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 2r5i_1_K DATA FIRST_RESID 20 DATA SEQUENCE AVVNTDDYVT RTSIFYHAGS SRLLTVGDPY FRVPAGGGNK QDIPKVSAYQ DATA SEQUENCE YRVFRVQLPD PNKFGLPDTS IYNPETQRLV WACAGVEIGR GQPLGVGLSG DATA SEQUENCE HPFYNKLDDT ESSHAATSNV SEDVRDNVSV DYKQTQLCIL GCAPAIGEHW DATA SEQUENCE AKGTASKSRP LSQGDCPPLE LKNTVLEDGD MVDTGYGAMD FSTLQDTKCE DATA SEQUENCE VPLDICQSIC KYPDYLQMSA DPYGDSMFFC LRREQLFARH FWNRAGTMGD DATA SEQUENCE TVPQSLYIKG TGMRASPGSC VYSPSPSGSI VTSDSQLFNK PYWLHKAQGH DATA SEQUENCE NNGVCWHNQL FVTVVDTTRS TNLTICASTQ SPVPGQYDAT KFKQYSRHVE DATA SEQUENCE EYDLQFIFQL CTITLTADVM SYIQSMNSSI LEDWNXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXNK DPYDKLKFWN VDLKEKFSLD LDQYPLGRKF DATA SEQUENCE LVQAGL 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 20 A HA 0.000 nan 4.320 nan 0.000 0.244 20 A C 0.000 177.612 177.584 0.046 0.000 1.274 20 A CA 0.000 52.051 52.037 0.023 0.000 0.836 20 A CB 0.000 19.009 19.000 0.015 0.000 0.831 21 V N 2.226 122.116 119.914 -0.041 0.000 2.732 21 V HA 0.571 4.691 4.120 -0.000 0.000 0.297 21 V C 0.228 176.172 176.094 -0.250 0.000 1.060 21 V CA -0.180 62.087 62.300 -0.056 0.000 1.038 21 V CB 1.505 33.164 31.823 -0.273 0.000 1.003 21 V HN 0.825 nan 8.190 nan 0.000 0.481 22 V N 3.093 122.955 119.914 -0.087 0.000 2.914 22 V HA 0.415 4.535 4.120 -0.000 0.000 0.314 22 V C 0.127 176.252 176.094 0.051 0.000 1.084 22 V CA -1.183 61.027 62.300 -0.151 0.000 0.963 22 V CB 2.009 33.754 31.823 -0.130 0.000 1.025 22 V HN 0.828 nan 8.190 nan 0.000 0.432 23 N N 1.872 120.632 118.700 0.100 0.000 2.412 23 N HA -0.028 4.712 4.740 -0.000 0.000 0.258 23 N C 1.480 177.077 175.510 0.145 0.000 1.236 23 N CA 0.862 54.048 53.050 0.226 0.000 0.882 23 N CB 1.673 40.272 38.487 0.186 0.000 1.066 23 N HN 1.042 nan 8.380 nan 0.000 0.465 24 T N -0.378 114.230 114.554 0.090 0.000 2.881 24 T HA -0.131 4.219 4.350 -0.000 0.000 0.270 24 T C 0.805 175.326 174.700 -0.298 0.000 1.068 24 T CA 1.084 63.016 62.100 -0.280 0.000 1.131 24 T CB -0.009 68.759 68.868 -0.166 0.000 0.871 24 T HN 0.470 nan 8.240 nan 0.000 0.479 25 D N 1.546 121.890 120.400 -0.094 0.000 2.354 25 D HA -0.092 4.548 4.640 -0.000 0.000 0.216 25 D C 1.186 177.469 176.300 -0.028 0.000 0.970 25 D CA 0.930 54.898 54.000 -0.054 0.000 0.905 25 D CB -0.199 40.601 40.800 0.000 0.000 0.903 25 D HN 0.492 nan 8.370 nan 0.000 0.508 26 D N -0.576 119.819 120.400 -0.009 0.000 2.240 26 D HA -0.052 4.588 4.640 -0.000 0.000 0.206 26 D C 1.445 177.821 176.300 0.128 0.000 0.963 26 D CA 0.550 54.590 54.000 0.066 0.000 0.863 26 D CB 0.090 40.950 40.800 0.100 0.000 0.973 26 D HN 0.504 nan 8.370 nan 0.000 0.501 27 Y N -1.942 118.386 120.300 0.046 0.000 2.527 27 Y HA 0.508 5.058 4.550 -0.000 0.000 0.247 27 Y C -0.262 175.707 175.900 0.114 0.000 1.138 27 Y CA -0.525 57.615 58.100 0.068 0.000 1.228 27 Y CB 0.304 38.798 38.460 0.057 0.000 1.252 27 Y HN -0.355 nan 8.280 nan 0.000 0.531 28 V N 2.389 122.230 119.914 -0.121 0.000 2.376 28 V HA 0.319 4.439 4.120 -0.000 0.000 0.287 28 V C -0.219 175.849 176.094 -0.044 0.000 1.015 28 V CA -0.633 61.625 62.300 -0.070 0.000 0.834 28 V CB 1.296 33.010 31.823 -0.181 0.000 1.001 28 V HN 0.366 nan 8.190 nan 0.000 0.428 29 T N 5.298 119.847 114.554 -0.009 0.000 2.856 29 T HA 0.472 4.822 4.350 -0.000 0.000 0.292 29 T C 0.119 174.800 174.700 -0.032 0.000 0.980 29 T CA -0.521 61.572 62.100 -0.011 0.000 1.091 29 T CB 0.788 69.659 68.868 0.005 0.000 0.936 29 T HN 0.496 nan 8.240 nan 0.000 0.503 30 R N 1.721 122.207 120.500 -0.023 0.000 2.312 30 R HA 0.476 4.816 4.340 -0.000 0.000 0.311 30 R C 1.080 177.354 176.300 -0.044 0.000 1.004 30 R CA -0.566 55.513 56.100 -0.034 0.000 0.902 30 R CB 0.982 31.279 30.300 -0.004 0.000 1.073 30 R HN 0.848 nan 8.270 nan 0.000 0.457 31 T N -1.671 112.832 114.554 -0.085 0.000 2.867 31 T HA 0.165 4.515 4.350 -0.000 0.000 0.286 31 T C 0.928 175.546 174.700 -0.136 0.000 1.022 31 T CA -0.604 61.445 62.100 -0.085 0.000 0.933 31 T CB 1.133 69.947 68.868 -0.091 0.000 1.280 31 T HN 0.501 nan 8.240 nan 0.000 0.566 32 S N -0.549 115.087 115.700 -0.106 0.000 2.601 32 S HA 0.333 4.803 4.470 -0.000 0.000 0.244 32 S C 0.126 174.629 174.600 -0.162 0.000 1.001 32 S CA -0.747 57.401 58.200 -0.086 0.000 0.984 32 S CB -0.345 62.888 63.200 0.055 0.000 0.842 32 S HN 0.563 nan 8.310 nan 0.000 0.474 33 I N 2.351 122.786 120.570 -0.225 0.000 2.365 33 I HA 0.484 4.654 4.170 -0.000 0.000 0.291 33 I C -0.613 175.382 176.117 -0.203 0.000 1.004 33 I CA -1.332 59.922 61.300 -0.077 0.000 1.311 33 I CB -0.111 37.948 38.000 0.099 0.000 1.401 33 I HN 0.183 nan 8.210 nan 0.000 0.491 34 F N 5.701 125.731 119.950 0.133 0.000 2.547 34 F HA 0.472 4.999 4.527 -0.000 0.000 0.316 34 F C -0.390 175.415 175.800 0.010 0.000 1.121 34 F CA -0.639 57.426 58.000 0.109 0.000 0.911 34 F CB 1.695 40.670 39.000 -0.041 0.000 1.179 34 F HN 0.234 nan 8.300 nan 0.000 0.443 35 Y N 1.770 122.168 120.300 0.163 0.000 2.528 35 Y HA 0.395 4.945 4.550 -0.000 0.000 0.335 35 Y C -0.024 175.753 175.900 -0.205 0.000 1.093 35 Y CA -0.804 57.310 58.100 0.023 0.000 1.134 35 Y CB 1.279 39.744 38.460 0.008 0.000 1.253 35 Y HN 0.488 nan 8.280 nan 0.000 0.478 36 H N 1.274 120.242 119.070 -0.169 0.000 2.573 36 H HA 0.874 5.430 4.556 -0.000 0.000 0.351 36 H C -1.773 173.241 175.328 -0.522 0.000 1.163 36 H CA -0.901 54.931 56.048 -0.359 0.000 1.205 36 H CB 1.681 31.243 29.762 -0.333 0.000 1.605 36 H HN 0.796 nan 8.280 nan 0.000 0.525 37 A N 2.246 124.517 122.820 -0.916 0.000 2.547 37 A HA 0.662 4.982 4.320 -0.000 0.000 0.297 37 A C -0.949 176.411 177.584 -0.373 0.000 1.056 37 A CA -0.078 51.656 52.037 -0.505 0.000 0.688 37 A CB 1.666 20.237 19.000 -0.715 0.000 1.282 37 A HN 0.976 nan 8.150 nan 0.000 0.400 38 G N 0.385 109.153 108.800 -0.054 0.000 2.746 38 G HA2 0.646 4.606 3.960 -0.000 0.000 0.297 38 G HA3 0.646 4.606 3.960 -0.000 0.000 0.297 38 G C -0.241 174.690 174.900 0.052 0.000 1.426 38 G CA 0.222 45.330 45.100 0.013 0.000 0.989 38 G HN 1.735 nan 8.290 nan 0.000 0.520 39 S N 0.659 116.377 115.700 0.031 0.000 2.579 39 S HA 0.365 4.835 4.470 -0.000 0.000 0.275 39 S C 1.698 176.313 174.600 0.025 0.000 1.345 39 S CA 0.554 58.763 58.200 0.016 0.000 1.031 39 S CB 1.232 64.395 63.200 -0.061 0.000 0.892 39 S HN 1.435 nan 8.310 nan 0.000 0.529 40 S N 2.488 118.218 115.700 0.050 0.000 2.500 40 S HA -0.063 4.407 4.470 -0.000 0.000 0.210 40 S C 0.839 175.460 174.600 0.036 0.000 1.101 40 S CA 0.718 58.953 58.200 0.057 0.000 1.272 40 S CB -0.568 62.676 63.200 0.075 0.000 1.071 40 S HN 1.025 nan 8.310 nan 0.000 0.397 41 R N 0.275 120.806 120.500 0.051 0.000 2.867 41 R HA 0.350 4.690 4.340 -0.000 0.000 0.288 41 R C -1.738 174.625 176.300 0.104 0.000 1.360 41 R CA -0.361 55.766 56.100 0.046 0.000 1.042 41 R CB 0.295 30.621 30.300 0.044 0.000 1.287 41 R HN 0.442 nan 8.270 nan 0.000 0.404 42 L N 4.218 125.499 121.223 0.097 0.000 2.456 42 L HA 0.389 4.729 4.340 -0.000 0.000 0.272 42 L C -0.305 176.770 176.870 0.341 0.000 1.189 42 L CA -0.353 54.639 54.840 0.253 0.000 0.846 42 L CB 0.561 42.610 42.059 -0.016 0.000 1.111 42 L HN 0.490 nan 8.230 nan 0.000 0.475 43 L N 2.315 123.823 121.223 0.476 0.000 2.506 43 L HA 0.700 5.040 4.340 -0.000 0.000 0.257 43 L C -0.707 176.356 176.870 0.321 0.000 0.964 43 L CA 0.085 55.127 54.840 0.337 0.000 0.836 43 L CB 2.557 44.723 42.059 0.179 0.000 1.384 43 L HN 0.635 nan 8.230 nan 0.000 0.410 44 T N 2.997 117.686 114.554 0.225 0.000 3.291 44 T HA 0.690 5.040 4.350 -0.000 0.000 0.344 44 T C -1.753 172.962 174.700 0.025 0.000 1.293 44 T CA 