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 1n97_1_B DATA FIRST_RESID 1 DATA SEQUENCE MKRLSLREAW PYLKDLQQDP LAVLLAWGRA HPRLFLPLPR FPLALIFDPE DATA SEQUENCE GVEGALLAEG TTKATFQYRA LSRLTGRGLL TDWGESWKEA RKALKDPFLP DATA SEQUENCE KNVRGYREAM EEEARAFFGE WRGEERDLDH EMLALSLRLL GRALFGKPLS DATA SEQUENCE PSLAEHALKA LDRIMAQTRS PLALLDLAAE ARFRKDRGAL YREAEALIVH DATA SEQUENCE PPLSHLPRER ALSEAVTLLV AGHETVASAL TWSFLLLSHR PDWQKRVAES DATA SEQUENCE EEAALAAFQE ALRLYPPAWI LTRRLERPLL LGEDRLPPGT TLVLSPYVTQ DATA SEQUENCE RLHFPDGEAF RPERFLEERG TPSGRYFPFG LGQRLCLGRD FALLEGPIVL DATA SEQUENCE RAFFRRFRLD PLPFPRVLAQ VTLRPEGGLP ARPRE VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.278 176.300 -0.036 0.000 1.140 1 M CA 0.000 55.293 55.300 -0.011 0.000 0.988 1 M CB 0.000 32.590 32.600 -0.016 0.000 1.302 2 K N 3.909 124.262 120.400 -0.079 0.000 2.440 2 K HA 0.032 4.353 4.320 0.001 0.000 0.275 2 K C -0.658 175.871 176.600 -0.118 0.000 1.082 2 K CA 0.722 56.880 56.287 -0.214 0.000 1.135 2 K CB 0.349 32.464 32.500 -0.640 0.000 0.864 2 K HN 0.618 nan 8.250 nan 0.000 0.479 3 R N 5.681 126.133 120.500 -0.080 0.000 2.196 3 R HA 0.208 4.549 4.340 0.001 0.000 0.340 3 R C -0.405 175.852 176.300 -0.072 0.000 1.043 3 R CA -0.510 55.588 56.100 -0.002 0.000 0.883 3 R CB 0.296 30.607 30.300 0.018 0.000 1.078 3 R HN 0.650 nan 8.270 nan 0.000 0.462 4 L N 2.588 123.754 121.223 -0.095 0.000 2.464 4 L HA 0.141 4.482 4.340 0.001 0.000 0.264 4 L C 0.482 177.317 176.870 -0.059 0.000 1.199 4 L CA 0.062 54.819 54.840 -0.139 0.000 0.818 4 L CB 1.290 43.221 42.059 -0.213 0.000 1.102 4 L HN 0.706 nan 8.230 nan 0.000 0.473 5 S N 1.485 117.150 115.700 -0.059 0.000 2.578 5 S HA 0.302 4.773 4.470 0.001 0.000 0.283 5 S C 0.342 174.955 174.600 0.022 0.000 1.195 5 S CA -0.893 57.291 58.200 -0.025 0.000 1.050 5 S CB 1.357 64.525 63.200 -0.053 0.000 1.012 5 S HN 0.635 nan 8.310 nan 0.000 0.511 6 L N 1.561 122.804 121.223 0.032 0.000 2.869 6 L HA 0.120 4.460 4.340 0.001 0.000 0.259 6 L C 1.716 178.584 176.870 -0.005 0.000 1.162 6 L CA 0.421 55.316 54.840 0.092 0.000 0.975 6 L CB -0.540 41.552 42.059 0.055 0.000 1.217 6 L HN 0.904 nan 8.230 nan 0.000 0.418 7 R N -1.434 119.030 120.500 -0.059 0.000 3.246 7 R HA 0.036 4.377 4.340 0.001 0.000 0.144 7 R C 0.987 177.215 176.300 -0.120 0.000 0.772 7 R CA -0.022 55.907 56.100 -0.284 0.000 1.364 7 R CB 0.303 30.473 30.300 -0.217 0.000 1.665 7 R HN 0.242 nan 8.270 nan 0.000 0.520 8 E N 0.502 120.685 120.200 -0.027 0.000 2.463 8 E HA 0.203 4.554 4.350 0.001 0.000 0.193 8 E C 0.688 177.293 176.600 0.009 0.000 1.041 8 E CA 0.293 56.666 56.400 -0.044 0.000 0.879 8 E CB 1.080 30.685 29.700 -0.158 0.000 0.997 8 E HN 0.354 nan 8.360 nan 0.000 0.478 9 A N -0.071 122.867 122.820 0.197 0.000 2.235 9 A HA -0.049 4.271 4.320 0.001 0.000 0.208 9 A C 0.643 178.452 177.584 0.374 0.000 1.172 9 A CA 0.253 52.429 52.037 0.232 0.000 0.786 9 A CB -0.313 18.796 19.000 0.180 0.000 0.804 9 A HN 0.312 nan 8.150 nan 0.000 0.479 10 W N -1.212 120.116 121.300 0.048 0.000 2.901 10 W HA 0.260 4.921 4.660 0.001 0.000 0.281 10 W C -1.315 175.253 176.519 0.082 0.000 1.167 10 W CA -0.080 57.310 57.345 0.074 0.000 1.506 10 W CB -1.359 28.123 29.460 0.036 0.000 0.985 10 W HN 0.190 nan 8.180 nan 0.000 0.590 11 P HA -0.134 nan 4.420 nan 0.000 0.216 11 P C 0.780 178.266 177.300 0.311 0.000 1.153 11 P CA 1.339 64.563 63.100 0.207 0.000 0.844 11 P CB -0.196 31.547 31.700 0.071 0.000 0.787 12 Y N 0.444 120.867 120.300 0.205 0.000 2.981 12 Y HA 0.038 4.589 4.550 0.001 0.000 0.378 12 Y C 0.469 176.502 175.900 0.222 0.000 1.047 12 Y CA -0.771 57.470 58.100 0.235 0.000 1.698 12 Y CB -1.288 37.378 38.460 0.344 0.000 1.780 12 Y HN -0.153 nan 8.280 nan 0.000 0.452 13 L N 0.556 121.957 121.223 0.298 0.000 3.739 13 L HA -0.355 3.985 4.340 0.001 0.000 0.442 13 L C 1.001 177.954 176.870 0.138 0.000 1.241 13 L CA 0.508 55.449 54.840 0.167 0.000 0.819 13 L CB -1.130 40.989 42.059 0.099 0.000 1.679 13 L HN 0.431 nan 8.230 nan 0.000 0.889 14 K N 1.274 121.794 120.400 0.200 0.000 2.651 14 K HA -0.141 4.180 4.320 0.001 0.000 0.210 14 K C 0.268 176.849 176.600 -0.033 0.000 0.916 14 K CA 0.616 56.946 56.287 0.072 0.000 1.194 14 K CB -0.412 32.051 32.500 -0.062 0.000 0.991 14 K HN 0.308 nan 8.250 nan 0.000 0.266 15 D N 1.995 122.374 120.400 -0.035 0.000 2.930 15 D HA 0.101 4.741 4.640 0.001 0.000 0.304 15 D C 0.577 176.806 176.300 -0.120 0.000 1.298 15 D CA -0.231 53.727 54.000 -0.071 0.000 0.949 15 D CB 0.439 41.212 40.800 -0.045 0.000 1.013 15 D HN 0.271 nan 8.370 nan 0.000 0.510 16 L N 0.968 122.102 121.223 -0.149 0.000 2.131 16 L HA -0.149 4.191 4.340 0.001 0.000 0.210 16 L C 2.944 179.741 176.870 -0.122 0.000 1.092 16 L CA 1.889 56.627 54.840 -0.170 0.000 0.759 16 L CB -0.736 41.226 42.059 -0.162 0.000 0.903 16 L HN 0.381 nan 8.230 nan 0.000 0.435 17 Q N -0.310 119.428 119.800 -0.102 0.000 2.124 17 Q HA -0.220 4.121 4.340 0.001 0.000 0.202 17 Q C 2.272 178.226 176.000 -0.075 0.000 0.977 17 Q CA 2.355 58.111 55.803 -0.078 0.000 0.850 17 Q CB -1.242 27.452 28.738 -0.073 0.000 0.901 17 Q HN 0.670 nan 8.270 nan 0.000 0.429 18 Q N -0.501 119.249 119.800 -0.083 0.000 2.302 18 Q HA 0.183 4.523 4.340 0.001 0.000 0.202 18 Q C 0.793 176.727 176.000 -0.110 0.000 0.936 18 Q CA 1.034 56.788 55.803 -0.080 0.000 0.886 18 Q CB 0.624 29.324 28.738 -0.064 0.000 0.986 18 Q HN 0.669 nan 8.270 nan 0.000 0.487 19 D N -1.665 118.650 120.400 -0.141 0.000 3.118 19 D HA 0.173 4.814 4.640 0.001 0.000 0.259 19 D C -2.379 173.781 176.300 -0.235 0.000 1.292 19 D CA -1.240 52.648 54.000 -0.187 0.000 0.784 19 D CB 1.214 41.921 40.800 -0.155 0.000 1.413 19 D HN 0.056 nan 8.370 nan 0.000 0.583 20 P HA -0.105 nan 4.420 nan 0.000 0.218 20 P C 1.864 178.995 177.300 -0.280 0.000 1.148 20 P CA 0.699 63.662 63.100 -0.228 0.000 0.822 20 P CB 0.514 32.140 31.700 -0.123 0.000 0.784 21 L N -0.952 120.027 121.223 -0.406 0.000 2.056 21 L HA -0.090 4.250 4.340 0.001 0.000 0.207 21 L C 2.673 179.390 176.870 -0.254 0.000 1.078 21 L CA 1.522 56.095 54.840 -0.445 0.000 0.749 21 L CB -1.286 40.302 42.059 -0.785 0.000 0.901 21 L HN -0.066 nan 8.230 nan 0.000 0.433 22 A N -0.184 122.491 122.820 -0.242 0.000 1.898 22 A HA -0.119 4.201 4.320 0.001 0.000 0.216 22 A C 2.350 179.796 177.584 -0.230 0.000 1.181 22 A CA 1.633 53.563 52.037 -0.179 0.000 0.620 22 A CB -0.758 18.148 19.000 -0.158 0.000 0.819 22 A HN 0.166 nan 8.150 nan 0.000 0.442 23 V N 0.229 119.949 119.914 -0.324 0.000 2.261 23 V HA -0.260 3.861 4.120 0.001 0.000 0.246 23 V C 2.577 178.275 176.094 -0.661 0.000 1.047 23 V CA 1.984 63.951 62.300 -0.555 0.000 1.015 23 V CB -0.876 30.550 31.823 -0.661 0.000 0.642 23 V HN 0.572 nan 8.190 nan 0.000 0.446 24 L N -0.788 120.189 121.223 -0.410 0.000 2.043 24 L HA -0.227 4.114 4.340 0.001 0.000 0.212 24 L C 2.472 179.239 176.870 -0.170 0.000 1.075 24 L CA 1.326 56.076 54.840 -0.151 0.000 0.752 24 L CB -0.608 41.487 42.059 0.060 0.000 0.891 24 L HN 0.343 nan 8.230 nan 0.000 0.432 25 L N -0.031 121.098 121.223 -0.156 0.000 2.027 25 L HA -0.104 4.237 4.340 0.001 0.000 0.206 25 L C 2.673 179.465 176.870 -0.129 0.000 1.074 25 L CA 1.989 56.737 54.840 -0.154 0.000 0.745 25 L CB -0.803 41.220 42.059 -0.059 0.000 0.898 25 L HN 0.140 nan 8.230 nan 0.000 0.433 26 A N -0.961 121.798 122.820 -0.103 0.000 1.883 26 A HA -0.244 4.076 4.320 0.001 0.000 0.217 26 A C 2.040 179.714 177.584 0.151 0.000 1.186 26 A CA 2.043 54.065 52.037 -0.026 0.000 0.624 26 A CB -1.246 17.718 19.000 -0.059 0.000 0.822 26 A HN 0.640 nan 8.150 nan 0.000 0.444 27 W N -0.450 120.855 121.300 0.008 0.000 2.355 27 W HA -0.005 4.656 4.660 0.001 0.000 0.309 27 W C 2.595 179.194 176.519 0.133 0.000 1.206 27 W CA 0.602 58.033 57.345 0.143 0.000 1.284 27 W CB -1.556 28.069 29.460 0.275 0.000 1.145 27 W HN 0.385 nan 8.180 nan 0.000 0.502 28 G N 0.040 108.907 108.800 0.112 0.000 2.432 28 G HA2 -0.220 3.741 3.960 0.001 0.000 0.219 28 G HA3 -0.220 3.741 3.960 0.001 0.000 0.219 28 G C 1.764 176.657 174.900 -0.013 0.000 1.135 28 G CA 0.603 45.638 45.100 -0.108 0.000 0.767 28 G HN 0.152 nan 8.290 nan 0.000 0.550 29 R N 0.303 120.772 120.500 -0.053 0.000 2.105 29 R HA -0.041 4.300 4.340 0.001 0.000 0.239 29 R C 2.858 179.124 176.300 -0.058 0.000 1.135 29 R CA 1.284 57.347 56.100 -0.061 0.000 0.967 29 R CB -0.251 30.004 30.300 -0.075 0.000 0.861 29 R HN 0.392 nan 8.270 nan 0.000 0.442 30 A N 0.153 122.937 122.820 -0.061 0.000 1.984 30 A HA 0.010 4.331 4.320 0.001 0.000 0.214 30 A C 0.303 177.581 177.584 -0.510 0.000 1.173 30 A CA 0.697 52.565 52.037 -0.281 0.000 0.673 30 A CB 0.192 19.036 19.000 -0.259 0.000 0.830 30 A HN 0.222 nan 8.150 nan 0.000 0.453 31 H N -2.004 117.166 119.070 0.167 0.000 2.966 31 H HA 0.220 4.777 4.556 0.001 0.000 0.347 31 H C -2.302 173.197 175.328 0.285 0.000 1.048 31 H CA -1.440 54.717 56.048 0.183 0.000 1.295 31 H CB 1.657 31.514 29.762 0.159 0.000 1.744 31 H HN 0.027 nan 8.280 nan 0.000 0.513 32 P HA -0.084 nan 4.420 nan 0.000 0.220 32 P C -0.075 177.433 177.300 0.347 0.000 1.148 32 P CA 1.054 64.380 63.100 0.376 0.000 0.803 32 P CB 0.855 32.705 31.700 0.251 0.000 0.782 33 R N -0.741 119.911 120.500 0.253 0.000 2.604 33 R HA 0.632 4.973 4.340 0.001 0.000 0.281 33 R C -1.171 175.190 176.300 0.101 0.000 1.020 33 R CA -0.831 55.337 56.100 0.113 0.000 0.899 33 R CB 1.769 32.109 30.300 0.067 0.000 1.205 33 R HN -0.115 nan 8.270 nan 0.000 0.450 34 L N 2.542 123.797 121.223 0.054 0.000 2.408 34 L HA 0.532 4.873 4.340 0.001 0.000 0.268 34 L C -1.093 175.816 176.870 0.065 0.000 0.986 34 L CA -0.535 54.314 54.840 0.015 0.000 0.820 34 L CB 1.753 43.795 42.059 -0.028 0.000 1.303 34 L HN 0.485 nan 8.230 nan 0.000 0.411 35 F N 3.573 123.470 119.950 -0.088 0.000 2.426 35 F HA 0.713 5.241 4.527 0.001 0.000 0.348 35 F C -1.124 174.640 175.800 -0.061 0.000 1.124 35 F CA -0.631 57.334 58.000 -0.058 0.000 1.008 35 F CB 1.124 40.093 39.000 -0.051 0.000 1.139 35 F HN 0.213 nan 8.300 nan 0.000 0.452 36 L N 8.726 129.624 121.223 -0.541 0.000 2.295 36 L HA 0.435 4.775 4.340 0.001 0.000 0.281 36 L C -2.224 174.358 176.870 -0.481 0.000 1.018 36 L CA -1.578 53.058 54.840 -0.339 0.000 0.841 36 L CB 1.165 43.106 42.059 -0.197 0.000 1.218 36 L HN 0.409 nan 8.230 nan 0.000 0.424 37 P HA 0.089 nan 4.420 nan 0.000 0.218 37 P C -0.424 176.858 177.300 -0.031 0.000 1.793 37 P CA -0.337 62.719 63.100 -0.073 0.000 0.941 37 P CB -0.147 31.659 31.700 0.176 0.000 1.919 38 L N 1.906 123.083 121.223 -0.077 0.000 2.499 38 L HA 0.130 4.471 4.340 0.001 0.000 0.273 38 L C -1.806 175.069 176.870 0.008 0.000 1.195 38 L CA -1.431 53.406 54.840 -0.006 0.000 0.882 38 L CB -0.475 41.584 42.059 -0.001 0.000 1.133 38 L HN -0.014 nan 8.230 nan 0.000 0.483 39 P HA 0.114 nan 4.420 nan 0.000 0.260 39 P C 0.709 177.949 177.300 -0.101 0.000 1.185 39 P CA 1.117 64.199 63.100 -0.031 0.000 0.763 39 P CB 0.462 32.140 31.700 -0.037 0.000 0.776 40 R N 2.119 122.555 120.500 -0.106 0.000 3.789 40 R HA -0.237 4.104 4.340 0.001 0.000 0.414 40 R C 0.404 176.652 176.300 -0.086 0.000 0.593 40 R CA 1.964 57.923 56.100 -0.234 0.000 1.562 40 R CB -2.921 27.054 30.300 -0.542 0.000 2.091 40 R HN 0.527 nan 8.270 nan 0.000 0.382 41 F N 1.632 121.581 119.950 -0.002 0.000 2.564 41 F HA 0.396 4.923 4.527 0.001 0.000 0.329 41 F C -2.290 173.474 175.800 -0.060 0.000 1.458 41 F CA -2.150 55.841 58.000 -0.015 0.000 1.117 41 F CB 2.144 41.138 39.000 -0.010 0.000 1.383 41 F HN 0.096 nan 8.300 nan 0.000 0.571 42 P HA 0.039 nan 4.420 nan 0.000 0.266 42 P C -0.734 176.451 177.300 -0.192 0.000 1.195 42 P CA -0.014 63.002 63.100 -0.139 0.000 0.768 42 P CB 1.238 32.895 31.700 -0.072 0.000 0.838 43 L N 2.472 123.490 121.223 -0.342 0.000 2.307 43 L HA 0.609 4.950 4.340 0.001 0.000 0.284 43 L C 0.406 177.081 176.870 -0.324 0.000 1.023 43 L CA -0.380 54.325 54.840 -0.226 0.000 0.810 43 L CB 1.261 43.236 42.059 -0.140 0.000 1.231 43 L HN 0.384 nan 8.230 nan 0.000 0.423 44 A N 5.022 127.772 122.820 -0.116 0.000 2.291 44 A HA 0.748 5.069 4.320 0.001 0.000 0.311 44 A C -0.717 176.841 177.584 -0.043 0.000 1.224 44 A CA -0.485 51.548 52.037 -0.005 0.000 0.821 44 A CB 0.333 19.418 19.000 0.141 0.000 1.172 44 A HN 0.641 nan 8.150 nan 0.000 0.494 45 L N 3.642 124.817 121.223 -0.080 0.000 2.265 45 L HA 0.464 4.805 4.340 0.001 0.000 0.288 45 L C -0.615 175.987 176.870 -0.446 0.000 1.058 45 L CA 0.005 54.685 54.840 -0.267 0.000 0.809 45 L CB 0.765 42.698 42.059 -0.210 0.000 1.179 45 L HN 0.562 nan 8.230 nan 0.000 0.429 46 I N 3.257 123.534 120.570 -0.490 0.000 2.411 46 I HA 0.209 4.379 4.170 0.001 0.000 0.284 46 I C -0.095 175.857 176.117 -0.274 0.000 1.012 46 I CA -0.037 61.081 61.300 -0.304 0.000 1.119 46 I CB 1.488 39.409 38.000 -0.132 0.000 1.261 46 I HN 0.591 nan 8.210 nan 0.000 0.448 47 F N 2.394 122.436 119.950 0.153 0.000 2.717 47 F HA 0.069 4.596 4.527 0.002 0.000 0.297 47 F C 1.092 176.980 175.800 0.147 0.000 1.113 47 F CA -0.706 57.413 58.000 0.198 0.000 1.319 47 F CB 0.471 39.615 39.000 0.240 0.000 1.097 47 F HN 0.439 nan 8.300 nan 0.000 0.595 48 D N 1.142 121.661 120.400 0.198 0.000 2.255 48 D HA 0.108 4.749 4.640 0.001 0.000 0.249 48 D C -2.317 173.898 176.300 -0.142 0.000 1.078 48 D CA -1.751 52.236 54.000 -0.022 0.000 0.896 48 D CB 1.614 42.434 40.800 0.033 0.000 1.194 48 D HN -0.060 nan 8.370 nan 0.000 0.429 49 P HA -0.202 nan 4.420 nan 0.000 0.216 49 P C 1.127 178.344 177.300 -0.138 0.000 1.154 49 P CA 1.512 64.489 63.100 -0.204 0.000 0.865 49 P CB 0.248 31.806 31.700 -0.238 0.000 0.789 50 E N -1.202 118.932 120.200 -0.111 0.000 2.106 50 E HA -0.089 4.261 4.350 0.001 0.000 0.192 50 E C 2.251 178.804 176.600 -0.079 0.000 0.984 50 E CA 1.217 57.570 56.400 -0.077 0.000 0.806 50 E CB -0.733 28.937 29.700 -0.050 0.000 0.750 50 E HN 0.273 nan 8.360 nan 0.000 0.458 51 G N 0.659 109.415 108.800 -0.074 0.000 2.396 51 G HA2 -0.167 3.794 3.960 0.001 0.000 0.214 51 G HA3 -0.167 3.794 3.960 0.001 0.000 0.214 51 G C 1.731 176.567 174.900 -0.107 0.000 1.166 51 G CA 0.363 45.423 45.100 -0.067 0.000 0.793 51 G HN 0.087 nan 8.290 nan 0.000 0.533 52 V N 1.194 121.019 119.914 -0.148 0.000 2.252 52 V HA -0.278 3.843 4.120 0.001 0.000 0.249 52 V C 2.735 178.668 176.094 -0.269 0.000 1.056 52 V CA 2.468 64.603 62.300 -0.277 0.000 1.022 52 V CB -0.623 30.910 31.823 -0.483 0.000 0.641 52 V HN 0.494 nan 8.190 nan 0.000 0.445 53 E N 0.154 120.232 120.200 -0.203 0.000 2.077 53 E HA -0.171 4.179 4.350 0.001 0.000 0.193 53 E C 2.352 178.886 176.600 -0.109 0.000 0.989 53 E CA 1.270 57.582 56.400 -0.147 0.000 0.800 53 E CB -0.574 29.068 29.700 -0.097 0.000 0.746 53 E HN 0.666 nan 8.360 nan 0.000 0.452 54 G N 1.468 110.212 108.800 -0.094 0.000 2.446 54 G HA2 -0.298 3.663 3.960 0.001 0.000 0.217 54 G HA3 -0.298 3.663 3.960 0.001 0.000 0.217 54 G C 1.729 176.582 174.900 -0.079 0.000 1.168 54 G CA 1.117 46.174 45.100 -0.072 0.000 0.771 54 G HN 0.362 nan 8.290 nan 0.000 0.551 55 A N 0.272 123.034 122.820 -0.097 0.000 1.898 55 A HA 0.170 4.491 4.320 0.001 0.000 0.216 55 A C 2.385 179.907 177.584 -0.103 0.000 1.181 55 A CA 1.217 53.197 52.037 -0.095 0.000 0.620 55 A CB -0.325 18.614 19.000 -0.102 0.000 0.819 55 A HN 0.354 nan 8.150 nan 0.000 0.442 56 L N -1.029 120.120 121.223 -0.123 0.000 2.418 56 L HA 0.098 4.439 4.340 0.001 0.000 0.218 56 L C 1.710 178.529 176.870 -0.086 0.000 1.125 56 L CA 0.303 55.075 54.840 -0.112 0.000 0.835 56 L CB -0.087 41.892 42.059 -0.133 0.000 0.953 56 L HN 0.319 nan 8.230 nan 0.000 0.454 57 L N -0.496 120.682 121.223 -0.075 0.000 2.616 57 L HA 0.285 4.625 4.340 0.001 0.000 0.229 57 L C 1.244 178.086 176.870 -0.046 0.000 1.110 57 L CA -0.462 54.349 54.840 -0.049 0.000 0.884 57 L CB -0.066 41.971 42.059 -0.037 0.000 1.115 57 L HN 0.039 nan 8.230 nan 0.000 0.481 58 A N 1.304 124.090 122.820 -0.058 0.000 2.548 58 A HA 0.055 4.375 4.320 0.001 0.000 0.247 58 A C 0.353 177.907 177.584 -0.050 0.000 1.067 58 A CA 0.100 52.106 52.037 -0.051 0.000 0.757 58 A CB -0.174 18.790 19.000 -0.060 0.000 0.996 58 A HN 0.322 nan 8.150 nan 0.000 0.504 59 E N 1.034 121.215 120.200 -0.031 0.000 2.390 59 E HA 0.400 4.751 4.350 0.001 0.000 0.261 59 E C 1.133 177.715 176.600 -0.030 0.000 1.076 59 E CA 0.613 57.000 56.400 -0.021 0.000 0.905 59 E CB 0.488 30.188 29.700 -0.000 0.000 0.984 59 E HN 1.294 nan 8.360 nan 0.000 0.427 60 G N 1.963 110.747 108.800 -0.026 0.000 2.153 60 G HA2 -0.296 3.665 3.960 0.001 0.000 0.252 60 G HA3 -0.296 3.665 3.960 0.001 0.000 0.252 60 G C 0.388 175.236 174.900 -0.085 0.000 0.994 60 G CA 0.629 45.710 45.100 -0.031 0.000 0.698 60 G HN 0.630 nan 8.290 nan 0.000 0.521 61 T N -1.654 112.820 114.554 -0.133 0.000 2.881 61 T HA 0.780 5.131 4.350 0.001 0.000 0.278 61 T C 0.440 174.925 174.700 -0.358 0.000 0.982 61 T CA 0.588 62.562 62.100 -0.210 0.000 0.989 61 T CB 2.226 70.979 68.868 -0.192 0.000 1.058 61 T HN 1.410 nan 8.240 nan 0.000 0.529 62 T N -1.764 112.466 114.554 -0.540 0.000 2.864 62 T HA 0.506 4.857 4.350 0.001 0.000 0.289 62 T C -0.095 174.087 174.700 -0.863 0.000 1.082 62 T CA -1.190 60.285 62.100 -1.042 0.000 1.009 62 T CB 1.575 69.391 68.868 -1.754 0.000 1.234 62 T HN 0.585 nan 8.240 nan 0.000 0.526 63 K N 0.672 120.442 120.400 -1.050 0.000 2.684 63 K HA 0.415 4.736 4.320 0.001 0.000 0.215 63 K C 0.452 176.799 176.600 -0.422 0.000 1.073 63 K CA -0.333 55.639 56.287 -0.525 0.000 1.197 63 K CB 0.190 32.472 32.500 -0.363 0.000 0.955 63 K HN 0.665 nan 8.250 nan 0.000 0.473 64 A N 2.111 124.516 122.820 -0.692 0.000 3.091 64 A HA 0.082 4.403 4.320 0.001 0.000 0.264 64 A C 0.393 177.848 177.584 -0.215 0.000 1.673 64 A CA -0.193 51.658 52.037 -0.309 0.000 1.362 64 A CB -0.671 18.163 19.000 -0.276 0.000 1.137 64 A HN 0.286 nan 8.150 nan 0.000 0.617 65 T N -3.172 111.287 114.554 -0.159 0.000 2.926 65 T HA 0.515 4.866 4.350 0.001 0.000 0.289 65 T C 0.818 175.391 174.700 -0.211 0.000 1.054 65 T CA -0.201 61.773 62.100 -0.210 0.000 1.015 65 T CB 0.684 69.355 68.868 -0.328 0.000 1.167 65 T HN 0.708 nan 8.240 nan 0.000 0.526 66 F N -0.030 119.819 119.950 -0.169 0.000 2.202 66 F HA -0.051 4.477 4.527 0.001 0.000 0.301 66 F C 2.478 178.184 175.800 -0.157 0.000 1.082 66 F CA 1.311 59.224 58.000 -0.144 0.000 1.313 66 F CB -0.650 38.267 39.000 -0.137 0.000 1.024 66 F HN 0.693 nan 8.300 nan 0.000 0.495 67 Q N -0.189 118.935 119.800 -1.126 0.000 2.049 67 Q HA -0.164 4.177 4.340 0.001 0.000 0.198 67 Q C 1.991 177.637 176.000 -0.591 0.000 0.971 67 Q CA 1.815 57.050 55.803 -0.946 0.000 0.833 67 Q CB -0.492 27.434 28.738 -1.353 0.000 0.896 67 Q HN 0.649 nan 8.270 nan 0.000 0.434 68 Y N -0.353 119.784 120.300 -0.272 0.000 2.420 68 Y HA 0.069 4.620 4.550 0.001 0.000 0.292 68 Y C 2.374 178.247 175.900 -0.045 0.000 1.119 68 Y CA 0.386 58.407 58.100 -0.132 0.000 1.229 68 Y CB 0.300 38.689 38.460 -0.119 0.000 1.026 68 Y HN 0.046 nan 8.280 nan 0.000 0.554 69 R N 0.077 120.616 120.500 0.064 0.000 2.092 69 R HA -0.120 4.221 4.340 0.001 0.000 0.231 69 R C 2.471 178.805 176.300 0.057 0.000 1.119 69 R CA 1.097 57.241 56.100 0.074 0.000 0.970 69 R CB -0.410 29.922 30.300 0.054 0.000 0.864 69 R HN 0.288 nan 8.270 nan 0.000 0.440 70 A N 1.244 124.074 122.820 0.017 0.000 1.855 70 A HA -0.143 4.178 4.320 0.001 0.000 0.215 70 A C 2.060 179.673 177.584 0.048 0.000 1.191 70 A CA 1.002 53.052 52.037 0.022 0.000 0.613 70 A CB -0.577 18.424 19.000 0.003 0.000 0.829 70 A HN 0.237 nan 8.150 nan 0.000 0.442 71 L N 0.438 121.686 121.223 0.042 0.000 2.013 71 L HA -0.178 4.163 4.340 0.001 0.000 0.212 71 L C 2.400 179.349 176.870 0.133 0.000 1.073 71 L CA 2.665 57.560 54.840 0.091 0.000 0.753 71 L CB -0.913 41.219 42.059 0.121 0.000 0.890 71 L HN 0.307 nan 8.230 nan 0.000 0.432 72 S N -0.458 115.322 115.700 0.134 0.000 2.423 72 S HA -0.255 4.216 4.470 0.001 0.000 0.238 72 S C 1.895 176.576 174.600 0.135 0.000 1.028 72 S CA 1.515 59.794 58.200 0.132 0.000 1.000 72 S CB -0.461 62.812 63.200 0.121 0.000 0.797 72 S HN 0.513 nan 8.310 nan 0.000 0.487 73 R N 0.154 120.738 120.500 0.139 0.000 2.193 73 R HA 0.070 4.411 4.340 0.001 0.000 0.229 73 R C 2.108 178.575 176.300 0.278 0.000 1.110 73 R CA 0.755 56.964 56.100 0.180 0.000 0.988 73 R CB -0.164 30.220 30.300 0.140 0.000 0.871 73 R HN 0.380 nan 8.270 nan 0.000 0.458 74 L N -0.277 121.099 121.223 0.254 0.000 2.347 74 L HA -0.013 4.328 4.340 0.001 0.000 0.196 74 L C 2.092 179.132 176.870 0.284 0.000 1.072 74 L CA 1.295 56.297 54.840 0.271 0.000 0.817 74 L CB -0.131 42.072 42.059 0.241 0.000 1.029 74 L HN 0.237 nan 8.230 nan 0.000 0.478 75 T N -2.861 111.825 114.554 0.221 0.000 3.067 75 T HA 0.217 4.568 4.350 0.001 0.000 0.261 75 T C 1.232 176.062 174.700 0.216 0.000 1.110 75 T CA 0.535 62.765 62.100 0.217 0.000 1.113 75 T CB -0.072 68.885 68.868 0.149 0.000 0.917 75 T HN 0.553 nan 8.240 nan 0.000 0.499 76 G N 2.094 110.992 108.800 0.163 0.000 2.564 76 G HA2 -0.339 3.622 3.960 0.001 0.000 0.273 76 G HA3 -0.339 3.622 3.960 0.001 0.000 0.273 76 G C -0.203 174.752 174.900 0.092 0.000 1.242 76 G CA -0.045 45.118 45.100 0.104 0.000 0.951 76 G HN 0.792 nan 8.290 nan 0.000 0.564 77 R N 1.311 121.847 120.500 0.060 0.000 2.308 77 R HA 0.523 4.864 4.340 0.001 0.000 0.325 77 R C 0.739 177.072 176.300 0.055 0.000 1.161 77 R CA 0.679 56.801 56.100 0.036 0.000 1.022 77 R CB -0.501 29.788 30.300 -0.018 0.000 1.091 77 R HN 1.067 nan 8.270 nan 0.000 0.497 78 G N 1.889 110.735 108.800 0.076 0.000 3.135 78 G HA2 0.208 4.169 3.960 0.001 0.000 0.278 78 G HA3 0.208 4.169 3.960 0.001 0.000 0.278 78 G C 0.412 175.380 174.900 0.114 0.000 1.302 78 G CA -0.680 44.472 45.100 0.087 0.000 0.880 78 G HN 0.470 nan 8.290 nan 0.000 0.574 79 L N -0.289 121.009 121.223 0.124 0.000 2.141 79 L HA 0.096 4.436 4.340 0.001 0.000 0.209 79 L C 2.746 179.699 176.870 0.138 0.000 1.094 79 L CA 0.688 55.652 54.840 0.207 0.000 0.763 79 L CB -0.170 41.983 42.059 0.157 0.000 0.908 79 L HN 0.327 nan 8.230 nan 0.000 0.437 80 L N -0.777 120.477 121.223 0.052 0.000 2.179 80 L HA -0.108 4.232 4.340 0.001 0.000 0.208 80 L C 2.417 179.175 176.870 -0.188 0.000 1.096 80 L CA 1.562 56.371 54.840 -0.052 0.000 0.779 80 L CB -0.276 41.804 42.059 0.035 0.000 0.922 80 L HN 0.405 nan 8.230 nan 0.000 0.443 81 T N -5.575 108.959 114.554 -0.033 0.000 3.040 81 T HA 0.064 4.414 4.350 0.001 0.000 0.250 81 T C 0.540 175.307 174.700 0.111 0.000 1.058 81 T CA -0.390 61.715 62.100 0.008 0.000 0.988 81 T CB 0.166 69.106 68.868 0.121 0.000 0.993 81 T HN -0.023 nan 8.240 nan 0.000 0.519 82 D N 1.070 121.519 120.400 0.082 0.000 2.387 82 D HA 0.546 5.187 4.640 0.001 0.000 0.251 82 D C -0.585 175.825 176.300 0.183 0.000 1.141 82 D CA -0.661 53.381 54.000 0.070 0.000 0.987 82 D CB 1.048 41.902 40.800 0.090 0.000 1.116 82 D HN 0.570 nan 8.370 nan 0.000 0.491 83 W N -0.272 121.021 121.300 -0.012 0.000 2.959 83 W HA 0.593 5.254 4.660 0.002 0.000 0.358 83 W C -0.005 176.588 176.519 0.123 0.000 1.228 83 W CA -0.433 56.865 57.345 -0.078 0.000 1.183 83 W CB 0.065 29.410 29.460 -0.190 0.000 1.467 83 W HN 0.795 nan 8.180 nan 0.000 0.578 84 G N 0.638 109.653 108.800 0.359 0.000 2.593 84 G HA2 -0.318 3.643 3.960 0.001 0.000 0.237 84 G HA3 -0.318 3.643 3.960 0.001 0.000 0.237 84 G C 0.400 175.454 174.900 0.257 0.000 1.312 84 G CA 0.671 45.927 45.100 0.261 0.000 0.896 84 G HN 0.989 nan 8.290 nan 0.000 0.574 85 E N 0.164 120.437 120.200 0.122 0.000 2.106 85 E HA -0.057 4.294 4.350 0.001 0.000 0.192 85 E C 2.911 179.530 176.600 0.031 0.000 0.984 85 E CA 2.392 58.838 56.400 0.077 0.000 0.806 85 E CB -0.425 29.295 29.700 0.033 0.000 0.750 85 E HN 0.898 nan 8.360 nan 0.000 0.458 86 S N -0.771 114.934 115.700 0.010 0.000 2.402 86 S HA -0.168 4.303 4.470 0.001 0.000 0.229 86 S C 1.994 176.599 174.600 0.008 0.000 1.021 86 S CA 0.876 59.067 58.200 -0.015 0.000 0.974 86 S CB -0.949 62.223 63.200 -0.046 0.000 0.800 86 S HN 0.557 nan 8.310 nan 0.000 0.484 87 W N 2.673 123.934 121.300 -0.066 0.000 2.354 87 W HA -0.027 4.634 4.660 0.001 0.000 0.315 87 W C 2.296 178.808 176.519 -0.012 0.000 1.206 87 W CA 1.606 58.931 57.345 -0.033 0.000 1.290 87 W CB -0.527 28.929 29.460 -0.006 0.000 1.152 87 W HN 0.235 nan 8.180 nan 0.000 0.489 88 K N 0.263 120.401 120.400 -0.437 0.000 2.103 88 K HA -0.288 4.033 4.320 0.001 0.000 0.207 88 K C 2.198 178.514 176.600 -0.474 0.000 1.048 88 K CA 2.039 57.886 56.287 -0.733 0.000 0.930 88 K CB -0.449 31.933 32.500 -0.196 0.000 0.716 88 K HN 0.388 nan 8.250 nan 0.000 0.444 89 E N -0.331 119.715 120.200 -0.258 0.000 2.072 89 E HA -0.166 4.185 4.350 0.001 0.000 0.191 89 E C 1.747 178.236 176.600 -0.185 0.000 0.985 89 E CA 0.983 57.278 56.400 -0.176 0.000 0.801 89 E CB -0.081 29.561 29.700 -0.097 0.000 0.750 89 E HN 0.383 nan 8.360 nan 0.000 0.452 90 A N 1.293 123.994 122.820 -0.198 0.000 1.898 90 A HA -0.144 4.177 4.320 0.001 0.000 0.216 90 A C 2.202 179.673 177.584 -0.188 0.000 1.181 90 A CA 1.401 53.358 52.037 -0.133 0.000 0.620 90 A CB -0.495 18.461 19.000 -0.074 0.000 0.819 90 A HN 0.208 nan 8.150 nan 0.000 0.442 91 R N -0.037 120.231 120.500 -0.388 0.000 2.073 91 R HA -0.165 4.175 4.340 0.001 0.000 0.234 91 R C 2.288 178.452 176.300 -0.226 0.000 1.134 91 R CA 1.953 57.835 56.100 -0.362 0.000 0.952 91 R CB -0.266 29.647 30.300 -0.645 0.000 0.850 91 R HN 0.535 nan 8.270 nan 0.000 0.433 92 K N -0.220 120.028 120.400 -0.253 0.000 2.063 92 K HA -0.136 4.185 4.320 0.001 0.000 0.208 92 K C 1.781 178.335 176.600 -0.077 0.000 1.048 92 K CA 1.592 57.791 56.287 -0.147 0.000 0.928 92 K CB -0.155 32.255 32.500 -0.151 0.000 0.713 92 K HN 0.275 nan 8.250 nan 0.000 0.442 93 A N 0.529 123.310 122.820 -0.065 0.000 2.066 93 A HA 0.008 4.328 4.320 0.001 0.000 0.218 93 A C 1.799 179.412 177.584 0.048 0.000 1.157 93 A CA 0.869 52.903 52.037 -0.005 0.000 0.670 93 A CB -0.154 18.855 19.000 0.015 0.000 0.804 93 A HN 0.334 nan 8.150 nan 0.000 0.453 94 L N -0.780 120.467 121.223 0.040 0.000 2.616 94 L HA 0.053 4.393 4.340 0.001 0.000 0.229 94 L C 2.182 179.157 176.870 0.176 0.000 1.110 94 L CA 0.671 55.571 54.840 0.101 0.000 0.884 94 L CB 0.001 42.109 42.059 0.082 0.000 1.115 94 L HN 0.524 nan 8.230 nan 0.000 0.481 95 K N -0.836 119.638 120.400 0.122 0.000 2.296 95 K HA -0.087 4.234 4.320 0.001 0.000 0.200 95 K C 0.890 177.605 176.600 0.191 0.000 1.048 95 K CA 0.967 57.361 56.287 0.179 0.000 0.966 95 K CB -0.015 32.529 32.500 0.072 0.000 0.754 95 K HN 0.021 nan 8.250 nan 0.000 0.466 96 D N 2.198 122.660 120.400 0.103 0.000 2.092 96 D HA -0.110 4.531 4.640 0.001 0.000 0.193 96 D C -0.933 175.365 176.300 -0.002 0.000 0.994 96 D CA 1.115 55.142 54.000 0.045 0.000 0.828 96 D CB -1.282 39.531 40.800 0.021 0.000 0.963 96 D