0.038 0.000 1.138 167 H CB 1.959 31.699 29.762 -0.037 0.000 1.816 167 H HN -0.094 nan 8.280 nan 0.000 0.551 168 E N 1.174 121.414 120.200 0.066 0.000 2.233 168 E HA -0.104 4.245 4.350 -0.000 0.000 0.199 168 E C 0.131 176.709 176.600 -0.037 0.000 1.004 168 E CA 1.173 57.571 56.400 -0.003 0.000 0.819 168 E CB 0.306 30.002 29.700 -0.006 0.000 0.738 168 E HN 0.338 nan 8.360 nan 0.000 0.478 169 V N -2.642 117.259 119.914 -0.021 0.000 3.147 169 V HA 0.651 4.771 4.120 -0.000 0.000 0.306 169 V C -0.835 175.210 176.094 -0.082 0.000 1.209 169 V CA -0.496 61.753 62.300 -0.084 0.000 1.023 169 V CB 2.064 33.825 31.823 -0.103 0.000 1.059 169 V HN 0.110 nan 8.190 nan 0.000 0.435 170 S N 1.113 116.722 115.700 -0.151 0.000 2.537 170 S HA 0.789 5.259 4.470 -0.000 0.000 0.271 170 S C -3.223 171.205 174.600 -0.286 0.000 1.148 170 S CA -1.127 56.959 58.200 -0.189 0.000 0.868 170 S CB 2.173 65.313 63.200 -0.100 0.000 1.115 170 S HN 0.931 nan 8.310 nan 0.000 0.461 171 P HA 0.690 nan 4.420 nan 0.000 0.276 171 P C -0.770 176.331 177.300 -0.333 0.000 1.261 171 P CA -0.351 62.478 63.100 -0.451 0.000 0.800 171 P CB 0.960 32.194 31.700 -0.776 0.000 1.066 172 A N 0.444 123.126 122.820 -0.231 0.000 2.583 172 A HA 0.508 4.828 4.320 -0.000 0.000 0.292 172 A C -1.854 175.687 177.584 -0.072 0.000 1.045 172 A CA -0.668 51.300 52.037 -0.114 0.000 0.672 172 A CB 0.574 19.523 19.000 -0.085 0.000 1.283 172 A HN 0.536 nan 8.150 nan 0.000 0.419 173 L N 1.448 122.635 121.223 -0.059 0.000 2.282 173 L HA 0.749 5.089 4.340 -0.000 0.000 0.288 173 L C -0.298 176.557 176.870 -0.026 0.000 1.033 173 L CA 0.088 54.861 54.840 -0.113 0.000 0.807 173 L CB 1.496 43.353 42.059 -0.337 0.000 1.209 173 L HN 0.723 nan 8.230 nan 0.000 0.423 174 S N 4.827 120.552 115.700 0.042 0.000 2.607 174 S HA 0.741 5.211 4.470 -0.000 0.000 0.303 174 S C -0.852 173.790 174.600 0.070 0.000 1.086 174 S CA -0.542 57.740 58.200 0.137 0.000 0.995 174 S CB 1.945 65.364 63.200 0.364 0.000 1.084 174 S HN 0.420 nan 8.310 nan 0.000 0.507 175 I N 1.652 122.248 120.570 0.044 0.000 2.498 175 I HA 0.461 4.631 4.170 -0.000 0.000 0.290 175 I C -0.381 175.661 176.117 -0.126 0.000 1.032 175 I CA -0.406 60.852 61.300 -0.069 0.000 1.073 175 I CB 1.364 39.323 38.000 -0.070 0.000 1.251 175 I HN 0.872 nan 8.210 nan 0.000 0.426 176 C N 5.400 124.516 119.300 -0.306 0.000 2.507 176 C HA 0.937 5.397 4.460 -0.000 0.000 0.319 176 C C -0.890 173.876 174.990 -0.373 0.000 1.208 176 C CA -0.981 57.672 59.018 -0.608 0.000 1.619 176 C CB 0.673 27.574 27.740 -1.398 0.000 2.230 176 C HN 0.547 nan 8.230 nan 0.000 0.492 177 L N 2.711 123.753 121.223 -0.301 0.000 2.385 177 L HA 0.484 4.824 4.340 -0.000 0.000 0.273 177 L C -0.741 176.045 176.870 -0.140 0.000 0.990 177 L CA 0.078 54.842 54.840 -0.127 0.000 0.821 177 L CB 1.497 43.576 42.059 0.033 0.000 1.279 177 L HN 0.589 nan 8.230 nan 0.000 0.412 178 D N 4.349 124.696 120.400 -0.089 0.000 2.380 178 D HA 0.481 5.120 4.640 -0.000 0.000 0.230 178 D C -0.479 175.812 176.300 -0.016 0.000 1.154 178 D CA 0.129 54.086 54.000 -0.070 0.000 0.859 178 D CB 0.950 41.717 40.800 -0.056 0.000 1.045 178 D HN 0.283 nan 8.370 nan 0.000 0.495 179 L N 2.442 123.652 121.223 -0.021 0.000 2.322 179 L HA 0.301 4.640 4.340 -0.000 0.000 0.281 179 L C 0.458 177.322 176.870 -0.010 0.000 1.014 179 L CA -1.187 53.649 54.840 -0.006 0.000 0.815 179 L CB 1.403 43.454 42.059 -0.014 0.000 1.247 179 L HN 0.234 nan 8.230 nan 0.000 0.421 180 D N 2.420 122.817 120.400 -0.006 0.000 2.383 180 D HA 0.230 4.870 4.640 -0.000 0.000 0.248 180 D C -2.037 174.256 176.300 -0.011 0.000 1.170 180 D CA -1.933 52.064 54.000 -0.006 0.000 0.977 180 D CB 0.401 41.200 40.800 -0.002 0.000 1.120 180 D HN 0.139 nan 8.370 nan 0.000 0.481 181 P HA -0.139 nan 4.420 nan 0.000 0.217 181 P C 0.261 177.552 177.300 -0.016 0.000 1.148 181 P CA 1.166 64.260 63.100 -0.009 0.000 0.834 181 P CB 0.071 31.768 31.700 -0.005 0.000 0.783 182 D N -1.985 118.404 120.400 -0.018 0.000 2.336 182 D HA 0.078 4.718 4.640 -0.000 0.000 0.229 182 D C 1.491 177.766 176.300 -0.040 0.000 1.061 182 D CA 0.961 54.946 54.000 -0.025 0.000 0.875 182 D CB -0.173 40.615 40.800 -0.019 0.000 0.904 182 D HN 0.176 nan 8.370 nan 0.000 0.525 183 G N 1.288 110.062 108.800 -0.044 0.000 2.179 183 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.260 183 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.260 183 G C 0.246 175.096 174.900 -0.085 0.000 0.977 183 G CA -0.383 44.675 45.100 -0.070 0.000 0.641 183 G HN 0.222 nan 8.290 nan 0.000 0.533 184 N N 1.044 119.716 118.700 -0.047 0.000 2.514 184 N HA 0.571 5.311 4.740 -0.000 0.000 0.277 184 N C 0.342 175.863 175.510 0.020 0.000 1.126 184 N CA 0.644 53.679 53.050 -0.024 0.000 0.978 184 N CB 1.546 40.032 38.487 -0.002 0.000 1.106 184 N HN 0.653 nan 8.380 nan 0.000 0.461 185 A N 1.381 124.253 122.820 0.088 0.000 2.309 185 A HA 0.286 4.606 4.320 -0.000 0.000 0.298 185 A C 0.717 178.377 177.584 0.127 0.000 1.165 185 A CA -0.457 51.675 52.037 0.160 0.000 0.821 185 A CB 0.610 19.853 19.000 0.404 0.000 1.102 185 A HN 0.730 nan 8.150 nan 0.000 0.500 186 E N 0.741 120.986 120.200 0.074 0.000 2.447 186 E HA 0.392 4.741 4.350 -0.000 0.000 0.204 186 E C 0.132 176.756 176.600 0.041 0.000 0.977 186 E CA 0.683 57.113 56.400 0.051 0.000 0.950 186 E CB 0.688 30.405 29.700 0.028 0.000 0.975 186 E HN 0.763 nan 8.360 nan 0.000 0.496 187 A N 0.919 123.759 122.820 0.033 0.000 2.555 187 A HA 0.504 4.824 4.320 -0.000 0.000 0.297 187 A C -1.299 176.272 177.584 -0.022 0.000 1.060 187 A CA -0.537 51.504 52.037 0.007 0.000 0.710 187 A CB 1.614 20.610 19.000 -0.008 0.000 1.282 187 A HN -0.020 nan 8.150 nan 0.000 0.399 188 V N 2.590 122.483 119.914 -0.035 0.000 2.540 188 V HA 0.641 4.761 4.120 -0.000 0.000 0.302 188 V C -1.189 174.848 176.094 -0.096 0.000 1.035 188 V CA -0.520 61.728 62.300 -0.088 0.000 0.873 188 V CB 1.987 33.729 31.823 -0.134 0.000 0.992 188 V HN 0.934 nan 8.190 nan 0.000 0.428 189 D N 2.807 123.092 120.400 -0.192 0.000 2.671 189 D HA 0.681 5.321 4.640 -0.000 0.000 0.232 189 D C -1.057 175.014 176.300 -0.381 0.000 1.114 189 D CA -0.296 53.560 54.000 -0.239 0.000 0.858 189 D CB 2.568 43.283 40.800 -0.141 0.000 1.544 189 D HN 0.235 nan 8.370 nan 0.000 0.471 190 V N 1.841 121.394 119.914 -0.601 0.000 2.482 190 V HA 0.653 4.773 4.120 -0.000 0.000 0.295 190 V C -0.929 174.995 176.094 -0.283 0.000 1.026 190 V CA -0.679 61.286 62.300 -0.558 0.000 0.856 190 V CB 1.133 32.325 31.823 -1.052 0.000 1.001 190 V HN 0.455 nan 8.190 nan 0.000 0.424 191 L N 3.400 124.569 121.223 -0.089 0.000 2.671 191 L HA 0.684 5.024 4.340 -0.000 0.000 0.259 191 L C -0.856 176.014 176.870 0.001 0.000 1.021 191 L CA -0.918 53.915 54.840 -0.012 0.000 0.871 191 L CB 1.537 43.620 42.059 0.040 0.000 1.472 191 L HN 0.323 nan 8.230 nan 0.000 0.410 192 L N 1.521 122.739 121.223 -0.008 0.000 2.360 192 L HA 0.690 5.030 4.340 -0.000 0.000 0.276 192 L C 0.363 177.204 176.870 -0.048 0.000 1.121 192 L CA 0.049 54.870 54.840 -0.031 0.000 0.845 192 L CB 0.823 42.867 42.059 -0.025 0.000 1.143 192 L HN 0.983 nan 8.230 nan 0.000 0.452 193 T N 0.737 115.238 114.554 -0.088 0.000 2.838 193 T HA 0.584 4.934 4.350 -0.000 0.000 0.292 193 T C -0.663 173.909 174.700 -0.212 0.000 1.113 193 T CA -1.065 60.945 62.100 -0.150 0.000 1.008 193 T CB 2.438 71.188 68.868 -0.197 0.000 1.259 193 T HN 0.573 nan 8.240 nan 0.000 0.520 194 R N 0.757 121.104 120.500 -0.256 0.000 2.532 194 R HA 0.692 5.032 4.340 -0.000 0.000 0.297 194 R C -1.072 175.017 176.300 -0.352 0.000 0.984 194 R CA -0.685 55.251 56.100 -0.273 0.000 0.884 194 R CB 1.668 31.843 30.300 -0.207 0.000 1.182 194 R HN 0.818 nan 8.270 nan 0.000 0.442 195 V N 0.492 120.172 119.914 -0.391 0.000 3.141 195 V HA 0.681 4.801 4.120 -0.000 0.000 0.312 195 V C -1.350 174.550 176.094 -0.324 0.000 1.157 195 V CA -1.164 60.862 62.300 -0.456 0.000 1.041 195 V CB 2.130 33.525 31.823 -0.714 0.000 1.071 195 V HN 0.810 nan 8.190 nan 0.000 0.441 196 K N 1.711 121.926 120.400 -0.308 0.000 2.507 196 K HA 0.752 5.072 4.320 -0.000 0.000 0.253 196 K C -0.712 175.732 176.600 -0.259 0.000 0.969 196 K CA -0.584 55.566 56.287 -0.229 0.000 0.908 196 K CB 1.733 34.120 32.500 -0.189 0.000 1.127 196 K HN 1.134 nan 8.250 nan 0.000 0.437 197 V N 1.023 120.806 119.914 -0.219 0.000 2.617 197 V HA 0.398 4.517 4.120 -0.000 0.000 0.298 197 V C -0.976 175.001 176.094 -0.194 0.000 1.048 197 V CA -0.394 61.770 62.300 -0.228 0.000 0.964 197 V CB 1.394 33.130 31.823 -0.145 0.000 1.004 197 V HN 0.843 nan 8.190 nan 0.000 0.466 198 Q N 4.037 123.685 119.800 -0.254 0.000 2.333 198 Q HA 0.564 4.904 4.340 -0.000 0.000 0.268 198 Q C -0.710 175.333 176.000 0.071 0.000 1.007 198 Q CA -0.435 55.301 55.803 -0.112 0.000 0.810 198 Q CB 2.250 30.879 28.738 -0.182 0.000 1.264 198 Q HN 0.767 nan 8.270 nan 0.000 0.452 199 R N 2.088 122.632 120.500 0.073 0.000 2.459 199 R HA 0.646 4.986 4.340 -0.000 0.000 0.281 199 R C -0.571 175.800 176.300 0.118 0.000 1.050 199 R CA -0.216 55.936 56.100 0.087 0.000 1.055 199 R CB 0.707 31.022 30.300 0.024 0.000 1.045 199 R HN 0.486 nan 8.270 nan 0.000 0.495 200 L N 0.494 121.767 121.223 0.084 0.000 2.540 200 L HA 0.559 4.899 4.340 -0.000 0.000 0.256 200 L C -0.819 176.007 176.870 -0.073 0.000 1.001 200 L CA -1.088 53.772 54.840 0.033 0.000 0.843 200 L CB 2.157 44.260 42.059 0.074 0.000 1.436 200 L HN 0.682 nan 8.230 nan 0.000 0.410 201 A N -0.174 122.593 122.820 -0.090 