0.053 62.211 62.100 0.096 0.000 1.108 44 T CB 0.899 69.810 68.868 0.071 0.000 1.231 44 T HN 1.154 nan 8.240 nan 0.000 0.474 45 V N 1.729 121.635 119.914 -0.013 0.000 2.962 45 V HA 1.119 5.239 4.120 -0.000 0.000 0.313 45 V C 0.127 176.206 176.094 -0.025 0.000 1.099 45 V CA 0.101 62.382 62.300 -0.032 0.000 0.971 45 V CB 1.381 33.185 31.823 -0.030 0.000 1.028 45 V HN 1.412 nan 8.190 nan 0.000 0.430 46 G N 1.259 110.048 108.800 -0.018 0.000 2.489 46 G HA2 0.405 4.365 3.960 -0.000 0.000 0.305 46 G HA3 0.405 4.365 3.960 -0.000 0.000 0.305 46 G C -2.062 172.822 174.900 -0.027 0.000 1.311 46 G CA -0.181 44.912 45.100 -0.011 0.000 0.813 46 G HN 0.970 nan 8.290 nan 0.000 0.480 47 D N 0.141 120.504 120.400 -0.061 0.000 2.210 47 D HA 0.380 5.020 4.640 -0.000 0.000 0.249 47 D C -1.348 174.842 176.300 -0.183 0.000 1.062 47 D CA -1.891 52.001 54.000 -0.181 0.000 0.891 47 D CB 2.647 43.297 40.800 -0.252 0.000 1.186 47 D HN 0.051 nan 8.370 nan 0.000 0.432 48 P HA -0.058 nan 4.420 nan 0.000 0.231 48 P C 0.797 178.102 177.300 0.007 0.000 1.168 48 P CA 0.845 63.841 63.100 -0.173 0.000 0.779 48 P CB 0.152 31.666 31.700 -0.310 0.000 0.844 49 Y N -0.430 119.716 120.300 -0.257 0.000 2.507 49 Y HA 0.247 4.797 4.550 -0.000 0.000 0.263 49 Y C 0.794 176.660 175.900 -0.056 0.000 1.093 49 Y CA -0.801 57.167 58.100 -0.220 0.000 1.285 49 Y CB 0.370 38.636 38.460 -0.325 0.000 1.115 49 Y HN -0.138 nan 8.280 nan 0.000 0.533 50 F N -0.953 119.102 119.950 0.174 0.000 2.765 50 F HA 0.372 4.899 4.527 -0.000 0.000 0.313 50 F C -1.056 174.789 175.800 0.076 0.000 1.136 50 F CA -2.371 55.697 58.000 0.115 0.000 0.952 50 F CB 0.485 39.548 39.000 0.105 0.000 1.268 50 F HN -0.132 nan 8.300 nan 0.000 0.441 51 R N 1.298 122.007 120.500 0.349 0.000 2.594 51 R HA 0.718 5.058 4.340 -0.000 0.000 0.272 51 R C -1.507 174.972 176.300 0.298 0.000 1.074 51 R CA -0.694 55.546 56.100 0.233 0.000 1.105 51 R CB 1.150 31.529 30.300 0.132 0.000 1.008 51 R HN 0.540 nan 8.270 nan 0.000 0.472 52 V N 4.353 124.394 119.914 0.212 0.000 2.328 52 V HA 0.269 4.389 4.120 -0.000 0.000 0.278 52 V C -2.025 174.136 176.094 0.112 0.000 1.021 52 V CA -2.342 60.078 62.300 0.199 0.000 0.838 52 V CB 1.166 33.098 31.823 0.182 0.000 0.999 52 V HN 0.815 nan 8.190 nan 0.000 0.447 53 P HA 0.075 nan 4.420 nan 0.000 0.262 53 P C 0.257 177.584 177.300 0.046 0.000 1.182 53 P CA 0.313 63.442 63.100 0.049 0.000 0.761 53 P CB 0.372 32.090 31.700 0.030 0.000 0.795 54 A N 4.357 127.198 122.820 0.035 0.000 2.630 54 A HA 0.183 4.503 4.320 -0.000 0.000 0.231 54 A C 1.676 179.277 177.584 0.027 0.000 1.023 54 A CA 0.655 52.709 52.037 0.028 0.000 0.773 54 A CB -1.031 17.979 19.000 0.018 0.000 0.923 54 A HN 0.899 nan 8.150 nan 0.000 0.497 55 G N 1.903 110.718 108.800 0.025 0.000 2.425 55 G HA2 -0.086 3.874 3.960 -0.000 0.000 0.298 55 G HA3 -0.086 3.874 3.960 -0.000 0.000 0.298 55 G C 1.178 176.094 174.900 0.027 0.000 0.837 55 G CA 1.204 46.319 45.100 0.024 0.000 0.961 55 G HN 1.830 nan 8.290 nan 0.000 0.496 56 G N 0.188 109.010 108.800 0.037 0.000 2.484 56 G HA2 0.100 4.060 3.960 -0.000 0.000 0.215 56 G HA3 0.100 4.060 3.960 -0.000 0.000 0.215 56 G C 1.655 176.578 174.900 0.038 0.000 1.219 56 G CA 1.203 46.325 45.100 0.036 0.000 0.791 56 G HN 0.947 nan 8.290 nan 0.000 0.550 57 G N 0.925 109.757 108.800 0.053 0.000 2.557 57 G HA2 0.110 4.070 3.960 -0.000 0.000 0.213 57 G HA3 0.110 4.070 3.960 -0.000 0.000 0.213 57 G C 0.595 175.517 174.900 0.037 0.000 1.221 57 G CA 0.589 45.723 45.100 0.056 0.000 0.832 57 G HN 0.649 nan 8.290 nan 0.000 0.556 58 N N 0.239 118.959 118.700 0.034 0.000 2.354 58 N HA 0.173 4.913 4.740 -0.000 0.000 0.287 58 N C -0.502 175.016 175.510 0.014 0.000 1.016 58 N CA -0.715 52.344 53.050 0.015 0.000 0.871 58 N CB 2.021 40.505 38.487 -0.004 0.000 1.299 58 N HN 0.280 nan 8.380 nan 0.000 0.482 59 K N 2.179 122.584 120.400 0.009 0.000 2.490 59 K HA -0.301 4.019 4.320 -0.000 0.000 0.264 59 K C -0.543 176.061 176.600 0.007 0.000 1.027 59 K CA 0.938 57.229 56.287 0.008 0.000 1.139 59 K CB -0.017 32.484 32.500 0.003 0.000 0.792 59 K HN 0.847 nan 8.250 nan 0.000 0.479 60 Q N 2.367 122.172 119.800 0.009 0.000 3.182 60 Q HA -0.148 4.192 4.340 -0.000 0.000 0.046 60 Q C -1.392 174.615 176.000 0.012 0.000 1.680 60 Q CA 0.874 56.681 55.803 0.007 0.000 0.262 60 Q CB -0.021 28.717 28.738 -0.000 0.000 0.583 60 Q HN 0.785 nan 8.270 nan 0.000 0.322 61 D N 3.693 124.101 120.400 0.013 0.000 2.525 61 D HA 0.045 4.685 4.640 -0.000 0.000 0.235 61 D C 0.301 176.612 176.300 0.018 0.000 1.137 61 D CA 0.615 54.628 54.000 0.021 0.000 0.868 61 D CB 0.418 41.227 40.800 0.015 0.000 1.180 61 D HN 0.320 nan 8.370 nan 0.000 0.465 62 I N 4.492 125.084 120.570 0.036 0.000 2.306 62 I HA 0.176 4.346 4.170 -0.000 0.000 0.288 62 I C -2.070 174.068 176.117 0.035 0.000 1.036 62 I CA -2.096 59.222 61.300 0.029 0.000 1.221 62 I CB 0.948 38.976 38.000 0.046 0.000 1.385 62 I HN -0.063 nan 8.210 nan 0.000 0.472 63 P HA 0.054 nan 4.420 nan 0.000 0.271 63 P C -0.263 177.055 177.300 0.030 0.000 1.233 63 P CA -0.415 62.693 63.100 0.014 0.000 0.789 63 P CB 0.718 32.405 31.700 -0.022 0.000 0.951 64 K N 1.687 122.117 120.400 0.050 0.000 2.263 64 K HA 0.290 4.610 4.320 -0.000 0.000 0.282 64 K C -1.372 175.276 176.600 0.081 0.000 1.089 64 K CA -0.342 55.988 56.287 0.071 0.000 0.907 64 K CB -0.004 32.563 32.500 0.112 0.000 1.148 64 K HN 0.178 nan 8.250 nan 0.000 0.470 65 V N 3.290 123.256 119.914 0.086 0.000 2.350 65 V HA 0.217 4.337 4.120 -0.000 0.000 0.285 65 V C -0.219 176.027 176.094 0.254 0.000 1.014 65 V CA -0.526 61.853 62.300 0.132 0.000 0.831 65 V CB 1.269 33.136 31.823 0.075 0.000 1.000 65 V HN 0.742 nan 8.190 nan 0.000 0.433 66 S N 3.432 119.308 115.700 0.293 0.000 2.599 66 S HA 0.749 5.219 4.470 -0.000 0.000 0.294 66 S C 0.998 175.792 174.600 0.324 0.000 1.094 66 S CA 0.189 58.587 58.200 0.330 0.000 0.931 66 S CB 2.155 65.536 63.200 0.301 0.000 1.093 66 S HN 0.860 nan 8.310 nan 0.000 0.488 67 A N 1.995 124.889 122.820 0.124 0.000 2.167 67 A HA 0.200 4.520 4.320 -0.000 0.000 0.214 67 A C 0.426 177.878 177.584 -0.221 0.000 1.151 67 A CA 0.704 52.728 52.037 -0.021 0.000 0.735 67 A CB -0.534 18.283 19.000 -0.306 0.000 0.802 67 A HN 0.819 nan 8.150 nan 0.000 0.467 68 Y N 1.082 121.484 120.300 0.169 0.000 2.718 68 Y HA 0.228 4.778 4.550 -0.000 0.000 0.322 68 Y C 0.617 176.585 175.900 0.113 0.000 1.122 68 Y CA -0.300 57.890 58.100 0.149 0.000 1.348 68 Y CB -0.199 38.392 38.460 0.217 0.000 1.174 68 Y HN 0.524 nan 8.280 nan 0.000 0.523 69 Q N -1.749 118.166 119.800 0.192 0.000 2.377 69 Q HA 0.407 4.747 4.340 -0.000 0.000 0.271 69 Q C -1.428 174.651 176.000 0.132 0.000 1.077 69 Q CA -1.302 54.614 55.803 0.187 0.000 0.820 69 Q CB 1.465 30.333 28.738 0.217 0.000 1.347 69 Q HN 0.194 nan 8.270 nan 0.000 0.444 70 Y N 0.843 121.214 120.300 0.118 0.000 2.497 70 Y HA 0.123 4.673 4.550 -0.000 0.000 0.334 70 Y C 0.476 176.392 175.900 0.026 0.000 1.199 70 Y CA 0.018 58.169 58.100 0.085 0.000 1.425 70 Y CB 0.682 39.181 38.460 0.066 0.000 1.291 70 Y HN 0.288 nan 8.280 nan 0.000 0.562 71 R N 2.634 123.191 120.500 0.094 0.000 2.295 71 R HA 0.464 4.804 4.340 -0.000 0.000 0.324 71 R C -1.512 174.637 176.300 -0.252 0.000 0.968 71 R CA -0.696 55.284 56.100 -0.200 0.000 0.837 71 R CB 1.201 31.228 30.300 -0.456 0.000 1.133 71 R HN 0.412 nan 8.270 nan 0.000 0.450 72 V N 5.078 124.846 119.914 -0.244 0.000 2.409 72 V HA 0.462 4.582 4.120 -0.000 0.000 0.291 72 V C -0.510 175.448 176.094 -0.228 0.000 1.020 72 V CA -0.732 61.512 62.300 -0.093 0.000 0.848 72 V