HN 0.265 nan 8.370 nan 0.000 0.450 97 P HA -0.055 nan 4.420 nan 0.000 0.231 97 P C 0.597 177.656 177.300 -0.403 0.000 1.158 97 P CA 0.827 63.776 63.100 -0.251 0.000 0.763 97 P CB -0.174 31.249 31.700 -0.461 0.000 0.805 98 F N -1.963 118.047 119.950 0.101 0.000 2.678 98 F HA 0.194 4.721 4.527 0.001 0.000 0.305 98 F C 1.336 177.185 175.800 0.080 0.000 1.090 98 F CA -0.355 57.720 58.000 0.124 0.000 1.272 98 F CB -0.005 39.037 39.000 0.070 0.000 1.060 98 F HN -0.244 nan 8.300 nan 0.000 0.576 99 L N 1.213 122.522 121.223 0.144 0.000 2.472 99 L HA 0.083 4.424 4.340 0.001 0.000 0.260 99 L C -1.045 175.839 176.870 0.023 0.000 1.209 99 L CA -1.562 53.325 54.840 0.078 0.000 0.817 99 L CB 0.260 42.337 42.059 0.030 0.000 1.106 99 L HN -0.166 nan 8.230 nan 0.000 0.479 100 P HA -0.222 nan 4.420 nan 0.000 0.216 100 P C 1.343 178.603 177.300 -0.066 0.000 1.157 100 P CA 1.386 64.478 63.100 -0.014 0.000 0.880 100 P CB 0.103 31.801 31.700 -0.003 0.000 0.791 101 K N -0.842 119.515 120.400 -0.071 0.000 2.057 101 K HA -0.153 4.167 4.320 0.001 0.000 0.207 101 K C 1.723 178.215 176.600 -0.180 0.000 1.049 101 K CA 1.466 57.693 56.287 -0.100 0.000 0.931 101 K CB -0.347 32.110 32.500 -0.071 0.000 0.714 101 K HN 0.030 nan 8.250 nan 0.000 0.440 102 N N 0.507 119.074 118.700 -0.222 0.000 2.250 102 N HA -0.101 4.640 4.740 0.001 0.000 0.181 102 N C 1.878 176.885 175.510 -0.839 0.000 1.017 102 N CA 0.918 53.718 53.050 -0.416 0.000 0.866 102 N CB -0.168 38.143 38.487 -0.294 0.000 0.985 102 N HN -0.001 nan 8.380 nan 0.000 0.429 103 V N 1.938 121.544 119.914 -0.514 0.000 2.343 103 V HA -0.202 3.919 4.120 0.001 0.000 0.247 103 V C 2.356 178.226 176.094 -0.374 0.000 1.051 103 V CA 1.440 63.485 62.300 -0.425 0.000 1.036 103 V CB -0.423 31.391 31.823 -0.016 0.000 0.654 103 V HN 0.261 nan 8.190 nan 0.000 0.451 104 R N 0.188 120.538 120.500 -0.249 0.000 2.117 104 R HA -0.158 4.183 4.340 0.001 0.000 0.243 104 R C 2.325 178.509 176.300 -0.193 0.000 1.143 104 R CA 1.554 57.549 56.100 -0.176 0.000 0.968 104 R CB -0.778 29.454 30.300 -0.113 0.000 0.863 104 R HN 0.602 nan 8.270 nan 0.000 0.444 105 G N -0.750 107.877 108.800 -0.288 0.000 2.679 105 G HA2 -0.189 3.772 3.960 0.001 0.000 0.212 105 G HA3 -0.189 3.772 3.960 0.001 0.000 0.212 105 G C 0.889 175.726 174.900 -0.105 0.000 1.137 105 G CA 0.116 45.096 45.100 -0.200 0.000 0.787 105 G HN 0.415 nan 8.290 nan 0.000 0.534 106 Y N -0.284 119.965 120.300 -0.086 0.000 2.516 106 Y HA 0.071 4.621 4.550 0.001 0.000 0.291 106 Y C 2.823 178.648 175.900 -0.124 0.000 1.131 106 Y CA 0.317 58.349 58.100 -0.114 0.000 1.281 106 Y CB 0.005 38.358 38.460 -0.178 0.000 1.013 106 Y HN 0.108 nan 8.280 nan 0.000 0.554 107 R N 1.564 122.065 120.500 0.002 0.000 2.094 107 R HA -0.275 4.066 4.340 0.001 0.000 0.239 107 R C 2.117 178.407 176.300 -0.017 0.000 1.137 107 R CA 2.251 58.334 56.100 -0.028 0.000 0.943 107 R CB -0.339 29.938 30.300 -0.039 0.000 0.850 107 R HN 0.428 nan 8.270 nan 0.000 0.433 108 E N -0.433 119.763 120.200 -0.008 0.000 2.049 108 E HA -0.251 4.100 4.350 0.001 0.000 0.198 108 E C 1.757 178.355 176.600 -0.004 0.000 1.007 108 E CA 1.762 58.159 56.400 -0.005 0.000 0.809 108 E CB -0.203 29.495 29.700 -0.003 0.000 0.749 108 E HN 0.536 nan 8.360 nan 0.000 0.450 109 A N 0.293 123.115 122.820 0.004 0.000 1.968 109 A HA -0.092 4.229 4.320 0.001 0.000 0.217 109 A C 2.166 179.737 177.584 -0.022 0.000 1.169 109 A CA 1.230 53.265 52.037 -0.003 0.000 0.638 109 A CB -0.392 18.612 19.000 0.007 0.000 0.812 109 A HN 0.300 nan 8.150 nan 0.000 0.446 110 M N -0.741 118.837 119.600 -0.036 0.000 2.117 110 M HA -0.197 4.284 4.480 0.001 0.000 0.262 110 M C 2.026 178.297 176.300 -0.049 0.000 1.065 110 M CA 1.787 57.048 55.300 -0.066 0.000 1.114 110 M CB -0.470 32.068 32.600 -0.103 0.000 1.361 110 M HN 0.481 nan 8.290 nan 0.000 0.408 111 E N -0.048 120.134 120.200 -0.029 0.000 2.077 111 E HA -0.241 4.110 4.350 0.001 0.000 0.193 111 E C 1.922 178.519 176.600 -0.004 0.000 0.989 111 E CA 1.256 57.650 56.400 -0.010 0.000 0.800 111 E CB -0.027 29.670 29.700 -0.005 0.000 0.746 111 E HN 0.325 nan 8.360 nan 0.000 0.452 112 E N 1.165 121.360 120.200 -0.009 0.000 2.072 112 E HA -0.207 4.144 4.350 0.001 0.000 0.190 112 E C 1.799 178.394 176.600 -0.009 0.000 0.982 112 E CA 1.375 57.772 56.400 -0.005 0.000 0.803 112 E CB -0.017 29.681 29.700 -0.004 0.000 0.755 112 E HN 0.151 nan 8.360 nan 0.000 0.453 113 E N -0.185 120.001 120.200 -0.023 0.000 2.051 113 E HA -0.111 4.240 4.350 0.001 0.000 0.192 113 E C 1.876 178.440 176.600 -0.060 0.000 0.991 113 E CA 1.545 57.925 56.400 -0.033 0.000 0.799 113 E CB -0.425 29.245 29.700 -0.051 0.000 0.748 113 E HN 0.299 nan 8.360 nan 0.000 0.449 114 A N 1.044 123.815 122.820 -0.083 0.000 1.930 114 A HA -0.182 4.139 4.320 0.001 0.000 0.217 114 A C 2.244 179.817 177.584 -0.018 0.000 1.175 114 A CA 1.597 53.557 52.037 -0.129 0.000 0.627 114 A CB -0.599 18.384 19.000 -0.029 0.000 0.815 114 A HN 0.239 nan 8.150 nan 0.000 0.443 115 R N -0.223 120.299 120.500 0.038 0.000 2.073 115 R HA -0.108 4.233 4.340 0.001 0.000 0.234 115 R C 2.309 178.630 176.300 0.035 0.000 1.134 115 R CA 1.539 57.679 56.100 0.066 0.000 0.952 115 R CB -0.474 29.847 30.300 0.035 0.000 0.850 115 R HN 0.410 nan 8.270 nan 0.000 0.433 116 A N 0.560 123.386 122.820 0.011 0.000 1.908 116 A HA -0.204 4.117 4.320 0.001 0.000 0.218 116 A C 2.037 179.608 177.584 -0.022 0.000 1.181 116 A CA 1.388 53.427 52.037 0.002 0.000 0.627 116 A CB -0.833 18.172 19.000 0.008 0.000 0.818 116 A HN 0.535 nan 8.150 nan 0.000 0.445 117 F N -0.498 119.303 119.950 -0.249 0.000 2.075 117 F HA -0.157 4.371 4.527 0.001 0.000 0.297 117 F C 1.922 177.395 175.800 -0.545 0.000 1.113 117 F CA 1.948 59.701 58.000 -0.412 0.000 1.218 117 F CB -0.271 38.363 39.000 -0.609 0.000 0.984 117 F HN 0.239 nan 8.300 nan 0.000 0.472 118 F N -0.261 119.553 119.950 -0.226 0.000 2.558 118 F HA 0.046 4.574 4.527 0.001 0.000 0.298 118 F C 2.479 178.169 175.800 -0.184 0.000 1.119 118 F CA 0.409 58.133 58.000 -0.460 0.000 1.451 118 F CB -0.785 38.095 39.000 -0.200 0.000 1.091 118 F HN 0.065 nan 8.300 nan 0.000 0.563 119 G N -0.359 108.465 108.800 0.040 0.000 2.484 119 G HA2 -0.152 3.808 3.960 0.001 0.000 0.218 119 G HA3 -0.152 3.808 3.960 0.001 0.000 0.218 119 G C 1.473 176.424 174.900 0.084 0.000 1.130 119 G CA 0.364 45.491 45.100 0.045 0.000 0.784 119 G HN 0.148 nan 8.290 nan 0.000 0.543 120 E N -0.343 119.906 120.200 0.081 0.000 2.418 120 E HA -0.005 4.346 4.350 0.001 0.000 0.197 120 E C 0.191 177.012 176.600 0.368 0.000 1.026 120 E CA -0.015 56.480 56.400 0.159 0.000 0.862 120 E CB 0.019 29.772 29.700 0.088 0.000 0.799 120 E HN 0.428 nan 8.360 nan 0.000 0.518 121 W N 0.778 122.153 121.300 0.125 0.000 2.251 121 W HA 0.230 4.891 4.660 0.001 0.000 0.329 121 W C 1.346 177.989 176.519 0.207 0.000 1.234 121 W CA -0.595 56.840 57.345 0.151 0.000 1.228 121 W CB 0.559 30.149 29.460 0.217 0.000 1.135 121 W HN -0.180 nan 8.180 nan 0.000 0.576 122 R N 0.967 121.628 120.500 0.269 0.000 2.549 122 R HA 0.240 4.581 4.340 0.001 0.000 0.344 122 R C 0.982 177.354 176.300 0.120 0.000 0.979 122 R CA 0.406 56.618 56.100 0.187 0.000 1.140 122 R CB 0.576 30.930 30.300 0.091 0.000 1.377 122 R HN 0.868 nan 8.270 nan 0.000 0.541 123 G N 1.801 110.628 108.800 0.046 0.000 2.179 123 G HA2 -0.255 3.706 3.960 0.001 0.000 0.220 123 G HA3 -0.255 3.706 3.960 0.001 0.000 0.220 123 G C 0.180 175.012 174.900 -0.113 0.000 0.990 123 G CA 0.192 45.269 45.100 -0.039 0.000 0.646 123 G HN 0.356 nan 8.290 nan 0.000 0.517 124 E N 1.463 121.574 120.200 -0.148 0.000 2.425 124 E HA 0.242 4.593 4.350 0.001 0.000 0.258 124 E C 0.150 176.595 176.600 -0.258 0.000 1.151 124 E CA -0.060 56.230 56.400 -0.184 0.000 0.958 124 E CB 0.791 30.373 29.700 -0.197 0.000 0.968 124 E HN 0.521 nan 8.360 nan 0.000 0.451 125 E N 0.679 120.746 120.200 -0.222 0.000 2.354 125 E HA 0.096 4.447 4.350 0.001 0.000 0.269 125 E C -0.530 175.873 176.600 -0.329 0.000 1.036 125 E CA -0.397 55.860 56.400 -0.239 0.000 0.876 125 E CB 0.624 30.221 29.700 -0.172 0.000 1.009 125 E HN 0.260 nan 8.360 nan 0.000 0.416 126 R N 2.862 123.138 120.500 -0.373 0.000 2.686 126 R HA 0.189 4.530 4.340 0.001 0.000 0.283 126 R C -1.232 174.912 176.300 -0.260 0.000 0.978 126 R CA -0.888 54.952 56.100 -0.434 0.000 0.897 126 R CB 1.504 31.319 30.300 -0.808 0.000 1.192 126 R HN 0.586 nan 8.270 nan 0.000 0.457 127 D N 3.331 123.631 120.400 -0.167 0.000 2.365 127 D HA 0.108 4.749 4.640 0.001 0.000 0.237 127 D C 1.040 177.326 176.300 -0.023 0.000 1.190 127 D CA -0.151 53.795 54.000 -0.090 0.000 0.867 127 D CB 0.768 41.536 40.800 -0.053 0.000 1.050 127 D HN 0.447 nan 8.370 nan 0.000 0.491 128 L N 2.795 123.979 121.223 -0.066 0.000 2.156 128 L HA -0.070 4.271 4.340 0.001 0.000 0.208 128 L C 1.798 178.687 176.870 0.031 0.000 1.095 128 L CA 0.682 55.512 54.840 -0.017 0.000 0.770 128 L CB -0.213 41.748 42.059 -0.163 0.000 0.914 128 L HN 0.415 nan 8.230 nan 0.000 0.439 129 D N -0.248 120.131 120.400 -0.035 0.000 2.084 129 D HA -0.284 4.357 4.640 0.001 0.000 0.194 129 D C 2.140 178.452 176.300 0.021 0.000 0.990 129 D CA 1.591 55.555 54.000 -0.060 0.000 0.826 129 D CB 0.087 40.813 40.800 -0.124 0.000 0.971 129 D HN 0.316 nan 8.370 nan 0.000 0.453 130 H N -0.023 119.038 119.070 -0.015 0.000 2.353 130 H HA -0.017 4.540 4.556 0.001 0.000 0.300 130 H C 1.818 177.210 175.328 0.107 0.000 1.090 130 H CA 1.795 57.859 56.048 0.027 0.000 1.327 130 H CB 0.100 29.867 29.762 0.009 0.000 1.383 130 H HN 0.092 nan 8.280 nan 0.000 0.508 131 E N -0.215 120.102 120.200 0.195 0.000 2.150 131 E HA -0.121 4.230 4.350 0.001 0.000 0.193 131 E C 2.061 178.792 176.600 0.218 0.000 0.985 131 E CA 0.697 57.305 56.400 0.346 0.000 0.814 131 E CB -0.046 30.046 29.700 0.653 0.000 0.752 131 E HN 0.553 nan 8.360 nan 0.000 0.466 132 M N 0.139 119.818 119.600 0.131 0.000 2.349 132 M HA -0.003 4.477 4.480 0.001 0.000 0.266 132 M C 2.391 178.691 176.300 0.001 0.000 1.076 132 M CA 0.660 55.995 55.300 0.059 0.000 1.126 132 M CB -0.790 31.879 32.600 0.115 0.000 1.392 132 M HN 0.079 nan 8.290 nan 0.000 0.440 133 L N -0.108 121.101 121.223 -0.024 0.000 2.042 133 L HA -0.208 4.133 4.340 0.001 0.000 0.210 133 L C 2.702 179.647 176.870 0.123 0.000 1.076 133 L CA 1.383 56.218 54.840 -0.008 0.000 0.749 133 L CB -0.871 41.125 42.059 -0.106 0.000 0.893 133 L HN 0.269 nan 8.230 nan 0.000 0.432 134 A N -0.277 122.542 122.820 -0.002 0.000 1.877 134 A HA -0.224 4.097 4.320 0.001 0.000 0.216 134 A C 2.168 179.725 177.584 -0.046 0.000 1.186 134 A CA 1.773 53.832 52.037 0.036 0.000 0.620 134 A CB -0.648 18.434 19.000 0.137 0.000 0.822 134 A HN 0.330 nan 8.150 nan 0.000 0.443 135 L N -0.213 120.837 121.223 -0.289 0.000 2.072 135 L HA -0.028 4.313 4.340 0.001 0.000 0.205 135 L C 2.582 179.301 176.870 -0.251 0.000 1.079 135 L CA 2.471 56.929 54.840 -0.636 0.000 0.752 135 L CB -0.814 40.546 42.059 -1.166 0.000 0.906 135 L HN 0.372 nan 8.230 nan 0.000 0.436 136 S N -0.748 114.901 115.700 -0.084 0.000 2.370 136 S HA -0.223 4.248 4.470 0.001 0.000 0.226 136 S C 2.075 176.727 174.600 0.086 0.000 1.033 136 S CA 1.804 60.048 58.200 0.072 0.000 1.011 136 S CB -0.543 62.771 63.200 0.190 0.000 0.852 136 S HN 0.435 nan 8.310 nan 0.000 0.457 137 L N 1.556 122.791 121.223 0.020 0.000 2.141 137 L HA 0.127 4.467 4.340 0.001 0.000 0.209 137 L C 2.512 179.337 176.870 -0.076 0.000 1.094 137 L CA 1.500 56.245 54.840 -0.159 0.000 0.763 137 L CB -0.505 41.361 42.059 -0.323 0.000 0.908 137 L HN 0.250 nan 8.230 nan 0.000 0.437 138 R N -0.880 119.585 120.500 -0.058 0.000 2.066 138 R HA -0.111 4.230 4.340 0.001 0.000 0.232 138 R C 2.208 178.494 176.300 -0.024 0.000 1.131 138 R CA 1.711 57.787 56.100 -0.040 0.000 0.955 138 R CB -0.604 29.668 30.300 -0.047 0.000 0.851 138 R HN 0.350 nan 8.270 nan 0.000 0.432 139 L N 0.484 121.687 121.223 -0.034 0.000 2.017 139 L HA -0.210 4.131 4.340 0.001 0.000 0.208 139 L C 2.482 179.418 176.870 0.109 0.000 1.073 139 L CA 0.855 55.698 54.840 0.004 0.000 0.745 139 L CB -0.542 41.504 42.059 -0.022 0.000 0.894 139 L HN 0.161 nan 8.230 nan 0.000 0.432 140 L N 0.275 121.594 121.223 0.161 0.000 2.017 140 L HA -0.082 4.259 4.340 0.001 0.000 0.208 140 L C 2.374 179.330 176.870 0.143 0.000 1.073 140 L CA 2.161 57.122 54.840 0.202 0.000 0.745 140 L CB -1.053 41.079 42.059 0.121 0.000 0.894 140 L HN 0.153 nan 8.230 nan 0.000 0.432 141 G N -1.123 107.748 108.800 0.119 0.000 2.433 141 G HA2 -0.334 3.627 3.960 0.001 0.000 0.216 141 G HA3 -0.334 3.627 3.960 0.001 0.000 0.216 141 G C 1.715 176.697 174.900 0.136 0.000 1.186 141 G CA 0.828 46.036 45.100 0.180 0.000 0.779 141 G HN 0.344 nan 8.290 nan 0.000 0.543 142 R N 1.223 121.754 120.500 0.051 0.000 2.083 142 R HA 0.017 4.358 4.340 0.001 0.000 0.237 142 R C 2.752 179.023 176.300 -0.049 0.000 1.137 142 R CA 2.114 58.220 56.100 0.011 0.000 0.951 142 R CB -1.024 29.272 30.300 -0.007 0.000 0.851 142 R HN 0.265 nan 8.270 nan 0.000 0.434 143 A N 0.056 122.807 122.820 -0.115 0.000 1.877 143 A HA -0.064 4.257 4.320 0.001 0.000 0.216 143 A C 2.246 179.532 177.584 -0.496 0.000 1.186 143 A CA 1.666 53.471 52.037 -0.387 0.000 0.620 143 A CB -0.479 18.209 19.000 -0.521 0.000 0.822 143 A HN 0.366 nan 8.150 nan 0.000 0.443 144 L N -3.129 117.856 121.223 -0.397 0.000 2.477 