0.000 2.293 201 A HA 0.513 4.833 4.320 -0.000 0.000 0.302 201 A C 0.161 177.659 177.584 -0.143 0.000 1.119 201 A CA -0.129 51.821 52.037 -0.146 0.000 0.823 201 A CB 0.303 19.269 19.000 -0.056 0.000 1.097 201 A HN 0.665 nan 8.150 nan 0.000 0.491 202 Y N 0.271 120.579 120.300 0.013 0.000 2.102 202 Y HA -0.293 4.257 4.550 -0.000 0.000 0.280 202 Y C 2.684 178.564 175.900 -0.033 0.000 1.178 202 Y CA 2.447 60.548 58.100 0.001 0.000 1.146 202 Y CB -0.356 38.111 38.460 0.011 0.000 0.968 202 Y HN 0.676 nan 8.280 nan 0.000 0.504 203 Q N 0.211 120.083 119.800 0.120 0.000 2.096 203 Q HA -0.229 4.111 4.340 -0.000 0.000 0.204 203 Q C 2.040 178.019 176.000 -0.035 0.000 0.982 203 Q CA 1.833 57.660 55.803 0.040 0.000 0.850 203 Q CB -0.428 28.331 28.738 0.035 0.000 0.901 203 Q HN 0.674 nan 8.270 nan 0.000 0.422 204 E N 0.693 120.857 120.200 -0.060 0.000 2.077 204 E HA -0.132 4.217 4.350 -0.000 0.000 0.193 204 E C 1.987 178.436 176.600 -0.251 0.000 0.989 204 E CA 0.944 57.270 56.400 -0.123 0.000 0.800 204 E CB -0.130 29.512 29.700 -0.097 0.000 0.746 204 E HN 0.338 nan 8.360 nan 0.000 0.452 205 A N 1.261 123.926 122.820 -0.259 0.000 1.930 205 A HA -0.257 4.063 4.320 -0.000 0.000 0.217 205 A C 2.171 179.491 177.584 -0.439 0.000 1.175 205 A CA 1.652 53.384 52.037 -0.508 0.000 0.627 205 A CB -0.446 18.456 19.000 -0.164 0.000 0.815 205 A HN 0.129 nan 8.150 nan 0.000 0.443 206 Q N 0.123 119.816 119.800 -0.179 0.000 2.096 206 Q HA -0.081 4.258 4.340 -0.000 0.000 0.204 206 Q C 1.977 177.888 176.000 -0.149 0.000 0.982 206 Q CA 2.256 57.992 55.803 -0.112 0.000 0.850 206 Q CB -0.627 28.089 28.738 -0.037 0.000 0.901 206 Q HN 0.556 nan 8.270 nan 0.000 0.422 207 A N 0.311 123.030 122.820 -0.168 0.000 1.972 207 A HA -0.154 4.166 4.320 -0.000 0.000 0.219 207 A C 2.005 179.474 177.584 -0.191 0.000 1.169 207 A CA 1.431 53.381 52.037 -0.145 0.000 0.635 207 A CB -0.389 18.537 19.000 -0.123 0.000 0.810 207 A HN 0.403 nan 8.150 nan 0.000 0.446 208 R N -0.833 119.456 120.500 -0.351 0.000 2.193 208 R HA 0.118 4.457 4.340 -0.000 0.000 0.213 208 R C 1.912 178.060 176.300 -0.254 0.000 1.055 208 R CA 0.588 56.446 56.100 -0.402 0.000 0.995 208 R CB -0.276 29.489 30.300 -0.891 0.000 0.893 208 R HN 0.468 nan 8.270 nan 0.000 0.459 209 L N 1.329 122.412 121.223 -0.234 0.000 2.095 209 L HA -0.064 4.275 4.340 -0.000 0.000 0.204 209 L C 1.374 178.230 176.870 -0.023 0.000 1.080 209 L CA 1.860 56.673 54.840 -0.044 0.000 0.759 209 L CB -0.254 41.793 42.059 -0.021 0.000 0.914 209 L HN 0.144 nan 8.230 nan 0.000 0.439 210 E N 0.009 120.178 120.200 -0.052 0.000 2.204 210 E HA -0.101 4.248 4.350 -0.000 0.000 0.194 210 E C 1.872 178.459 176.600 -0.022 0.000 0.989 210 E CA 1.043 57.425 56.400 -0.030 0.000 0.824 210 E CB -0.027 29.651 29.700 -0.037 0.000 0.756 210 E HN 0.556 nan 8.360 nan 0.000 0.477 211 A N 0.196 122.997 122.820 -0.033 0.000 2.238 211 A HA 0.264 4.584 4.320 -0.000 0.000 0.208 211 A C 1.495 179.084 177.584 0.007 0.000 1.177 211 A CA 0.622 52.649 52.037 -0.017 0.000 0.804 211 A CB -0.416 18.567 19.000 -0.030 0.000 0.823 211 A HN 0.276 nan 8.150 nan 0.000 0.482 212 G N 0.001 108.812 108.800 0.018 0.000 2.246 212 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.273 212 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.273 212 G C -0.211 174.732 174.900 0.072 0.000 1.055 212 G CA 0.473 45.599 45.100 0.043 0.000 0.851 212 G HN 0.673 nan 8.290 nan 0.000 0.500 213 E N -0.109 120.157 120.200 0.111 0.000 2.283 213 E HA 0.494 4.844 4.350 -0.000 0.000 0.267 213 E C 0.132 176.864 176.600 0.219 0.000 1.045 213 E CA -0.698 55.805 56.400 0.171 0.000 0.884 213 E CB 0.974 30.803 29.700 0.215 0.000 1.106 213 E HN 0.308 nan 8.360 nan 0.000 0.408 214 E N 1.775 122.053 120.200 0.130 0.000 2.222 214 E HA 0.153 4.503 4.350 -0.000 0.000 0.272 214 E C -1.762 174.751 176.600 -0.145 0.000 0.982 214 E CA -1.805 54.605 56.400 0.018 0.000 0.842 214 E CB 1.170 30.887 29.700 0.030 0.000 1.144 214 E HN 0.355 nan 8.360 nan 0.000 0.397 215 P HA 0.030 nan 4.420 nan 0.000 0.249 215 P C 0.919 178.055 177.300 -0.273 0.000 1.229 215 P CA 0.333 63.286 63.100 -0.244 0.000 0.788 215 P CB 0.067 31.669 31.700 -0.164 0.000 1.072 216 F N 0.531 120.464 119.950 -0.027 0.000 2.087 216 F HA -0.213 4.314 4.527 -0.000 0.000 0.299 216 F C 2.593 178.388 175.800 -0.008 0.000 1.100 216 F CA 1.248 59.224 58.000 -0.039 0.000 1.226 216 F CB -1.829 37.116 39.000 -0.091 0.000 0.983 216 F HN -0.225 nan 8.300 nan 0.000 0.479 217 V N -0.292 119.715 119.914 0.155 0.000 2.233 217 V HA -0.322 3.798 4.120 -0.000 0.000 0.247 217 V C 2.337 178.464 176.094 0.056 0.000 1.050 217 V CA 2.554 64.910 62.300 0.093 0.000 1.010 217 V CB -1.090 30.777 31.823 0.074 0.000 0.637 217 V HN 0.423 nan 8.190 nan 0.000 0.444 218 T N 0.447 115.023 114.554 0.036 0.000 2.684 218 T HA -0.202 4.147 4.350 -0.000 0.000 0.267 218 T C 1.880 176.594 174.700 0.024 0.000 1.036 218 T CA 1.782 63.896 62.100 0.024 0.000 1.148 218 T CB -0.384 68.494 68.868 0.016 0.000 0.863 218 T HN 0.278 nan 8.240 nan 0.000 0.436 219 L N 0.764 122.002 121.223 0.025 0.000 1.990 219 L HA -0.196 4.144 4.340 -0.000 0.000 0.213 219 L C 3.080 179.977 176.870 0.044 0.000 1.072 219 L CA 1.517 56.379 54.840 0.036 0.000 0.755 219 L CB -0.764 41.324 42.059 0.048 0.000 0.889 219 L HN 0.268 nan 8.230 nan 0.000 0.432 220 A N -0.158 122.697 122.820 0.058 0.000 1.908 220 A HA -0.277 4.043 4.320 -0.000 0.000 0.218 220 A C 2.403 180.001 177.584 0.025 0.000 1.181 220 A CA 2.038 54.103 52.037 0.047 0.000 0.627 220 A CB -0.632 18.401 19.000 0.055 0.000 0.818 220 A HN 0.390 nan 8.150 nan 0.000 0.445 221 R N -0.287 120.226 120.500 0.022 0.000 2.070 221 R HA -0.092 4.248 4.340 -0.000 0.000 0.232 221 R C 2.025 178.325 176.300 -0.000 0.000 1.138 221 R CA 1.807 57.913 56.100 0.010 0.000 0.936 221 R CB -0.513 29.794 30.300 0.011 0.000 0.839 221 R HN 0.496 nan 8.270 nan 0.000 0.429 222 L N 0.441 121.665 121.223 0.001 0.000 2.127 222 L HA -0.173 4.166 4.340 -0.000 0.000 0.211 222 L C 2.707 179.567 176.870 -0.017 0.000 1.089 222 L CA 1.345 56.179 54.840 -0.010 0.000 0.757 222 L CB -0.568 41.488 42.059 -0.005 0.000 0.899 222 L HN 0.374 nan 8.230 nan 0.000 0.434 223 A N -0.058 122.758 122.820 -0.005 0.000 1.897 223 A HA -0.195 4.124 4.320 -0.000 0.000 0.215 223 A C 2.471 180.040 177.584 -0.025 0.000 1.181 223 A CA 1.410 53.440 52.037 -0.011 0.000 0.620 223 A CB -0.485 18.518 19.000 0.005 0.000 0.821 223 A HN 0.309 nan 8.150 nan 0.000 0.443 224 R N -0.500 119.989 120.500 -0.018 0.000 2.096 224 R HA -0.082 4.257 4.340 -0.000 0.000 0.235 224 R C 2.261 178.541 176.300 -0.034 0.000 1.127 224 R CA 1.254 57.340 56.100 -0.023 0.000 0.968 224 R CB -0.300 29.992 30.300 -0.013 0.000 0.861 224 R HN 0.478 nan 8.270 nan 0.000 0.440 225 A N -0.436 122.362 122.820 -0.037 0.000 1.872 225 A HA -0.134 4.186 4.320 -0.000 0.000 0.214 225 A C 2.094 179.633 177.584 -0.075 0.000 1.187 225 A CA 1.714 53.722 52.037 -0.049 0.000 0.614 225 A CB -0.701 18.272 19.000 -0.044 0.000 0.826 225 A HN 0.406 nan 8.150 nan 0.000 0.442 226 S N -0.822 114.827 115.700 -0.085 0.000 2.402 226 S HA -0.171 4.298 4.470 -0.000 0.000 0.229 226 S C 2.190 176.717 174.600 -0.123 0.000 1.021 226 S CA 1.433 59.557 58.200 -0.126 0.000 0.974 226 S CB -0.379 62.751 63.200 -0.117 0.000 0.800 226 S HN 0.585 nan 8.310 nan 0.000 0.484 227 R N 0.190 120.637 120.500 -0.089 0.000 2.090 227 R HA 0.080 4.420 4.340 -0.000 0.000 0.228 227 R C 2.462 178.716 176.300 -0.077 0.000 1.110 227 R CA 0.963 57.012 56.100 -0.084 0.000 0.973 227 R CB -0.108 30.154 30.300 -0.063 0.000 0.869 227 R HN 0.380 nan 8.270 nan 0.000 0.440 228 R N 0.159 120.619 120.500 -0.067 0.000 2.092 228 R HA -0.047 4.293 4.340 -0.000 0.000 0.231 228 R C 2.378 178.640 176.300 -0.064 0.000 1.119 228 R CA 1.134 57.201 56.100 -0.055 0.000 0.970 228 R CB -0.284 29.990 30.300 -0.044 0.000 0.864 228 R HN 0.219 nan 8.270 nan 0.000 0.440 229 L N 0.387 121.558 121.223 -0.087 0.000 1.994 229 L HA -0.198 4.142 4.340 -0.000 0.000 0.208 229 L C 2.532 179.344 176.870 -0.096 0.000 1.071 229 L CA 1.587 56.368 54.840 -0.099 0.000 0.745 229 L CB -0.412 41.560 42.059 -0.146 0.000 0.892 229 L HN 0.165 nan 8.230 nan 0.000 0.431 230 R N 0.031 120.459 120.500 -0.120 0.000 2.127 230 R HA -0.182 4.158 4.340 -0.000 0.000 0.238 230 R C 1.993 178.253 176.300 -0.066 0.000 1.134 230 R CA 1.346 57.380 56.100 -0.110 0.000 0.975 230 R CB -0.257 29.958 30.300 -0.142 0.000 0.865 230 R HN 0.460 nan 8.270 nan 0.000 0.447 231 E N -0.575 119.589 120.200 -0.059 0.000 2.427 231 E HA -0.051 4.299 4.350 -0.000 0.000 0.196 231 E C 1.792 178.384 176.600 -0.013 0.000 1.028 231 E CA 0.618 56.998 56.400 -0.035 0.000 0.864 231 E CB 0.199 29.877 29.700 -0.036 0.000 0.813 231 E HN 0.494 nan 8.360 nan 0.000 0.514 232 G N 0.853 109.641 108.800 -0.019 0.000 2.539 232 G HA2 -0.133 3.827 3.960 -0.000 0.000 0.215 232 G HA3 -0.133 3.827 3.960 -0.000 0.000 0.215 232 G C 1.253 176.161 174.900 0.013 0.000 1.141 232 G CA -0.023 45.073 45.100 -0.006 0.000 0.806 232 G HN 0.035 nan 8.290 nan 0.000 0.533 233 E N 0.602 120.809 120.200 0.011 0.000 2.445 233 E HA 0.199 4.548 4.350 -0.000 0.000 0.189 233 E C 1.602 178.271 176.600 0.114 0.000 1.069 233 E CA 0.357 56.783 56.400 0.043 0.000 0.871 233 E CB -0.113 29.596 29.700 0.016 0.000 0.991 233 E HN 0.421 nan 8.360 nan 0.000 0.481 234 G N 0.815 109.685 108.800 0.117 0.000 2.157 234 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.239 