CB 1.244 33.179 31.823 0.187 0.000 0.990 72 V HN 0.478 nan 8.190 nan 0.000 0.430 73 F N 3.359 123.304 119.950 -0.009 0.000 2.426 73 F HA 0.566 5.093 4.527 -0.000 0.000 0.348 73 F C 0.561 176.248 175.800 -0.189 0.000 1.124 73 F CA -0.596 57.346 58.000 -0.096 0.000 1.008 73 F CB 1.554 40.419 39.000 -0.226 0.000 1.139 73 F HN 0.333 nan 8.300 nan 0.000 0.452 74 R N 3.659 124.078 120.500 -0.136 0.000 2.230 74 R HA 0.529 4.869 4.340 -0.000 0.000 0.337 74 R C -1.524 174.602 176.300 -0.291 0.000 1.063 74 R CA -0.312 55.465 56.100 -0.539 0.000 0.935 74 R CB 0.529 30.512 30.300 -0.529 0.000 1.121 74 R HN 0.543 nan 8.270 nan 0.000 0.486 75 V N 4.486 124.203 119.914 -0.329 0.000 2.383 75 V HA 0.151 4.271 4.120 -0.000 0.000 0.275 75 V C -0.036 175.905 176.094 -0.256 0.000 1.036 75 V CA -0.619 61.546 62.300 -0.225 0.000 0.889 75 V CB 1.381 33.042 31.823 -0.270 0.000 0.985 75 V HN 0.647 nan 8.190 nan 0.000 0.459 76 Q N 4.465 124.162 119.800 -0.173 0.000 2.303 76 Q HA 0.589 4.929 4.340 -0.000 0.000 0.257 76 Q C -1.013 174.879 176.000 -0.181 0.000 0.941 76 Q CA 0.036 55.748 55.803 -0.151 0.000 0.931 76 Q CB 1.164 29.852 28.738 -0.083 0.000 1.215 76 Q HN 0.707 nan 8.270 nan 0.000 0.437 77 L N 5.477 126.561 121.223 -0.232 0.000 2.332 77 L HA 0.709 5.049 4.340 -0.000 0.000 0.269 77 L C -1.977 174.666 176.870 -0.378 0.000 1.016 77 L CA -2.380 52.230 54.840 -0.384 0.000 0.809 77 L CB 1.652 43.422 42.059 -0.483 0.000 1.280 77 L HN 0.596 nan 8.230 nan 0.000 0.447 78 P HA -0.004 nan 4.420 nan 0.000 0.274 78 P C -1.238 175.878 177.300 -0.308 0.000 1.231 78 P CA -0.294 62.495 63.100 -0.517 0.000 0.790 78 P CB 0.934 32.050 31.700 -0.973 0.000 0.951 79 D N 3.166 123.446 120.400 -0.200 0.000 2.338 79 D HA 0.054 4.694 4.640 -0.000 0.000 0.255 79 D C -1.138 175.027 176.300 -0.225 0.000 1.237 79 D CA -2.244 51.673 54.000 -0.137 0.000 0.883 79 D CB 0.682 41.456 40.800 -0.042 0.000 1.087 79 D HN 0.202 nan 8.370 nan 0.000 0.485 80 P HA -0.146 nan 4.420 nan 0.000 0.221 80 P C 0.685 177.825 177.300 -0.266 0.000 1.145 80 P CA 0.694 63.461 63.100 -0.554 0.000 0.795 80 P CB 0.615 31.643 31.700 -1.121 0.000 0.775 81 N N 1.264 119.846 118.700 -0.197 0.000 2.132 81 N HA -0.058 4.682 4.740 -0.000 0.000 0.187 81 N C 1.210 176.729 175.510 0.014 0.000 1.038 81 N CA 1.043 54.033 53.050 -0.100 0.000 0.846 81 N CB -0.478 37.953 38.487 -0.093 0.000 1.012 81 N HN 0.278 nan 8.380 nan 0.000 0.429 82 K N 0.370 120.791 120.400 0.034 0.000 2.878 82 K HA 0.054 4.374 4.320 -0.000 0.000 0.242 82 K C -0.317 176.366 176.600 0.138 0.000 0.985 82 K CA -0.039 56.289 56.287 0.069 0.000 1.168 82 K CB -0.321 32.213 32.500 0.056 0.000 0.993 82 K HN 0.065 nan 8.250 nan 0.000 0.476 83 F N -0.167 119.740 119.950 -0.071 0.000 2.575 83 F HA 0.538 5.065 4.527 -0.000 0.000 0.330 83 F C 0.258 176.040 175.800 -0.030 0.000 1.056 83 F CA -1.583 56.378 58.000 -0.065 0.000 0.964 83 F CB 1.340 40.269 39.000 -0.119 0.000 1.258 83 F HN -0.075 nan 8.300 nan 0.000 0.484 84 G N 4.883 113.248 108.800 -0.725 0.000 2.457 84 G HA2 0.487 4.447 3.960 -0.000 0.000 0.316 84 G HA3 0.487 4.447 3.960 -0.000 0.000 0.316 84 G C -0.823 173.679 174.900 -0.664 0.000 1.030 84 G CA -0.513 44.228 45.100 -0.598 0.000 1.073 84 G HN 0.634 nan 8.290 nan 0.000 0.430 85 L N 3.645 124.705 121.223 -0.271 0.000 2.456 85 L HA 0.306 4.646 4.340 -0.000 0.000 0.257 85 L C -0.558 176.293 176.870 -0.032 0.000 1.162 85 L CA -1.685 53.102 54.840 -0.089 0.000 0.808 85 L CB 1.459 43.518 42.059 0.000 0.000 1.136 85 L HN 0.379 nan 8.230 nan 0.000 0.466 86 P HA -0.030 nan 4.420 nan 0.000 0.237 86 P C -0.503 176.813 177.300 0.025 0.000 1.178 86 P CA 0.834 63.957 63.100 0.038 0.000 0.766 86 P CB 0.248 31.984 31.700 0.060 0.000 0.876 87 D N -1.410 119.008 120.400 0.030 0.000 2.192 87 D HA 0.049 4.689 4.640 -0.000 0.000 0.200 87 D C -0.656 175.673 176.300 0.047 0.000 1.281 87 D CA -0.159 53.860 54.000 0.032 0.000 0.895 87 D CB -0.255 40.567 40.800 0.035 0.000 1.643 87 D HN -0.359 nan 8.370 nan 0.000 0.510 88 T N 1.414 115.996 114.554 0.047 0.000 3.467 88 T HA 0.236 4.586 4.350 -0.000 0.000 0.232 88 T C 0.926 175.688 174.700 0.104 0.000 0.876 88 T CA 0.461 62.618 62.100 0.096 0.000 0.939 88 T CB -0.275 68.639 68.868 0.077 0.000 1.165 88 T HN 0.353 nan 8.240 nan 0.000 0.615 89 S N -0.231 115.525 115.700 0.093 0.000 3.021 89 S HA 0.230 4.700 4.470 -0.000 0.000 0.252 89 S C 1.194 175.844 174.600 0.082 0.000 0.996 89 S CA -0.547 57.691 58.200 0.063 0.000 1.084 89 S CB -0.140 63.077 63.200 0.029 0.000 1.021 89 S HN 0.326 nan 8.310 nan 0.000 0.566 90 I N 1.021 121.675 120.570 0.140 0.000 2.852 90 I HA 0.229 4.399 4.170 -0.000 0.000 0.264 90 I C 0.918 177.150 176.117 0.191 0.000 1.179 90 I CA 0.486 61.856 61.300 0.116 0.000 1.480 90 I CB -1.179 36.849 38.000 0.047 0.000 1.111 90 I HN 0.700 nan 8.210 nan 0.000 0.441 91 Y N 0.388 120.657 120.300 -0.051 0.000 2.625 91 Y HA 0.588 5.138 4.550 -0.000 0.000 0.338 91 Y C -0.734 175.131 175.900 -0.059 0.000 1.123 91 Y CA -1.658 56.404 58.100 -0.062 0.000 1.046 91 Y CB 1.157 39.562 38.460 -0.092 0.000 1.299 91 Y HN -0.063 nan 8.280 nan 0.000 0.464 92 N N 3.342 121.849 118.700 -0.322 0.000 2.469 92 N HA 0.391 5.131 4.740 -0.000 0.000 0.253 92 N C -2.316 172.838 175.510 -0.593 0.000 0.970 92 N CA -2.652 50.142 53.050 -0.426 0.000 0.940 92 N CB 1.605 39.974 38.487 -0.197 0.000 1.128 92 N HN 0.404 nan 8.380 nan 0.000 0.503 93 P HA -0.080 nan 4.420 nan 0.000 0.242 93 P C -0.002 177.131 177.300 -0.279 0.000 1.198 93 P CA 0.907 63.652 63.100 -0.591 0.000 0.756 93 P CB 0.416 31.842 31.700 -0.458 0.000 0.911 94 E N -0.623 119.437 120.200 -0.233 0.000 2.162 94 E HA -0.016 4.334 4.350 -0.000 0.000 0.193 94 E C 1.830 178.374 176.600 -0.094 0.000 0.953 94 E CA 1.581 57.903 56.400 -0.130 0.000 0.849 94 E CB -0.471 29.166 29.700 -0.104 0.000 0.810 94 E HN 0.371 nan 8.360 nan 0.000 0.470 95 T N -1.261 113.233 114.554 -0.101 0.000 3.015 95 T HA 0.062 4.412 4.350 -0.000 0.000 0.250 95 T C 0.982 175.651 174.700 -0.051 0.000 1.057 95 T CA -0.149 61.916 62.100 -0.058 0.000 1.066 95 T CB 0.220 69.064 68.868 -0.041 0.000 0.959 95 T HN 0.048 nan 8.240 nan 0.000 0.488 96 Q N 0.039 119.791 119.800 -0.080 0.000 2.416 96 Q HA 0.721 5.061 4.340 -0.000 0.000 0.279 96 Q C -0.951 175.019 176.000 -0.050 0.000 1.101 96 Q CA -1.378 54.405 55.803 -0.034 0.000 0.830 96 Q CB 1.961 30.726 28.738 0.045 0.000 1.402 96 Q HN -0.023 nan 8.270 nan 0.000 0.445 97 R N 0.374 120.759 120.500 -0.192 0.000 2.919 97 R HA 0.618 4.958 4.340 -0.000 0.000 0.260 97 R C -0.805 175.247 176.300 -0.414 0.000 1.067 97 R CA -0.966 54.870 56.100 -0.440 0.000 1.003 97 R CB 1.435 31.001 30.300 -1.222 0.000 1.192 97 R HN 0.608 nan 8.270 nan 0.000 0.488 98 L N 1.367 122.275 121.223 -0.525 0.000 2.329 98 L HA 0.591 4.931 4.340 -0.000 0.000 0.279 98 L C -0.591 176.038 176.870 -0.402 0.000 1.014 98 L CA -0.983 53.544 54.840 -0.522 0.000 0.814 98 L CB 1.986 43.637 42.059 -0.680 0.000 1.257 98 L HN 0.180 nan 8.230 nan 0.000 0.424 99 V N 0.559 120.263 119.914 -0.349 0.000 2.876 99 V HA 0.382 4.502 4.120 -0.000 0.000 0.312 99 V C -1.011 174.901 176.094 -0.303 0.000 1.085 99 V CA -0.894 61.268 62.300 -0.229 0.000 0.945 99 V CB 2.097 33.861 31.823 -0.099 0.000 1.017 99 V HN 0.657 nan 8.190 nan 0.000 0.428 100 W N 1.811 123.012 121.300 -0.165 0.000 2.315 100 W HA 0.684 5.344 4.660 -0.000 0.000 0.316 100 W C 0.247 176.692 176.519 -0.125 0.000 1.211 100 W CA -0.310 56.926 57.345 -0.182 0.000 1.201 100 W CB 1.492 30.746 29.460 -0.345 0.000 1.184 100 W HN 0.735 nan 8.180 