144 L HA 0.197 4.538 4.340 0.001 0.000 0.220 144 L C 1.342 177.719 176.870 -0.823 0.000 1.106 144 L CA 0.441 54.891 54.840 -0.650 0.000 0.851 144 L CB 0.082 41.692 42.059 -0.750 0.000 0.994 144 L HN 0.419 nan 8.230 nan 0.000 0.462 145 F N -1.530 118.365 119.950 -0.093 0.000 2.817 145 F HA 0.351 4.879 4.527 0.001 0.000 0.333 145 F C 1.662 177.434 175.800 -0.046 0.000 1.085 145 F CA 0.400 58.370 58.000 -0.050 0.000 1.170 145 F CB 0.952 39.931 39.000 -0.034 0.000 1.066 145 F HN 0.002 nan 8.300 nan 0.000 0.564 146 G N 1.432 110.277 108.800 0.075 0.000 2.217 146 G HA2 -0.273 3.688 3.960 0.001 0.000 0.246 146 G HA3 -0.273 3.688 3.960 0.001 0.000 0.246 146 G C 0.126 175.055 174.900 0.049 0.000 0.990 146 G CA 0.341 45.465 45.100 0.039 0.000 0.627 146 G HN 0.458 nan 8.290 nan 0.000 0.522 147 K N -0.584 119.866 120.400 0.084 0.000 2.527 147 K HA 0.654 4.975 4.320 0.001 0.000 0.260 147 K C -3.368 173.259 176.600 0.046 0.000 0.937 147 K CA -2.379 53.937 56.287 0.048 0.000 0.826 147 K CB 2.360 34.879 32.500 0.032 0.000 1.359 147 K HN -0.054 nan 8.250 nan 0.000 0.434 148 P HA -0.099 nan 4.420 nan 0.000 0.264 148 P C -0.501 176.778 177.300 -0.035 0.000 1.173 148 P CA 0.204 63.303 63.100 -0.002 0.000 0.761 148 P CB 0.325 32.022 31.700 -0.006 0.000 0.794 149 L N 1.558 122.741 121.223 -0.066 0.000 2.452 149 L HA 0.104 4.444 4.340 0.001 0.000 0.267 149 L C 1.225 178.024 176.870 -0.119 0.000 1.188 149 L CA -0.208 54.552 54.840 -0.132 0.000 0.821 149 L CB 0.234 42.191 42.059 -0.171 0.000 1.102 149 L HN 0.386 nan 8.230 nan 0.000 0.470 150 S N 2.802 118.428 115.700 -0.123 0.000 2.596 150 S HA 0.051 4.521 4.470 0.001 0.000 0.298 150 S C -1.485 173.058 174.600 -0.096 0.000 1.255 150 S CA -1.045 57.100 58.200 -0.092 0.000 1.083 150 S CB 0.587 63.736 63.200 -0.085 0.000 0.837 150 S HN 0.375 nan 8.310 nan 0.000 0.499 151 P HA -0.123 nan 4.420 nan 0.000 0.216 151 P C 1.748 178.996 177.300 -0.087 0.000 1.150 151 P CA 1.442 64.501 63.100 -0.068 0.000 0.837 151 P CB -0.157 31.523 31.700 -0.034 0.000 0.786 152 S N -0.396 115.244 115.700 -0.100 0.000 2.383 152 S HA -0.186 4.285 4.470 0.001 0.000 0.229 152 S C 1.927 176.422 174.600 -0.176 0.000 1.030 152 S CA 1.286 59.377 58.200 -0.181 0.000 1.002 152 S CB -1.717 61.414 63.200 -0.116 0.000 0.829 152 S HN 0.104 nan 8.310 nan 0.000 0.467 153 L N 1.773 122.959 121.223 -0.061 0.000 2.056 153 L HA 0.166 4.507 4.340 0.001 0.000 0.207 153 L C 2.667 179.526 176.870 -0.018 0.000 1.078 153 L CA 1.694 56.531 54.840 -0.005 0.000 0.749 153 L CB -0.951 41.069 42.059 -0.065 0.000 0.901 153 L HN 0.331 nan 8.230 nan 0.000 0.433 154 A N -0.634 122.151 122.820 -0.059 0.000 1.898 154 A HA -0.254 4.067 4.320 0.001 0.000 0.216 154 A C 2.326 179.939 177.584 0.048 0.000 1.181 154 A CA 1.750 53.781 52.037 -0.011 0.000 0.620 154 A CB -0.754 18.187 19.000 -0.099 0.000 0.819 154 A HN 0.656 nan 8.150 nan 0.000 0.442 155 E N -0.919 119.266 120.200 -0.025 0.000 2.106 155 E HA -0.237 4.114 4.350 0.001 0.000 0.192 155 E C 1.718 178.312 176.600 -0.010 0.000 0.984 155 E CA 1.213 57.591 56.400 -0.037 0.000 0.806 155 E CB -0.233 29.390 29.700 -0.130 0.000 0.750 155 E HN 0.850 nan 8.360 nan 0.000 0.458 156 H N -0.455 118.628 119.070 0.021 0.000 2.353 156 H HA -0.060 4.497 4.556 0.002 0.000 0.300 156 H C 2.096 177.436 175.328 0.020 0.000 1.090 156 H CA 1.052 57.106 56.048 0.009 0.000 1.327 156 H CB 0.031 29.784 29.762 -0.015 0.000 1.383 156 H HN 0.290 nan 8.280 nan 0.000 0.508 157 A N 0.986 123.892 122.820 0.144 0.000 1.865 157 A HA -0.169 4.151 4.320 0.001 0.000 0.217 157 A C 2.320 179.978 177.584 0.123 0.000 1.191 157 A CA 1.472 53.576 52.037 0.111 0.000 0.623 157 A CB -0.838 18.215 19.000 0.089 0.000 0.826 157 A HN 0.300 nan 8.150 nan 0.000 0.444 158 L N -0.869 120.426 121.223 0.119 0.000 2.083 158 L HA -0.198 4.143 4.340 0.001 0.000 0.209 158 L C 2.569 179.506 176.870 0.111 0.000 1.083 158 L CA 1.746 56.649 54.840 0.106 0.000 0.752 158 L CB -0.450 41.661 42.059 0.087 0.000 0.899 158 L HN 0.337 nan 8.230 nan 0.000 0.433 159 K N 0.079 120.549 120.400 0.117 0.000 2.097 159 K HA -0.102 4.218 4.320 0.001 0.000 0.205 159 K C 2.274 178.979 176.600 0.174 0.000 1.050 159 K CA 1.249 57.614 56.287 0.129 0.000 0.938 159 K CB -0.221 32.355 32.500 0.127 0.000 0.718 159 K HN 0.289 nan 8.250 nan 0.000 0.442 160 A N 1.331 124.262 122.820 0.185 0.000 1.873 160 A HA -0.100 4.221 4.320 0.001 0.000 0.215 160 A C 2.102 179.892 177.584 0.344 0.000 1.186 160 A CA 1.102 53.309 52.037 0.284 0.000 0.616 160 A CB -0.567 18.506 19.000 0.122 0.000 0.823 160 A HN 0.146 nan 8.150 nan 0.000 0.442 161 L N -0.529 120.827 121.223 0.222 0.000 2.093 161 L HA -0.184 4.157 4.340 0.001 0.000 0.208 161 L C 2.031 178.985 176.870 0.139 0.000 1.085 161 L CA 1.339 56.285 54.840 0.177 0.000 0.755 161 L CB -0.495 41.645 42.059 0.135 0.000 0.904 161 L HN 0.311 nan 8.230 nan 0.000 0.435 162 D N -0.473 120.004 120.400 0.130 0.000 2.117 162 D HA -0.201 4.440 4.640 0.001 0.000 0.197 162 D C 2.205 178.559 176.300 0.089 0.000 0.987 162 D CA 0.885 54.945 54.000 0.099 0.000 0.829 162 D CB -0.047 40.806 40.800 0.089 0.000 0.961 162 D HN 0.041 nan 8.370 nan 0.000 0.460 163 R N 0.808 121.380 120.500 0.119 0.000 2.083 163 R HA -0.035 4.305 4.340 0.001 0.000 0.237 163 R C 2.230 178.524 176.300 -0.010 0.000 1.137 163 R CA 1.017 57.162 56.100 0.075 0.000 0.951 163 R CB -0.838 29.555 30.300 0.154 0.000 0.851 163 R HN 0.190 nan 8.270 nan 0.000 0.434 164 I N -0.167 120.403 120.570 0.000 0.000 2.226 164 I HA -0.288 3.882 4.170 0.001 0.000 0.245 164 I C 2.373 178.488 176.117 -0.003 0.000 1.100 164 I CA 1.183 62.451 61.300 -0.053 0.000 1.374 164 I CB -0.261 37.755 38.000 0.027 0.000 1.057 164 I HN 0.274 nan 8.210 nan 0.000 0.413 165 M N 0.375 119.999 119.600 0.040 0.000 2.159 165 M HA -0.182 4.299 4.480 0.001 0.000 0.263 165 M C 2.455 178.778 176.300 0.038 0.000 1.063 165 M CA 2.122 57.454 55.300 0.053 0.000 1.110 165 M CB -0.845 31.804 32.600 0.081 0.000 1.374 165 M HN 0.310 nan 8.290 nan 0.000 0.411 166 A N -0.671 122.163 122.820 0.024 0.000 1.969 166 A HA -0.178 4.143 4.320 0.001 0.000 0.218 166 A C 1.970 179.551 177.584 -0.005 0.000 1.169 166 A CA 1.269 53.313 52.037 0.012 0.000 0.635 166 A CB -0.508 18.500 19.000 0.013 0.000 0.810 166 A HN 0.653 nan 8.150 nan 0.000 0.445 167 Q N -0.688 119.098 119.800 -0.023 0.000 2.187 167 Q HA -0.099 4.242 4.340 0.001 0.000 0.199 167 Q C 2.266 178.253 176.000 -0.022 0.000 0.957 167 Q CA 1.683 57.463 55.803 -0.038 0.000 0.857 167 Q CB -0.295 28.395 28.738 -0.079 0.000 0.929 167 Q HN 0.882 nan 8.270 nan 0.000 0.453 168 T N -1.116 113.435 114.554 -0.005 0.000 2.867 168 T HA -0.144 4.207 4.350 0.001 0.000 0.268 168 T C 1.753 176.458 174.700 0.007 0.000 1.057 168 T CA 1.046 63.155 62.100 0.015 0.000 1.136 168 T CB -0.086 68.812 68.868 0.051 0.000 0.874 168 T HN 0.134 nan 8.240 nan 0.000 0.466 169 R N 0.858 121.364 120.500 0.009 0.000 2.246 169 R HA 0.207 4.548 4.340 0.001 0.000 0.199 169 R C 0.038 176.327 176.300 -0.019 0.000 0.984 169 R CA 0.464 56.563 56.100 -0.001 0.000 1.015 169 R CB 0.407 30.714 30.300 0.012 0.000 0.930 169 R HN 0.281 nan 8.270 nan 0.000 0.475 170 S N 0.716 116.405 115.700 -0.019 0.000 2.486 170 S HA 0.235 4.705 4.470 0.001 0.000 0.144 170 S C -2.400 172.187 174.600 -0.021 0.000 1.542 170 S CA -0.889 57.298 58.200 -0.022 0.000 1.262 170 S CB 1.783 64.974 63.200 -0.016 0.000 1.462 170 S HN 0.155 nan 8.310 nan 0.000 0.381 171 P HA 0.099 nan 4.420 nan 0.000 0.237 171 P C 0.410 177.701 177.300 -0.014 0.000 1.178 171 P CA 0.400 63.488 63.100 -0.021 0.000 0.766 171 P CB -0.004 31.682 31.700 -0.023 0.000 0.876 172 L N -1.979 119.237 121.223 -0.012 0.000 2.769 172 L HA 0.353 4.694 4.340 0.001 0.000 0.240 172 L C 1.087 177.955 176.870 -0.003 0.000 1.163 172 L CA -0.587 54.251 54.840 -0.004 0.000 0.962 172 L CB -1.116 40.943 42.059 -0.000 0.000 1.258 172 L HN -0.201 nan 8.230 nan 0.000 0.513 173 A N 0.408 123.224 122.820 -0.007 0.000 2.448 173 A HA 0.332 4.653 4.320 0.001 0.000 0.239 173 A C 0.078 177.661 177.584 -0.003 0.000 1.080 173 A CA -0.355 51.679 52.037 -0.005 0.000 0.779 173 A CB 0.065 19.060 19.000 -0.008 0.000 1.026 173 A HN 0.259 nan 8.150 nan 0.000 0.499 174 L N 1.850 123.073 121.223 0.000 0.000 2.453 174 L HA 0.315 4.656 4.340 0.001 0.000 0.272 174 L C 0.156 177.027 176.870 0.002 0.000 1.182 174 L CA -0.425 54.416 54.840 0.003 0.000 0.858 174 L CB 0.276 42.337 42.059 0.005 0.000 1.120 174 L HN 0.658 nan 8.230 nan 0.000 0.474 175 L N 5.006 126.231 121.223 0.003 0.000 2.667 175 L HA 0.067 4.408 4.340 0.001 0.000 0.278 175 L C -0.376 176.499 176.870 0.008 0.000 1.217 175 L CA 0.926 55.768 54.840 0.004 0.000 0.935 175 L CB -0.382 41.681 42.059 0.007 0.000 1.193 175 L HN 0.776 nan 8.230 nan 0.000 0.493 176 D N 4.825 125.230 120.400 0.009 0.000 2.446 176 D HA 0.156 4.797 4.640 0.001 0.000 0.251 176 D C 0.942 177.255 176.300 0.022 0.000 1.137 176 D CA -0.313 53.696 54.000 0.015 0.000 0.890 176 D CB 0.579 41.388 40.800 0.015 0.000 1.071 176 D HN 0.618 nan 8.370 nan 0.000 0.528 177 L N 2.227 123.463 121.223 0.022 0.000 2.201 177 L HA -0.074 4.267 4.340 0.001 0.000 0.212 177 L C 2.416 179.307 176.870 0.035 0.000 1.105 177 L CA 1.093 55.950 54.840 0.027 0.000 0.775 177 L CB -0.231 41.841 42.059 0.023 0.000 0.913 177 L HN 0.380 nan 8.230 nan 0.000 0.440 178 A N 0.272 123.111 122.820 0.032 0.000 1.873 178 A HA -0.119 4.201 4.320 0.001 0.000 0.215 178 A C 2.537 180.152 177.584 0.051 0.000 1.186 178 A CA 1.634 53.694 52.037 0.037 0.000 0.616 178 A CB -0.652 18.366 19.000 0.031 0.000 0.823 178 A HN 0.365 nan 8.150 nan 0.000 0.442 179 A N -0.566 122.285 122.820 0.052 0.000 1.969 179 A HA -0.082 4.239 4.320 0.001 0.000 0.218 179 A C 1.904 179.552 177.584 0.106 0.000 1.169 179 A CA 1.500 53.579 52.037 0.070 0.000 0.635 179 A CB -0.324 18.708 19.000 0.053 0.000 0.810 179 A HN 0.475 nan 8.150 nan 0.000 0.445 180 E N 0.120 120.373 120.200 0.088 0.000 2.072 180 E HA -0.081 4.270 4.350 0.001 0.000 0.190 180 E C 2.368 179.061 176.600 0.156 0.000 0.982 180 E CA 1.107 57.581 56.400 0.123 0.000 0.803 180 E CB -0.604 29.140 29.700 0.073 0.000 0.755 180 E HN 0.561 nan 8.360 nan 0.000 0.453 181 A N 1.873 124.751 122.820 0.097 0.000 1.883 181 A HA -0.231 4.090 4.320 0.001 0.000 0.217 181 A C 2.228 179.855 177.584 0.072 0.000 1.186 181 A CA 1.711 53.791 52.037 0.072 0.000 0.624 181 A CB -0.545 18.483 19.000 0.047 0.000 0.822 181 A HN 0.119 nan 8.150 nan 0.000 0.444 182 R N -1.906 118.644 120.500 0.085 0.000 2.096 182 R HA -0.171 4.170 4.340 0.001 0.000 0.240 182 R C 2.015 178.375 176.300 0.099 0.000 1.139 182 R CA 1.744 57.894 56.100 0.083 0.000 0.952 182 R CB -0.630 29.727 30.300 0.094 0.000 0.854 182 R HN 0.594 nan 8.270 nan 0.000 0.436 183 F N 1.742 121.709 119.950 0.029 0.000 2.065 183 F HA -0.243 4.285 4.527 0.001 0.000 0.298 183 F C 2.186 177.999 175.800 0.023 0.000 1.112 183 F CA 1.682 59.702 58.000 0.033 0.000 1.212 183 F CB -0.087 38.933 39.000 0.032 0.000 0.975 183 F HN -0.152 nan 8.300 nan 0.000 0.476 184 R N 0.080 120.551 120.500 -0.049 0.000 2.115 184 R HA -0.143 4.198 4.340 0.001 0.000 0.230 184 R C 2.347 178.540 176.300 -0.180 0.000 1.111 184 R CA 1.443 57.454 56.100 -0.149 0.000 0.976 184 R CB -0.420 29.883 30.300 0.004 0.000 0.870 184 R HN 0.322 nan 8.270 nan 0.000 0.445 185 K N 0.853 121.183 120.400 -0.117 0.000 2.057 185 K HA -0.140 4.180 4.320 0.001 0.000 0.206 185 K C 1.288 177.765 176.600 -0.205 0.000 1.050 185 K CA 1.640 57.854 56.287 -0.123 0.000 0.935 185 K CB 0.118 32.581 32.500 -0.062 0.000 0.715 185 K HN 0.024 nan 8.250 nan 0.000 0.439 186 D N 0.315 120.599 120.400 -0.193 0.000 2.097 186 D HA -0.175 4.466 4.640 0.001 0.000 0.195 186 D C 2.009 178.150 176.300 -0.264 0.000 0.989 186 D CA 1.014 54.888 54.000 -0.210 0.000 0.827 186 D CB -0.139 40.642 40.800 -0.032 0.000 0.966 186 D HN 0.252 nan 8.370 nan 0.000 0.456 187 R N 0.611 120.904 120.500 -0.345 0.000 2.081 187 R HA -0.095 4.245 4.340 0.001 0.000 0.235 187 R C 2.323 178.581 176.300 -0.070 0.000 1.131 187 R CA 1.697 57.656 56.100 -0.235 0.000 0.960 187 R CB -0.516 29.497 30.300 -0.477 0.000 0.856 187 R HN 0.170 nan 8.270 nan 0.000 0.436 188 G N 0.014 108.722 108.800 -0.152 0.000 2.446 188 G HA2 -0.308 3.653 3.960 0.001 0.000 0.217 188 G HA3 -0.308 3.653 3.960 0.001 0.000 0.217 188 G C 1.521 176.368 174.900 -0.087 0.000 1.168 188 G CA 0.862 45.905 45.100 -0.094 0.000 0.771 188 G HN 0.496 nan 8.290 nan 0.000 0.551 189 A N 0.363 123.050 122.820 -0.222 0.000 1.933 189 A HA 0.072 4.393 4.320 0.001 0.000 0.218 189 A C 2.369 179.843 177.584 -0.183 0.000 1.175 189 A CA 1.726 53.582 52.037 -0.301 0.000 0.628 189 A CB -0.423 18.121 19.000 -0.761 0.000 0.814 189 A HN 0.525 nan 8.150 nan 0.000 0.444 190 L N -1.588 119.545 121.223 -0.151 0.000 2.017 190 L HA -0.149 4.192 4.340 0.001 0.000 0.208 190 L C 2.261 179.065 176.870 -0.111 0.000 1.073 190 L CA 2.040 56.846 54.840 -0.056 0.000 0.745 190 L CB -0.810 41.230 42.059 -0.033 0.000 0.894 190 L HN 0.429 nan 8.230 nan 0.000 0.432 191 Y N -0.208 120.046 120.300 -0.078 0.000 2.293 191 Y HA -0.168 4.383 4.550 0.002 0.000 0.291 191 Y C 2.897 178.763 175.900 -0.056 0.000 1.137 191 Y CA 1.814 59.879 58.100 -0.059 0.000 1.202 191 Y CB -0.359 38.065 38.460 -0.059 0.000 0.990 191 Y