234 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.239 234 G C 0.519 175.465 174.900 0.076 0.000 0.982 234 G CA 0.059 45.295 45.100 0.227 0.000 0.650 234 G HN 0.514 nan 8.290 nan 0.000 0.527 235 A N -0.101 122.706 122.820 -0.022 0.000 2.425 235 A HA 0.748 5.068 4.320 -0.000 0.000 0.249 235 A C 0.482 178.001 177.584 -0.108 0.000 1.084 235 A CA 0.346 52.309 52.037 -0.122 0.000 0.781 235 A CB 0.449 19.384 19.000 -0.108 0.000 1.019 235 A HN 0.869 nan 8.150 nan 0.000 0.490 236 L N 0.908 122.046 121.223 -0.142 0.000 2.279 236 L HA 0.594 4.933 4.340 -0.000 0.000 0.262 236 L C 0.412 177.235 176.870 -0.079 0.000 1.019 236 L CA -0.666 54.120 54.840 -0.090 0.000 0.823 236 L CB 2.216 44.225 42.059 -0.083 0.000 1.358 236 L HN 0.650 nan 8.230 nan 0.000 0.432 237 S N 1.012 116.680 115.700 -0.053 0.000 2.449 237 S HA 0.612 5.082 4.470 -0.000 0.000 0.310 237 S C -0.429 174.150 174.600 -0.034 0.000 1.096 237 S CA -0.572 57.600 58.200 -0.047 0.000 1.095 237 S CB 0.602 63.779 63.200 -0.037 0.000 1.007 237 S HN 0.441 nan 8.310 nan 0.000 0.474 238 I N 1.889 122.435 120.570 -0.040 0.000 2.779 238 I HA 0.528 4.698 4.170 -0.000 0.000 0.294 238 I C -0.583 175.518 176.117 -0.026 0.000 1.241 238 I CA -0.568 60.712 61.300 -0.033 0.000 1.069 238 I CB 0.692 38.661 38.000 -0.053 0.000 1.772 238 I HN 0.344 nan 8.210 nan 0.000 0.582 239 D N 4.013 124.406 120.400 -0.012 0.000 2.493 239 D HA 0.353 4.993 4.640 -0.000 0.000 0.235 239 D C -0.228 176.083 176.300 0.018 0.000 1.117 239 D CA -0.282 53.714 54.000 -0.008 0.000 0.930 239 D CB 0.806 41.595 40.800 -0.018 0.000 1.010 239 D HN 0.217 nan 8.370 nan 0.000 0.514 240 L N 3.374 124.615 121.223 0.031 0.000 2.469 240 L HA 0.543 4.882 4.340 -0.000 0.000 0.253 240 L C -1.755 175.152 176.870 0.061 0.000 1.143 240 L CA -1.995 52.889 54.840 0.073 0.000 0.804 240 L CB 0.226 42.355 42.059 0.115 0.000 1.214 240 L HN 0.349 nan 8.230 nan 0.000 0.476 241 P HA 0.183 nan 4.420 nan 0.000 0.271 241 P C -0.975 176.359 177.300 0.056 0.000 1.216 241 P CA -0.177 62.963 63.100 0.067 0.000 0.776 241 P CB 0.939 32.690 31.700 0.084 0.000 0.881 242 E N 0.626 120.844 120.200 0.030 0.000 2.299 242 E HA 0.541 4.891 4.350 -0.000 0.000 0.265 242 E C -0.364 176.231 176.600 -0.008 0.000 0.911 242 E CA -1.179 55.226 56.400 0.008 0.000 0.789 242 E CB 2.219 31.911 29.700 -0.013 0.000 1.246 242 E HN 0.306 nan 8.360 nan 0.000 0.427 243 V N -1.344 118.544 119.914 -0.044 0.000 3.167 243 V HA 0.666 4.786 4.120 -0.000 0.000 0.310 243 V C -0.766 175.206 176.094 -0.205 0.000 1.207 243 V CA -1.177 61.057 62.300 -0.110 0.000 1.059 243 V CB 2.025 33.793 31.823 -0.092 0.000 1.079 243 V HN 0.675 nan 8.190 nan 0.000 0.446 244 R N 0.445 120.701 120.500 -0.406 0.000 2.599 244 R HA 0.817 5.157 4.340 -0.000 0.000 0.295 244 R C -1.982 173.988 176.300 -0.551 0.000 0.963 244 R CA -0.516 55.284 56.100 -0.501 0.000 0.883 244 R CB 2.169 32.024 30.300 -0.741 0.000 1.171 244 R HN 0.744 nan 8.270 nan 0.000 0.450 245 V N 4.433 124.153 119.914 -0.323 0.000 2.407 245 V HA 0.412 4.532 4.120 -0.000 0.000 0.291 245 V C -0.520 175.470 176.094 -0.173 0.000 1.018 245 V CA -0.719 61.437 62.300 -0.239 0.000 0.842 245 V CB 1.469 33.227 31.823 -0.108 0.000 0.996 245 V HN 0.711 nan 8.190 nan 0.000 0.426 246 K N 2.810 123.117 120.400 -0.154 0.000 2.385 246 K HA 0.932 5.252 4.320 -0.000 0.000 0.248 246 K C -0.844 175.688 176.600 -0.113 0.000 0.955 246 K CA -0.271 55.965 56.287 -0.085 0.000 0.816 246 K CB 2.366 34.887 32.500 0.034 0.000 1.250 246 K HN 0.871 nan 8.250 nan 0.000 0.434 247 A N 2.228 124.954 122.820 -0.157 0.000 2.549 247 A HA 0.729 5.049 4.320 -0.000 0.000 0.297 247 A C -1.740 175.788 177.584 -0.093 0.000 1.061 247 A CA -0.598 51.330 52.037 -0.182 0.000 0.690 247 A CB 1.137 19.826 19.000 -0.518 0.000 1.287 247 A HN 0.818 nan 8.150 nan 0.000 0.402 248 D N -0.249 120.131 120.400 -0.033 0.000 2.946 248 D HA 0.344 4.984 4.640 -0.000 0.000 0.337 248 D C 0.549 176.860 176.300 0.017 0.000 1.332 248 D CA -0.194 53.802 54.000 -0.007 0.000 0.935 248 D CB 0.056 40.858 40.800 0.005 0.000 1.440 248 D HN 0.311 nan 8.370 nan 0.000 0.540 249 E N -0.494 119.717 120.200 0.019 0.000 2.160 249 E HA -0.170 4.179 4.350 -0.000 0.000 0.195 249 E C 1.695 178.318 176.600 0.039 0.000 0.991 249 E CA 2.560 58.977 56.400 0.028 0.000 0.810 249 E CB -0.554 29.158 29.700 0.021 0.000 0.742 249 E HN 0.553 nan 8.360 nan 0.000 0.466 250 T N -3.271 111.307 114.554 0.040 0.000 3.035 250 T HA 0.298 4.648 4.350 -0.000 0.000 0.268 250 T C 1.000 175.742 174.700 0.070 0.000 1.109 250 T CA 0.824 62.954 62.100 0.049 0.000 1.119 250 T CB 0.016 68.912 68.868 0.045 0.000 0.900 250 T HN 0.355 nan 8.240 nan 0.000 0.503 251 G N 0.410 109.256 108.800 0.076 0.000 2.270 251 G HA2 0.426 4.386 3.960 -0.000 0.000 0.268 251 G HA3 0.426 4.386 3.960 -0.000 0.000 0.268 251 G C -1.128 173.838 174.900 0.111 0.000 1.312 251 G CA -0.400 44.765 45.100 0.109 0.000 1.050 251 G HN 0.940 nan 8.290 nan 0.000 0.474 252 A N -0.644 122.279 122.820 0.172 0.000 2.330 252 A HA 0.906 5.225 4.320 -0.000 0.000 0.327 252 A C 0.065 177.763 177.584 0.190 0.000 1.155 252 A CA 0.432 52.563 52.037 0.158 0.000 0.803 252 A CB 1.414 20.566 19.000 0.254 0.000 1.208 252 A HN 1.754 nan 8.150 nan 0.000 0.477 253 S N 0.231 115.936 115.700 0.008 0.000 2.526 253 S HA 0.663 5.133 4.470 -0.000 0.000 0.293 253 S C -0.906 173.411 174.600 -0.471 0.000 1.092 253 S CA -0.543 57.572 58.200 -0.142 0.000 0.980 253 S CB 1.817 65.105 63.200 0.146 0.000 1.048 253 S HN 0.775 nan 8.310 nan 0.000 0.483 254 V N 3.746 123.053 119.914 -1.012 0.000 2.538 254 V HA 0.364 4.484 4.120 -0.000 0.000 0.265 254 V C -1.337 174.523 176.094 -0.388 0.000 0.977 254 V CA -0.655 61.176 62.300 -0.782 0.000 0.852 254 V CB -0.286 31.036 31.823 -0.835 0.000 1.058 254 V HN 0.807 nan 8.190 nan 0.000 0.462 255 F N 2.761 122.587 119.950 -0.207 0.000 2.450 255 F HA 0.909 5.436 4.527 -0.000 0.000 0.332 255 F C -2.568 173.228 175.800 -0.007 0.000 1.093 255 F CA -3.840 54.132 58.000 -0.047 0.000 1.003 255 F CB 0.330 39.321 39.000 -0.016 0.000 1.151 255 F HN 0.140 nan 8.300 nan 0.000 0.474 256 P HA 0.071 nan 4.420 nan 0.000 0.267 256 P C -0.757 176.591 177.300 0.079 0.000 1.201 256 P CA -0.145 63.006 63.100 0.086 0.000 0.775 256 P CB 0.667 32.445 31.700 0.130 0.000 0.854 257 L N 4.820 126.058 121.223 0.025 0.000 2.257 257 L HA 0.399 4.738 4.340 -0.000 0.000 0.290 257 L C -1.928 174.973 176.870 0.052 0.000 1.044 257 L CA -2.169 52.690 54.840 0.032 0.000 0.810 257 L CB 1.160 43.208 42.059 -0.018 0.000 1.193 257 L HN 0.296 nan 8.230 nan 0.000 0.425 258 P HA 0.089 nan 4.420 nan 0.000 0.271 258 P C -1.448 175.867 177.300 0.024 0.000 1.216 258 P CA -0.226 62.910 63.100 0.061 0.000 0.776 258 P CB 0.711 32.460 31.700 0.082 0.000 0.881 259 K N 3.403 123.799 120.400 -0.006 0.000 2.679 259 K HA 0.316 4.636 4.320 -0.000 0.000 0.188 259 K C -2.020 174.549 176.600 -0.052 0.000 1.055 259 K CA -1.387 54.863 56.287 -0.062 0.000 1.006 259 K CB 1.122 33.584 32.500 -0.063 0.000 1.317 259 K HN 0.467 nan 8.250 nan 0.000 0.584 260 P HA 0.063 nan 4.420 nan 0.000 0.276 260 P C -0.059 177.217 177.300 -0.040 0.000 1.261 260 P CA -0.456 62.632 63.100 -0.019 0.000 0.800 260 P CB 0.936 32.645 31.700 0.015 0.000 1.066 264 T N 0.996 115.452 114.554 -0.164 0.000 2.759 264 T HA -0.093 4.257 4.350 -0.000 0.000 0.269 264 T C 1.555 176.230 174.700 -0.042 0.000 1.042 264 T CA 1.775 63.818 62.100 -0.095 0.000 1.140 264 T CB -0.112 68.716 68.868 -0.067 0.000 0.864 264 T HN 0.083 nan 8.240 nan 0.000 0.455 265 V N 1.086 120.996 119.914 -0.008 0.000 2.295 265 V HA -0.141 3.978 4.120 -0.000 0.000 0.246 265 V C 2.641 178.772 176.094 0.063 0.000 1.049 265 V CA 1.363 63.683 62.300 0.034 0.000 1.024 265 V CB -0.704 31.159 31.823 0.068 0.000 0.648 265 V HN 0.317 nan 8.190 nan 0.000 0.447 266 V N -0.473 119.503 119.914 0.104 0.000 2.490 266 V HA -0.307 3.813 4.120 -0.000 0.000 0.250 266 V C 2.439 178.596 176.094 0.104 0.000 1.061 266 V CA 1.896 64.288 62.300 0.155 0.000 1.064 266 V CB -0.727 31.282 31.823 0.310 0.000 0.670 266 V HN 0.591 nan 8.190 nan 0.000 0.461 267 Q N -0.403 119.425 119.800 0.046 0.000 2.050 267 Q HA -0.262 4.078 4.340 -0.000 0.000 0.202 267 Q C 2.373 178.389 176.000 0.027 0.000 0.980 267 Q CA 1.828 57.647 55.803 0.026 0.000 0.840 267 Q CB -0.187 28.534 28.738 -0.028 0.000 0.898 267 Q HN 0.547 nan 8.270 nan 0.000 0.424 268 E N 0.189 120.395 120.200 0.010 0.000 2.153 268 E HA -0.108 4.242 4.350 -0.000 0.000 0.194 268 E C 0.336 176.956 176.600 0.033 0.000 0.988 268 E CA 0.423 56.823 56.400 -0.000 0.000 0.811 268 E CB -0.054 29.637 29.700 -0.016 0.000 0.746 268 E HN 0.259 nan 8.360 nan 0.000 0.466 272 L N 1.744 123.086 121.223 0.198 0.000 1.994 272 L HA 0.016 4.356 4.340 -0.000 0.000 0.208 272 L C 3.025 180.086 176.870 0.319 0.000 1.071 272 L CA 1.895 56.891 54.840 0.259 0.000 0.745 272 L CB -0.514 41.634 42.059 0.148 0.000 0.892 272 L HN 0.407 nan 8.230 nan 0.000 0.431 273 A N 0.117 123.057 122.820 0.200 0.000 1.940 273 A HA -0.174 4.146 4.320 -0.000 0.000 0.219 273 A C 2.347 180.007 177.584 0.126 0.000 1.176 273 A CA 1.894 54.008 52.037 0.129 0.000 0.631 273 A CB -1.270 17.785 19.000 0.092 0.000 0.814 273 A HN 0.489 nan 8.150 nan 0.000 0.446 274 G N -1.543 107.376 108.800 0.198 0.000 2.404 274 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.215 274 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.215 