nan 0.000 0.544 101 A N 3.447 126.448 122.820 0.301 0.000 2.342 101 A HA 0.521 4.841 4.320 -0.000 0.000 0.323 101 A C -1.093 176.674 177.584 0.305 0.000 1.125 101 A CA -0.645 51.486 52.037 0.157 0.000 0.785 101 A CB 0.919 19.954 19.000 0.059 0.000 1.221 101 A HN 0.724 nan 8.150 nan 0.000 0.463 102 C N 2.207 121.620 119.300 0.188 0.000 2.514 102 C HA 0.624 5.084 4.460 -0.000 0.000 0.392 102 C C 1.273 176.271 174.990 0.013 0.000 1.294 102 C CA 0.631 59.727 59.018 0.131 0.000 1.957 102 C CB 0.084 27.864 27.740 0.068 0.000 2.541 102 C HN 1.089 nan 8.230 nan 0.000 0.569 103 A N 3.715 126.527 122.820 -0.014 0.000 2.474 103 A HA 0.650 4.970 4.320 -0.000 0.000 0.221 103 A C 0.562 178.232 177.584 0.144 0.000 1.298 103 A CA 0.597 52.691 52.037 0.095 0.000 1.008 103 A CB -0.016 19.113 19.000 0.215 0.000 1.217 103 A HN 1.363 nan 8.150 nan 0.000 0.553 104 G N -0.872 107.911 108.800 -0.028 0.000 2.720 104 G HA2 0.540 4.500 3.960 -0.000 0.000 0.295 104 G HA3 0.540 4.500 3.960 -0.000 0.000 0.295 104 G C -1.598 173.123 174.900 -0.299 0.000 1.437 104 G CA -0.288 44.804 45.100 -0.013 0.000 0.886 104 G HN 0.479 nan 8.290 nan 0.000 0.509 105 V N 0.030 119.695 119.914 -0.415 0.000 3.040 105 V HA 0.824 4.944 4.120 -0.000 0.000 0.312 105 V C -0.634 175.195 176.094 -0.441 0.000 1.115 105 V CA -0.834 61.174 62.300 -0.487 0.000 0.998 105 V CB 2.215 33.803 31.823 -0.393 0.000 1.042 105 V HN 0.974 nan 8.190 nan 0.000 0.433 106 E N 2.160 122.065 120.200 -0.491 0.000 2.378 106 E HA 0.478 4.828 4.350 -0.000 0.000 0.282 106 E C -1.911 174.530 176.600 -0.266 0.000 0.910 106 E CA -0.562 55.650 56.400 -0.314 0.000 0.816 106 E CB 1.407 30.890 29.700 -0.361 0.000 1.359 106 E HN 0.572 nan 8.360 nan 0.000 0.397 107 I N 3.853 124.392 120.570 -0.052 0.000 2.337 107 I HA 0.344 4.514 4.170 -0.000 0.000 0.291 107 I C 0.742 176.781 176.117 -0.131 0.000 1.046 107 I CA 0.256 61.471 61.300 -0.142 0.000 1.324 107 I CB 1.476 39.415 38.000 -0.102 0.000 1.409 107 I HN 0.577 nan 8.210 nan 0.000 0.494 108 G N 6.767 115.456 108.800 -0.185 0.000 2.356 108 G HA2 0.544 4.504 3.960 -0.000 0.000 0.298 108 G HA3 0.544 4.504 3.960 -0.000 0.000 0.298 108 G C -0.306 174.467 174.900 -0.213 0.000 1.145 108 G CA -0.659 44.350 45.100 -0.152 0.000 0.850 108 G HN 0.344 nan 8.290 nan 0.000 0.487 109 R N 1.416 121.803 120.500 -0.189 0.000 2.514 109 R HA 0.458 4.798 4.340 -0.000 0.000 0.301 109 R C 0.931 177.126 176.300 -0.174 0.000 0.962 109 R CA -0.374 55.561 56.100 -0.275 0.000 0.882 109 R CB 1.876 32.032 30.300 -0.239 0.000 1.143 109 R HN 0.589 nan 8.270 nan 0.000 0.452 110 G N 1.755 110.436 108.800 -0.199 0.000 2.610 110 G HA2 -0.069 3.891 3.960 -0.000 0.000 0.215 110 G HA3 -0.069 3.891 3.960 -0.000 0.000 0.215 110 G C 0.195 175.048 174.900 -0.078 0.000 1.243 110 G CA 0.080 45.111 45.100 -0.115 0.000 0.847 110 G HN 0.334 nan 8.290 nan 0.000 0.560 111 Q N 1.155 120.909 119.800 -0.077 0.000 2.584 111 Q HA 0.224 4.564 4.340 -0.000 0.000 0.218 111 Q C -2.057 173.930 176.000 -0.021 0.000 1.079 111 Q CA -1.251 54.529 55.803 -0.037 0.000 1.008 111 Q CB 0.025 28.747 28.738 -0.025 0.000 1.267 111 Q HN 0.272 nan 8.270 nan 0.000 0.586 112 P HA 0.139 nan 4.420 nan 0.000 0.276 112 P C -0.520 176.790 177.300 0.017 0.000 1.244 112 P CA -0.530 62.573 63.100 0.005 0.000 0.801 112 P CB 0.650 32.355 31.700 0.008 0.000 1.006 113 L N 1.311 122.546 121.223 0.020 0.000 2.485 113 L HA 0.469 4.809 4.340 -0.000 0.000 0.275 113 L C 1.257 178.147 176.870 0.034 0.000 1.207 113 L CA 1.472 56.330 54.840 0.030 0.000 0.855 113 L CB -0.418 41.658 42.059 0.029 0.000 1.114 113 L HN 0.768 nan 8.230 nan 0.000 0.485 114 G N 1.543 110.368 108.800 0.041 0.000 2.608 114 G HA2 0.618 4.578 3.960 -0.000 0.000 0.291 114 G HA3 0.618 4.578 3.960 -0.000 0.000 0.291 114 G C -1.583 173.345 174.900 0.047 0.000 1.425 114 G CA -0.031 45.095 45.100 0.042 0.000 0.787 114 G HN 0.681 nan 8.290 nan 0.000 0.484 115 V N -2.316 117.626 119.914 0.047 0.000 2.960 115 V HA 1.077 5.197 4.120 -0.000 0.000 0.315 115 V C 0.243 176.365 176.094 0.047 0.000 1.087 115 V CA -0.214 62.121 62.300 0.058 0.000 0.982 115 V CB 1.555 33.414 31.823 0.061 0.000 1.039 115 V HN 2.034 nan 8.190 nan 0.000 0.437 116 G N 1.462 110.298 108.800 0.060 0.000 2.673 116 G HA2 0.606 4.566 3.960 -0.000 0.000 0.292 116 G HA3 0.606 4.566 3.960 -0.000 0.000 0.292 116 G C -1.566 173.347 174.900 0.023 0.000 1.450 116 G CA -1.024 44.098 45.100 0.037 0.000 0.837 116 G HN 0.901 nan 8.290 nan 0.000 0.505 117 L N 0.437 121.655 121.223 -0.008 0.000 2.375 117 L HA 0.752 5.092 4.340 -0.000 0.000 0.268 117 L C 0.196 176.988 176.870 -0.130 0.000 1.058 117 L CA -0.796 53.988 54.840 -0.094 0.000 0.803 117 L CB 1.832 43.849 42.059 -0.069 0.000 1.212 117 L HN 0.466 nan 8.230 nan 0.000 0.451 118 S N -0.298 115.181 115.700 -0.369 0.000 2.536 118 S HA 0.842 5.312 4.470 -0.000 0.000 0.287 118 S C -0.143 174.201 174.600 -0.426 0.000 1.101 118 S CA -0.632 57.258 58.200 -0.516 0.000 0.950 118 S CB 2.181 64.935 63.200 -0.743 0.000 1.056 118 S HN 0.891 nan 8.310 nan 0.000 0.481 119 G N 0.701 109.233 108.800 -0.446 0.000 2.866 119 G HA2 0.659 4.619 3.960 -0.000 0.000 0.289 119 G HA3 0.659 4.619 3.960 -0.000 0.000 0.289 119 G C -1.993 172.802 174.900 -0.175 0.000 1.396 119 G CA -0.410 44.543 45.100 -0.245 0.000 0.848 119 G HN 0.632 nan 8.290 nan 0.000 0.515 120 H N -0.321 118.663 119.070 -0.144 0.000 2.856 120 H HA 0.369 4.925 4.556 -0.000 0.000 0.355 120 H C -2.086 173.139 175.328 -0.171 0.000 1.079 120 H CA -1.391 54.593 56.048 -0.107 0.000 1.240 120 H CB 3.081 32.847 29.762 0.007 0.000 1.701 120 H HN 0.115 nan 8.280 nan 0.000 0.527 121 P HA -0.070 nan 4.420 nan 0.000 0.216 121 P C -0.096 176.859 177.300 -0.574 0.000 1.150 121 P CA 1.390 64.147 63.100 -0.572 0.000 0.837 121 P CB 0.096 31.205 31.700 -0.986 0.000 0.786 122 F N -2.985 117.238 119.950 0.456 0.000 2.627 122 F HA 0.270 4.797 4.527 -0.000 0.000 0.329 122 F C 0.291 176.098 175.800 0.012 0.000 1.378 122 F CA -1.264 56.853 58.000 0.195 0.000 1.134 122 F CB -0.384 38.686 39.000 0.116 0.000 1.229 122 F HN -0.191 nan 8.300 nan 0.000 0.537 123 Y N 2.134 122.412 120.300 -0.036 0.000 2.610 123 Y HA 0.013 4.563 4.550 -0.000 0.000 0.332 123 Y C 0.786 176.572 175.900 -0.190 0.000 1.201 123 Y CA -0.245 57.729 58.100 -0.210 0.000 1.465 123 Y CB 0.418 38.759 38.460 -0.198 0.000 1.283 123 Y HN 0.295 nan 8.280 nan 0.000 0.563 124 N N 6.165 124.577 118.700 -0.481 0.000 2.739 124 N HA 0.053 4.793 4.740 -0.000 0.000 0.266 124 N C -1.302 174.062 175.510 -0.244 0.000 1.168 124 N CA -0.061 52.808 53.050 -0.302 0.000 1.055 124 N CB -0.180 38.129 38.487 -0.298 0.000 1.393 124 N HN 0.578 nan 8.380 nan 0.000 0.514 125 K N 4.005 124.341 120.400 -0.107 0.000 2.449 125 K HA 0.135 4.455 4.320 -0.000 0.000 0.257 125 K C 0.555 177.085 176.600 -0.117 0.000 0.989 125 K CA -0.608 55.585 56.287 -0.157 0.000 0.916 125 K CB 0.965 33.194 32.500 -0.451 0.000 1.136 125 K HN 0.321 nan 8.250 nan 0.000 0.439 126 L N 4.003 125.202 121.223 -0.040 0.000 1.973 126 L HA -0.050 4.290 4.340 -0.000 0.000 0.208 126 L C -0.401 176.478 176.870 0.015 0.000 1.073 126 L CA 2.105 56.939 54.840 -0.009 0.000 0.746 126 L CB -0.024 42.042 42.059 0.012 0.000 0.891 126 L HN 0.874 nan 8.230 nan 0.000 0.433 127 D N -3.346 117.109 120.400 0.091 0.000 2.710 127 D HA 0.184 4.824 4.640 -0.000 0.000 0.276 127 D C -1.580 174.925 176.300 0.342 0.000 1.267 127 D CA -0.606 53.486 54.000 0.152 0.000 0.772 127 D CB 0.070 40.944 40.800 0.124 0.000 1.299 127 D HN 0.010 nan 8.370 nan 0.000 0.421 128 D N -0.499 120.121 120.400 0.366 0.000 2.359 128 D HA 0.289 4.929 4.640 -0.000 0.000 0.250 128 D C 0.575 177.049 176.300 0.290 0.000 1.264 128 D CA -0.168 54.086 54.000 0.423 0.000 0.911 128 D CB 0.580 41.578 40.800 0.329 0.000 1.056 128 D HN 0.418 nan 8.370 nan 0.000 0.499 129 T N 0.152 114.904 114.554 0.330 0.000 3.244 129 T HA 0.111 4.461 4.350 -0.000 0.000 0.254 129 T C 1.108 175.958 174.700 0.249 0.000 1.024 129 T CA -0.373 61.898 62.100 0.284 0.000 0.920 129 T CB 0.211 69.305 68.868 0.377 0.000 1.042 129 T HN 0.490 nan 8.240 nan 0.000 0.572 130 E N 1.660 121.973 120.200 0.188 0.000 2.102 130 E HA 0.003 4.353 4.350 -0.000 0.000 0.190 130 E C 0.794 177.434 176.600 0.067 0.000 0.971 130 E CA 0.910 57.371 56.400 0.102 0.000 0.821 130 E CB 0.389 29.963 29.700 -0.210 0.000 0.777 130 E HN 0.617 nan 8.360 nan 0.000 0.460 131 S N -0.172 115.561 115.700 0.056 0.000 3.750 131 S HA -0.012 4.458 4.470 -0.000 0.000 0.117 131 S C -0.354 174.268 174.600 0.038 0.000 0.847 131 S CA -0.080 58.135 58.200 0.025 0.000 0.850 131 S CB -1.092 62.093 63.200 -0.024 0.000 1.149 131 S HN 0.190 nan 8.310 nan 0.000 0.694 132 S N 1.449 117.201 115.700 0.087 0.000 2.642 132 S HA -0.007 4.463 4.470 -0.000 0.000 0.308 132 S C 1.121 175.780 174.600 0.099 0.000 1.255 132 S CA 0.159 58.427 58.200 0.112 0.000 1.057 132 S CB -0.127 63.148 63.200 0.126 0.000 0.785 132 S HN 0.499 nan 8.310 nan 0.000 0.500 133 H N 2.751 121.850 119.070 0.047 0.000 2.400 133 H HA -0.175 4.381 4.556 -0.000 0.000 0.295 133 H C 1.133 176.481 175.328 0.034 0.000 1.118 133 H CA 2.039 58.108 56.048 0.035 0.000 1.256 133 H CB -0.188 29.593 29.762 0.032 0.000 1.365 133 H HN 0.887 nan 8.280 nan 0.000 0.502 134 A N -1.106 121.815 122.820 0.168 0.000 5.139 134 A HA 0.625 4.945 4.320 -0.000 0.000 0.164 134 A C -0.101 177.537 177.584 0.090 0.000 0.803 134 A CA 0.136 52.241 52.037 0.113 0.000 1.038 134 A CB -0.409 18.659 19.000 0.113 0.000 2.123 134 A HN 0.364 nan 8.150 nan 0.000 0.998 135 A N -0.620 122.243 122.820 0.073 0.000 2.245 135 A HA 0.606 4.926 4.320 -0.000 0.000 0.279 135 A C 0.694 178.318 177.584 0.067 0.000 1.290 135 A CA 1.155 53.229 52.037 0.062 0.000 0.819 135 A CB -0.625 18.403 19.000 0.046 0.000 1.173 135 A HN 2.238 nan 8.150 nan 0.000 0.508 136 T N -3.102 111.485 114.554 0.056 0.000 2.816 136 T HA 0.574 4.924 4.350 -0.000 0.000 0.299 136 T C 0.058 174.781 174.700 0.038 0.000 1.230 136 T CA -0.033 62.100 62.100 0.056 0.000 1.007 136 T CB 0.434 69.344 68.868 0.070 0.000 1.289 136 T HN 1.846 nan 8.240 nan 0.000 0.508 137 S N 1.238 116.958 115.700 0.033 0.000 2.527 137 S HA -0.031 4.439 4.470 -0.000 0.000 0.274 137 S C 0.261 174.870 174.600 0.015 0.000 1.349 137 S CA -0.247 57.966 58.200 0.021 0.000 1.011 137 S CB -0.562 62.648 63.200 0.016 0.000 0.837 137 S HN 0.971 nan 8.310 nan 0.000 0.524 138 N N 0.008 118.713 118.700 0.008 0.000 2.470 138 N HA 0.169 4.909 4.740 -0.000 0.000 0.268 138 N C 0.427 175.936 175.510 -0.002 0.000 1.136 138 N CA -0.411 52.641 53.050 0.003 0.000 0.961 138 N CB 0.612 39.099 38.487 0.001 0.000 1.067 138 N HN 0.502 nan 8.380 nan 0.000 0.468 139 V N 2.797 122.708 119.914 -0.006 0.000 3.392 139 V HA -0.163 3.957 4.120 -0.000 0.000 0.273 139 V C 1.907 177.991 176.094 -0.017 0.000 1.228 139 V CA 0.993 63.285 62.300 -0.014 0.000 1.224 139 V CB -2.296 29.517 31.823 -0.017 0.000 0.986 139 V HN 0.780 nan 8.190 nan 0.000 0.494 140 S N 0.333 116.025 115.700 -0.014 0.000 2.426 140 S HA -0.164 4.306 4.470 -0.000 0.000 0.220 140 S C 0.751 175.338 174.600 -0.022 0.000 1.040 140 S CA 1.390 59.581 58.200 -0.016 0.000 1.094 140 S CB 0.081 63.273 63.200 -0.013 0.000 1.072 140 S HN 0.808 nan 8.310 nan 0.000 0.415 141 E N -0.639 119.546 120.200 -0.025 0.000 2.405 141 E HA 0.165 4.515 4.350 -0.000 0.000 0.283 141 E C -2.015 174.563 176.600 -0.035 0.000 1.140 141 E CA -0.413 55.967 56.400 -0.033 0.000 0.904 141 E CB 0.542 30.221 29.700 -0.034 0.000 1.209 141 E HN 0.184 nan 8.360 nan 0.000 0.428 142 D N 1.729 122.100 120.400 -0.047 0.000 3.441 142 D HA -0.118 4.522 4.640 -0.000 0.000 0.205 142 D C -0.381 175.903 176.300 -0.026 0.000 1.131 142 D CA 1.235 55.205 54.000 -0.051 0.000 1.030 142 D CB -0.291 40.467 40.800 -0.069 0.000 0.783 142 D HN 0.232 nan 8.370 nan 0.000 0.389 143 V N 4.382 124.283 119.914 -0.021 0.000 3.017 143 V HA 0.139 4.259 4.120 -0.000 0.000 0.354 143 V C 1.046 177.139 176.094 -0.003 0.000 1.389 143 V CA -0.386 61.908 62.300 -0.009 0.000 1.163 143 V CB 0.078 31.891 31.823 -0.017 0.000 1.178 143 V HN 0.308 nan 8.190 nan 0.000 0.547 144 R N 1.451 121.964 120.500 0.023 0.000 2.438 144 R HA 0.395 4.735 4.340 -0.000 0.000 0.287 144 R C -0.726 175.629 176.300 0.091 0.000 1.077 144 R CA 0.043 56.177 56.100 0.057 0.000 1.034 144 R CB 0.681 31.054 30.300 0.122 0.000 0.993 144 R HN 0.302 nan 8.270 nan 0.000 0.459 145 D N 0.733 121.158 120.400 0.043 0.000 2.374 145 D HA 0.074 4.714 4.640 -0.000 0.000 0.239 145 D C -0.595 175.696 176.300 -0.014 0.000 0.991 145 D CA -0.638 53.361 54.000 -0.002 0.000 0.960 145 D CB 1.236 41.988 40.800 -0.081 0.000 1.284 145 D HN 0.328 nan 8.370 nan 0.000 0.512 146 N N 1.473 120.135 118.700 -0.063 0.000 2.482 146 N HA 0.169 4.909 4.740 -0.000 0.000 0.242 146 N C -0.835 174.600 175.510 -0.125 0.000 1.100 146 N CA -0.159 52.830 53.050 -0.102 0.000 0.946 146 N CB 0.160 38.576 38.487 -0.119 0.000 1.227 146 N HN 0.246 nan 8.380 nan 0.000 0.508 147 V N 1.053 120.868 119.914 -0.165 0.000 2.919 147 V HA 0.853 4.973 4.120 -0.000 0.000 0.316 147 V C 0.083 176.050 176.094 -0.212 0.000 1.077 147 V CA -0.816 61.334 62.300 -0.249 0.000 0.977 147 V CB 1.481 33.005 31.823 -0.497 0.000 1.039 147 V HN 0.589 nan 8.190 nan 0.000 0.441 148 S N 1.760 117.360 115.700 -0.166 0.000 2.671 148 S HA 0.945 5.415 4.470 -0.000 0.000 0.299 148 S C -0.817 173.717 174.600 -0.109 0.000 1.116 148 S CA -0.403 57.709 58.200 -0.147 0.000 0.912 148 S CB 1.785 64.915 63.200 -0.116 0.000 1.130 148 S HN 2.190 nan 8.310 nan 0.000 0.501 149 V N 1.253 121.082 119.914 -0.143 0.000 3.023 149 V HA 0.405 4.525 4.120 -0.000 0.000 0.294 149 V C -2.122 173.852 176.094 -0.200 0.000 1.324 149 V CA -0.731 61.511 62.300 -0.097 0.000 0.979 149 V CB 2.150 33.992 31.823 0.031 0.000 1.093 149 V HN 1.192 nan 8.190 nan 0.000 0.434 150 D N 5.165 125.496 120.400 -0.115 0.000 2.277 150 D HA 0.255 4.895 4.640 -0.000 0.000 0.249 150 D C -0.198 176.080 176.300 -0.038 0.000 1.134 150 D CA -0.062 53.877 54.000 -0.101 0.000 0.863 150 D CB 0.779 41.571 40.800 -0.013 0.000 1.143 150 D HN 0.566 nan 8.370 nan 0.000 0.458 151 Y N 0.495 120.715 120.300 -0.133 0.000 2.258 151 Y HA -0.005 4.545 4.550 -0.000 0.000 0.345 151 Y C 1.688 177.574 175.900 -0.023 0.000 1.303 151 Y CA -0.990 57.000 58.100 -0.183 0.000 1.537 151 Y CB 0.843 38.936 38.460 -0.611 0.000 1.383 151 Y HN 0.304 nan 8.280 nan 0.000 0.606 152 K N 1.945 122.427 120.400 0.136 0.000 2.518 152 K HA -0.126 4.194 4.320 -0.000 0.000 0.276 152 K C -0.488 176.247 176.600 0.225 0.000 0.974 152 K CA -0.162 56.191 56.287 0.110 0.000 0.986 152 K CB 0.414 32.946 32.500 0.052 0.000 0.901 152 K HN 0.683 nan 8.250 nan 0.000 0.497 153 Q N 2.656 122.563 119.800 0.178 0.000 2.257 153 Q HA 0.245 4.585 4.340 -0.000 0.000 0.255 153 Q C -1.399 174.693 176.000 0.154 0.000 0.920 153 Q CA -0.444 55.473 55.803 0.190 0.000 0.927 153 Q CB 1.568 30.392 28.738 0.144 0.000 1.229 153 Q HN 0.693 nan 8.270 nan 0.000 0.433 154 T N 3.727 118.373 114.554 0.153 0.000 2.933 154 T HA 0.371 4.721 4.350 -0.000 0.000 0.305 154 T C -1.291 173.480 174.700 0.119 0.000 1.092 