HN 0.211 nan 8.280 nan 0.000 0.537 192 R N 0.590 121.120 120.500 0.050 0.000 2.075 192 R HA -0.155 4.186 4.340 0.001 0.000 0.232 192 R C 1.878 178.165 176.300 -0.021 0.000 1.126 192 R CA 1.711 57.816 56.100 0.009 0.000 0.963 192 R CB -0.117 30.178 30.300 -0.010 0.000 0.858 192 R HN 0.381 nan 8.270 nan 0.000 0.435 193 E N -0.378 119.802 120.200 -0.034 0.000 2.208 193 E HA -0.116 4.234 4.350 0.001 0.000 0.193 193 E C 1.671 178.215 176.600 -0.094 0.000 0.988 193 E CA 0.836 57.207 56.400 -0.049 0.000 0.828 193 E CB 0.067 29.756 29.700 -0.019 0.000 0.763 193 E HN 0.431 nan 8.360 nan 0.000 0.478 194 A N 1.377 124.122 122.820 -0.124 0.000 2.168 194 A HA -0.136 4.185 4.320 0.001 0.000 0.215 194 A C 1.816 179.332 177.584 -0.114 0.000 1.152 194 A CA 0.642 52.580 52.037 -0.165 0.000 0.716 194 A CB -0.111 18.733 19.000 -0.260 0.000 0.794 194 A HN 0.057 nan 8.150 nan 0.000 0.465 195 E N 0.211 120.368 120.200 -0.071 0.000 2.160 195 E HA -0.198 4.153 4.350 0.001 0.000 0.195 195 E C 2.226 178.782 176.600 -0.073 0.000 0.991 195 E CA 1.217 57.586 56.400 -0.052 0.000 0.810 195 E CB -0.383 29.298 29.700 -0.032 0.000 0.742 195 E HN 0.625 nan 8.360 nan 0.000 0.466 196 A N 0.889 123.655 122.820 -0.091 0.000 2.015 196 A HA -0.094 4.227 4.320 0.001 0.000 0.219 196 A C 2.241 179.751 177.584 -0.124 0.000 1.163 196 A CA 0.740 52.716 52.037 -0.102 0.000 0.646 196 A CB -0.445 18.494 19.000 -0.102 0.000 0.806 196 A HN 0.168 nan 8.150 nan 0.000 0.448 197 L N -0.433 120.692 121.223 -0.164 0.000 2.313 197 L HA 0.021 4.362 4.340 0.001 0.000 0.214 197 L C 2.010 178.893 176.870 0.021 0.000 1.119 197 L CA 0.890 55.627 54.840 -0.173 0.000 0.809 197 L CB -0.443 41.420 42.059 -0.327 0.000 0.933 197 L HN 0.645 nan 8.230 nan 0.000 0.449 198 I N -2.651 117.904 120.570 -0.025 0.000 3.875 198 I HA 0.027 4.198 4.170 0.001 0.000 0.329 198 I C 1.752 177.833 176.117 -0.060 0.000 1.295 198 I CA 0.050 61.346 61.300 -0.006 0.000 1.129 198 I CB 0.077 38.070 38.000 -0.011 0.000 1.008 198 I HN -0.012 nan 8.210 nan 0.000 0.413 199 V N -2.021 117.813 119.914 -0.134 0.000 3.541 199 V HA 0.241 4.362 4.120 0.001 0.000 0.267 199 V C 0.579 176.425 176.094 -0.413 0.000 1.213 199 V CA 0.635 62.758 62.300 -0.294 0.000 1.149 199 V CB -1.249 30.330 31.823 -0.406 0.000 0.822 199 V HN 0.418 nan 8.190 nan 0.000 0.462 200 H N -0.214 118.851 119.070 -0.009 0.000 2.865 200 H HA 0.582 5.139 4.556 0.002 0.000 0.372 200 H C -2.914 172.353 175.328 -0.102 0.000 1.173 200 H CA -2.147 53.877 56.048 -0.040 0.000 1.147 200 H CB 1.981 31.749 29.762 0.010 0.000 1.805 200 H HN 0.076 nan 8.280 nan 0.000 0.553 201 P HA 0.059 nan 4.420 nan 0.000 0.272 201 P C -1.700 175.561 177.300 -0.065 0.000 1.223 201 P CA -1.055 61.918 63.100 -0.211 0.000 0.784 201 P CB 0.604 32.223 31.700 -0.135 0.000 0.923 202 P HA 0.095 nan 4.420 nan 0.000 0.245 202 P C 1.230 178.502 177.300 -0.047 0.000 1.206 202 P CA 0.542 63.651 63.100 0.015 0.000 0.781 202 P CB 0.198 31.986 31.700 0.147 0.000 0.994 203 L N 0.727 121.935 121.223 -0.025 0.000 2.191 203 L HA -0.138 4.203 4.340 0.001 0.000 0.212 203 L C 2.508 179.349 176.870 -0.048 0.000 1.103 203 L CA 1.872 56.718 54.840 0.010 0.000 0.769 203 L CB -0.844 41.256 42.059 0.067 0.000 0.908 203 L HN 0.121 nan 8.230 nan 0.000 0.438 204 S N -2.073 113.534 115.700 -0.155 0.000 2.515 204 S HA -0.131 4.340 4.470 0.001 0.000 0.231 204 S C 1.607 176.110 174.600 -0.161 0.000 0.987 204 S CA 0.416 58.513 58.200 -0.173 0.000 0.936 204 S CB -0.462 62.611 63.200 -0.212 0.000 0.766 204 S HN 0.469 nan 8.310 nan 0.000 0.528 205 H N 0.690 119.774 119.070 0.023 0.000 2.547 205 H HA 0.434 4.991 4.556 0.001 0.000 0.266 205 H C 0.382 175.714 175.328 0.007 0.000 0.988 205 H CA 0.058 56.113 56.048 0.012 0.000 1.147 205 H CB -0.061 29.706 29.762 0.008 0.000 1.365 205 H HN 0.397 nan 8.280 nan 0.000 0.589 206 L N 1.886 123.161 121.223 0.087 0.000 2.330 206 L HA 0.350 4.691 4.340 0.001 0.000 0.271 206 L C -1.971 174.921 176.870 0.037 0.000 1.013 206 L CA -2.120 52.755 54.840 0.058 0.000 0.816 206 L CB 1.902 43.989 42.059 0.047 0.000 1.287 206 L HN -0.086 nan 8.230 nan 0.000 0.435 207 P HA 0.077 nan 4.420 nan 0.000 0.270 207 P C 0.170 177.482 177.300 0.021 0.000 1.223 207 P CA -0.368 62.745 63.100 0.021 0.000 0.785 207 P CB 0.706 32.415 31.700 0.015 0.000 0.923 208 R N 1.243 121.753 120.500 0.016 0.000 2.096 208 R HA -0.239 4.101 4.340 0.001 0.000 0.240 208 R C 2.033 178.354 176.300 0.036 0.000 1.139 208 R CA 2.218 58.330 56.100 0.020 0.000 0.952 208 R CB -0.362 29.945 30.300 0.013 0.000 0.854 208 R HN 0.593 nan 8.270 nan 0.000 0.436 209 E N -0.308 119.912 120.200 0.032 0.000 2.072 209 E HA -0.244 4.106 4.350 0.001 0.000 0.191 209 E C 2.117 178.754 176.600 0.061 0.000 0.985 209 E CA 1.068 57.495 56.400 0.044 0.000 0.801 209 E CB -0.036 29.676 29.700 0.021 0.000 0.750 209 E HN 0.132 nan 8.360 nan 0.000 0.452 210 R N 0.709 121.235 120.500 0.043 0.000 2.081 210 R HA -0.083 4.258 4.340 0.001 0.000 0.235 210 R C 2.068 178.403 176.300 0.058 0.000 1.131 210 R CA 1.759 57.888 56.100 0.047 0.000 0.960 210 R CB -0.805 29.514 30.300 0.030 0.000 0.856 210 R HN 0.237 nan 8.270 nan 0.000 0.436 211 A N 0.369 123.219 122.820 0.050 0.000 1.940 211 A HA -0.133 4.188 4.320 0.001 0.000 0.219 211 A C 2.253 179.869 177.584 0.053 0.000 1.176 211 A CA 1.602 53.668 52.037 0.048 0.000 0.631 211 A CB -0.615 18.404 19.000 0.032 0.000 0.814 211 A HN 0.374 nan 8.150 nan 0.000 0.446 212 L N -0.865 120.401 121.223 0.072 0.000 2.056 212 L HA -0.128 4.213 4.340 0.001 0.000 0.207 212 L C 2.859 179.783 176.870 0.090 0.000 1.078 212 L CA 1.375 56.262 54.840 0.079 0.000 0.749 212 L CB -0.432 41.745 42.059 0.195 0.000 0.901 212 L HN 0.320 nan 8.230 nan 0.000 0.433 213 S N -0.527 115.276 115.700 0.173 0.000 2.383 213 S HA -0.161 4.310 4.470 0.001 0.000 0.229 213 S C 1.829 176.482 174.600 0.089 0.000 1.030 213 S CA 1.164 59.465 58.200 0.167 0.000 1.002 213 S CB -0.142 63.143 63.200 0.143 0.000 0.829 213 S HN 0.400 nan 8.310 nan 0.000 0.467 214 E N 1.216 121.459 120.200 0.071 0.000 2.158 214 E HA 0.087 4.438 4.350 0.001 0.000 0.191 214 E C 2.313 178.950 176.600 0.061 0.000 0.982 214 E CA 0.838 57.277 56.400 0.066 0.000 0.823 214 E CB -0.437 29.303 29.700 0.066 0.000 0.766 214 E HN 0.480 nan 8.360 nan 0.000 0.468 215 A N 1.193 124.039 122.820 0.042 0.000 1.877 215 A HA -0.120 4.200 4.320 0.001 0.000 0.216 215 A C 2.589 180.158 177.584 -0.025 0.000 1.186 215 A CA 1.332 53.387 52.037 0.031 0.000 0.620 215 A CB -0.694 18.293 19.000 -0.022 0.000 0.822 215 A HN 0.122 nan 8.150 nan 0.000 0.443 216 V N -0.150 119.708 119.914 -0.093 0.000 2.407 216 V HA -0.217 3.904 4.120 0.001 0.000 0.248 216 V C 2.739 178.830 176.094 -0.004 0.000 1.055 216 V CA 2.418 64.647 62.300 -0.119 0.000 1.049 216 V CB -1.191 30.484 31.823 -0.246 0.000 0.662 216 V HN 0.619 nan 8.190 nan 0.000 0.455 217 T N 0.308 114.881 114.554 0.031 0.000 2.708 217 T HA -0.176 4.175 4.350 0.001 0.000 0.266 217 T C 1.890 176.620 174.700 0.050 0.000 1.037 217 T CA 1.459 63.592 62.100 0.056 0.000 1.146 217 T CB -0.347 68.559 68.868 0.064 0.000 0.865 217 T HN 0.175 nan 8.240 nan 0.000 0.435 218 L N 0.751 122.006 121.223 0.054 0.000 2.079 218 L HA 0.021 4.361 4.340 0.001 0.000 0.210 218 L C 2.197 179.110 176.870 0.072 0.000 1.081 218 L CA 1.298 56.175 54.840 0.063 0.000 0.752 218 L CB -1.054 41.083 42.059 0.130 0.000 0.896 218 L HN 0.232 nan 8.230 nan 0.000 0.433 219 L N -1.690 119.571 121.223 0.064 0.000 2.072 219 L HA -0.108 4.233 4.340 0.001 0.000 0.205 219 L C 2.363 179.299 176.870 0.111 0.000 1.079 219 L CA 1.477 56.357 54.840 0.066 0.000 0.752 219 L CB -0.546 41.519 42.059 0.010 0.000 0.906 219 L HN 0.007 nan 8.230 nan 0.000 0.436 220 V N 0.214 120.182 119.914 0.090 0.000 2.295 220 V HA -0.261 3.860 4.120 0.001 0.000 0.246 220 V C 2.783 178.937 176.094 0.099 0.000 1.049 220 V CA 1.702 64.063 62.300 0.101 0.000 1.024 220 V CB -1.183 30.694 31.823 0.090 0.000 0.648 220 V HN 0.604 nan 8.190 nan 0.000 0.447 221 A N -0.223 122.646 122.820 0.081 0.000 2.015 221 A HA 0.014 4.335 4.320 0.001 0.000 0.219 221 A C 2.223 179.860 177.584 0.089 0.000 1.163 221 A CA 1.817 53.897 52.037 0.071 0.000 0.646 221 A CB -0.648 18.373 19.000 0.035 0.000 0.806 221 A HN 0.565 nan 8.150 nan 0.000 0.448 222 G N -2.875 105.988 108.800 0.104 0.000 2.784 222 G HA2 0.115 4.076 3.960 0.001 0.000 0.208 222 G HA3 0.115 4.076 3.960 0.001 0.000 0.208 222 G C 1.287 176.311 174.900 0.208 0.000 1.120 222 G CA 0.705 45.880 45.100 0.125 0.000 0.774 222 G HN 0.687 nan 8.290 nan 0.000 0.528 223 H N 0.177 119.292 119.070 0.074 0.000 2.273 223 H HA 0.158 4.714 4.556 0.001 0.000 0.317 223 H C 2.217 177.591 175.328 0.076 0.000 1.062 223 H CA 1.035 57.125 56.048 0.069 0.000 1.419 223 H CB 0.197 29.986 29.762 0.045 0.000 1.442 223 H HN 0.312 nan 8.280 nan 0.000 0.542 224 E N 0.126 120.259 120.200 -0.112 0.000 2.150 224 E HA -0.137 4.213 4.350 0.001 0.000 0.193 224 E C 2.118 178.714 176.600 -0.007 0.000 0.985 224 E CA 1.551 57.842 56.400 -0.181 0.000 0.814 224 E CB 0.106 29.733 29.700 -0.121 0.000 0.752 224 E HN 0.640 nan 8.360 nan 0.000 0.466 225 T N -1.317 113.277 114.554 0.067 0.000 2.652 225 T HA -0.165 4.186 4.350 0.001 0.000 0.267 225 T C 2.007 176.792 174.700 0.140 0.000 1.039 225 T CA 1.581 63.741 62.100 0.100 0.000 1.153 225 T CB -0.859 68.073 68.868 0.106 0.000 0.863 225 T HN 0.030 nan 8.240 nan 0.000 0.428 226 V N 2.472 122.500 119.914 0.189 0.000 2.332 226 V HA -0.105 4.016 4.120 0.001 0.000 0.248 226 V C 3.261 179.474 176.094 0.198 0.000 1.055 226 V CA 1.698 64.151 62.300 0.254 0.000 1.038 226 V CB -1.519 30.470 31.823 0.277 0.000 0.651 226 V HN 0.727 nan 8.190 nan 0.000 0.450 227 A N -0.468 122.419 122.820 0.112 0.000 1.898 227 A HA -0.171 4.150 4.320 0.001 0.000 0.216 227 A C 2.487 180.093 177.584 0.037 0.000 1.181 227 A CA 2.071 54.140 52.037 0.053 0.000 0.620 227 A CB -0.639 18.338 19.000 -0.038 0.000 0.819 227 A HN 0.503 nan 8.150 nan 0.000 0.442 228 S N 0.068 115.795 115.700 0.045 0.000 2.356 228 S HA -0.057 4.413 4.470 0.001 0.000 0.223 228 S C 2.348 177.044 174.600 0.160 0.000 1.032 228 S CA 1.225 59.455 58.200 0.050 0.000 1.005 228 S CB -0.542 62.766 63.200 0.180 0.000 0.867 228 S HN 0.799 nan 8.310 nan 0.000 0.449 229 A N 1.505 124.454 122.820 0.215 0.000 1.908 229 A HA -0.074 4.246 4.320 0.001 0.000 0.218 229 A C 2.153 179.880 177.584 0.238 0.000 1.181 229 A CA 1.339 53.497 52.037 0.201 0.000 0.627 229 A CB -0.826 18.223 19.000 0.082 0.000 0.818 229 A HN 0.449 nan 8.150 nan 0.000 0.445 230 L N -0.881 120.493 121.223 0.250 0.000 2.046 230 L HA -0.167 4.174 4.340 0.001 0.000 0.208 230 L C 2.844 179.699 176.870 -0.026 0.000 1.077 230 L CA 1.783 56.688 54.840 0.108 0.000 0.747 230 L CB -0.939 41.188 42.059 0.114 0.000 0.896 230 L HN 0.367 nan 8.230 nan 0.000 0.432 231 T N -1.185 113.371 114.554 0.004 0.000 2.684 231 T HA -0.238 4.113 4.350 0.001 0.000 0.267 231 T C 1.415 175.984 174.700 -0.220 0.000 1.036 231 T CA 1.850 63.880 62.100 -0.115 0.000 1.148 231 T CB -0.438 68.215 68.868 -0.359 0.000 0.863 231 T HN 0.399 nan 8.240 nan 0.000 0.436 232 W N 1.377 122.615 121.300 -0.103 0.000 2.402 232 W HA -0.016 4.644 4.660 0.001 0.000 0.286 232 W C 2.945 179.353 176.519 -0.186 0.000 1.221 232 W CA 0.348 57.552 57.345 -0.235 0.000 1.257 232 W CB -0.560 28.724 29.460 -0.293 0.000 1.120 232 W HN 0.131 nan 8.180 nan 0.000 0.551 233 S N 0.348 116.094 115.700 0.077 0.000 2.368 233 S HA -0.190 4.281 4.470 0.001 0.000 0.225 233 S C 1.510 176.082 174.600 -0.046 0.000 1.030 233 S CA 1.405 59.600 58.200 -0.008 0.000 0.999 233 S CB -0.763 62.432 63.200 -0.007 0.000 0.844 233 S HN 0.218 nan 8.310 nan 0.000 0.459 234 F N 0.999 120.980 119.950 0.052 0.000 2.102 234 F HA -0.104 4.424 4.527 0.001 0.000 0.298 234 F C 2.226 178.006 175.800 -0.034 0.000 1.105 234 F CA 0.580 58.589 58.000 0.015 0.000 1.239 234 F CB -0.413 38.490 39.000 -0.161 0.000 0.991 234 F HN 0.175 nan 8.300 nan 0.000 0.474 235 L N 0.468 121.713 121.223 0.037 0.000 1.989 235 L HA -0.213 4.128 4.340 0.001 0.000 0.211 235 L C 2.020 178.813 176.870 -0.130 0.000 1.071 235 L CA 1.838 56.599 54.840 -0.132 0.000 0.749 235 L CB -0.890 40.999 42.059 -0.284 0.000 0.890 235 L HN 0.112 nan 8.230 nan 0.000 0.431 236 L N -1.338 119.773 121.223 -0.187 0.000 2.056 236 L HA -0.195 4.146 4.340 0.001 0.000 0.207 236 L C 2.472 179.169 176.870 -0.289 0.000 1.078 236 L CA 1.117 55.710 54.840 -0.410 0.000 0.749 236 L CB -0.492 40.940 42.059 -1.045 0.000 0.901 236 L HN 0.270 nan 8.230 nan 0.000 0.433 237 L N -0.368 120.793 121.223 -0.102 0.000 2.275 237 L HA -0.146 4.195 4.340 0.001 0.000 0.215 237 L C 2.773 179.767 176.870 0.206 0.000 1.119 237 L CA 1.036 55.962 54.840 0.142 0.000 0.790 237 L CB -0.483 41.679 42.059 0.171 0.000 0.919 237 L HN 0.391 nan 8.230 nan 0.000 0.443 238 S N -1.376 114.444 115.700 0.201 0.000 2.419 238 S HA -0.227 4.243 4.470 0.001 0.000 0.233 238 S C 1.564 176.161 174.600 -0.006 0.000 1.016 238 S CA 1.107 59.383 58.200 0.126 0.000 0.974 238 S CB -0.490 62.732 63.200 0.037 0.000 0.786 238 S HN 0.519 nan 8.310 nan 0.000 0.492 239 H N 0.695 119.837 119.070 0.120 0.000 2.539 239 H HA 0.405 4.962 4.556 0.001 0.000 0.269 239 H C 0.231 175.678 175.328 0.199 0.000 0.980 239 H CA 0.168 56.313 56.048 0.163 