274 G C 1.396 176.385 174.900 0.148 0.000 1.174 274 G CA 1.085 46.212 45.100 0.045 0.000 0.780 274 G HN 0.740 nan 8.290 nan 0.000 0.537 275 W N 1.877 123.359 121.300 0.303 0.000 2.355 275 W HA 0.035 4.694 4.660 -0.000 0.000 0.309 275 W C 2.433 179.036 176.519 0.140 0.000 1.206 275 W CA 2.073 59.580 57.345 0.270 0.000 1.284 275 W CB -0.513 29.067 29.460 0.199 0.000 1.145 275 W HN 0.102 nan 8.180 nan 0.000 0.502 276 G N -0.459 108.308 108.800 -0.055 0.000 2.475 276 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.220 276 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.220 276 G C 1.393 176.134 174.900 -0.264 0.000 1.125 276 G CA 1.678 46.556 45.100 -0.370 0.000 0.755 276 G HN 0.345 nan 8.290 nan 0.000 0.565 277 T N 1.118 115.599 114.554 -0.121 0.000 2.942 277 T HA 0.206 4.556 4.350 -0.000 0.000 0.265 277 T C 2.796 177.475 174.700 -0.034 0.000 1.062 277 T CA 1.057 63.123 62.100 -0.057 0.000 1.139 277 T CB -0.168 68.668 68.868 -0.054 0.000 0.883 277 T HN 0.366 nan 8.240 nan 0.000 0.468 278 A N 1.796 124.577 122.820 -0.064 0.000 1.902 278 A HA -0.033 4.287 4.320 -0.000 0.000 0.217 278 A C 2.154 179.763 177.584 0.043 0.000 1.181 278 A CA 0.999 53.099 52.037 0.106 0.000 0.623 278 A CB -0.580 18.526 19.000 0.177 0.000 0.818 278 A HN 0.354 nan 8.150 nan 0.000 0.443 279 I N -1.329 119.112 120.570 -0.216 0.000 2.076 279 I HA -0.216 3.954 4.170 -0.000 0.000 0.237 279 I C 2.336 178.389 176.117 -0.106 0.000 1.059 279 I CA 1.524 62.673 61.300 -0.251 0.000 1.317 279 I CB -1.681 36.009 38.000 -0.517 0.000 1.037 279 I HN 0.436 nan 8.210 nan 0.000 0.398 280 F N 1.966 121.779 119.950 -0.228 0.000 2.115 280 F HA -0.301 4.226 4.527 -0.000 0.000 0.300 280 F C 2.490 178.169 175.800 -0.202 0.000 1.092 280 F CA 1.958 59.841 58.000 -0.196 0.000 1.245 280 F CB -0.406 38.487 39.000 -0.179 0.000 0.995 280 F HN 0.082 nan 8.300 nan 0.000 0.481 281 A N -0.566 122.191 122.820 -0.106 0.000 1.902 281 A HA -0.215 4.105 4.320 -0.000 0.000 0.217 281 A C 1.976 179.483 177.584 -0.129 0.000 1.181 281 A CA 1.919 53.859 52.037 -0.161 0.000 0.623 281 A CB -1.165 17.849 19.000 0.023 0.000 0.818 281 A HN 0.479 nan 8.150 nan 0.000 0.443 282 D N -0.121 120.254 120.400 -0.041 0.000 2.097 282 D HA -0.131 4.509 4.640 -0.000 0.000 0.195 282 D C 1.291 177.497 176.300 -0.157 0.000 0.989 282 D CA 1.589 55.539 54.000 -0.084 0.000 0.827 282 D CB -0.265 40.475 40.800 -0.100 0.000 0.966 282 D HN 0.409 nan 8.370 nan 0.000 0.456 283 D N -0.361 119.915 120.400 -0.207 0.000 2.117 283 D HA -0.090 4.550 4.640 -0.000 0.000 0.197 283 D C 1.271 177.405 176.300 -0.276 0.000 0.987 283 D CA 0.873 54.744 54.000 -0.215 0.000 0.829 283 D CB -0.209 40.462 40.800 -0.214 0.000 0.961 283 D HN 0.235 nan 8.370 nan 0.000 0.460 284 N N 0.690 119.105 118.700 -0.476 0.000 2.322 284 N HA -0.010 4.730 4.740 -0.000 0.000 0.194 284 N C -0.501 174.806 175.510 -0.338 0.000 1.126 284 N CA 0.207 52.938 53.050 -0.531 0.000 0.845 284 N CB 0.400 38.149 38.487 -1.231 0.000 0.976 284 N HN 0.285 nan 8.380 nan 0.000 0.475 285 E N 0.216 120.282 120.200 -0.223 0.000 2.476 285 E HA -0.199 4.150 4.350 -0.000 0.000 0.251 285 E C -0.602 175.944 176.600 -0.089 0.000 1.130 285 E CA 0.361 56.694 56.400 -0.111 0.000 0.736 285 E CB -1.729 27.933 29.700 -0.064 0.000 1.298 285 E HN 0.466 nan 8.360 nan 0.000 0.400 286 I N 0.993 121.473 120.570 -0.149 0.000 2.325 286 I HA 0.233 4.403 4.170 -0.000 0.000 0.291 286 I C -2.004 174.119 176.117 0.010 0.000 1.019 286 I CA -2.203 59.039 61.300 -0.097 0.000 1.302 286 I CB 0.551 38.428 38.000 -0.206 0.000 1.401 286 I HN -0.210 nan 8.210 nan 0.000 0.485 287 P HA 0.340 nan 4.420 nan 0.000 0.271 287 P C -0.817 176.455 177.300 -0.047 0.000 1.216 287 P CA 0.032 63.182 63.100 0.082 0.000 0.771 287 P CB 0.711 32.443 31.700 0.053 0.000 0.864 288 L N 3.877 124.997 121.223 -0.171 0.000 2.409 288 L HA 0.469 4.808 4.340 -0.000 0.000 0.255 288 L C -2.360 174.288 176.870 -0.371 0.000 1.027 288 L CA -2.333 52.221 54.840 -0.476 0.000 0.834 288 L CB 3.024 44.491 42.059 -0.987 0.000 1.426 288 L HN 0.184 nan 8.230 nan 0.000 0.411 289 P HA 0.135 nan 4.420 nan 0.000 0.225 289 P C -0.518 176.843 177.300 0.101 0.000 1.813 289 P CA -0.228 62.882 63.100 0.016 0.000 1.013 289 P CB -0.643 31.041 31.700 -0.026 0.000 1.961 290 F N 1.651 121.682 119.950 0.135 0.000 2.608 290 F HA 0.115 4.642 4.527 -0.000 0.000 0.380 290 F C 1.527 177.400 175.800 0.121 0.000 1.083 290 F CA 0.004 58.065 58.000 0.102 0.000 1.266 290 F CB 0.337 39.370 39.000 0.054 0.000 1.076 290 F HN 0.236 nan 8.300 nan 0.000 0.574 291 A N 3.147 126.129 122.820 0.271 0.000 2.302 291 A HA 0.553 4.873 4.320 -0.000 0.000 0.295 291 A C 0.147 177.838 177.584 0.178 0.000 1.235 291 A CA -0.273 51.805 52.037 0.068 0.000 0.876 291 A CB -0.142 19.009 19.000 0.253 0.000 1.133 291 A HN 0.763 nan 8.150 nan 0.000 0.533 292 T N 0.439 114.967 114.554 -0.043 0.000 2.932 292 T HA 0.758 5.108 4.350 -0.000 0.000 0.289 292 T C -0.672 173.854 174.700 -0.290 0.000 1.039 292 T CA -0.698 61.365 62.100 -0.060 0.000 1.024 292 T CB 1.731 70.567 68.868 -0.053 0.000 1.090 292 T HN 0.801 nan 8.240 nan 0.000 0.496 293 Q N 0.873 120.424 119.800 -0.415 0.000 2.378 293 Q HA 0.308 4.648 4.340 -0.000 0.000 0.262 293 Q C -1.761 174.032 176.000 -0.344 0.000 0.978 293 Q CA -0.543 54.961 55.803 -0.498 0.000 0.918 293 Q CB 2.538 30.683 28.738 -0.988 0.000 1.415 293 Q HN 0.869 nan 8.270 nan 0.000 0.409 294 D N 0.324 120.597 120.400 -0.211 0.000 2.425 294 D HA 0.252 4.892 4.640 -0.000 0.000 0.274 294 D C -0.858 175.375 176.300 -0.112 0.000 1.242 294 D CA 0.125 54.032 54.000 -0.156 0.000 1.060 294 D CB 0.565 41.346 40.800 -0.032 0.000 1.112 294 D HN 0.341 nan 8.370 nan 0.000 0.561 295 Y N 0.138 120.452 120.300 0.023 0.000 2.326 295 Y HA 0.250 4.800 4.550 -0.000 0.000 0.333 295 Y C -1.401 174.556 175.900 0.094 0.000 1.240 295 Y CA -1.458 56.710 58.100 0.113 0.000 1.365 295 Y CB 0.138 38.564 38.460 -0.056 0.000 1.289 295 Y HN 0.243 nan 8.280 nan 0.000 0.548 296 P HA 0.013 nan 4.420 nan 0.000 0.274 296 P C 0.351 177.715 177.300 0.107 0.000 1.256 296 P CA -0.119 63.067 63.100 0.143 0.000 0.795 296 P CB 0.905 32.675 31.700 0.117 0.000 1.038 297 T N -0.222 114.366 114.554 0.057 0.000 2.721 297 T HA -0.157 4.192 4.350 -0.000 0.000 0.268 297 T C 1.041 175.762 174.700 0.035 0.000 1.038 297 T CA 1.478 63.600 62.100 0.037 0.000 1.145 297 T CB -0.296 68.584 68.868 0.021 0.000 0.858 297 T HN 0.634 nan 8.240 nan 0.000 0.459 298 R N -0.256 120.271 120.500 0.045 0.000 2.741 298 R HA 0.558 4.898 4.340 -0.000 0.000 0.276 298 R C -2.023 174.309 176.300 0.053 0.000 1.028 298 R CA -0.926 55.196 56.100 0.037 0.000 0.865 298 R CB 1.020 31.335 30.300 0.024 0.000 1.268 298 R HN -0.140 nan 8.270 nan 0.000 0.475 299 E N 0.404 120.632 120.200 0.046 0.000 2.313 299 E HA 0.468 4.818 4.350 -0.000 0.000 0.272 299 E C -1.157 175.467 176.600 0.041 0.000 1.038 299 E CA -0.498 55.935 56.400 0.056 0.000 0.863 299 E CB 1.805 31.534 29.700 0.047 0.000 1.060 299 E HN 0.390 nan 8.360 nan 0.000 0.402 300 V N 2.362 122.300 119.914 0.041 0.000 2.569 300 V HA 0.636 4.756 4.120 -0.000 0.000 0.301 300 V C -0.382 175.731 176.094 0.032 0.000 1.044 300 V CA -1.024 61.297 62.300 0.035 0.000 0.874 300 V CB 1.622 33.468 31.823 0.037 0.000 1.002 300 V HN 0.787 nan 8.190 nan 0.000 0.424 301 A N 3.365 126.202 122.820 0.028 0.000 2.304 301 A HA 0.979 5.298 4.320 -0.000 0.000 0.301 301 A C 0.631 178.230 177.584 0.025 0.000 1.132 301 A CA 0.369 52.420 52.037 0.024 0.000 0.819 301 A CB 0.853 19.865 19.000 0.020 0.000 1.094 301 A HN 2.320 nan 8.150 nan 0.000 0.492 302 G N 0.467 109.279 108.800 0.021 0.000 2.612 302 G HA2 0.143 4.102 3.960 -0.000 0.000 0.686 302 G HA3 0.143 4.102 3.960 -0.000 0.000 0.686 302 G C -0.698 174.215 174.900 0.023 0.000 1.274 302 G CA 0.053 45.166 45.100 0.021 0.000 0.849 302 G HN 0.692 nan 8.290 nan 0.000 0.595 303 D N -0.071 120.342 120.400 0.022 0.000 2.582 303 D HA 0.290 4.930 4.640 -0.000 0.000 0.246 303 D C 1.501 177.820 176.300 0.031 0.000 1.334 303 D CA 0.823 54.837 54.000 0.024 0.000 0.805 303 D CB 0.567 41.376 40.800 0.014 0.000 1.087 303 D HN 0.841 nan 8.370 nan 0.000 0.499 304 T N -2.128 112.446 114.554 0.034 0.000 2.754 304 T HA 0.260 4.610 4.350 -0.000 0.000 0.286 304 T C 1.948 176.683 174.700 0.057 0.000 0.997 304 T CA -0.552 61.570 62.100 0.036 0.000 0.982 304 T CB 0.952 69.837 68.868 0.028 0.000 1.027 304 T HN -0.103 nan 8.240 nan 0.000 0.529 305 L N 0.562 121.819 121.223 0.056 0.000 1.994 305 L HA 0.022 4.362 4.340 -0.000 0.000 0.208 305 L C -0.401 176.546 176.870 0.128 0.000 1.071 305 L CA 1.160 56.055 54.840 0.091 0.000 0.745 305 L CB -1.884 40.204 42.059 0.049 0.000 0.892 305 L HN 0.505 nan 8.230 nan 0.000 0.431 306 P HA -0.134 nan 4.420 nan 0.000 0.220 306 P C 0.368 177.753 177.300 0.141 0.000 1.144 306 P CA 1.211 64.357 63.100 0.076 0.000 0.800 306 P CB -0.024 31.683 31.700 0.012 0.000 0.772 310 A N 1.718 124.657 122.820 0.198 0.000 1.873 310 A HA -0.160 4.160 4.320 -0.000 0.000 0.215 310 A C 1.744 179.327 177.584 -0.002 0.000 1.186 310 A CA 2.384 54.477 52.037 0.095 0.000 0.616 310 A CB -0.942 18.129 19.000 0.119 0.000 0.823 310 A HN 0.225 nan 8.150 nan 0.000 0.442 311 R N 0.025 120.530 120.500 0.009 0.000 2.113 311 R HA -0.195 4.144 4.340 -0.000 0.000 0.244 311 R C 2.317 178.579 176.300 -0.062 0.000 1.142 311 R CA 2.275 58.365 56.100 -0.016 0.000 0.953 311 R CB -0.497 29.798 30.300 -0.008 0.000 0.860 311 R HN 0.571 nan 8.270 nan 0.000 0.438 312 R N 0.162 120.592 120.500 -0.117 0.000 2.092 312 R HA -0.071 4.269 4.340 -0.000 0.000 0.231 312 R C 1.648 177.843 176.300 -0.175 0.000 1.119 312 R CA 1.717 57.716 56.100 -0.169 0.000 0.970 312 R CB -0.016 30.125 30.300 -0.266 0.000 0.864 312 R HN 0.181 nan 8.270 nan 0.000 0.440 313 K N -0.493 119.790 120.400 -0.195 0.000 2.288 313 K HA -0.049 4.271 4.320 -0.000 0.000 0.201 313 K C 1.832 178.389 176.600 -0.072 0.000 1.048 313 K CA 1.564 57.763 56.287 -0.146 0.000 0.956 313 K CB 0.193 32.614 32.500 -0.131 0.000 0.746 313 K HN 0.386 nan 8.250 nan 0.000 0.461 314 T N -0.682 113.842 114.554 -0.051 0.000 3.043 314 T HA 0.075 4.425 4.350 -0.000 0.000 0.263 314 T C 0.974 175.664 174.700 -0.015 0.000 1.094 314 T CA -0.144 61.945 62.100 -0.018 0.000 1.127 314 T CB -0.304 68.566 68.868 0.003 0.000 0.905 314 T HN -0.023 nan 8.240 nan 0.000 0.490 315 L N 2.129 123.330 121.223 -0.036 0.000 2.667 315 L HA 0.175 4.515 4.340 -0.000 0.000 0.296 315 L C 1.040 177.892 176.870 -0.030 0.000 1.252 315 L CA -0.342 54.476 54.840 -0.037 0.000 0.891 315 L CB -0.122 41.905 42.059 -0.054 0.000 1.141 315 L HN 0.389 nan 8.230 nan 0.000 0.501 316 A N 5.366 128.167 122.820 -0.032 0.000 2.304 316 A HA 0.427 4.747 4.320 -0.000 0.000 0.271 316 A C 0.325 177.868 177.584 -0.068 0.000 1.091 316 A CA -0.470 51.545 52.037 -0.037 0.000 0.812 316 A CB 0.465 19.445 19.000 -0.033 0.000 1.056 316 A HN 0.808 nan 8.150 nan 0.000 0.489 317 R N -0.388 120.077 120.500 -0.059 0.000 2.738 317 R HA 0.289 4.629 4.340 -0.000 0.000 0.268 317 R C -0.525 175.705 176.300 -0.116 0.000 1.062 317 R CA 0.427 56.490 56.100 -0.062 0.000 1.158 317 R CB 0.357 30.636 30.300 -0.035 0.000 1.046 317 R HN 0.698 nan 8.270 nan 0.000 0.493 318 T N 3.531 118.017 114.554 -0.113 0.000 2.756 318 T HA 0.332 4.681 4.350 -0.000 0.000 0.290 318 T C -0.503 174.028 174.700 -0.281 0.000 0.985 318 T CA -0.512 61.455 62.100 -0.222 0.000 0.955 318 T CB 0.599 69.360 68.868 -0.177 0.000 0.930 318 T HN 0.390 nan 8.240 nan 0.000 0.451 319 R N 2.318 122.637 120.500 -0.302 0.000 2.338 319 R HA 0.502 4.842 4.340 -0.000 0.000 0.317 319 R C -0.967 175.151 176.300 -0.304 0.000 0.968 319 R CA -0.587 55.392 56.100 -0.201 0.000 0.849 319 R CB 1.095 31.348 30.300 -0.077 0.000 1.128 319 R HN 0.450 nan 8.270 nan 0.000 0.448 320 F N 2.596 122.592 119.950 0.078 0.000 2.410 320 F HA 0.282 4.808 4.527 -0.000 0.000 0.349 320 F C 0.396 176.252 175.800 0.094 0.000 1.117 320 F CA -0.268 57.788 58.000 0.092 0.000 1.104 320 F CB 1.444 40.486 39.000 0.071 0.000 1.122 320 F HN 0.378 nan 8.300 nan 0.000 0.483 321 Q N 3.200 123.163 119.800 0.272 0.000 2.418 321 Q HA 0.448 4.788 4.340 -0.000 0.000 0.282 321 Q C -2.766 173.418 176.000 0.306 0.000 1.044 321 Q CA -2.212 53.724 55.803 0.221 0.000 0.813 321 Q CB 2.160 30.982 28.738 0.139 0.000 1.428 321 Q HN 0.145 nan 8.270 nan 0.000 0.402 322 P HA -0.174 nan 4.420 nan 0.000 0.219 322 P C -0.089 177.438 177.300 0.379 0.000 1.146 322 P CA 1.483 64.734 63.100 0.252 0.000 0.808 322 P CB 0.210 31.984 31.700 0.124 0.000 0.779 323 S N -1.713 114.100 115.700 0.190 0.000 2.501 323 S HA 0.546 5.016 4.470 -0.000 0.000 0.301 323 S C -2.742 171.607 174.600 -0.418 0.000 1.096 323 S CA -2.119 56.023 58.200 -0.097 0.000 1.063 323 S CB 1.394 64.543 63.200 -0.085 0.000 1.042 323 S HN -0.136 nan 8.310 nan 0.000 0.494 324 P HA 0.407 nan 4.420 nan 0.000 0.269 324 P C 0.086 177.174 177.300 -0.353 0.000 1.217 324 P CA 0.131 62.612 63.100 -1.033 0.000 0.783 324 P CB 0.380 31.491 31.700 -0.983 0.000 0.898 325 G N 0.759 109.456 108.800 -0.171 0.000 2.702 325 G HA2 0.442 4.401 3.960 -0.000 0.000 0.296 325 G HA3 0.442 4.401 3.960 -0.000 0.000 0.296 325 G C -3.280 171.623 174.900 0.005 0.000 1.463 325 G CA -1.044 44.015 45.100 -0.068 0.000 0.890 325 G HN 0.315 nan 8.290 nan 0.000 0.534 326 P HA 0.055 nan 4.420 nan 0.000 0.269 326 P C -0.976 176.341 177.300 0.028 0.000 1.211 326 P CA 0.162 63.273 63.100 0.018 0.000 0.781 326 P CB 0.820 32.495 31.700 -0.041 0.000 0.877 327 H N 1.041 120.092 119.070 -0.032 0.000 3.036 327 H HA 0.093 4.649 4.556 -0.000 0.000 0.295 327 H C 0.924 176.208 175.328 -0.073 0.000 1.124 327 H CA -0.260 55.758 56.048 -0.051 0.000 1.507 327 H CB 0.064 29.817 29.762 -0.015 0.000 1.591 327 H HN 0.628 nan 8.280 nan 0.000 0.510 328 H N 2.951 121.904 119.070 -0.195 0.000 2.353 328 H HA -0.056 4.500 4.556 -0.000 0.000 0.300 328 H C 1.002 176.320 175.328 -0.017 0.000 1.090 328 H CA 0.963 56.894 56.048 -0.196 0.000 1.327 328 H CB 0.435 29.922 29.762 -0.458 0.000 1.383 328 H HN 0.717 nan 8.280 nan 0.000 0.508 332 L N 0.368 121.597 121.223 0.010 0.000 2.401 332 L HA 0.603 4.943 4.340 -0.000 0.000 0.266 332 L C 0.395 177.344 176.870 0.132 0.000 0.991 332 L CA -0.634 54.242 54.840 0.060 0.000 0.818 332 L CB 2.031 44.131 42.059 0.069 0.000 1.321 332 L HN 0.022 nan 8.230 nan 0.000 0.413 333 D N 1.662 122.164 120.400 0.169 0.000 2.162 333 D HA 0.086 4.726 4.640 -0.000 0.000 0.203 333 D C 0.234 176.621 176.300 0.145 0.000 0.967 333 D CA 1.293 55.373 54.000 0.133 0.000 0.840 333 D CB 0.321 41.197 40.800 0.126 0.000 0.972 333 D HN 0.429 nan 8.370 nan 0.000 0.482 334 L N -3.600 117.767 121.223 0.240 0.000 2.469 334 L HA 0.731 5.071 4.340 -0.000 0.000 0.256 334 L C -1.406 175.718 176.870 0.423 0.000 1.006 334 L CA -1.221 53.759 54.840 0.234 0.000 0.832 334 L CB 2.508 44.624 42.059 0.095 0.000 1.421 334 L HN -0.152 nan 8.230 nan 0.000 0.410 335 Y N 0.893 121.356 120.300 0.272 0.000 2.662 335 Y HA 0.780 5.329 4.550 -0.000 0.000 0.334 335 Y C -1.833 174.209 175.900 0.237 0.000 1.185 335 Y CA -0.133 58.109 58.100 0.237 0.000 1.074 335 Y CB 1.747 40.300 38.460 0.155 0.000 1.330 335 Y HN 1.175 nan 8.280 nan 0.000 0.458 336 A N 3.600 125.962 122.820 -0.763 0.000 2.594 336 A HA 0.649 4.969 4.320 -0.000 0.000 0.295 336 A C -1.984 175.079 177.584 -0.868 0.000 1.071 336 A CA -0.991 50.688 52.037 -0.595 0.000 0.685 336 A CB 1.834 20.610 19.000 -0.374 0.000 1.285 336 A HN 0.657 nan 8.150 nan 0.000 0.405 337 Q N 0.655 120.202 119.800 -0.420 0.000 2.322 337 Q HA 0.558 4.898 4.340 -0.000 0.000 0.256 337 Q C 0.321 176.216 176.000 -0.176 0.000 0.960 337 Q CA 0.067 55.731 55.803 -0.232 0.000 0.934 337 Q CB 1.596 30.321 28.738 -0.021 0.000 1.200 337 Q HN 0.900 nan 8.270 nan 0.000 0.435 338 A N 1.687 124.432 122.820 -0.124 0.000 2.585 338 A HA 0.078 4.398 4.320 -0.000 0.000 0.266 338 A C 1.191 178.758 177.584 -0.027 0.000 1.178 338 A CA -0.100 51.884 52.037 -0.088 0.000 0.966 338 A CB 0.373 19.373 19.000 0.001 0.000 1.170 338 A HN 0.701 nan 8.150 nan 0.000 0.558 339 T N -3.111 111.440 114.554 -0.005 0.000 3.069 339 T HA 0.202 4.552 4.350 -0.000 0.000 0.252 339 T C 0.530 175.243 174.700 0.022 0.000 1.053 339 T CA 0.674 62.803 62.100 0.049 0.000 0.964 339 T CB 0.013 68.932 68.868 0.085 0.000 1.005 339 T HN 0.084 nan 8.240 nan 0.000 0.532 340 S N 3.254 118.931 115.700 -0.039 0.000 2.327 340 S HA 0.372 4.842 4.470 -0.000 0.000 0.203 340 S C -2.625 171.929 174.600 -0.076 0.000 1.326 340 S CA -1.010 57.180 58.200 -0.017 0.000 1.248 340 S CB 0.926 64.141 63.200 0.026 0.000 1.199 340 S HN 0.418 nan 8.310 nan 0.000 0.422 344 R N 0.732 121.258 120.500 0.045 0.000 2.480 344 R HA 0.264 4.604 4.340 -0.000 0.000 0.306 344 R C -0.590 175.712 176.300 0.003 0.000 0.958 344 R CA -0.787 55.330 56.100 0.030 0.000 0.861 344 R CB 1.462 31.764 30.300 0.003 0.000 1.171 344 R HN -0.075 nan 8.270 nan 0.000 0.445 345 Y N 2.979 123.229 120.300 -0.084 0.000 2.145 345 Y HA -0.185 4.365 4.550 -0.000 0.000 0.286 345 Y C 1.821 177.648 175.900 -0.123 0.000 1.145 345 Y CA 1.781 59.824 58.100 -0.096 0.000 1.148 345 Y CB -0.015 38.390 38.460 -0.092 0.000 0.981 345 Y HN 0.569 nan 8.280 nan 0.000 0.507 346 L N -0.246 120.843 121.223 -0.223 0.000 2.081 346 L HA -0.283 4.057 4.340 -0.000 0.000 0.212 346 L C 1.871 178.552 176.870 -0.316 0.000 1.080 346 L CA 1.824 56.471 54.840 -0.322 0.000 0.754 346 L CB -0.655 41.161 42.059 -0.405 0.000 0.893 346 L HN 0.191 nan 8.230 nan 0.000 0.433 347 D N -0.172 120.067 120.400 -0.268 0.000 2.144 347 D HA -0.177 4.463 4.640 -0.000 0.000 0.200 347 D C 1.959 178.024 176.300 -0.392 0.000 0.978 347 D CA 0.773 54.598 54.000 -0.292 0.000 0.833 347 D CB -0.162 40.496 40.800 -0.236 0.000 0.961 347 D HN 0.109 nan 8.370 nan 0.000 0.470 348 L N 0.553 121.554 121.223 -0.369 0.000 2.046 348 L HA -0.117 4.222 4.340 -0.000 0.000 0.208 348 L C 1.938 178.632 176.870 -0.293 0.000 1.077 348 L CA 1.407 56.050 54.840 -0.328 0.000 0.747 348 L CB -0.547 41.326 42.059 -0.309 0.000 0.896 348 L HN -0.054 nan 8.230 nan 0.000 0.432 349 V N -0.994 118.672 119.914 -0.412 0.000 2.343 349 V HA -0.279 3.841 4.120 -0.000 0.000 0.247 349 V C 2.596 178.602 176.094 -0.146 0.000 1.051 349 V CA 1.589 63.719 62.300 -0.282 0.000 1.036 349 V CB -0.720 30.920 31.823 -0.305 0.000 0.654 349 V HN 0.367 nan 8.190 nan 0.000 0.451 350 V N -0.193 119.622 119.914 -0.164 0.000 2.287 350 V HA -0.336 3.784 4.120 -0.000 0.000 0.248 350 V C 2.266 178.401 176.094 0.069 0.000 1.053 350 V CA 2.431 64.678 62.300 -0.089 0.000 1.027 350 V CB -0.956 30.795 31.823 -0.120 0.000 0.646 350 V HN 0.666 nan 8.190 nan 0.000 0.447 351 H N -0.682 118.343 119.070 -0.074 0.000 2.457 351 H HA -0.123 4.433 4.556 -0.000 0.000 0.294 351 H C 2.492 177.816 175.328 -0.007 0.000 1.064 351 H CA 1.179 57.211 56.048 -0.027 0.000 1.330 351 H CB 0.223 29.975 