154 T CA -0.715 61.467 62.100 0.137 0.000 1.008 154 T CB 1.728 70.695 68.868 0.164 0.000 1.102 154 T HN 0.604 nan 8.240 nan 0.000 0.469 155 Q N 2.181 122.039 119.800 0.097 0.000 2.275 155 Q HA 0.662 5.002 4.340 -0.000 0.000 0.266 155 Q C -1.324 174.729 176.000 0.087 0.000 1.002 155 Q CA -0.880 54.980 55.803 0.094 0.000 0.761 155 Q CB 2.239 30.921 28.738 -0.092 0.000 1.255 155 Q HN 0.626 nan 8.270 nan 0.000 0.446 156 L N -0.871 120.480 121.223 0.214 0.000 2.479 156 L HA 0.979 5.319 4.340 -0.000 0.000 0.255 156 L C -1.367 175.698 176.870 0.325 0.000 1.026 156 L CA -0.856 54.095 54.840 0.185 0.000 0.842 156 L CB 2.228 44.405 42.059 0.197 0.000 1.444 156 L HN 0.659 nan 8.230 nan 0.000 0.409 157 C N 1.946 121.389 119.300 0.239 0.000 2.871 157 C HA 0.820 5.280 4.460 -0.000 0.000 0.378 157 C C -1.184 173.924 174.990 0.195 0.000 1.052 157 C CA -0.354 58.842 59.018 0.296 0.000 1.250 157 C CB 0.122 28.120 27.740 0.430 0.000 1.689 157 C HN 0.853 nan 8.230 nan 0.000 0.506 158 I N 5.648 126.343 120.570 0.209 0.000 2.608 158 I HA 0.565 4.735 4.170 -0.000 0.000 0.295 158 I C -0.623 175.617 176.117 0.205 0.000 1.049 158 I CA -0.679 60.723 61.300 0.169 0.000 1.063 158 I CB 1.821 39.865 38.000 0.074 0.000 1.248 158 I HN 0.502 nan 8.210 nan 0.000 0.424 159 L N 4.332 125.696 121.223 0.234 0.000 2.362 159 L HA 0.924 5.264 4.340 -0.000 0.000 0.271 159 L C 0.096 176.733 176.870 -0.389 0.000 1.002 159 L CA -0.433 54.493 54.840 0.143 0.000 0.818 159 L CB 2.057 44.385 42.059 0.448 0.000 1.298 159 L HN 0.840 nan 8.230 nan 0.000 0.420 160 G N -0.150 108.333 108.800 -0.528 0.000 2.430 160 G HA2 0.326 4.286 3.960 -0.000 0.000 0.300 160 G HA3 0.326 4.286 3.960 -0.000 0.000 0.300 160 G C -0.790 173.960 174.900 -0.250 0.000 1.330 160 G CA -0.126 44.363 45.100 -1.018 0.000 0.813 160 G HN 0.736 nan 8.290 nan 0.000 0.487 161 C N -0.936 118.321 119.300 -0.071 0.000 2.638 161 C HA 0.853 5.313 4.460 -0.000 0.000 0.282 161 C C 0.627 175.776 174.990 0.264 0.000 1.473 161 C CA -0.058 59.115 59.018 0.259 0.000 1.781 161 C CB -1.432 26.526 27.740 0.363 0.000 2.780 161 C HN 1.868 nan 8.230 nan 0.000 0.531 162 A N 1.059 123.883 122.820 0.005 0.000 2.594 162 A HA 0.861 5.181 4.320 -0.000 0.000 0.296 162 A C -3.118 173.870 177.584 -0.994 0.000 1.061 162 A CA -0.863 50.908 52.037 -0.442 0.000 0.689 162 A CB 0.831 19.732 19.000 -0.165 0.000 1.280 162 A HN 0.156 nan 8.150 nan 0.000 0.406 163 P HA 0.395 nan 4.420 nan 0.000 0.269 163 P C 0.177 177.139 177.300 -0.563 0.000 1.215 163 P CA 0.332 62.705 63.100 -1.212 0.000 0.780 163 P CB 0.827 31.853 31.700 -1.123 0.000 0.898 164 A N 2.237 124.836 122.820 -0.368 0.000 2.313 164 A HA 0.446 4.766 4.320 -0.000 0.000 0.261 164 A C 0.086 177.527 177.584 -0.239 0.000 1.090 164 A CA -0.221 51.660 52.037 -0.260 0.000 0.807 164 A CB -0.302 18.571 19.000 -0.211 0.000 1.055 164 A HN 0.448 nan 8.150 nan 0.000 0.492 165 I N -0.070 120.368 120.570 -0.220 0.000 2.460 165 I HA 0.572 4.742 4.170 -0.000 0.000 0.298 165 I C 0.869 176.852 176.117 -0.224 0.000 0.989 165 I CA 0.483 61.665 61.300 -0.196 0.000 1.173 165 I CB 1.938 39.847 38.000 -0.152 0.000 1.338 165 I HN 0.740 nan 8.210 nan 0.000 0.456 166 G N 3.659 112.343 108.800 -0.193 0.000 2.735 166 G HA2 0.777 4.737 3.960 -0.000 0.000 0.301 166 G HA3 0.777 4.737 3.960 -0.000 0.000 0.301 166 G C -1.355 173.493 174.900 -0.087 0.000 1.279 166 G CA -0.455 44.542 45.100 -0.170 0.000 1.019 166 G HN 0.610 nan 8.290 nan 0.000 0.497 167 E N -1.146 119.039 120.200 -0.026 0.000 2.369 167 E HA 0.663 5.013 4.350 -0.000 0.000 0.270 167 E C -1.326 175.303 176.600 0.048 0.000 0.909 167 E CA -0.988 55.379 56.400 -0.057 0.000 0.775 167 E CB 2.458 32.090 29.700 -0.114 0.000 1.270 167 E HN 0.792 nan 8.360 nan 0.000 0.445 168 H N -0.441 118.494 119.070 -0.225 0.000 2.987 168 H HA 0.229 4.785 4.556 -0.000 0.000 0.316 168 H C -1.968 173.129 175.328 -0.384 0.000 1.380 168 H CA -1.162 54.769 56.048 -0.194 0.000 1.160 168 H CB 0.164 29.899 29.762 -0.045 0.000 1.865 168 H HN 0.651 nan 8.280 nan 0.000 0.521 169 W N 1.336 122.607 121.300 -0.049 0.000 2.338 169 W HA 0.682 5.342 4.660 -0.000 0.000 0.307 169 W C 0.032 176.514 176.519 -0.062 0.000 1.167 169 W CA 0.001 57.278 57.345 -0.113 0.000 1.208 169 W CB 1.599 31.019 29.460 -0.067 0.000 1.228 169 W HN 0.816 nan 8.180 nan 0.000 0.499 170 A N 3.061 125.916 122.820 0.058 0.000 2.435 170 A HA 0.609 4.929 4.320 -0.000 0.000 0.296 170 A C -0.961 176.672 177.584 0.082 0.000 1.147 170 A CA -1.149 50.939 52.037 0.086 0.000 0.775 170 A CB 1.403 20.432 19.000 0.049 0.000 1.340 170 A HN 0.538 nan 8.150 nan 0.000 0.427 171 K N 1.206 121.645 120.400 0.066 0.000 2.378 171 K HA 0.327 4.647 4.320 -0.000 0.000 0.288 171 K C 0.626 177.248 176.600 0.037 0.000 1.057 171 K CA 0.234 56.551 56.287 0.050 0.000 0.971 171 K CB -0.011 32.512 32.500 0.038 0.000 0.975 171 K HN 0.899 nan 8.250 nan 0.000 0.475 172 G N 3.135 111.959 108.800 0.041 0.000 2.568 172 G HA2 -0.065 3.895 3.960 -0.000 0.000 0.231 172 G HA3 -0.065 3.895 3.960 -0.000 0.000 0.231 172 G C -0.409 174.502 174.900 0.018 0.000 1.261 172 G CA -0.375 44.742 45.100 0.028 0.000 0.855 172 G HN 0.683 nan 8.290 nan 0.000 0.576 173 T N 0.826 115.387 114.554 0.010 0.000 2.884 173 T HA 0.450 4.800 4.350 -0.000 0.000 0.298 173 T C 0.744 175.448 174.700 0.007 0.000 0.998 173 T CA 0.255 62.359 62.100 0.007 0.000 1.124 173 T CB 1.398 70.268 68.868 0.002 0.000 0.931 173 T HN 0.853 nan 8.240 nan 0.000 0.531 174 A N 3.768 126.592 122.820 0.007 0.000 2.444 174 A HA 0.409 4.729 4.320 -0.000 0.000 0.287 174 A C 1.012 178.598 177.584 0.004 0.000 1.195 174 A CA -0.777 51.263 52.037 0.005 0.000 0.858 174 A CB -0.518 18.484 19.000 0.004 0.000 1.117 174 A HN 0.949 nan 8.150 nan 0.000 0.521 175 S N 3.164 118.866 115.700 0.004 0.000 2.714 175 S HA -0.009 4.461 4.470 -0.000 0.000 0.318 175 S C 1.163 175.764 174.600 0.002 0.000 1.219 175 S CA 0.253 58.455 58.200 0.003 0.000 1.175 175 S CB 0.041 63.243 63.200 0.003 0.000 0.961 175 S HN 0.828 nan 8.310 nan 0.000 0.518 176 K N 3.483 123.884 120.400 0.001 0.000 2.097 176 K HA -0.315 4.005 4.320 -0.000 0.000 0.214 176 K C 2.155 178.755 176.600 0.000 0.000 1.052 176 K CA 2.114 58.401 56.287 0.000 0.000 0.932 176 K CB -1.366 31.134 32.500 -0.000 0.000 0.716 176 K HN 0.790 nan 8.250 nan 0.000 0.455 177 S N 0.323 116.023 115.700 0.000 0.000 2.387 177 S HA -0.160 4.310 4.470 -0.000 0.000 0.230 177 S C 1.362 175.962 174.600 0.000 0.000 1.035 177 S CA 0.824 59.025 58.200 0.000 0.000 1.014 177 S CB -0.148 63.052 63.200 0.001 0.000 0.836 177 S HN 0.280 nan 8.310 nan 0.000 0.466 178 R N 2.295 122.796 120.500 0.001 0.000 2.585 178 R HA 0.451 4.791 4.340 -0.000 0.000 0.278 178 R C -2.881 173.419 176.300 0.001 0.000 1.663 178 R CA -2.395 53.706 56.100 0.001 0.000 1.592 178 R CB 0.766 31.067 30.300 0.001 0.000 1.200 178 R HN 0.398 nan 8.270 nan 0.000 0.611 179 P HA 0.021 nan 4.420 nan 0.000 0.272 179 P C -0.602 176.698 177.300 0.000 0.000 1.248 179 P CA -0.523 62.577 63.100 0.000 0.000 0.799 179 P CB 1.026 32.725 31.700 -0.000 0.000 0.997 180 L N 0.811 122.034 121.223 0.000 0.000 2.372 180 L HA 0.275 4.615 4.340 -0.000 0.000 0.273 180 L C 0.069 176.939 176.870 -0.001 0.000 0.989 180 L CA -0.355 54.485 54.840 -0.000 0.000 0.841 180 L CB 0.978 43.038 42.059 0.001 0.000 1.225 180 L HN 0.466 nan 8.230 nan 0.000 0.414 181 S N 2.749 118.448 115.700 -0.002 0.000 2.560 181 S HA 0.256 4.726 4.470 -0.000 0.000 0.284 181 S C 0.112 174.710 174.600 -0.004 0.000 1.327 181 S CA -0.431 57.767 58.200 -0.003 0.000 1.055 