0.000 1.152 239 H CB 0.350 30.237 29.762 0.209 0.000 1.407 239 H HN 0.122 nan 8.280 nan 0.000 0.564 240 R N 1.061 121.739 120.500 0.296 0.000 2.585 240 R HA 0.153 4.494 4.340 0.001 0.000 0.278 240 R C -2.305 174.140 176.300 0.242 0.000 1.663 240 R CA -1.551 54.736 56.100 0.312 0.000 1.592 240 R CB 0.870 31.436 30.300 0.444 0.000 1.200 240 R HN 0.211 nan 8.270 nan 0.000 0.611 241 P HA -0.187 nan 4.420 nan 0.000 0.218 241 P C 0.778 178.131 177.300 0.087 0.000 1.148 241 P CA 1.268 64.438 63.100 0.117 0.000 0.822 241 P CB 0.315 32.073 31.700 0.097 0.000 0.784 242 D N -1.018 119.447 120.400 0.108 0.000 2.117 242 D HA -0.203 4.437 4.640 0.001 0.000 0.197 242 D C 1.841 178.095 176.300 -0.077 0.000 0.987 242 D CA 1.111 55.125 54.000 0.024 0.000 0.829 242 D CB -1.321 39.504 40.800 0.041 0.000 0.961 242 D HN 0.218 nan 8.370 nan 0.000 0.460 243 W N 1.327 122.633 121.300 0.009 0.000 2.518 243 W HA 0.106 4.767 4.660 0.001 0.000 0.273 243 W C 2.788 179.233 176.519 -0.124 0.000 1.247 243 W CA 0.556 57.893 57.345 -0.015 0.000 1.288 243 W CB -0.139 29.351 29.460 0.051 0.000 1.107 243 W HN 0.025 nan 8.180 nan 0.000 0.586 244 Q N 0.365 120.141 119.800 -0.041 0.000 2.096 244 Q HA -0.271 4.070 4.340 0.001 0.000 0.204 244 Q C 2.088 177.978 176.000 -0.183 0.000 0.982 244 Q CA 1.837 57.402 55.803 -0.396 0.000 0.850 244 Q CB -0.383 28.185 28.738 -0.283 0.000 0.901 244 Q HN 0.290 nan 8.270 nan 0.000 0.422 245 K N 0.947 121.300 120.400 -0.078 0.000 2.057 245 K HA -0.140 4.181 4.320 0.001 0.000 0.206 245 K C 2.049 178.593 176.600 -0.093 0.000 1.050 245 K CA 1.016 57.271 56.287 -0.054 0.000 0.935 245 K CB 0.101 32.569 32.500 -0.053 0.000 0.715 245 K HN 0.036 nan 8.250 nan 0.000 0.439 246 R N 0.130 120.510 120.500 -0.199 0.000 2.073 246 R HA -0.102 4.239 4.340 0.001 0.000 0.234 246 R C 2.298 178.533 176.300 -0.108 0.000 1.134 246 R CA 1.504 57.442 56.100 -0.269 0.000 0.952 246 R CB -0.428 29.466 30.300 -0.678 0.000 0.850 246 R HN 0.045 nan 8.270 nan 0.000 0.433 247 V N 1.016 120.920 119.914 -0.018 0.000 2.343 247 V HA -0.261 3.860 4.120 0.001 0.000 0.247 247 V C 2.390 178.562 176.094 0.130 0.000 1.051 247 V CA 2.011 64.373 62.300 0.104 0.000 1.036 247 V CB -0.670 31.226 31.823 0.121 0.000 0.654 247 V HN 0.447 nan 8.190 nan 0.000 0.451 248 A N -0.534 122.361 122.820 0.125 0.000 1.972 248 A HA -0.209 4.112 4.320 0.001 0.000 0.219 248 A C 2.105 179.734 177.584 0.075 0.000 1.169 248 A CA 1.755 53.882 52.037 0.150 0.000 0.635 248 A CB -0.344 18.745 19.000 0.149 0.000 0.810 248 A HN 0.656 nan 8.150 nan 0.000 0.446 249 E N -0.916 119.302 120.200 0.030 0.000 2.447 249 E HA 0.099 4.450 4.350 0.001 0.000 0.195 249 E C 0.106 176.711 176.600 0.007 0.000 1.028 249 E CA 0.462 56.866 56.400 0.006 0.000 0.876 249 E CB 0.251 29.937 29.700 -0.024 0.000 0.885 249 E HN 0.375 nan 8.360 nan 0.000 0.500 250 S N -0.167 115.544 115.700 0.019 0.000 2.614 250 S HA 0.129 4.600 4.470 0.001 0.000 0.275 250 S C 0.245 174.879 174.600 0.057 0.000 1.161 250 S CA -0.675 57.538 58.200 0.022 0.000 0.969 250 S CB 1.421 64.617 63.200 -0.006 0.000 1.059 250 S HN 0.035 nan 8.310 nan 0.000 0.482 251 E N 2.704 122.936 120.200 0.054 0.000 2.118 251 E HA -0.200 4.151 4.350 0.001 0.000 0.195 251 E C 1.412 178.065 176.600 0.088 0.000 0.992 251 E CA 1.415 57.854 56.400 0.065 0.000 0.804 251 E CB 0.019 29.747 29.700 0.046 0.000 0.741 251 E HN 0.804 nan 8.360 nan 0.000 0.458 252 E N 0.258 120.509 120.200 0.085 0.000 2.051 252 E HA -0.187 4.163 4.350 0.001 0.000 0.192 252 E C 2.105 178.807 176.600 0.170 0.000 0.991 252 E CA 0.868 57.335 56.400 0.112 0.000 0.799 252 E CB -0.051 29.704 29.700 0.092 0.000 0.748 252 E HN 0.235 nan 8.360 nan 0.000 0.449 253 A N 1.096 124.012 122.820 0.159 0.000 1.902 253 A HA -0.121 4.200 4.320 0.001 0.000 0.217 253 A C 2.324 180.119 177.584 0.352 0.000 1.181 253 A CA 1.744 53.945 52.037 0.274 0.000 0.623 253 A CB -0.585 18.458 19.000 0.072 0.000 0.818 253 A HN 0.347 nan 8.150 nan 0.000 0.443 254 A N -0.640 122.319 122.820 0.232 0.000 1.930 254 A HA 0.010 4.331 4.320 0.001 0.000 0.217 254 A C 2.114 179.832 177.584 0.223 0.000 1.175 254 A CA 1.653 53.827 52.037 0.227 0.000 0.627 254 A CB -0.547 18.549 19.000 0.161 0.000 0.815 254 A HN 0.667 nan 8.150 nan 0.000 0.443 255 L N -0.287 121.050 121.223 0.190 0.000 2.056 255 L HA -0.001 4.339 4.340 0.001 0.000 0.207 255 L C 2.620 179.618 176.870 0.213 0.000 1.078 255 L CA 2.067 57.024 54.840 0.195 0.000 0.749 255 L CB -0.741 41.407 42.059 0.149 0.000 0.901 255 L HN 0.323 nan 8.230 nan 0.000 0.433 256 A N -0.427 122.532 122.820 0.231 0.000 1.902 256 A HA -0.094 4.227 4.320 0.001 0.000 0.217 256 A C 2.457 180.118 177.584 0.129 0.000 1.181 256 A CA 1.776 53.940 52.037 0.212 0.000 0.623 256 A CB -1.151 18.031 19.000 0.302 0.000 0.818 256 A HN 0.567 nan 8.150 nan 0.000 0.443 257 A N -1.215 121.720 122.820 0.192 0.000 1.877 257 A HA -0.057 4.264 4.320 0.001 0.000 0.216 257 A C 2.058 179.806 177.584 0.273 0.000 1.186 257 A CA 1.667 53.819 52.037 0.192 0.000 0.620 257 A CB -0.736 18.464 19.000 0.333 0.000 0.822 257 A HN 0.648 nan 8.150 nan 0.000 0.443 258 F N 0.728 120.741 119.950 0.106 0.000 2.186 258 F HA -0.151 4.376 4.527 0.001 0.000 0.299 258 F C 2.492 178.318 175.800 0.043 0.000 1.090 258 F CA 1.981 60.032 58.000 0.085 0.000 1.307 258 F CB -0.342 38.709 39.000 0.084 0.000 1.019 258 F HN 0.311 nan 8.300 nan 0.000 0.489 259 Q N -0.477 119.325 119.800 0.002 0.000 2.170 259 Q HA -0.244 4.097 4.340 0.001 0.000 0.203 259 Q C 2.007 177.781 176.000 -0.376 0.000 0.976 259 Q CA 1.741 57.334 55.803 -0.349 0.000 0.858 259 Q CB -0.233 28.019 28.738 -0.809 0.000 0.907 259 Q HN 0.445 nan 8.270 nan 0.000 0.433 260 E N 0.603 120.741 120.200 -0.104 0.000 2.158 260 E HA -0.063 4.288 4.350 0.001 0.000 0.191 260 E C 1.709 178.401 176.600 0.154 0.000 0.982 260 E CA 0.997 57.464 56.400 0.112 0.000 0.823 260 E CB -0.067 29.667 29.700 0.056 0.000 0.766 260 E HN 0.295 nan 8.360 nan 0.000 0.468 261 A N 0.658 123.573 122.820 0.159 0.000 1.902 261 A HA -0.111 4.210 4.320 0.001 0.000 0.217 261 A C 2.198 179.780 177.584 -0.002 0.000 1.181 261 A CA 1.319 53.429 52.037 0.121 0.000 0.623 261 A CB -0.728 18.324 19.000 0.086 0.000 0.818 261 A HN 0.351 nan 8.150 nan 0.000 0.443 262 L N -1.120 120.004 121.223 -0.165 0.000 2.191 262 L HA -0.149 4.192 4.340 0.001 0.000 0.212 262 L C 2.738 179.565 176.870 -0.072 0.000 1.103 262 L CA 1.405 56.126 54.840 -0.198 0.000 0.769 262 L CB -0.421 41.447 42.059 -0.317 0.000 0.908 262 L HN 0.450 nan 8.230 nan 0.000 0.438 263 R N 0.525 121.062 120.500 0.061 0.000 2.075 263 R HA -0.133 4.208 4.340 0.001 0.000 0.232 263 R C 2.196 178.406 176.300 -0.150 0.000 1.126 263 R CA 1.369 57.504 56.100 0.058 0.000 0.963 263 R CB -0.052 30.217 30.300 -0.052 0.000 0.858 263 R HN 0.328 nan 8.270 nan 0.000 0.435 264 L N -1.130 119.981 121.223 -0.188 0.000 2.307 264 L HA 0.006 4.347 4.340 0.001 0.000 0.211 264 L C 0.279 176.694 176.870 -0.758 0.000 1.099 264 L CA 0.584 55.154 54.840 -0.450 0.000 0.816 264 L CB 0.335 42.190 42.059 -0.340 0.000 0.952 264 L HN 0.166 nan 8.230 nan 0.000 0.455 265 Y N -0.313 119.831 120.300 -0.259 0.000 2.477 265 Y HA 0.269 4.820 4.550 0.001 0.000 0.340 265 Y C -2.267 173.485 175.900 -0.247 0.000 0.987 265 Y CA -2.706 55.147 58.100 -0.412 0.000 1.127 265 Y CB 0.191 38.033 38.460 -1.030 0.000 1.139 265 Y HN -0.087 nan 8.280 nan 0.000 0.637 266 P HA 0.052 nan 4.420 nan 0.000 0.261 266 P C -2.303 175.001 177.300 0.007 0.000 1.203 266 P CA -0.992 62.045 63.100 -0.105 0.000 0.767 266 P CB 1.598 33.208 31.700 -0.149 0.000 0.785 267 P HA -0.135 nan 4.420 nan 0.000 0.215 267 P C 0.554 177.947 177.300 0.155 0.000 1.157 267 P CA 1.612 64.790 63.100 0.129 0.000 0.868 267 P CB -0.079 31.672 31.700 0.084 0.000 0.788 268 A N 0.740 123.568 122.820 0.013 0.000 2.527 268 A HA 0.149 4.469 4.320 0.001 0.000 0.313 268 A C 0.704 178.253 177.584 -0.058 0.000 1.410 268 A CA -0.705 51.299 52.037 -0.056 0.000 1.060 268 A CB -0.914 18.023 19.000 -0.104 0.000 1.137 268 A HN 0.364 nan 8.150 nan 0.000 0.542 269 W N 2.478 123.730 121.300 -0.079 0.000 3.290 269 W HA 0.398 5.059 4.660 0.002 0.000 0.287 269 W C -0.808 175.690 176.519 -0.034 0.000 1.288 269 W CA -0.329 56.971 57.345 -0.075 0.000 1.725 269 W CB -0.119 29.276 29.460 -0.109 0.000 1.103 269 W HN 0.266 nan 8.180 nan 0.000 0.670 270 I N 1.873 122.161 120.570 -0.470 0.000 2.656 270 I HA 0.380 4.551 4.170 0.001 0.000 0.292 270 I C -1.215 174.717 176.117 -0.309 0.000 1.144 270 I CA -1.132 59.933 61.300 -0.392 0.000 1.038 270 I CB 2.250 39.803 38.000 -0.746 0.000 1.244 270 I HN -0.267 nan 8.210 nan 0.000 0.420 271 L N 4.826 125.980 121.223 -0.114 0.000 2.370 271 L HA 0.733 5.074 4.340 0.001 0.000 0.266 271 L C 0.153 176.978 176.870 -0.076 0.000 1.002 271 L CA -0.261 54.545 54.840 -0.057 0.000 0.818 271 L CB 2.241 44.362 42.059 0.102 0.000 1.325 271 L HN 0.741 nan 8.230 nan 0.000 0.418 272 T N -0.763 113.743 114.554 -0.079 0.000 2.906 272 T HA 0.874 5.224 4.350 0.001 0.000 0.295 272 T C -0.622 174.052 174.700 -0.043 0.000 1.075 272 T CA -1.056 60.971 62.100 -0.121 0.000 1.005 272 T CB 2.382 71.043 68.868 -0.344 0.000 1.136 272 T HN 0.374 nan 8.240 nan 0.000 0.498 273 R N 0.285 120.728 120.500 -0.095 0.000 2.668 273 R HA 0.594 4.934 4.340 0.001 0.000 0.272 273 R C -1.340 174.868 176.300 -0.154 0.000 1.019 273 R CA -0.870 55.148 56.100 -0.137 0.000 0.894 273 R CB 2.554 32.774 30.300 -0.134 0.000 1.228 273 R HN 0.740 nan 8.270 nan 0.000 0.460 274 R N 1.681 122.046 120.500 -0.225 0.000 2.393 274 R HA 0.487 4.828 4.340 0.001 0.000 0.310 274 R C -0.737 175.452 176.300 -0.185 0.000 0.968 274 R CA -0.410 55.566 56.100 -0.208 0.000 0.867 274 R CB 0.795 30.923 30.300 -0.287 0.000 1.124 274 R HN 0.538 nan 8.270 nan 0.000 0.450 275 L N 3.798 124.958 121.223 -0.105 0.000 2.292 275 L HA 0.355 4.696 4.340 0.001 0.000 0.284 275 L C 0.904 177.740 176.870 -0.058 0.000 1.065 275 L CA -0.150 54.644 54.840 -0.076 0.000 0.806 275 L CB 1.633 43.675 42.059 -0.028 0.000 1.175 275 L HN 0.771 nan 8.230 nan 0.000 0.431 276 E N 2.210 122.374 120.200 -0.060 0.000 2.472 276 E HA 0.060 4.411 4.350 0.001 0.000 0.196 276 E C -0.018 176.580 176.600 -0.003 0.000 1.033 276 E CA 0.055 56.440 56.400 -0.026 0.000 0.886 276 E CB 0.556 30.240 29.700 -0.026 0.000 0.944 276 E HN 0.589 nan 8.360 nan 0.000 0.492 277 R N -1.638 118.857 120.500 -0.008 0.000 2.762 277 R HA 0.457 4.797 4.340 0.001 0.000 0.271 277 R C -3.056 173.242 176.300 -0.003 0.000 1.038 277 R CA -1.999 54.102 56.100 0.000 0.000 0.906 277 R CB 0.148 30.448 30.300 -0.000 0.000 1.259 277 R HN -0.289 nan 8.270 nan 0.000 0.457 278 P HA 0.070 nan 4.420 nan 0.000 0.267 278 P C -1.224 176.068 177.300 -0.014 0.000 1.200 278 P CA -0.253 62.843 63.100 -0.007 0.000 0.772 278 P CB 0.448 32.142 31.700 -0.010 0.000 0.855 279 L N 4.175 125.388 121.223 -0.016 0.000 2.385 279 L HA 0.430 4.771 4.340 0.001 0.000 0.273 279 L C -0.976 175.878 176.870 -0.026 0.000 0.990 279 L CA -0.720 54.106 54.840 -0.022 0.000 0.821 279 L CB 1.291 43.335 42.059 -0.024 0.000 1.279 279 L HN 0.182 nan 8.230 nan 0.000 0.412 280 L N 3.071 124.278 121.223 -0.027 0.000 2.302 280 L HA 0.521 4.862 4.340 0.001 0.000 0.285 280 L C -0.872 175.980 176.870 -0.029 0.000 1.090 280 L CA -0.466 54.357 54.840 -0.028 0.000 0.866 280 L CB 0.672 42.716 42.059 -0.024 0.000 1.244 280 L HN 0.491 nan 8.230 nan 0.000 0.435 281 L N 5.348 126.552 121.223 -0.031 0.000 2.314 281 L HA 0.592 4.933 4.340 0.001 0.000 0.275 281 L C 1.072 177.926 176.870 -0.026 0.000 1.068 281 L CA 1.006 55.828 54.840 -0.030 0.000 0.894 281 L CB 0.317 42.358 42.059 -0.029 0.000 1.275 281 L HN 0.950 nan 8.230 nan 0.000 0.432 282 G N 3.337 112.122 108.800 -0.024 0.000 3.024 282 G HA2 -0.444 3.517 3.960 0.001 0.000 0.339 282 G HA3 -0.444 3.517 3.960 0.001 0.000 0.339 282 G C 0.917 175.804 174.900 -0.021 0.000 1.200 282 G CA 0.927 46.015 45.100 -0.020 0.000 0.968 282 G HN 0.627 nan 8.290 nan 0.000 0.593 283 E N 0.186 120.374 120.200 -0.020 0.000 2.389 283 E HA 0.265 4.616 4.350 0.001 0.000 0.199 283 E C 0.021 176.600 176.600 -0.036 0.000 0.978 283 E CA 0.315 56.701 56.400 -0.024 0.000 0.912 283 E CB 0.255 29.945 29.700 -0.018 0.000 0.907 283 E HN 0.502 nan 8.360 nan 0.000 0.494 284 D N 1.183 121.560 120.400 -0.040 0.000 2.255 284 D HA 0.340 4.981 4.640 0.001 0.000 0.249 284 D C -0.182 176.079 176.300 -0.065 0.000 1.078 284 D CA -0.026 53.938 54.000 -0.060 0.000 0.896 284 D CB 1.298 42.066 40.800 -0.054 0.000 1.194 284 D HN 0.123 nan 8.370 nan 0.000 0.429 285 R N 1.879 122.323 120.500 -0.093 0.000 2.409 285 R HA 0.526 4.866 4.340 0.001 0.000 0.313 285 R C -0.588 175.643 176.300 -0.114 0.000 0.953 285 R CA -0.634 55.416 56.100 -0.083 0.000 0.849 285 R CB 0.222 30.476 30.300 -0.077 0.000 1.171 285 R HN 0.465 nan 8.270 nan 0.000 0.458 286 L N 4.817 126.003 121.223 -0.061 0.000 2.295 286 L HA 0.543 4.883 4.340 0.001 0.000 0.285 286 L C -1.950 174.924 176.870 0.006 0.000 1.035 286 L CA -2.158 52.670 54.840 -0.021 0.000 0.806 286 L CB 2.259 44.344 42.059 0.043 0.000 1.214 286 L HN 0.531 nan 8.230 nan 0.000 0.426 287 P HA 0.264 nan 4.420 nan 0.000 0.274 287 P C -2.658 174.683 177.300 0.067 0.000 1.237 287 P CA -1.938 61.190 63.100 0.046 0.000 0.793 287 P CB -0.123 31.624 31.700 0.079 0.000 