29.762 -0.017 0.000 1.395 351 H HN 0.550 nan 8.280 nan 0.000 0.541 352 Q N 0.280 120.135 119.800 0.093 0.000 2.083 352 Q HA -0.129 4.211 4.340 -0.000 0.000 0.198 352 Q C 2.268 178.306 176.000 0.063 0.000 0.969 352 Q CA 0.721 56.559 55.803 0.059 0.000 0.838 352 Q CB 0.185 28.936 28.738 0.022 0.000 0.900 352 Q HN 0.464 nan 8.270 nan 0.000 0.436 353 Q N 0.700 120.527 119.800 0.046 0.000 2.016 353 Q HA -0.100 4.240 4.340 -0.000 0.000 0.200 353 Q C 2.313 178.380 176.000 0.111 0.000 0.978 353 Q CA 1.146 56.980 55.803 0.053 0.000 0.833 353 Q CB -0.332 28.404 28.738 -0.003 0.000 0.895 353 Q HN 0.409 nan 8.270 nan 0.000 0.427 354 L N 0.336 121.629 121.223 0.116 0.000 2.012 354 L HA -0.218 4.122 4.340 -0.000 0.000 0.210 354 L C 2.650 179.647 176.870 0.212 0.000 1.073 354 L CA 1.185 56.137 54.840 0.187 0.000 0.748 354 L CB -0.423 41.712 42.059 0.127 0.000 0.891 354 L HN 0.137 nan 8.230 nan 0.000 0.431 355 R N 0.384 120.958 120.500 0.124 0.000 2.081 355 R HA -0.132 4.208 4.340 -0.000 0.000 0.235 355 R C 2.230 178.592 176.300 0.105 0.000 1.131 355 R CA 1.656 57.813 56.100 0.096 0.000 0.960 355 R CB -0.775 29.564 30.300 0.065 0.000 0.856 355 R HN 0.369 nan 8.270 nan 0.000 0.436 356 A N -0.281 122.606 122.820 0.112 0.000 1.865 356 A HA -0.195 4.125 4.320 -0.000 0.000 0.217 356 A C 2.190 179.838 177.584 0.106 0.000 1.191 356 A CA 1.641 53.734 52.037 0.093 0.000 0.623 356 A CB -0.989 18.066 19.000 0.092 0.000 0.826 356 A HN 0.479 nan 8.150 nan 0.000 0.444 357 F N 0.129 120.103 119.950 0.041 0.000 2.075 357 F HA -0.033 4.494 4.527 -0.000 0.000 0.297 357 F C 0.894 176.732 175.800 0.064 0.000 1.113 357 F CA 0.861 58.886 58.000 0.042 0.000 1.218 357 F CB -0.381 38.644 39.000 0.042 0.000 0.984 357 F HN 0.109 nan 8.300 nan 0.000 0.472 358 L N 2.413 123.757 121.223 0.202 0.000 2.985 358 L HA 0.205 4.545 4.340 -0.000 0.000 0.292 358 L C 0.267 177.097 176.870 -0.068 0.000 1.329 358 L CA 0.617 55.513 54.840 0.093 0.000 1.201 358 L CB -1.931 40.237 42.059 0.181 0.000 1.455 358 L HN 0.439 nan 8.230 nan 0.000 0.432 359 A N 2.130 124.811 122.820 -0.233 0.000 1.745 359 A HA 0.358 4.678 4.320 -0.000 0.000 0.374 359 A C 0.701 178.221 177.584 -0.107 0.000 0.861 359 A CA 0.540 52.482 52.037 -0.160 0.000 0.509 359 A CB -1.650 17.303 19.000 -0.078 0.000 2.176 359 A HN 1.910 nan 8.150 nan 0.000 0.304 360 G N 0.867 109.596 108.800 -0.118 0.000 2.320 360 G HA2 0.537 4.496 3.960 -0.000 0.000 0.274 360 G HA3 0.537 4.496 3.960 -0.000 0.000 0.274 360 G C -0.373 174.497 174.900 -0.050 0.000 1.324 360 G CA 0.453 45.516 45.100 -0.062 0.000 0.957 360 G HN 2.046 nan 8.290 nan 0.000 0.481 361 R N 0.745 121.234 120.500 -0.017 0.000 2.840 361 R HA 0.384 4.724 4.340 -0.000 0.000 0.282 361 R C 0.087 176.396 176.300 0.015 0.000 1.133 361 R CA 0.184 56.283 56.100 -0.002 0.000 1.208 361 R CB -0.251 30.053 30.300 0.008 0.000 1.160 361 R HN 0.543 nan 8.270 nan 0.000 0.576 362 D N 1.164 121.579 120.400 0.025 0.000 2.341 362 D HA 0.204 4.844 4.640 -0.000 0.000 0.245 362 D C -1.867 174.464 176.300 0.052 0.000 1.106 362 D CA -0.904 53.123 54.000 0.044 0.000 0.905 362 D CB 0.442 41.263 40.800 0.035 0.000 1.202 362 D HN 0.384 nan 8.370 nan 0.000 0.426 363 P HA 0.171 nan 4.420 nan 0.000 0.312 363 P C -0.068 177.251 177.300 0.032 0.000 1.307 363 P CA -0.485 62.650 63.100 0.059 0.000 0.738 363 P CB 0.582 32.323 31.700 0.069 0.000 1.422 364 L N -0.489 120.742 121.223 0.013 0.000 2.399 364 L HA 0.302 4.642 4.340 -0.000 0.000 0.266 364 L C 0.947 177.807 176.870 -0.017 0.000 1.114 364 L CA -0.564 54.268 54.840 -0.014 0.000 0.804 364 L CB 0.807 42.833 42.059 -0.054 0.000 1.146 364 L HN 0.425 nan 8.230 nan 0.000 0.451 365 S N 0.203 115.888 115.700 -0.024 0.000 2.614 365 S HA 0.117 4.587 4.470 -0.000 0.000 0.265 365 S C 1.017 175.604 174.600 -0.020 0.000 1.303 365 S CA -0.628 57.564 58.200 -0.013 0.000 1.000 365 S CB 1.434 64.628 63.200 -0.009 0.000 0.935 365 S HN 0.581 nan 8.310 nan 0.000 0.551 366 S N 0.734 116.435 115.700 0.002 0.000 2.440 366 S HA -0.094 4.376 4.470 -0.000 0.000 0.238 366 S C 1.788 176.386 174.600 -0.004 0.000 1.010 366 S CA 0.891 59.098 58.200 0.013 0.000 0.972 366 S CB -0.329 62.889 63.200 0.029 0.000 0.774 366 S HN 0.663 nan 8.310 nan 0.000 0.501 367 K N 1.547 121.938 120.400 -0.015 0.000 1.980 367 K HA -0.018 4.301 4.320 -0.000 0.000 0.208 367 K C 1.355 177.925 176.600 -0.050 0.000 1.043 367 K CA 1.074 57.350 56.287 -0.018 0.000 0.938 367 K CB -0.734 31.760 32.500 -0.011 0.000 0.724 367 K HN 0.392 nan 8.250 nan 0.000 0.438 371 A N 0.274 123.106 122.820 0.020 0.000 1.858 371 A HA -0.117 4.203 4.320 -0.000 0.000 0.216 371 A C 1.713 179.411 177.584 0.191 0.000 1.190 371 A CA 1.982 54.066 52.037 0.078 0.000 0.617 371 A CB -1.151 17.886 19.000 0.063 0.000 0.827 371 A HN 0.741 nan 8.150 nan 0.000 0.443 372 H N -0.998 118.109 119.070 0.062 0.000 2.457 372 H HA 0.023 4.578 4.556 -0.000 0.000 0.294 372 H C 1.970 177.358 175.328 0.100 0.000 1.064 372 H CA 0.844 56.950 56.048 0.098 0.000 1.330 372 H CB -0.078 29.778 29.762 0.157 0.000 1.395 372 H HN 0.429 nan 8.280 nan 0.000 0.541 373 I N 0.810 121.490 120.570 0.182 0.000 2.202 373 I HA -0.250 3.920 4.170 -0.000 0.000 0.242 373 I C 2.799 178.970 176.117 0.091 0.000 1.091 373 I CA 0.851 62.213 61.300 0.103 0.000 1.368 373 I CB -0.237 37.824 38.000 0.100 0.000 1.058 373 I HN 0.278 nan 8.210 nan 0.000 0.410 374 A N 0.340 123.218 122.820 0.097 0.000 1.858 374 A HA -0.284 4.036 4.320 -0.000 0.000 0.216 374 A C 2.286 179.901 177.584 0.052 0.000 1.190 374 A CA 2.035 54.117 52.037 0.075 0.000 0.617 374 A CB -0.776 18.266 19.000 0.070 0.000 0.827 374 A HN 0.475 nan 8.150 nan 0.000 0.443 375 E N 0.264 120.496 120.200 0.053 0.000 2.085 375 E HA -0.216 4.134 4.350 -0.000 0.000 0.194 375 E C 2.228 178.802 176.600 -0.044 0.000 0.994 375 E CA 1.990 58.392 56.400 0.005 0.000 0.801 375 E CB -0.135 29.564 29.700 -0.001 0.000 0.743 375 E HN 0.755 nan 8.360 nan 0.000 0.453 376 S N 0.121 115.797 115.700 -0.040 0.000 2.357 376 S HA -0.107 4.363 4.470 -0.000 0.000 0.221 376 S C 1.250 175.825 174.600 -0.041 0.000 1.031 376 S CA 0.075 58.219 58.200 -0.094 0.000 0.982 376 S CB -0.258 62.937 63.200 -0.008 0.000 0.853 376 S HN 0.123 nan 8.310 nan 0.000 0.458 380 A N 1.402 124.209 122.820 -0.021 0.000 1.930 380 A HA -0.086 4.234 4.320 -0.000 0.000 0.217 380 A C 1.652 179.246 177.584 0.016 0.000 1.175 380 A CA 1.761 53.798 52.037 -0.001 0.000 0.627 380 A CB -0.309 18.695 19.000 0.006 0.000 0.815 380 A HN 0.160 nan 8.150 nan 0.000 0.443 381 D N 0.365 120.776 120.400 0.019 0.000 2.084 381 D HA -0.094 4.545 4.640 -0.000 0.000 0.194 381 D C 2.303 178.616 176.300 0.022 0.000 0.990 381 D CA 1.649 55.665 54.000 0.027 0.000 0.826 381 D CB -0.526 40.290 40.800 0.028 0.000 0.971 381 D HN 0.402 nan 8.370 nan 0.000 0.453 382 A N 0.572 123.401 122.820 0.014 0.000 1.865 382 A HA -0.196 4.124 4.320 -0.000 0.000 0.217 382 A C 2.414 180.009 177.584 0.018 0.000 1.191 382 A CA 2.502 54.549 52.037 0.016 0.000 0.623 382 A CB -1.101 17.902 19.000 0.006 0.000 0.826 382 A HN 0.236 nan 8.150 nan 0.000 0.444 383 T N -0.284 114.276 114.554 0.009 0.000 2.665 383 T HA -0.192 4.158 4.350 -0.000 0.000 0.268 383 T C 2.070 176.787 174.700 0.028 0.000 1.035 383 T CA 1.890 63.995 62.100 0.010 0.000 1.151 383 T CB -0.263 68.603 68.868 -0.004 0.000 0.862 383 T HN 0.526 nan 8.240 nan 0.000 0.438 384 R N 0.499 121.020 120.500 0.034 0.000 2.092 384 R HA -0.054 4.286 4.340 -0.000 0.000 0.231 384 R C 2.675 178.996 176.300 0.036 0.000 1.119 384 R CA 1.121 57.247 56.100 0.044 0.000 0.970 384 R CB -0.238 30.089 30.300 0.046 0.000 0.864 384 R HN 0.257 nan 8.270 nan 0.000 0.440 385 Q N 0.653 120.470 119.800 0.029 0.000 2.084 385 Q HA -0.070 4.269 4.340 -0.000 0.000 0.202 385 Q C 1.921 177.937 176.000 0.026 0.000 0.978 385 Q CA 1.951 57.767 55.803 0.022 0.000 0.844 385 Q CB -0.261 28.492 28.738 0.025 0.000 0.898 385 Q HN 0.333 nan 8.270 nan 0.000 0.426 386 A N 0.390 123.238 122.820 0.046 0.000 1.908 386 A HA -0.260 4.060 4.320 -0.000 0.000 0.218 386 A C 1.971 179.592 177.584 0.063 0.000 1.181 386 A CA 1.834 53.915 52.037 0.073 0.000 0.627 386 A CB -0.653 18.386 19.000 0.064 0.000 0.818 386 A HN 0.567 nan 8.150 nan 0.000 0.445 387 E N -0.624 119.609 120.200 0.055 0.000 2.051 387 E HA -0.197 4.153 4.350 -0.000 0.000 0.192 387 E C 2.387 179.013 176.600 0.043 0.000 0.991 387 E CA 1.239 57.678 56.400 0.066 0.000 0.799 387 E CB -0.168 29.582 29.700 0.084 0.000 0.748 387 E HN 0.579 nan 8.360 nan 0.000 0.449 388 R N 0.533 121.044 120.500 0.018 0.000 2.073 388 R HA -0.118 4.222 4.340 -0.000 0.000 0.234 388 R C 2.538 178.807 176.300 -0.052 0.000 1.134 388 R CA 1.128 57.224 56.100 -0.007 0.000 0.952 388 R CB -0.483 29.808 30.300 -0.016 0.000 0.850 388 R HN 0.175 nan 8.270 nan 0.000 0.433 389 L N 0.350 121.503 121.223 -0.116 0.000 2.131 389 L HA -0.165 4.175 4.340 -0.000 0.000 0.210 389 L C 2.270 178.917 176.870 -0.371 0.000 1.092 389 L CA 1.121 55.754 54.840 -0.346 0.000 0.759 389 L CB -0.310 41.455 42.059 -0.491 0.000 0.903 389 L HN 0.177 nan 8.230 nan 0.000 0.435 390 S N -0.685 114.963 115.700 -0.086 0.000 2.425 390 S HA -0.033 4.437 4.470 -0.000 0.000 0.225 390 S C 1.995 176.672 174.600 0.129 0.000 1.024 390 S CA 0.586 58.825 58.200 0.065 0.000 0.951 390 S CB -0.023 63.268 63.200 0.153 0.000 0.796 390 S HN 0.357 nan 8.310 nan 0.000 0.498 391 R N 0.980 121.541 120.500 0.101 0.000 2.115 391 R HA 0.118 