0.977 288 P HA 0.078 nan 4.420 nan 0.000 0.266 288 P C 1.009 178.357 177.300 0.081 0.000 1.195 288 P CA 1.257 64.387 63.100 0.049 0.000 0.768 288 P CB -0.133 31.591 31.700 0.040 0.000 0.838 289 G N 1.017 109.862 108.800 0.075 0.000 2.176 289 G HA2 -0.220 3.741 3.960 0.001 0.000 0.253 289 G HA3 -0.220 3.741 3.960 0.001 0.000 0.253 289 G C 0.330 175.298 174.900 0.114 0.000 0.979 289 G CA 0.040 45.212 45.100 0.120 0.000 0.641 289 G HN 0.612 nan 8.290 nan 0.000 0.530 290 T N 2.128 116.736 114.554 0.090 0.000 2.901 290 T HA 0.473 4.824 4.350 0.001 0.000 0.301 290 T C 0.506 175.214 174.700 0.013 0.000 1.012 290 T CA 0.920 63.071 62.100 0.084 0.000 1.135 290 T CB 1.079 70.034 68.868 0.146 0.000 0.936 290 T HN 0.203 nan 8.240 nan 0.000 0.539 291 T N 5.308 119.860 114.554 -0.003 0.000 2.738 291 T HA 0.367 4.718 4.350 0.001 0.000 0.298 291 T C 0.381 175.080 174.700 -0.001 0.000 0.962 291 T CA -0.550 61.542 62.100 -0.014 0.000 0.972 291 T CB 0.052 68.936 68.868 0.028 0.000 0.928 291 T HN 0.333 nan 8.240 nan 0.000 0.474 292 L N 3.814 125.026 121.223 -0.019 0.000 2.331 292 L HA 0.487 4.828 4.340 0.001 0.000 0.278 292 L C -0.227 176.632 176.870 -0.018 0.000 1.106 292 L CA -0.731 54.096 54.840 -0.022 0.000 0.824 292 L CB 0.624 42.659 42.059 -0.040 0.000 1.142 292 L HN 0.299 nan 8.230 nan 0.000 0.443 293 V N 5.369 125.276 119.914 -0.012 0.000 2.407 293 V HA 0.456 4.577 4.120 0.001 0.000 0.291 293 V C 0.049 176.138 176.094 -0.009 0.000 1.018 293 V CA -0.417 61.892 62.300 0.016 0.000 0.842 293 V CB 1.770 33.639 31.823 0.078 0.000 0.996 293 V HN 0.536 nan 8.190 nan 0.000 0.426 294 L N 3.021 124.279 121.223 0.059 0.000 2.330 294 L HA 0.777 5.118 4.340 0.001 0.000 0.271 294 L C 0.017 177.063 176.870 0.294 0.000 1.013 294 L CA -0.449 54.500 54.840 0.182 0.000 0.816 294 L CB 2.127 44.317 42.059 0.218 0.000 1.287 294 L HN 0.631 nan 8.230 nan 0.000 0.435 295 S N 1.361 117.341 115.700 0.466 0.000 2.775 295 S HA 0.417 4.888 4.470 0.001 0.000 0.277 295 S C -2.173 172.578 174.600 0.253 0.000 1.156 295 S CA -1.214 57.211 58.200 0.376 0.000 1.081 295 S CB 1.584 65.072 63.200 0.480 0.000 1.054 295 S HN 0.305 nan 8.310 nan 0.000 0.482 296 P HA -0.125 nan 4.420 nan 0.000 0.217 296 P C 0.982 178.207 177.300 -0.125 0.000 1.148 296 P CA 0.887 63.638 63.100 -0.580 0.000 0.828 296 P CB -0.075 31.164 31.700 -0.768 0.000 0.783 297 Y N 0.151 120.398 120.300 -0.089 0.000 2.181 297 Y HA -0.203 4.348 4.550 0.001 0.000 0.288 297 Y C 2.019 177.868 175.900 -0.085 0.000 1.146 297 Y CA 1.476 59.518 58.100 -0.097 0.000 1.164 297 Y CB -0.802 37.627 38.460 -0.052 0.000 0.982 297 Y HN -0.264 nan 8.280 nan 0.000 0.515 298 V N -0.908 119.065 119.914 0.098 0.000 2.302 298 V HA -0.243 3.878 4.120 0.001 0.000 0.243 298 V C 2.253 178.346 176.094 -0.002 0.000 1.036 298 V CA 2.321 64.581 62.300 -0.066 0.000 1.020 298 V CB -1.010 30.679 31.823 -0.223 0.000 0.657 298 V HN 0.410 nan 8.190 nan 0.000 0.453 299 T N -0.390 114.291 114.554 0.211 0.000 2.746 299 T HA -0.254 4.097 4.350 0.001 0.000 0.267 299 T C 1.885 176.792 174.700 0.344 0.000 1.039 299 T CA 1.611 63.947 62.100 0.394 0.000 1.142 299 T CB -0.243 68.960 68.868 0.558 0.000 0.866 299 T HN 0.501 nan 8.240 nan 0.000 0.444 300 Q N -0.056 119.864 119.800 0.200 0.000 2.378 300 Q HA 0.115 4.456 4.340 0.001 0.000 0.205 300 Q C 2.412 178.485 176.000 0.121 0.000 0.954 300 Q CA 0.678 56.635 55.803 0.258 0.000 0.901 300 Q CB 0.067 28.872 28.738 0.110 0.000 0.981 300 Q HN 0.382 nan 8.270 nan 0.000 0.483 301 R N -0.413 120.045 120.500 -0.070 0.000 2.173 301 R HA 0.098 4.439 4.340 0.001 0.000 0.208 301 R C 1.686 177.928 176.300 -0.098 0.000 1.035 301 R CA 0.577 56.578 56.100 -0.165 0.000 1.004 301 R CB 0.298 30.376 30.300 -0.370 0.000 0.917 301 R HN 0.201 nan 8.270 nan 0.000 0.462 302 L N -0.612 120.561 121.223 -0.083 0.000 2.513 302 L HA 0.069 4.410 4.340 0.001 0.000 0.222 302 L C 1.011 177.624 176.870 -0.427 0.000 1.096 302 L CA 0.467 55.160 54.840 -0.244 0.000 0.857 302 L CB 0.183 42.082 42.059 -0.266 0.000 1.026 302 L HN 0.269 nan 8.230 nan 0.000 0.469 303 H N -1.370 117.754 119.070 0.090 0.000 2.528 303 H HA 0.301 4.858 4.556 0.001 0.000 0.282 303 H C -0.759 174.508 175.328 -0.102 0.000 1.097 303 H CA -0.068 55.994 56.048 0.023 0.000 1.121 303 H CB 0.560 30.343 29.762 0.035 0.000 1.590 303 H HN 0.044 nan 8.280 nan 0.000 0.553 304 F N 1.943 121.888 119.950 -0.008 0.000 2.563 304 F HA 0.366 4.894 4.527 0.001 0.000 0.316 304 F C -1.943 173.805 175.800 -0.086 0.000 1.076 304 F CA -2.552 55.417 58.000 -0.052 0.000 0.921 304 F CB 1.650 40.597 39.000 -0.089 0.000 1.209 304 F HN -0.092 nan 8.300 nan 0.000 0.462 305 P HA 0.067 nan 4.420 nan 0.000 0.268 305 P C -0.514 176.789 177.300 0.004 0.000 1.204 305 P CA 0.214 63.318 63.100 0.007 0.000 0.768 305 P CB 0.689 32.378 31.700 -0.019 0.000 0.842 306 D N 1.957 122.340 120.400 -0.027 0.000 2.705 306 D HA -0.131 4.510 4.640 0.001 0.000 0.240 306 D C 1.273 177.540 176.300 -0.055 0.000 1.137 306 D CA 1.283 55.256 54.000 -0.045 0.000 0.677 306 D CB -1.373 39.398 40.800 -0.049 0.000 1.049 306 D HN 0.584 nan 8.370 nan 0.000 0.427 307 G N 0.309 109.078 108.800 -0.052 0.000 2.534 307 G HA2 -0.151 3.810 3.960 0.001 0.000 0.217 307 G HA3 -0.151 3.810 3.960 0.001 0.000 0.217 307 G C 1.123 175.942 174.900 -0.136 0.000 1.128 307 G CA 0.523 45.587 45.100 -0.060 0.000 0.784 307 G HN 0.497 nan 8.290 nan 0.000 0.542 308 E N -0.050 120.066 120.200 -0.140 0.000 2.474 308 E HA 0.394 4.745 4.350 0.001 0.000 0.195 308 E C 0.882 177.404 176.600 -0.131 0.000 1.039 308 E CA -0.346 55.949 56.400 -0.175 0.000 0.881 308 E CB 0.671 30.260 29.700 -0.184 0.000 0.970 308 E HN 0.344 nan 8.360 nan 0.000 0.486 309 A N 0.986 123.751 122.820 -0.091 0.000 2.312 309 A HA 0.394 4.715 4.320 0.001 0.000 0.328 309 A C -0.875 176.711 177.584 0.003 0.000 1.158 309 A CA -0.524 51.489 52.037 -0.041 0.000 0.821 309 A CB 0.323 19.293 19.000 -0.049 0.000 1.170 309 A HN 0.214 nan 8.150 nan 0.000 0.490 310 F N 3.619 123.517 119.950 -0.087 0.000 2.405 310 F HA 0.446 4.974 4.527 0.001 0.000 0.358 310 F C 0.244 175.957 175.800 -0.146 0.000 1.151 310 F CA -0.630 57.315 58.000 -0.090 0.000 1.161 310 F CB 0.383 39.377 39.000 -0.009 0.000 1.245 310 F HN 0.394 nan 8.300 nan 0.000 0.545 311 R N 7.825 127.973 120.500 -0.586 0.000 2.494 311 R HA 0.224 4.565 4.340 0.001 0.000 0.284 311 R C -2.240 173.637 176.300 -0.705 0.000 1.525 311 R CA -1.700 54.047 56.100 -0.587 0.000 1.460 311 R CB 0.548 30.663 30.300 -0.309 0.000 1.134 311 R HN 0.345 nan 8.270 nan 0.000 0.592 312 P HA -0.149 nan 4.420 nan 0.000 0.222 312 P C 0.824 177.766 177.300 -0.597 0.000 1.147 312 P CA 0.975 63.469 63.100 -1.010 0.000 0.790 312 P CB 0.428 31.081 31.700 -1.745 0.000 0.780 313 E N 1.753 121.684 120.200 -0.448 0.000 2.171 313 E HA -0.236 4.115 4.350 0.001 0.000 0.197 313 E C 1.940 178.509 176.600 -0.052 0.000 0.997 313 E CA 1.253 57.664 56.400 0.019 0.000 0.810 313 E CB -1.239 28.521 29.700 0.099 0.000 0.738 313 E HN 0.474 nan 8.360 nan 0.000 0.467 314 R N 0.391 120.769 120.500 -0.203 0.000 2.159 314 R HA -0.070 4.271 4.340 0.001 0.000 0.237 314 R C 1.644 177.737 176.300 -0.344 0.000 1.131 314 R CA 1.449 57.372 56.100 -0.295 0.000 0.982 314 R CB -0.681 29.362 30.300 -0.428 0.000 0.868 314 R HN 0.151 nan 8.270 nan 0.000 0.453 315 F N 0.546 120.446 119.950 -0.082 0.000 2.693 315 F HA 0.278 4.806 4.527 0.001 0.000 0.303 315 F C 1.451 177.277 175.800 0.043 0.000 1.097 315 F CA -0.259 57.721 58.000 -0.033 0.000 1.330 315 F CB 0.473 39.432 39.000 -0.067 0.000 1.067 315 F HN -0.088 nan 8.300 nan 0.000 0.565 316 L N -0.082 121.253 121.223 0.187 0.000 2.270 316 L HA -0.010 4.331 4.340 0.001 0.000 0.210 316 L C 2.525 179.463 176.870 0.114 0.000 1.104 316 L CA 1.322 56.267 54.840 0.175 0.000 0.804 316 L CB -0.558 41.617 42.059 0.193 0.000 0.937 316 L HN 0.262 nan 8.230 nan 0.000 0.450 317 E N 0.711 120.954 120.200 0.071 0.000 2.244 317 E HA -0.008 4.343 4.350 0.001 0.000 0.196 317 E C 0.873 177.499 176.600 0.043 0.000 0.939 317 E CA 0.193 56.618 56.400 0.043 0.000 0.884 317 E CB 0.154 29.860 29.700 0.009 0.000 0.850 317 E HN 0.563 nan 8.360 nan 0.000 0.481 318 E N 0.020 120.236 120.200 0.026 0.000 2.202 318 E HA 0.456 4.807 4.350 0.001 0.000 0.272 318 E C -0.413 176.306 176.600 0.198 0.000 0.951 318 E CA -0.810 55.617 56.400 0.045 0.000 0.813 318 E CB 1.314 30.968 29.700 -0.075 0.000 1.151 318 E HN 0.208 nan 8.360 nan 0.000 0.398 319 R N 1.699 122.330 120.500 0.219 0.000 2.500 319 R HA 0.305 4.645 4.340 0.001 0.000 0.275 319 R C 0.641 177.185 176.300 0.407 0.000 1.051 319 R CA -0.056 56.212 56.100 0.280 0.000 1.088 319 R CB 1.133 31.550 30.300 0.195 0.000 1.063 319 R HN 0.734 nan 8.270 nan 0.000 0.511 320 G N 1.201 110.243 108.800 0.403 0.000 3.496 320 G HA2 -0.020 3.940 3.960 0.001 0.000 0.273 320 G HA3 -0.020 3.940 3.960 0.001 0.000 0.273 320 G C 0.002 175.199 174.900 0.496 0.000 1.279 320 G CA -0.234 45.167 45.100 0.502 0.000 1.041 320 G HN 0.441 nan 8.290 nan 0.000 0.539 321 T N 2.811 117.580 114.554 0.358 0.000 2.928 321 T HA 0.232 4.583 4.350 0.001 0.000 0.305 321 T C -2.153 172.730 174.700 0.305 0.000 1.035 321 T CA -0.474 61.786 62.100 0.266 0.000 1.145 321 T CB 1.252 70.234 68.868 0.190 0.000 0.963 321 T HN 0.027 nan 8.240 nan 0.000 0.545 322 P HA 0.170 nan 4.420 nan 0.000 0.263 322 P C -0.454 176.965 177.300 0.200 0.000 1.195 322 P CA 0.021 63.256 63.100 0.226 0.000 0.762 322 P CB 0.379 32.182 31.700 0.170 0.000 0.799 323 S N 1.021 116.861 115.700 0.234 0.000 2.688 323 S HA 0.585 5.056 4.470 0.001 0.000 0.275 323 S C 1.233 175.912 174.600 0.132 0.000 1.175 323 S CA -0.232 58.064 58.200 0.160 0.000 0.818 323 S CB 1.113 64.416 63.200 0.172 0.000 1.157 323 S HN 0.342 nan 8.310 nan 0.000 0.482 324 G N 0.603 109.415 108.800 0.021 0.000 2.509 324 G HA2 -0.075 3.886 3.960 0.001 0.000 0.218 324 G HA3 -0.075 3.886 3.960 0.001 0.000 0.218 324 G C 1.307 176.268 174.900 0.102 0.000 1.124 324 G CA 0.657 45.710 45.100 -0.078 0.000 0.776 324 G HN 0.847 nan 8.290 nan 0.000 0.547 325 R N -1.778 118.847 120.500 0.208 0.000 2.290 325 R HA 0.198 4.539 4.340 0.001 0.000 0.197 325 R C -0.309 176.378 176.300 0.644 0.000 0.913 325 R CA -0.164 56.123 56.100 0.311 0.000 1.040 325 R CB 0.138 30.479 30.300 0.068 0.000 0.992 325 R HN 0.278 nan 8.270 nan 0.000 0.500 326 Y N 1.313 121.920 120.300 0.512 0.000 2.325 326 Y HA 0.235 4.786 4.550 0.002 0.000 0.336 326 Y C -1.512 174.670 175.900 0.472 0.000 1.130 326 Y CA -2.281 56.117 58.100 0.497 0.000 1.264 326 Y CB 0.876 39.690 38.460 0.590 0.000 1.128 326 Y HN 0.142 nan 8.280 nan 0.000 0.469 327 F N 5.790 125.657 119.950 -0.139 0.000 2.677 327 F HA 0.503 5.030 4.527 0.001 0.000 0.388 327 F C -2.128 173.561 175.800 -0.185 0.000 1.400 327 F CA -1.738 56.196 58.000 -0.111 0.000 1.162 327 F CB 0.406 39.411 39.000 0.008 0.000 1.135 327 F HN 0.073 nan 8.300 nan 0.000 0.516 328 P HA -0.153 nan 4.420 nan 0.000 0.221 328 P C 0.708 177.699 177.300 -0.515 0.000 1.145 328 P CA 1.407 64.162 63.100 -0.576 0.000 0.795 328 P CB -0.073 31.199 31.700 -0.713 0.000 0.775 329 F N -0.594 119.294 119.950 -0.103 0.000 2.664 329 F HA 0.394 4.922 4.527 0.001 0.000 0.303 329 F C 1.800 177.627 175.800 0.044 0.000 1.092 329 F CA 0.531 58.523 58.000 -0.012 0.000 1.305 329 F CB -0.070 38.934 39.000 0.007 0.000 1.054 329 F HN 0.057 nan 8.300 nan 0.000 0.565 330 G N 1.262 110.198 108.800 0.228 0.000 2.593 330 G HA2 -0.103 3.857 3.960 0.001 0.000 0.237 330 G HA3 -0.103 3.857 3.960 0.001 0.000 0.237 330 G C -1.482 173.552 174.900 0.224 0.000 1.312 330 G CA -0.291 44.965 45.100 0.261 0.000 0.896 330 G HN 0.400 nan 8.290 nan 0.000 0.574 331 L N -0.636 120.664 121.223 0.129 0.000 2.643 331 L HA 0.734 5.075 4.340 0.001 0.000 0.257 331 L C 0.591 177.480 176.870 0.030 0.000 0.922 331 L CA 1.781 56.666 54.840 0.075 0.000 0.909 331 L CB 1.432 43.501 42.059 0.016 0.000 1.424 331 L HN 3.053 nan 8.230 nan 0.000 0.422 332 G N 3.657 112.480 108.800 0.039 0.000 2.482 332 G HA2 -0.195 3.766 3.960 0.001 0.000 0.214 332 G HA3 -0.195 3.766 3.960 0.001 0.000 0.214 332 G C 0.181 175.113 174.900 0.053 0.000 1.271 332 G CA 0.444 45.560 45.100 0.027 0.000 0.944 332 G HN 1.313 nan 8.290 nan 0.000 0.568 333 Q N -0.477 119.351 119.800 0.047 0.000 2.297 333 Q HA 0.124 4.465 4.340 0.001 0.000 0.204 333 Q C 1.815 177.910 176.000 0.159 0.000 0.962 333 Q CA 1.259 57.145 55.803 0.137 0.000 0.879 333 Q CB 0.070 28.919 28.738 0.185 0.000 0.947 333 Q HN 0.379 nan 8.270 nan 0.000 0.462 334 R N 0.916 121.412 120.500 -0.006 0.000 2.388 334 R HA 0.246 4.587 4.340 0.001 0.000 0.247 334 R C 0.040 176.368 176.300 0.048 0.000 0.931 334 R CA -0.431 55.641 56.100 -0.047 0.000 1.082 334 R CB -0.615 29.541 30.300 -0.239 0.000 1.135 334 R HN 0.260 nan 8.270 nan 0.000 0.525 335 L N 1.343 122.618 121.223 0.087 0.000 2.615 335 L HA -0.072 4.269 4.340 0.001 0.000 0.284 335 L C 0.379 177.315 176.870 0.110 0.000 1.237 335 L CA 0.103 55.008 54.840 0.108 0.000 0.905 335 L CB 0.289 42.410 42.059 0.102 0.000 1.149 335 L HN 0.281 nan 8.230 nan 0.000 0.499 336 C N 6.062 125.447 119.300 0.141 0.000 2.155 336 C HA -0.101 4.360 4.460 0.001 0.000 0.396 336 C C 1.872 176.881 174.990 0.032 0.000 1.545 336 C CA 0.217 59.312 59.018 0.129 0.000 1.442 336 C CB -1.294 26.627 27.740 0.302 0.000 2.553 336 C HN 0.955 nan 8.230 nan 0.000 0.598 337 L N 6.116 127.307 121.223 -0.055 0.000 2.131 337 L HA 0.166 4.507 4.340 0.001 0.000 0.210 337 L C 2.160 178.892 176.870 -0.230 0.000 1.092 337 L CA 2.424 57.156 54.840 -0.180 0.000 0.759 337 L CB -0.698 41.142 42.059 -0.365 0.000 0.903 337 L HN 0.884 nan 8.230 nan 0.000 0.435 338 G N -1.342 107.332 108.800 -0.209 0.000 3.383 338 G HA2 -0.017 3.944 3.960 0.001 0.000 0.251 338 G HA3 -0.017 3.944 3.960 0.001 0.000 0.251 338 G C 1.478 176.447 174.900 0.114 0.000 1.203 338 G CA 0.160 45.248 45.100 -0.019 0.000 0.852 338 G HN 0.378 nan 8.290 nan 0.000 0.531 339 R N 0.377 120.837 120.500 -0.067 0.000 2.066 339 R HA -0.072 4.269 4.340 0.001 0.000 0.232 339 R C 1.644 177.786 176.300 -0.262 0.000 1.131 339 R CA 1.669 57.465 56.100 -0.507 0.000 0.955 339 R CB -0.137 29.734 30.300 -0.716 0.000 0.851 339 R HN 0.147 nan 8.270 nan 0.000 0.432 340 D N 0.114 120.493 120.400 -0.036 0.000 2.123 340 D HA -0.201 4.440 4.640 0.001 0.000 0.196 340 D C 1.634 178.033 176.300 0.164 0.000 0.992 340 D CA 1.174 55.208 54.000 0.057 0.000 0.833 340 D CB -0.390 40.460 40.800 0.084 0.000 0.954 340 D HN 0.192 nan 8.370 nan 0.000 0.455 341 F N 1.803 121.837 119.950 0.141 0.000 2.065 341 F HA -0.267 4.261 4.527 0.002 0.000 0.298 341 F C 2.331 178.226 175.800 0.158 0.000 1.112 341 F CA 2.008 60.131 58.000 0.205 0.000 1.212 341 F CB -0.308 38.900 39.000 0.345 0.000 0.975 341 F HN -0.047 nan 8.300 nan 0.000 0.476 342 A N 0.177 123.274 122.820 0.461 0.000 1.940 342 A HA -0.154 4.167 4.320 0.001 0.000 0.219 342 A C 2.169 179.934 177.584 0.301 0.000 1.176 342 A CA 1.791 54.085 52.037 0.428 0.000 0.631 342 A CB -1.200 18.169 19.000 0.615 0.000 0.814 342 A HN 0.500 nan 8.150 nan 0.000 0.446 343 L N -0.936 120.415 121.223 0.213 0.000 2.552 343 L HA -0.022 4.318 4.340 0.001 0.000 0.227 343 L C 2.260 179.149 176.870 0.032 0.000 1.146 343 L CA 0.196 55.143 54.840 0.178 0.000 0.858 343 L CB -0.239 41.900 42.059 0.133 0.000 0.969 343 L HN 0.446 nan 8.230 nan 0.000 0.451 344 L N -0.327 120.885 121.223 -0.017 0.000 2.145 344 L HA -0.058 4.282 4.340 0.001 0.000 0.201 344 L C 2.369 179.148 176.870 -0.152 0.000 1.075 344 L CA 1.551 56.339 54.840 -0.087 0.000 0.773 344 L CB -0.297 41.694 42.059 -0.114 0.000 0.936 344 L HN 0.152 nan 8.230 nan 0.000 0.451 345 E N -0.645 119.446 120.200 -0.182 0.000 2.051 345 E HA -0.181 4.170 4.350 0.001 0.000 0.192 345 E C 2.022 178.476 176.600 -0.242 0.000 0.991 345 E CA 1.200 57.485 56.400 -0.192 0.000 0.799 345 E CB -0.444 29.189 29.700 -0.113 0.000 0.748 345 E HN 0.610 nan 8.360 nan 0.000 0.449 346 G N 1.169 109.699 108.800 -0.450 0.000 2.459 346 G HA2 -0.204 3.757 3.960 0.001 0.000 0.217 346 G HA3 -0.204 3.757 3.960 0.001 0.000 0.217 346 G C -0.834 173.617 174.900 -0.748 0.000 1.183 346 G CA 0.888 45.370 45.100 -1.029 0.000 0.776 346 G HN 0.343 nan 8.290 nan 0.000 0.552 347 P HA 0.006 nan 4.420 nan 0.000 0.218 347 P C 1.909 179.169 177.300 -0.067 0.000 1.149 347 P CA 0.570 63.550 63.100 -0.200 0.000 0.817 347 P CB -0.020 31.628 31.700 -0.086 0.000 0.785 348 I N -1.172 119.347 120.570 -0.085 0.000 2.208 348 I HA -0.221 3.950 4.170 0.001 0.000 0.245 348 I C 2.116 178.265 176.117 0.053 0.000 1.097 348 I CA 1.440 62.729 61.300 -0.018 0.000 1.363 348 I CB -0.593 37.377 38.000 -0.050 0.000 1.051 348 I HN -0.153 nan 8.210 nan 0.000 0.413 349 V N 0.936 120.871 119.914 0.036 0.000 2.307 349 V HA -0.257 3.864 4.120 0.001 0.000 0.245 349 V C 2.359 178.632 176.094 0.298 0.000 1.045 349 V CA 1.572 63.980 62.300 0.180 0.000 1.024 349 V CB -0.481 31.407 31.823 0.107 0.000 0.651 349 V HN 0.345 nan 8.190 nan 0.000 0.449 350 L N -0.598 120.720 121.223 0.159 0.000 2.012 350 L HA -0.188 4.153 4.340 0.001 0.000 0.210 350 L C 2.881 180.000 176.870 0.415 0.000 1.073 350 L CA 1.657 56.663 54.840 0.277 0.000 0.748 350 L CB -0.698 41.490 42.059 0.216 0.000 0.891 350 L HN 0.239 nan 8.230 nan 0.000 0.431 351 R N -0.015 120.652 120.500 0.278 0.000 2.081 351 R HA -0.140 4.201 4.340 0.001 0.000 0.235 351 R C 2.341 178.766 176.300 0.208 0.000 1.131 351 R CA 1.459 57.705 56.100 0.243 0.000 0.960 351 R CB -0.569 29.821 30.300 0.150 0.000 0.856 351 R HN 0.386 nan 8.270 nan 0.000 0.436 352 A N 0.610 123.561 122.820 0.218 0.000 1.902 352 A HA -0.182 4.139 4.320 0.001 0.000 0.217 352 A C 1.970 179.610 177.584 0.093 0.000 1.181 352 A CA 1.069 53.236 52.037 0.216 0.000 0.623 352 A CB -0.583 18.627 19.000 0.350 0.000 0.818 352 A HN 0.327 nan 8.150 nan 0.000 0.443 353 F N -0.519 119.318 119.950 -0.189 0.000 2.084 353 F HA -0.071 4.457 4.527 0.001 0.000 0.296 353 F C 1.716 177.291 175.800 -0.374 0.000 1.111 353 F CA 1.542 59.107 58.000 -0.726 0.000 1.224 353 F CB -0.301 38.142 39.000 -0.929 0.000 0.991 353 F HN 0.188 nan 8.300 nan 0.000 0.471 354 F N 0.475 120.503 119.950 0.129 0.000 2.604 354 F HA 0.068 4.595 4.527 0.001 0.000 0.298 354 F C 2.290 178.062 175.800 -0.047 0.000 1.131 354 F CA 0.645 58.691 58.000 0.077 0.000 1.457 354 F CB -0.658 38.486 39.000 0.241 0.000 1.095 354 F HN -0.128 nan 8.300 nan 0.000 0.574 355 R N -0.275 120.255 120.500 0.049 0.000 2.148 355 R HA -0.067 4.274 4.340 0.001 0.000 0.223 355 R C 2.187 178.384 176.300 -0.171 0.000 1.088 355 R CA 0.894 56.977 56.100 -0.028 0.000 0.985 355 R CB -0.085 30.206 30.300 -0.015 0.000 0.880 355 R HN 0.248 nan 8.270 nan 0.000 0.451 356 R N -1.011 119.268 120.500 -0.367 0.000 2.195 356 R HA 0.154 4.495 4.340 0.001 0.000 0.197 356 R C -0.341 175.444 176.300 -0.859 0.000 0.990 356 R CA 0.421 56.109 56.100 -0.688 0.000 1.048 356 R CB 0.601 30.349 30.300 -0.921 0.000 0.997 356 R HN -0.084 nan 8.270 nan 0.000 0.502 357 F N -0.396 119.262 119.950 -0.487 0.000 2.650 357 F HA 0.573 5.100 4.527 0.001 0.000 0.320 357 F C -0.002 175.696 175.800 -0.170 0.000 1.091 357 F CA -1.320 56.398 58.000 -0.471 0.000 0.962 357 F CB 1.411 39.846 39.000 -0.941 0.000 1.363 357 F HN -0.322 nan 8.300 nan 0.000 0.482 358 R N 0.809 121.459 120.500 0.250 0.000 2.912 358 R HA 0.795 5.136 4.340 0.001 0.000 0.262 358 R C -1.688 174.825 176.300 0.355 0.000 1.057 358 R CA -1.108 55.222 56.100 0.383 0.000 0.981 358 R CB 2.305 32.759 30.300 0.256 0.000 1.201 358 R HN 0.585 nan 8.270 nan 0.000 0.484 359 L N 0.795 122.249 121.223 0.384 0.000 2.408 359 L HA 0.366 4.706 4.340 0.001 0.000 0.268 359 L C -0.463 176.491 176.870 0.141 0.000 0.986 359 L CA -0.990 53.996 54.840 0.243 0.000 0.820 359 L CB 2.302 44.519 42.059 0.264 0.000 1.303 359 L HN 0.349 nan 8.230 nan 0.000 0.411 360 D N 2.417 122.854 120.400 0.062 0.000 2.362 360 D HA 0.180 4.820 4.640 0.001 0.000 0.242 360 D C -2.290 173.967 176.300 -0.072 0.000 1.132 360 D CA -0.956 53.046 54.000 0.003 0.000 0.907 360 D CB 0.723 41.520 40.800 -0.005 0.000 1.195 360 D HN 0.171 nan 8.370 nan 0.000 0.429 361 P HA 0.030 nan 4.420 nan 0.000 0.262 361 P C -0.410 176.725 177.300 -0.274 0.000 1.182 361 P CA 0.323 63.135 63.100 -0.480 0.000 0.761 361 P CB 0.473 31.854 31.700 -0.531 0.000 0.795 362 L N 6.067 127.163 121.223 -0.211 0.000 2.322 362 L HA 0.444 4.785 4.340 0.001 0.000 0.279 362 L C -1.917 175.000 176.870 0.079 0.000 1.036 362 L CA -2.485 52.327 54.840 -0.046 0.000 0.807 362 L CB 1.297 43.303 42.059 -0.088 0.000 1.226 362 L HN 0.210 nan 8.230 nan 0.000 0.433 363 P HA 0.022 nan 4.420 nan 0.000 0.268 363 P C -0.768 176.596 177.300 0.108 0.000 1.204 363 P CA 0.096 63.283 63.100 0.145 0.000 0.768 363 P CB 0.218 31.973 31.700 0.092 0.000 0.842 364 F N 4.790 124.799 119.950 0.098 0.000 2.506 364 F HA 0.174 4.702 4.527 0.001 0.000 0.371 364 F C -0.589 175.253 175.800 0.070 0.000 1.078 364 F CA -0.850 57.199 58.000 0.081 0.000 1.195 364 F CB -0.000 39.033 39.000 0.056 0.000 1.099 364 F HN 0.291 nan 8.300 nan 0.000 0.548 365 P HA 0.299 nan 4.420 nan 0.000 0.280 365 P C -0.739 176.674 177.300 0.188 0.000 1.272 365 P CA -0.806 62.381 63.100 0.144 0.000 0.819 365 P CB 0.928 32.658 31.700 0.051 0.000 1.122 366 R N -0.327 120.244 120.500 0.118 0.000 2.679 366 R HA 0.240 4.581 4.340 0.001 0.000 0.268 366 R C -0.339 176.053 176.300 0.153 0.000 1.044 366 R CA -0.360 55.800 56.100 0.100 0.000 1.105 366 R CB 0.117 30.440 30.300 0.038 0.000 0.989 366 R HN 0.256 nan 8.270 nan 0.000 0.447 367 V N 5.353 125.339 119.914 0.120 0.000 2.385 367 V HA 0.179 4.300 4.120 0.001 0.000 0.269 367 V C 0.331 176.414 176.094 -0.018 0.000 1.043 367 V CA -0.381 61.999 62.300 0.134 0.000 0.906 367 V CB 0.900 32.717 31.823 -0.009 0.000 0.995 367 V HN 0.484 nan 8.190 nan 0.000 0.467 368 L N 4.624 125.861 121.223 0.023 0.000 2.265 368 L HA 0.564 4.904 4.340 0.001 0.000 0.288 368 L C 0.775 177.544 176.870 -0.169 0.000 1.058 368 L CA -0.342 54.456 54.840 -0.071 0.000 0.809 368 L CB 1.224 43.275 42.059 -0.014 0.000 1.179 368 L HN 0.705 nan 8.230 nan 0.000 0.429 369 A N 4.723 127.325 122.820 -0.364 0.000 2.922 369 A HA 0.380 4.701 4.320 0.001 0.000 0.298 369 A C 0.232 177.719 177.584 -0.160 0.000 1.588 369 A CA -0.359 51.254 52.037 -0.706 0.000 1.288 369 A CB -0.101 18.131 19.000 -1.279 0.000 1.130 369 A HN 0.856 nan 8.150 nan 0.000 0.557 370 Q N 0.138 119.988 119.800 0.084 0.000 2.926 370 Q HA 0.309 4.650 4.340 0.001 0.000 0.186 370 Q C 1.353 177.571 176.000 0.363 0.000 1.066 370 Q CA -0.674 55.250 55.803 0.202 0.000 0.821 370 Q CB 0.211 29.015 28.738 0.109 0.000 2.959 370 Q HN 0.288 nan 8.270 nan 0.000 0.406 371 V N 0.410 120.454 119.914 0.215 0.000 2.392 371 V HA -0.182 3.938 4.120 0.001 0.000 0.249 371 V C 1.265 177.482 176.094 0.204 0.000 1.059 371 V CA 2.060 64.460 62.300 0.167 0.000 1.051 371 V CB -1.015 30.872 31.823 0.106 0.000 0.658 371 V HN 0.866 nan 8.190 nan 0.000 0.455 372 T N -2.947 111.747 114.554 0.233 0.000 2.910 372 T HA 0.607 4.957 4.350 0.001 0.000 0.287 372 T C -0.597 174.288 174.700 0.309 0.000 1.050 372 T CA -0.827 61.449 62.100 0.293 0.000 1.011 372 T CB 1.597 70.580 68.868 0.193 0.000 1.195 372 T HN 0.007 nan 8.240 nan 0.000 0.540 373 L N 2.011 123.420 121.223 0.311 0.000 2.418 373 L HA 0.416 4.757 4.340 0.001 0.000 0.274 373 L C 0.643 177.811 176.870 0.496 0.000 1.135 373 L CA -0.331 54.657 54.840 0.248 0.000 0.870 373 L CB -0.011 42.124 42.059 0.126 0.000 1.154 373 L HN 0.458 nan 8.230 nan 0.000 0.462 374 R N 4.587 125.301 120.500 0.356 0.000 2.744 374 R HA 0.493 4.834 4.340 0.001 0.000 0.279 374 R C -2.616 173.778 176.300 0.157 0.000 0.977 374 R CA -2.135 54.073 56.100 0.180 0.000 0.906 374 R CB 2.296 32.628 30.300 0.053 0.000 1.197 374 R HN 0.274 nan 8.270 nan 0.000 0.463 375 P HA 0.091 nan 4.420 nan 0.000 0.281 375 P C -0.522 176.733 177.300 -0.075 0.000 1.252 375 P CA -0.266 62.727 63.100 -0.177 0.000 0.778 375 P CB 0.871 32.238 31.700 -0.555 0.000 0.895 376 E N 2.621 122.821 120.200 0.001 0.000 2.417 376 E HA 0.180 4.531 4.350 0.001 0.000 0.261 376 E C 1.087 177.666 176.600 -0.034 0.000 1.000 376 E CA 0.486 56.880 56.400 -0.009 0.000 0.919 376 E CB -0.504 29.203 29.700 0.010 0.000 0.955 376 E HN 0.798 nan 8.360 nan 0.000 0.455 377 G N 3.129 111.906 108.800 -0.039 0.000 2.153 377 G HA2 -0.267 3.694 3.960 0.001 0.000 0.252 377 G HA3 -0.267 3.694 3.960 0.001 0.000 0.252 377 G C 0.739 175.597 174.900 -0.069 0.000 0.994 377 G CA 0.335 45.407 45.100 -0.048 0.000 0.698 377 G HN 1.428 nan 8.290 nan 0.000 0.521 378 G N -1.250 107.498 108.800 -0.088 0.000 2.562 378 G HA2 0.113 4.074 3.960 0.001 0.000 0.250 378 G HA3 0.113 4.074 3.960 0.001 0.000 0.250 378 G C -0.126 174.681 174.900 -0.156 0.000 1.269 378 G CA 0.362 45.392 45.100 -0.116 0.000 0.919 378 G HN 1.830 nan 8.290 nan 0.000 0.574 379 L N 1.742 122.874 121.223 -0.152 0.000 2.470 379 L HA 0.550 4.891 4.340 0.001 0.000 0.256 379 L C -2.292 174.492 176.870 -0.142 0.000 1.357 379 L CA -1.394 53.344 54.840 -0.169 0.000 0.902 379 L CB 1.631 43.554 42.059 -0.227 0.000 1.121 379 L HN 0.376 nan 8.230 nan 0.000 0.507 380 P HA 0.433 nan 4.420 nan 0.000 0.268 380 P C -0.919 176.301 177.300 -0.133 0.000 1.204 380 P CA 0.080 63.104 63.100 -0.127 0.000 0.768 380 P CB 1.102 32.739 31.700 -0.105 0.000 0.842 381 A N 2.878 125.604 122.820 -0.157 0.000 2.589 381 A HA 0.639 4.959 4.320 0.001 0.000 0.296 381 A C -1.045 176.437 177.584 -0.170 0.000 1.062 381 A CA -0.743 51.204 52.037 -0.151 0.000 0.686 381 A CB 1.508 20.403 19.000 -0.175 0.000 1.282 381 A HN 0.472 nan 8.150 nan 0.000 0.404 382 R N 2.004 122.425 120.500 -0.130 0.000 2.272 382 R HA 0.502 4.843 4.340 0.001 0.000 0.323 382 R C -2.791 173.436 176.300 -0.122 0.000 1.002 382 R CA -1.751 54.264 56.100 -0.140 0.000 0.900 382 R CB 0.787 31.027 30.300 -0.100 0.000 1.151 382 R HN 0.449 nan 8.270 nan 0.000 0.507 383 P HA 0.052 nan 4.420 nan 0.000 0.267 383 P C -0.787 176.439 177.300 -0.124 0.000 1.205 383 P CA 0.098 63.025 63.100 -0.288 0.000 0.765 383 P CB 0.671 31.767 31.700 -1.006 0.000 0.828 384 R N 2.117 122.662 120.500 0.075 0.000 2.828 384 R HA 0.628 4.969 4.340 0.001 0.000 0.264 384 R C 0.395 176.827 176.300 0.220 0.000 1.022 384 R CA -0.303 55.873 56.100 0.128 0.000 1.021 384 R CB 1.000 31.357 30.300 0.095 0.000 1.163 384 R HN 0.616 nan 8.270 nan 0.000 0.494 385 E N 0.000 120.286 120.200 0.143 0.000 2.725 385 E HA 0.000 4.351 4.350 0.001 0.000 0.291 385 E CA 0.000 56.452 56.400 0.086 0.000 0.976 385 E CB 0.000 29.730 29.700 0.049 0.000 0.812 385 E HN 0.000 nan 8.360 nan 0.000 0.440