4.458 4.340 -0.000 0.000 0.230 391 R C 2.506 178.872 176.300 0.109 0.000 1.111 391 R CA 0.709 56.880 56.100 0.118 0.000 0.976 391 R CB -0.110 30.230 30.300 0.066 0.000 0.870 391 R HN 0.196 nan 8.270 nan 0.000 0.445 392 R N -0.203 120.336 120.500 0.065 0.000 2.062 392 R HA -0.116 4.224 4.340 -0.000 0.000 0.229 392 R C 2.241 178.584 176.300 0.073 0.000 1.128 392 R CA 1.203 57.355 56.100 0.086 0.000 0.960 392 R CB -0.375 29.937 30.300 0.020 0.000 0.855 392 R HN 0.370 nan 8.270 nan 0.000 0.432 393 H N 0.305 119.330 119.070 -0.074 0.000 2.265 393 H HA -0.174 4.382 4.556 -0.000 0.000 0.295 393 H C 1.801 177.073 175.328 -0.094 0.000 1.084 393 H CA 1.908 57.910 56.048 -0.077 0.000 1.261 393 H CB -0.110 29.616 29.762 -0.060 0.000 1.360 393 H HN 0.325 nan 8.280 nan 0.000 0.487 394 H N -0.443 118.802 119.070 0.292 0.000 2.423 394 H HA -0.050 4.506 4.556 -0.000 0.000 0.297 394 H C 2.193 177.567 175.328 0.077 0.000 1.075 394 H CA 1.491 57.654 56.048 0.191 0.000 1.342 394 H CB -0.320 29.527 29.762 0.142 0.000 1.395 394 H HN 0.371 nan 8.280 nan 0.000 0.530 395 T N 1.576 116.203 114.554 0.122 0.000 2.788 395 T HA -0.066 4.284 4.350 -0.000 0.000 0.268 395 T C 2.413 177.040 174.700 -0.122 0.000 1.044 395 T CA 0.504 62.600 62.100 -0.006 0.000 1.139 395 T CB -0.205 68.632 68.868 -0.051 0.000 0.867 395 T HN 0.200 nan 8.240 nan 0.000 0.454 396 L N 0.340 121.472 121.223 -0.151 0.000 2.046 396 L HA -0.103 4.237 4.340 -0.000 0.000 0.208 396 L C 2.889 179.669 176.870 -0.149 0.000 1.077 396 L CA 1.417 56.110 54.840 -0.244 0.000 0.747 396 L CB -0.448 41.488 42.059 -0.204 0.000 0.896 396 L HN 0.199 nan 8.230 nan 0.000 0.432 397 R N -0.758 119.721 120.500 -0.036 0.000 2.080 397 R HA -0.228 4.112 4.340 -0.000 0.000 0.236 397 R C 2.273 178.628 176.300 0.091 0.000 1.137 397 R CA 1.895 58.021 56.100 0.044 0.000 0.943 397 R CB -0.658 29.739 30.300 0.161 0.000 0.846 397 R HN 0.149 nan 8.270 nan 0.000 0.431 398 F N 1.687 121.626 119.950 -0.019 0.000 2.065 398 F HA -0.239 4.287 4.527 -0.000 0.000 0.298 398 F C 2.067 177.861 175.800 -0.010 0.000 1.112 398 F CA 1.488 59.493 58.000 0.010 0.000 1.212 398 F CB -0.394 38.609 39.000 0.005 0.000 0.975 398 F HN -0.073 nan 8.300 nan 0.000 0.476 399 I N 0.099 120.577 120.570 -0.152 0.000 2.194 399 I HA -0.369 3.801 4.170 -0.000 0.000 0.246 399 I C 2.626 178.646 176.117 -0.161 0.000 1.093 399 I CA 1.404 62.520 61.300 -0.307 0.000 1.355 399 I CB -0.979 36.612 38.000 -0.682 0.000 1.046 399 I HN 0.254 nan 8.210 nan 0.000 0.413 400 A N 0.570 123.310 122.820 -0.133 0.000 2.019 400 A HA -0.033 4.287 4.320 -0.000 0.000 0.219 400 A C 2.253 179.813 177.584 -0.041 0.000 1.164 400 A CA 1.488 53.485 52.037 -0.067 0.000 0.644 400 A CB -0.605 18.362 19.000 -0.056 0.000 0.805 400 A HN 0.434 nan 8.150 nan 0.000 0.449 401 A N -1.365 121.419 122.820 -0.060 0.000 2.265 401 A HA 0.275 4.595 4.320 -0.000 0.000 0.213 401 A C 0.764 178.299 177.584 -0.083 0.000 1.255 401 A CA 0.331 52.338 52.037 -0.051 0.000 0.862 401 A CB -0.301 18.684 19.000 -0.026 0.000 0.852 401 A HN 0.559 nan 8.150 nan 0.000 0.484 402 Q N -1.362 118.397 119.800 -0.068 0.000 3.112 402 Q HA 0.104 4.444 4.340 -0.000 0.000 0.300 402 Q C -2.232 173.783 176.000 0.024 0.000 0.760 402 Q CA -1.283 54.488 55.803 -0.053 0.000 0.979 402 Q CB 1.061 29.735 28.738 -0.107 0.000 1.512 402 Q HN 0.208 nan 8.270 nan 0.000 0.378 403 P HA -0.312 nan 4.420 nan 0.000 0.217 403 P C 1.341 178.678 177.300 0.062 0.000 1.162 403 P CA 1.717 64.847 63.100 0.051 0.000 0.901 403 P CB 0.289 32.004 31.700 0.025 0.000 0.793 404 E N 0.466 120.677 120.200 0.019 0.000 2.107 404 E HA -0.150 4.200 4.350 -0.000 0.000 0.191 404 E C 1.079 177.664 176.600 -0.025 0.000 0.982 404 E CA 0.646 57.046 56.400 -0.001 0.000 0.809 404 E CB -1.255 28.431 29.700 -0.023 0.000 0.756 404 E HN 0.168 nan 8.360 nan 0.000 0.459 405 R N 1.002 121.458 120.500 -0.072 0.000 2.587 405 R HA 0.037 4.377 4.340 -0.000 0.000 0.268 405 R C -0.769 175.397 176.300 -0.223 0.000 0.978 405 R CA 0.193 56.160 56.100 -0.222 0.000 1.097 405 R CB 0.397 30.464 30.300 -0.387 0.000 0.917 405 R HN -0.006 nan 8.270 nan 0.000 0.414 406 V N 5.545 125.265 119.914 -0.322 0.000 2.459 406 V HA 0.357 4.477 4.120 -0.000 0.000 0.295 406 V C -0.742 175.163 176.094 -0.316 0.000 1.029 406 V CA -0.526 61.663 62.300 -0.184 0.000 0.874 406 V CB 1.217 32.981 31.823 -0.099 0.000 0.985 406 V HN 0.721 nan 8.190 nan 0.000 0.438 407 W N 1.637 122.948 121.300 0.018 0.000 2.578 407 W HA 0.572 5.232 4.660 -0.000 0.000 0.346 407 W C -0.304 176.228 176.519 0.022 0.000 1.075 407 W CA -0.767 56.608 57.345 0.050 0.000 1.233 407 W CB 0.683 30.216 29.460 0.122 0.000 1.358 407 W HN 0.462 nan 8.180 nan 0.000 0.574 408 D N 1.269 121.827 120.400 0.264 0.000 2.277 408 D HA 0.577 5.216 4.640 -0.000 0.000 0.249 408 D C -0.117 176.277 176.300 0.156 0.000 1.134 408 D CA 0.207 54.299 54.000 0.153 0.000 0.863 408 D CB 1.014 41.880 40.800 0.109 0.000 1.143 408 D HN 0.419 nan 8.370 nan 0.000 0.458 409 A N 1.886 124.759 122.820 0.088 0.000 2.483 409 A HA 0.863 5.182 4.320 -0.000 0.000 0.286 409 A C -1.365 176.222 177.584 0.005 0.000 1.207 409 A CA -0.630 51.437 52.037 0.050 0.000 0.764 409 A CB 1.572 20.588 19.000 0.028 0.000 1.341 409 A HN 0.373 nan 8.150 nan 0.000 0.428 410 V N 0.219 120.110 119.914 -0.038 0.000 2.697 410 V HA 0.255 4.375 4.120 -0.000 0.000 0.300 410 V C -0.647 175.372 176.094 -0.125 0.000 1.115 410 V CA -0.614 61.649 62.300 -0.062 0.000 0.912 410 V CB 1.600 33.394 31.823 -0.048 0.000 1.024 410 V HN 0.727 nan 8.190 nan 0.000 0.431 411 V N 5.816 125.662 119.914 -0.113 0.000 2.420 411 V HA -0.005 4.115 4.120 -0.000 0.000 0.274 411 V C 1.361 177.334 176.094 -0.202 0.000 1.003 411 V CA 0.993 63.202 62.300 -0.151 0.000 1.092 411 V CB 0.963 32.726 31.823 -0.099 0.000 1.002 411 V HN 0.891 nan 8.190 nan 0.000 0.473 412 V N 0.867 120.563 119.914 -0.364 0.000 3.354 412 V HA 0.337 4.457 4.120 -0.000 0.000 0.258 412 V C 0.462 176.312 176.094 -0.406 0.000 1.159 412 V CA 0.853 62.866 62.300 -0.478 0.000 1.125 412 V CB 0.226 31.450 31.823 -0.997 0.000 0.774 412 V HN 0.783 nan 8.190 nan 0.000 0.464 413 D N -1.555 118.649 120.400 -0.327 0.000 2.639 413 D HA 0.543 5.183 4.640 -0.000 0.000 0.271 413 D C -0.579 175.677 176.300 -0.073 0.000 1.254 413 D CA -0.645 53.286 54.000 -0.114 0.000 0.810 413 D CB 2.140 42.950 40.800 0.015 0.000 1.351 413 D HN 0.148 nan 8.370 nan 0.000 0.427 414 R N 0.348 120.840 120.500 -0.013 0.000 3.080 414 R HA 0.776 5.115 4.340 -0.000 0.000 0.248 414 R C -0.819 175.487 176.300 0.011 0.000 1.324 414 R CA -1.012 55.081 56.100 -0.011 0.000 1.036 414 R CB 1.878 32.170 30.300 -0.013 0.000 1.360 414 R HN 0.419 nan 8.270 nan 0.000 0.479 415 R N -0.003 120.500 120.500 0.006 0.000 2.934 415 R HA 0.118 4.458 4.340 -0.000 0.000 0.291 415 R C -0.459 175.845 176.300 0.006 0.000 0.773 415 R CA 0.625 56.731 56.100 0.012 0.000 0.894 415 R CB -0.281 30.030 30.300 0.019 0.000 1.464 415 R HN 0.968 nan 8.270 nan 0.000 0.363 416 G N 1.824 110.627 108.800 0.004 0.000 2.562 416 G HA2 -0.316 3.643 3.960 -0.000 0.000 0.250 416 G HA3 -0.316 3.643 3.960 -0.000 0.000 0.250 416 G C 0.663 175.562 174.900 -0.002 0.000 1.269 416 G CA 0.062 45.163 45.100 0.002 0.000 0.919 416 G HN 1.045 nan 8.290 nan 0.000 0.574 417 A N -0.240 122.578 122.820 -0.002 0.000 2.209 417 A HA 0.336 4.655 4.320 -0.000 0.000 0.212 417 A C 1.420 178.999 177.584 -0.008 0.000 1.158 417 A CA 2.111 54.145 52.037 -0.005 0.000 0.742 417 A CB -0.157 18.841 19.000 -0.004 0.000 0.790 417 A HN 0.905 nan 8.150 nan 0.000 0.472 418 Q N 0.462 120.258 119.800 -0.006 0.000 2.360 418 Q HA 0.559 4.899 4.340 -0.000 0.000 0.254 418 Q C -0.640 175.351 176.000 -0.017 0.000 0.975 418 Q CA -0.350 55.447 55.803 -0.009 0.000 0.912 418 Q CB 0.791 29.527 28.738 -0.003 0.000 1.212 418 Q HN 0.358 nan 8.270 nan 0.000 0.452 419 A N 3.344 126.147 122.820 -0.028 0.000 2.292 419 A HA 0.436 4.755 4.320 -0.000 0.000 0.319 419 A C -0.296 177.249 177.584 -0.065 0.000 1.206 419 A CA -0.558 51.450 52.037 -0.047 0.000 0.835 419 A CB 1.467 20.435 19.000 -0.053 0.000 1.164 419 A HN 0.664 nan 8.150 nan 0.000 0.505 420 T N 4.051 118.550 114.554 -0.092 0.000 2.762 420 T HA 0.523 4.873 4.350 -0.000 0.000 0.303 420 T C -0.149 174.411 174.700 -0.233 0.000 0.977 420 T CA -0.471 61.553 62.100 -0.127 0.000 0.961 420 T CB -1.130 67.683 68.868 -0.093 0.000 0.944 420 T HN 0.686 nan 8.240 nan 0.000 0.481 421 L N 3.354 124.465 121.223 -0.187 0.000 2.352 421 L HA 0.913 5.253 4.340 -0.000 0.000 0.269 421 L C -0.723 176.017 176.870 -0.216 0.000 1.034 421 L CA -1.478 53.234 54.840 -0.212 0.000 0.806 421 L CB 1.188 43.175 42.059 -0.120 0.000 1.244 421 L HN 0.520 nan 8.230 nan 0.000 0.447 422 L N 2.113 123.200 121.223 -0.228 0.000 2.329 422 L HA 0.588 4.928 4.340 -0.000 0.000 0.279 422 L C -0.927 175.947 176.870 0.007 0.000 1.014 422 L CA -0.182 54.575 54.840 -0.138 0.000 0.814 422 L CB 1.554 43.473 42.059 -0.233 0.000 1.257 422 L HN 0.539 nan 8.230 nan 0.000 0.424 423 I N 7.760 128.393 120.570 0.105 0.000 2.313 423 I HA 0.373 4.543 4.170 -0.000 0.000 0.286 423 I C -1.642 174.572 176.117 0.162 0.000 1.091 423 I CA -1.853 59.542 61.300 0.159 0.000 1.216 423 I CB 0.942 39.056 38.000 0.190 0.000 1.434 423 I HN 0.562 nan 8.210 nan 0.000 0.487 424 P HA -0.221 nan 4.420 nan 0.000 0.217 424 P C 0.979 178.373 177.300 0.156 0.000 1.158 424 P CA 1.505 64.686 63.100 0.135 0.000 0.887 424 P CB 0.200 31.970 31.700 0.115 0.000 0.792 425 D N -1.376 119.153 120.400 0.215 0.000 2.309 425 D HA -0.061 4.579 4.640 -0.000 0.000 0.212 425 D C 1.560 177.990 176.300 0.216 0.000 0.968 425 D CA 0.961 55.115 54.000 0.256 0.000 0.882 425 D CB 0.007 41.046 40.800 0.398 0.000 0.918 425 D HN 0.285 nan 8.370 nan 0.000 0.503 426 L N -0.576 120.737 121.223 0.149 0.000 2.731 426 L HA 0.256 4.596 4.340 -0.000 0.000 0.240 426 L C 1.092 178.028 176.870 0.109 0.000 1.120 426 L CA 0.007 54.879 54.840 0.053 0.000 0.913 426 L CB 0.397 42.374 42.059 -0.137 0.000 1.213 426 L HN -0.138 nan 8.230 nan 0.000 0.515 427 A N 0.481 123.382 122.820 0.136 0.000 2.798 427 A HA -0.295 4.024 4.320 -0.000 0.000 0.282 427 A C 0.116 177.819 177.584 0.198 0.000 1.464 427 A CA 0.991 53.113 52.037 0.143 0.000 0.844 427 A CB -2.409 16.644 19.000 0.089 0.000 1.006 427 A HN 0.361 nan 8.150 nan 0.000 0.577 428 F N 0.905 120.870 119.950 0.025 0.000 2.483 428 F HA 0.624 5.151 4.527 -0.000 0.000 0.329 428 F C -0.051 175.780 175.800 0.051 0.000 1.064 428 F CA -0.279 57.733 58.000 0.018 0.000 0.986 428 F CB 1.300 40.263 39.000 -0.060 0.000 1.218 428 F HN 0.393 nan 8.300 nan 0.000 0.484 429 D N 3.323 123.517 120.400 -0.344 0.000 2.964 429 D HA 0.491 5.130 4.640 -0.000 0.000 0.234 429 D C -1.660 174.487 176.300 -0.256 0.000 1.223 429 D CA -0.475 53.422 54.000 -0.171 0.000 0.889 429 D CB 1.755 42.499 40.800 -0.093 0.000 1.609 429 D HN 0.467 nan 8.370 nan 0.000 0.523 430 V N -1.246 118.648 119.914 -0.034 0.000 2.823 430 V HA 0.527 4.646 4.120 -0.000 0.000 0.312 430 V C -0.292 175.800 176.094 -0.003 0.000 1.072 430 V CA -1.015 61.302 62.300 0.028 0.000 0.937 430 V CB 1.913 33.870 31.823 0.223 0.000 1.013 430 V HN 0.461 nan 8.190 nan 0.000 0.430 431 Q N 1.509 121.312 119.800 0.005 0.000 2.314 431 Q HA 0.680 5.020 4.340 -0.000 0.000 0.258 431 Q C -0.678 175.320 176.000 -0.003 0.000 0.954 431 Q CA -0.019 55.781 55.803 -0.005 0.000 0.890 431 Q CB 1.695 30.436 28.738 0.006 0.000 1.210 431 Q HN 0.770 nan 8.270 nan 0.000 0.410 432 V N 2.664 122.567 119.914 -0.018 0.000 2.852 432 V HA 0.251 4.371 4.120 -0.000 0.000 0.300 432 V C -0.642 175.438 176.094 -0.022 0.000 1.205 432 V CA -0.970 61.317 62.300 -0.021 0.000 0.940 432 V CB 2.253 34.054 31.823 -0.037 0.000 1.047 432 V HN 0.744 nan 8.190 nan 0.000 0.429 433 N N 2.795 121.485 118.700 -0.016 0.000 2.444 433 N HA 0.775 5.515 4.740 -0.000 0.000 0.271 433 N C -0.538 174.962 175.510 -0.017 0.000 1.069 433 N CA -0.193 52.848 53.050 -0.014 0.000 0.965 433 N CB 1.468 39.950 38.487 -0.008 0.000 1.092 433 N HN 0.871 nan 8.380 nan 0.000 0.476 434 T N -1.179 113.364 114.554 -0.019 0.000 2.663 434 T HA 0.210 4.559 4.350 -0.000 0.000 0.305 434 T C -2.212 172.477 174.700 -0.019 0.000 1.660 434 T CA -0.733 61.355 62.100 -0.019 0.000 0.976 434 T CB 1.320 70.174 68.868 -0.024 0.000 1.705 434 T HN 0.190 nan 8.240 nan 0.000 0.494 435 P HA 0.243 nan 4.420 nan 0.000 0.212 435 P C 0.662 177.950 177.300 -0.019 0.000 1.171 435 P CA 0.947 64.038 63.100 -0.016 0.000 0.892 435 P CB -0.756 30.936 31.700 -0.013 0.000 0.769 436 A N 0.868 123.675 122.820 -0.021 0.000 2.291 436 A HA 0.104 4.424 4.320 -0.000 0.000 0.304 436 A C 0.757 178.325 177.584 -0.028 0.000 0.929 436 A CA 0.499 52.521 52.037 -0.025 0.000 1.299 436 A CB -0.976 18.006 19.000 -0.030 0.000 0.702 436 A HN 0.580 nan 8.150 nan 0.000 0.303 437 A N 4.963 127.768 122.820 -0.024 0.000 2.322 437 A HA 0.641 4.961 4.320 -0.000 0.000 0.269 437 A C -1.881 175.684 177.584 -0.032 0.000 1.094 437 A CA -1.600 50.423 52.037 -0.023 0.000 0.807 437 A CB -0.098 18.893 19.000 -0.015 0.000 1.047 437 A HN 0.681 nan 8.150 nan 0.000 0.487 438 P HA 0.122 nan 4.420 nan 0.000 0.231 438 P C 0.772 178.050 177.300 -0.036 0.000 1.210 438 P CA 1.987 65.060 63.100 -0.044 0.000 1.332 438 P CB -0.233 31.451 31.700 -0.025 0.000 1.594 439 G N 0.502 109.275 108.800 -0.045 0.000 3.272 439 G HA2 -0.118 3.842 3.960 -0.000 0.000 0.219 439 G HA3 -0.118 3.842 3.960 -0.000 0.000 0.219 439 G C 0.148 175.032 174.900 -0.027 0.000 0.952 439 G CA -0.430 44.651 45.100 -0.031 0.000 0.833 439 G HN 0.344 nan 8.290 nan 0.000 0.608 440 T N 2.169 116.704 114.554 -0.032 0.000 2.870 440 T HA 0.585 4.934 4.350 -0.000 0.000 0.300 440 T C 0.603 175.287 174.700 -0.027 0.000 0.989 440 T CA 0.756 62.840 62.100 -0.026 0.000 1.139 440 T CB 1.617 70.470 68.868 -0.026 0.000 0.920 440 T HN 0.996 nan 8.240 nan 0.000 0.537 441 A N 4.061 126.871 122.820 -0.016 0.000 2.304 441 A HA 0.830 5.150 4.320 -0.000 0.000 0.301 441 A C -0.280 177.298 177.584 -0.009 0.000 1.132 441 A CA -0.823 51.209 52.037 -0.009 0.000 0.819 441 A CB 0.148 19.149 19.000 0.001 0.000 1.094 441 A HN 0.932 nan 8.150 nan 0.000 0.492 442 L N -0.522 120.697 121.223 -0.005 0.000 2.549 442 L HA 0.587 4.927 4.340 -0.000 0.000 0.259 442 L C -1.208 175.665 176.870 0.005 0.000 0.934 442 L CA -1.177 53.660 54.840 -0.006 0.000 0.865 442 L CB 1.635 43.683 42.059 -0.018 0.000 1.352 442 L HN 0.511 nan 8.230 nan 0.000 0.410 443 Q N 2.230 122.034 119.800 0.006 0.000 2.304 443 Q HA 0.591 4.930 4.340 -0.000 0.000 0.260 443 Q C -0.016 175.987 176.000 0.006 0.000 0.965 443 Q CA -0.292 55.523 55.803 0.020 0.000 0.898 443 Q CB 1.805 30.547 28.738 0.006 0.000 1.196 443 Q HN 0.586 nan 8.270 nan 0.000 0.402 444 V N -0.252 119.675 119.914 0.023 0.000 3.096 444 V HA 0.699 4.818 4.120 -0.000 0.000 0.319 444 V C -0.694 175.382 176.094 -0.030 0.000 1.103 444 V CA -1.047 61.219 62.300 -0.058 0.000 1.016 444 V CB 1.975 33.691 31.823 -0.178 0.000 1.090 444 V HN 0.753 nan 8.190 nan 0.000 0.449 445 Q N 0.413 120.138 119.800 -0.126 0.000 2.271 445 Q HA 0.549 4.889 4.340 -0.000 0.000 0.268 445 Q C -2.013 173.910 176.000 -0.129 0.000 1.021 445 Q CA -0.541 55.246 55.803 -0.027 0.000 0.802 445 Q CB 2.139 30.884 28.738 0.012 0.000 1.282 445 Q HN 0.733 nan 8.270 nan 0.000 0.431 446 F N 1.471 121.489 119.950 0.113 0.000 2.412 446 F HA 0.501 5.028 4.527 -0.000 0.000 0.348 446 F C 0.575 176.397 175.800 0.036 0.000 1.102 446 F CA -0.172 57.858 58.000 0.050 0.000 1.196 446 F CB 1.393 40.391 39.000 -0.003 0.000 1.144 446 F HN 0.566 nan 8.300 nan 0.000 0.541 447 A N 3.983 126.923 122.820 0.199 0.000 2.394 447 A HA 0.514 4.834 4.320 -0.000 0.000 0.333 447 A C -0.877 176.770 177.584 0.105 0.000 1.397 447 A CA -0.563 51.543 52.037 0.116 0.000 0.884 447 A CB -0.256 18.786 19.000 0.070 0.000 1.147 447 A HN 0.928 nan 8.150 nan 0.000 0.505 448 D N 1.520 121.968 120.400 0.081 0.000 4.494 448 D HA -0.145 4.495 4.640 -0.000 0.000 0.243 448 D C -1.014 175.304 176.300 0.029 0.000 1.082 448 D CA 0.078 54.104 54.000 0.044 0.000 1.170 448 D CB -1.760 39.057 40.800 0.028 0.000 0.792 448 D HN 0.215 nan 8.370 nan 0.000 0.376 449 I N 1.897 122.467 120.570 -0.001 0.000 2.634 449 I HA 0.323 4.493 4.170 -0.000 0.000 0.284 449 I C 0.934 177.032 176.117 -0.032 0.000 1.124 449 I CA -0.278 61.001 61.300 -0.035 0.000 1.417 449 I CB 0.834 38.785 38.000 -0.081 0.000 1.396 449 I HN 0.417 nan 8.210 nan 0.000 0.571 450 D N 6.098 126.477 120.400 -0.036 0.000 2.421 450 D HA 0.211 4.851 4.640 -0.000 0.000 0.254 450 D C 0.647 176.908 176.300 -0.065 0.000 1.238 450 D CA -0.372 53.603 54.000 -0.041 0.000 0.919 450 D CB 0.826 41.617 40.800 -0.015 0.000 1.152 450 D HN 0.396 nan 8.370 nan 0.000 0.552 451 L N 3.644 124.798 121.223 -0.115 0.000 1.994 451 L HA -0.053 4.287 4.340 -0.000 0.000 0.208 451 L C -0.606 176.206 176.870 -0.097 0.000 1.071 451 L CA 1.247 55.986 54.840 -0.168 0.000 0.745 451 L CB -1.073 40.838 42.059 -0.248 0.000 0.892 451 L HN 0.368 nan 8.230 nan 0.000 0.431 452 P HA -0.155 nan 4.420 nan 0.000 0.213 452 P C 0.484 177.834 177.300 0.085 0.000 1.170 452 P CA 1.154 64.185 63.100 -0.115 0.000 0.902 452 P CB 0.005 31.602 31.700 -0.172 0.000 0.789 456 V N -0.964 119.030 119.914 0.132 0.000 2.969 456 V HA 0.642 4.762 4.120 -0.000 0.000 0.304 456 V C -0.593 175.618 176.094 0.196 0.000 1.192 456 V CA -1.242 61.156 62.300 0.162 0.000 0.962 456 V CB 2.112 34.051 31.823 0.194 0.000 1.045 456 V HN 0.732 nan 8.190 nan 0.000 0.428 457 R N 1.525 122.128 120.500 0.171 0.000 2.787 457 R HA 0.942 5.281 4.340 -0.000 0.000 0.271 457 R C -0.562 175.816 176.300 0.130 0.000 0.993 457 R CA -0.578 55.597 56.100 0.126 0.000 0.993 457 R CB 2.339 32.684 30.300 0.074 0.000 1.155 457 R HN 1.051 nan 8.270 nan 0.000 0.486 458 A N 1.838 124.683 122.820 0.041 0.000 2.414 458 A HA 0.585 4.905 4.320 -0.000 0.000 0.306 458 A C -0.777 176.763 177.584 -0.073 0.000 1.054 458 A CA -0.869 51.119 52.037 -0.082 0.000 0.724 458 A CB 1.490 20.350 19.000 -0.233 0.000 1.267 458 A HN 0.625 nan 8.150 nan 0.000 0.418 459 R N 0.880 121.327 120.500 -0.088 0.000 2.532 459 R HA 0.490 4.829 4.340 -0.000 0.000 0.295 459 R C -0.315 175.944 176.300 -0.068 0.000 0.968 459 R CA -0.483 55.585 56.100 -0.054 0.000 0.916 459 R CB 1.928 32.211 30.300 -0.028 0.000 1.124 459 R HN 0.649 nan 8.270 nan 0.000 0.463 460 S N 2.789 118.460 115.700 -0.048 0.000 2.681 460 S HA 0.078 4.548 4.470 -0.000 0.000 0.313 460 S C 0.422 175.005 174.600 -0.029 0.000 1.137 460 S CA -0.504 57.670 58.200 -0.042 0.000 1.045 460 S CB -0.061 63.119 63.200 -0.034 0.000 1.208 460 S HN 0.411 nan 8.310 nan 0.000 0.523 461 V N 0.000 119.897 119.914 -0.028 0.000 2.409 461 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 461 V CA 0.000 62.289 62.300 -0.019 0.000 1.235 461 V CB 0.000 31.814 31.823 -0.015 0.000 1.184 461 V HN 0.000 nan 8.190 nan 0.000 0.556