181 S CB 0.679 63.877 63.200 -0.004 0.000 0.868 181 S HN 0.676 nan 8.310 nan 0.000 0.506 182 Q N 1.455 121.252 119.800 -0.005 0.000 2.330 182 Q HA 0.421 4.761 4.340 -0.000 0.000 0.279 182 Q C 1.389 177.384 176.000 -0.008 0.000 1.024 182 Q CA 1.623 57.422 55.803 -0.006 0.000 0.900 182 Q CB 0.022 28.756 28.738 -0.006 0.000 1.221 182 Q HN 1.425 nan 8.270 nan 0.000 0.396 183 G N 3.072 111.867 108.800 -0.008 0.000 2.258 183 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.233 183 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.233 183 G C -0.123 174.770 174.900 -0.011 0.000 1.006 183 G CA 0.091 45.185 45.100 -0.011 0.000 0.620 183 G HN 0.656 nan 8.290 nan 0.000 0.511 184 D N -0.164 120.231 120.400 -0.009 0.000 2.371 184 D HA 0.476 5.116 4.640 -0.000 0.000 0.242 184 D C 0.711 177.005 176.300 -0.009 0.000 1.218 184 D CA 0.246 54.241 54.000 -0.009 0.000 0.945 184 D CB 0.992 41.788 40.800 -0.007 0.000 1.137 184 D HN 0.418 nan 8.370 nan 0.000 0.464 185 C N 2.651 121.944 119.300 -0.011 0.000 2.415 185 C HA 0.474 4.934 4.460 -0.000 0.000 0.369 185 C C -1.991 172.993 174.990 -0.009 0.000 1.279 185 C CA -1.393 57.617 59.018 -0.013 0.000 1.886 185 C CB -0.558 27.171 27.740 -0.020 0.000 2.468 185 C HN 0.450 nan 8.230 nan 0.000 0.553 186 P HA 0.383 nan 4.420 nan 0.000 0.274 186 P C -2.801 174.502 177.300 0.004 0.000 1.246 186 P CA -0.951 62.150 63.100 0.002 0.000 0.795 186 P CB 0.241 31.946 31.700 0.008 0.000 1.006 187 P HA 0.253 nan 4.420 nan 0.000 0.288 187 P C -0.635 176.695 177.300 0.050 0.000 1.267 187 P CA -0.361 62.752 63.100 0.020 0.000 0.815 187 P CB 0.810 32.523 31.700 0.022 0.000 0.989 188 L N 1.924 123.188 121.223 0.068 0.000 2.375 188 L HA 0.459 4.799 4.340 -0.000 0.000 0.271 188 L C 0.811 177.847 176.870 0.277 0.000 1.107 188 L CA 0.051 54.995 54.840 0.174 0.000 0.806 188 L CB 0.097 42.243 42.059 0.144 0.000 1.146 188 L HN 0.594 nan 8.230 nan 0.000 0.447 189 E N 1.598 121.959 120.200 0.269 0.000 2.293 189 E HA 0.363 4.713 4.350 -0.000 0.000 0.270 189 E C -1.623 174.908 176.600 -0.115 0.000 0.879 189 E CA -0.899 55.571 56.400 0.118 0.000 0.756 189 E CB 2.590 32.298 29.700 0.013 0.000 1.208 189 E HN 0.359 nan 8.360 nan 0.000 0.428 190 L N 3.987 124.942 121.223 -0.447 0.000 2.281 190 L HA 0.360 4.700 4.340 -0.000 0.000 0.285 190 L C -0.792 175.754 176.870 -0.540 0.000 1.074 190 L CA 0.227 54.525 54.840 -0.903 0.000 0.817 190 L CB 0.503 41.988 42.059 -0.958 0.000 1.168 190 L HN 0.414 nan 8.230 nan 0.000 0.434 191 K N 4.163 124.195 120.400 -0.615 0.000 2.274 191 K HA 0.384 4.704 4.320 -0.000 0.000 0.262 191 K C -0.786 175.616 176.600 -0.331 0.000 0.961 191 K CA -0.879 55.146 56.287 -0.436 0.000 0.833 191 K CB 1.212 33.419 32.500 -0.488 0.000 1.102 191 K HN 0.581 nan 8.250 nan 0.000 0.436 192 N N 1.188 119.771 118.700 -0.194 0.000 2.524 192 N HA 0.258 4.998 4.740 -0.000 0.000 0.283 192 N C -0.427 175.040 175.510 -0.073 0.000 1.142 192 N CA 0.193 53.167 53.050 -0.127 0.000 0.984 192 N CB 1.761 40.182 38.487 -0.109 0.000 1.155 192 N HN 0.565 nan 8.380 nan 0.000 0.467 193 T N -0.999 113.524 114.554 -0.051 0.000 2.942 193 T HA 0.288 4.638 4.350 -0.000 0.000 0.327 193 T C -1.109 173.545 174.700 -0.077 0.000 1.360 193 T CA -0.668 61.412 62.100 -0.033 0.000 1.055 193 T CB 0.531 69.419 68.868 0.032 0.000 1.261 193 T HN 0.035 nan 8.240 nan 0.000 0.485 194 V N 4.668 124.536 119.914 -0.077 0.000 2.637 194 V HA 0.290 4.410 4.120 -0.000 0.000 0.296 194 V C 0.535 176.547 176.094 -0.138 0.000 1.046 194 V CA -0.273 61.962 62.300 -0.109 0.000 1.066 194 V CB 0.580 32.358 31.823 -0.074 0.000 0.968 194 V HN 0.739 nan 8.190 nan 0.000 0.483 195 L N 5.947 127.056 121.223 -0.189 0.000 2.325 195 L HA 0.334 4.674 4.340 -0.000 0.000 0.284 195 L C 0.488 177.293 176.870 -0.107 0.000 1.089 195 L CA 0.277 54.956 54.840 -0.268 0.000 0.836 195 L CB 0.122 41.901 42.059 -0.465 0.000 1.184 195 L HN 0.707 nan 8.230 nan 0.000 0.444 196 E N 1.439 121.579 120.200 -0.100 0.000 2.222 196 E HA 0.208 4.558 4.350 -0.000 0.000 0.267 196 E C -1.011 175.601 176.600 0.021 0.000 0.963 196 E CA -0.989 55.386 56.400 -0.042 0.000 0.837 196 E CB 1.474 31.059 29.700 -0.191 0.000 1.183 196 E HN 0.403 nan 8.360 nan 0.000 0.403 197 D N -0.203 120.244 120.400 0.077 0.000 2.401 197 D HA 0.236 4.876 4.640 -0.000 0.000 0.254 197 D C 0.685 177.021 176.300 0.059 0.000 1.192 197 D CA 1.515 55.566 54.000 0.085 0.000 0.885 197 D CB 0.175 41.031 40.800 0.092 0.000 1.147 197 D HN 0.593 nan 8.370 nan 0.000 0.478 198 G N 3.529 112.395 108.800 0.110 0.000 2.380 198 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.197 198 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.197 198 G C -0.033 174.956 174.900 0.148 0.000 1.001 198 G CA -0.219 44.946 45.100 0.108 0.000 0.668 198 G HN 0.590 nan 8.290 nan 0.000 0.483 199 D N 1.818 122.317 120.400 0.166 0.000 2.382 199 D HA 0.434 5.074 4.640 -0.000 0.000 0.240 199 D C 1.024 177.541 176.300 0.361 0.000 1.146 199 D CA 0.205 54.317 54.000 0.187 0.000 0.897 199 D CB 0.547 41.383 40.800 0.060 0.000 1.197 199 D HN 0.028 nan 8.370 nan 0.000 0.432 200 M N 1.031 120.806 119.600 0.292 0.000 2.250 200 M HA 0.161 4.641 4.480 -0.000 0.000 0.344 200 M C 0.214 176.752 176.300 0.397 0.000 1.150 200 M CA -0.804 54.680 55.300 0.305 0.000 1.147 200 M CB 0.972 33.707 32.600 0.226 0.000 1.498 200 M HN 0.152 nan 8.290 nan 0.000 0.461 201 V N -0.626 119.425 119.914 0.230 0.000 3.170 201 V HA 0.399 4.519 4.120 -0.000 0.000 0.309 201 V C 0.001 176.221 176.094 0.210 0.000 1.071 201 V CA -1.179 61.232 62.300 0.184 0.000 1.063 201 V CB 0.828 32.614 31.823 -0.062 0.000 1.123 201 V HN 0.833 nan 8.190 nan 0.000 0.464 202 D N 1.574 122.117 120.400 0.238 0.000 2.412 202 D HA 0.100 4.740 4.640 -0.000 0.000 0.257 202 D C 1.221 177.556 176.300 0.059 0.000 1.217 202 D CA 0.820 54.920 54.000 0.166 0.000 0.897 202 D CB 1.107 41.984 40.800 0.128 0.000 1.132 202 D HN 0.967 nan 8.370 nan 0.000 0.493 203 T N 0.771 115.277 114.554 -0.080 0.000 3.086 203 T HA 0.358 4.708 4.350 -0.000 0.000 0.250 203 T C 1.349 175.922 174.700 -0.213 0.000 1.074 203 T CA 0.184 62.077 62.100 -0.344 0.000 0.988 203 T CB 0.160 68.241 68.868 -1.313 0.000 0.988 203 T HN 0.685 nan 8.240 nan 0.000 0.530 204 G N 0.382 109.136 108.800 -0.076 0.000 2.205 204 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.180 204 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.180 204 G C 0.143 174.916 174.900 -0.212 0.000 1.004 204 G CA -0.182 44.837 45.100 -0.135 0.000 0.670 204 G HN 0.514 nan 8.290 nan 0.000 0.496 205 Y N 1.193 121.524 120.300 0.051 0.000 2.555 205 Y HA 0.472 5.022 4.550 -0.000 0.000 0.259 205 Y C 1.543 177.586 175.900 0.237 0.000 1.179 205 Y CA 0.717 58.916 58.100 0.164 0.000 1.230 205 Y CB 0.982 39.556 38.460 0.190 0.000 1.146 205 Y HN 1.045 nan 8.280 nan 0.000 0.526 206 G N 0.696 109.651 108.800 0.258 0.000 2.663 206 G HA2 0.108 4.068 3.960 -0.000 0.000 0.686 206 G HA3 0.108 4.068 3.960 -0.000 0.000 0.686 206 G C -0.810 174.219 174.900 0.215 0.000 1.288 206 G CA -0.708 44.497 45.100 0.176 0.000 0.836 206 G HN 0.494 nan 8.290 nan 0.000 0.584 207 A N 1.048 123.984 122.820 0.194 0.000 2.478 207 A HA 0.807 5.127 4.320 -0.000 0.000 0.327 207 A C 0.548 178.265 177.584 0.223 0.000 1.431 207 A CA 0.868 53.042 52.037 0.230 0.000 1.014 207 A CB -0.500 18.661 19.000 0.267 0.000 1.143 207 A HN 1.936 nan 8.150 nan 0.000 0.532 208 M N 0.022 119.609 119.600 -0.021 0.000 3.223 208 M HA 0.646 5.126 4.480 -0.000 0.000 0.282 208 M C -1.608 174.557 176.300 -0.224 0.000 1.346 208 M CA -0.887 54.356 55.300 -0.094 0.000 0.789 208 M CB 1.366 33.770 32.600 -0.326 0.000 1.724 208 M HN 0.235 nan 8.290 nan 0.000 0.447 209 D N 0.324 120.649 120.400 -0.125 0.000 2.460 209 D HA 0.408 5.048 4.640 -0.000 0.000 0.232 209 D C -0.681 175.576 176.300 -0.071 0.000 1.079 209 D CA -0.388 53.590 54.000 -0.038 0.000 0.864 209 D CB 0.488 41.351 40.800 0.105 0.000 1.048 209 D HN 0.570 nan 8.370 nan 0.000 0.523 210 F N 1.301 121.282 119.950 0.052 0.000 2.615 210 F HA -0.065 4.461 4.527 -0.000 0.000 0.297 210 F C 2.608 178.419 175.800 0.019 0.000 1.124 210 F CA 0.481 58.498 58.000 0.029 0.000 1.451 210 F CB 0.179 39.182 39.000 0.005 0.000 1.103 210 F HN 0.358 nan 8.300 nan 0.000 0.569 211 S N -1.181 114.643 115.700 0.206 0.000 2.428 211 S HA -0.137 4.333 4.470 -0.000 0.000 0.230 211 S C 1.860 176.511 174.600 0.084 0.000 1.014 211 S CA 1.346 59.620 58.200 0.124 0.000 0.957 211 S CB -0.936 62.323 63.200 0.099 0.000 0.784 211 S HN 0.420 nan 8.310 nan 0.000 0.499 212 T N -2.184 112.415 114.554 0.075 0.000 3.001 212 T HA 0.380 4.730 4.350 -0.000 0.000 0.251 212 T C 1.141 175.865 174.700 0.041 0.000 1.040 212 T CA -0.199 61.933 62.100 0.052 0.000 0.985 212 T CB -0.017 68.884 68.868 0.054 0.000 1.011 212 T HN 0.209 nan 8.240 nan 0.000 0.509 213 L N 0.484 121.731 121.223 0.040 0.000 2.638 213 L HA 0.504 4.844 4.340 -0.000 0.000 0.232 213 L C 0.464 177.351 176.870 0.029 0.000 1.099 213 L CA 0.593 55.445 54.840 0.020 0.000 0.883 213 L CB 0.128 42.176 42.059 -0.018 0.000 1.136 213 L HN 0.326 nan 8.230 nan 0.000 0.492 214 Q N -0.531 119.304 119.800 0.058 0.000 2.464 214 Q HA 0.150 4.490 4.340 -0.000 0.000 0.256 214 Q C -0.134 175.881 176.000 0.026 0.000 1.020 214 Q CA -0.289 55.542 55.803 0.047 0.000 0.716 214 Q CB 1.363 30.157 28.738 0.093 0.000 1.230 214 Q HN 0.024 nan 8.270 nan 0.000 0.494 215 D N 0.366 120.770 120.400 0.006 0.000 2.218 215 D HA -0.140 4.500 4.640 -0.000 0.000 0.204 215 D C 1.368 177.660 176.300 -0.014 0.000 0.976 215 D CA 1.416 55.416 54.000 -0.001 0.000 0.853 215 D CB 0.274 41.070 40.800 -0.008 0.000 0.939 215 D HN 0.432 nan 8.370 nan 0.000 0.481 216 T N 0.510 115.044 114.554 -0.033 0.000 2.635 216 T HA -0.221 4.129 4.350 -0.000 0.000 0.267 216 T C 0.994 175.662 174.700 -0.053 0.000 1.040 216 T CA 1.835 63.900 62.100 -0.058 0.000 1.156 216 T CB -0.151 68.659 68.868 -0.097 0.000 0.863 216 T HN 0.239 nan 8.240 nan 0.000 0.430 217 K N -1.566 118.804 120.400 -0.051 0.000 3.399 217 K HA -0.127 4.193 4.320 -0.000 0.000 0.298 217 K C -0.236 176.289 176.600 -0.124 0.000 1.326 217 K CA 0.450 56.726 56.287 -0.019 0.000 0.874 217 K CB -2.270 30.259 32.500 0.047 0.000 1.403 217 K HN 0.447 nan 8.250 nan 0.000 0.492 218 C N 0.359 119.486 119.300 -0.288 0.000 3.463 218 C HA 0.155 4.615 4.460 -0.000 0.000 0.283 218 C C 1.195 175.827 174.990 -0.596 0.000 2.452 218 C CA -0.731 57.908 59.018 -0.632 0.000 1.624 218 C CB 0.040 27.531 27.740 -0.415 0.000 3.368 218 C HN 0.305 nan 8.230 nan 0.000 0.407 219 E N 1.134 121.061 120.200 -0.455 0.000 2.452 219 E HA 0.147 4.497 4.350 -0.000 0.000 0.197 219 E C 0.665 176.884 176.600 -0.635 0.000 1.022 219 E CA 0.748 56.845 56.400 -0.506 0.000 0.890 219 E CB 0.815 30.372 29.700 -0.237 0.000 0.918 219 E HN 0.631 nan 8.360 nan 0.000 0.496 220 V N -2.491 117.099 119.914 -0.540 0.000 3.159 220 V HA 0.545 4.665 4.120 -0.000 0.000 0.308 220 V C -3.003 172.972 176.094 -0.198 0.000 1.190 220 V CA -3.021 58.951 62.300 -0.545 0.000 1.037 220 V CB 1.766 33.035 31.823 -0.922 0.000 1.060 220 V HN -0.286 nan 8.190 nan 0.000 0.437 221 P HA 0.150 nan 4.420 nan 0.000 0.270 221 P C 0.724 178.037 177.300 0.022 0.000 1.221 221 P CA -0.113 63.014 63.100 0.046 0.000 0.788 221 P CB 0.374 32.085 31.700 0.019 0.000 0.904 222 L N 2.004 123.217 121.223 -0.017 0.000 2.081 222 L HA -0.207 4.133 4.340 -0.000 0.000 0.212 222 L C 1.693 178.596 176.870 0.055 0.000 1.080 222 L CA 2.116 56.951 54.840 -0.008 0.000 0.754 222 L CB -1.544 40.460 42.059 -0.092 0.000 0.893 222 L HN 0.482 nan 8.230 nan 0.000 0.433 223 D N -1.120 119.295 120.400 0.026 0.000 2.348 223 D HA -0.153 4.487 4.640 -0.000 0.000 0.216 223 D C 1.562 177.922 176.300 0.100 0.000 0.970 223 D CA 1.164 55.245 54.000 0.134 0.000 0.889 223 D CB -0.331 40.598 40.800 0.215 0.000 0.912 223 D HN 0.597 nan 8.370 nan 0.000 0.524 224 I N -3.680 116.885 120.570 -0.009 0.000 4.338 224 I HA 0.278 4.448 4.170 -0.000 0.000 0.329 224 I C 1.923 177.928 176.117 -0.187 0.000 1.378 224 I CA -0.704 60.538 61.300 -0.097 0.000 1.170 224 I CB 0.035 37.874 38.000 -0.269 0.000 1.206 224 I HN 0.008 nan 8.210 nan 0.000 0.432 225 C N 1.794 121.015 119.300 -0.131 0.000 2.375 225 C HA -0.183 4.277 4.460 -0.000 0.000 0.274 225 C C 1.985 176.990 174.990 0.025 0.000 1.190 225 C CA 1.677 60.642 59.018 -0.089 0.000 1.775 225 C CB -0.720 27.051 27.740 0.051 0.000 2.067 225 C HN 0.666 nan 8.230 nan 0.000 0.463 226 Q N 0.798 120.640 119.800 0.070 0.000 2.182 226 Q HA 0.376 4.716 4.340 -0.000 0.000 0.305 226 Q C -0.121 175.947 176.000 0.114 0.000 0.880 226 Q CA 0.098 55.960 55.803 0.099 0.000 1.131 226 Q CB 1.054 29.838 28.738 0.077 0.000 1.237 226 Q HN 0.711 nan 8.270 nan 0.000 0.447 227 S N -0.441 115.348 115.700 0.149 0.000 2.810 227 S HA 0.654 5.124 4.470 -0.000 0.000 0.315 227 S C 0.003 174.726 174.600 0.205 0.000 1.138 227 S CA -0.635 57.654 58.200 0.148 0.000 0.889 227 S CB 1.579 64.859 63.200 0.133 0.000 1.236 227 S HN 0.180 nan 8.310 nan 0.000 0.548 228 I N 1.042 121.680 120.570 0.113 0.000 2.378 228 I HA 0.353 4.523 4.170 -0.000 0.000 0.291 228 I C -0.900 175.280 176.117 0.105 0.000 0.992 228 I CA -0.476 60.846 61.300 0.036 0.000 1.154 228 I CB 1.192 39.052 38.000 -0.233 0.000 1.315 228 I HN 0.445 nan 8.210 nan 0.000 0.448 229 C N 6.065 125.488 119.300 0.205 0.000 2.307 229 C HA 0.430 4.890 4.460 -0.000 0.000 0.340 229 C C 0.367 175.483 174.990 0.209 0.000 1.275 229 C CA -0.718 58.456 59.018 0.260 0.000 1.811 229 C CB 0.127 28.101 27.740 0.391 0.000 2.372 229 C HN 0.696 nan 8.230 nan 0.000 0.531 230 K N 1.751 122.312 120.400 0.268 0.000 2.281 230 K HA 0.584 4.904 4.320 -0.000 0.000 0.242 230 K C -1.357 175.508 176.600 0.442 0.000 0.971 230 K CA -0.579 55.859 56.287 0.252 0.000 0.834 230 K CB 1.993 34.528 32.500 0.059 0.000 1.181 230 K HN 0.628 nan 8.250 nan 0.000 0.435 231 Y N 1.443 121.854 120.300 0.186 0.000 2.425 231 Y HA 0.333 4.883 4.550 -0.000 0.000 0.344 231 Y C -2.690 173.241 175.900 0.051 0.000 0.969 231 Y CA -2.588 55.635 58.100 0.205 0.000 1.052 231 Y CB 1.756 40.327 38.460 0.185 0.000 1.215 231 Y HN 0.398 nan 8.280 nan 0.000 0.451 232 P HA -0.037 nan 4.420 nan 0.000 0.262 232 P C -0.846 176.024 177.300 -0.717 0.000 1.182 232 P CA 0.477 63.147 63.100 -0.716 0.000 0.761 232 P CB 0.465 31.436 31.700 -1.215 0.000 0.795 233 D N 2.790 122.932 120.400 -0.431 0.000 2.558 233 D HA 0.046 4.686 4.640 -0.000 0.000 0.221 233 D C 0.413 176.591 176.300 -0.202 0.000 1.143 233 D CA -0.130 53.739 54.000 -0.219 0.000 1.010 233 D CB -0.360 40.362 40.800 -0.131 0.000 1.068 233 D HN 0.309 nan 8.370 nan 0.000 0.511 234 Y N 1.207 121.457 120.300 -0.083 0.000 2.293 234 Y HA -0.117 4.433 4.550 -0.000 0.000 0.291 234 Y C 2.194 178.078 175.900 -0.026 0.000 1.137 234 Y CA 0.627 58.688 58.100 -0.064 0.000 1.202 234 Y CB -0.014 38.406 38.460 -0.066 0.000 0.990 234 Y HN 0.307 nan 8.280 nan 0.000 0.537 235 L N -0.285 121.025 121.223 0.145 0.000 2.027 235 L HA -0.246 4.094 4.340 -0.000 0.000 0.206 235 L C 2.638 179.536 176.870 0.047 0.000 1.074 235 L CA 1.740 56.634 54.840 0.090 0.000 0.745 235 L CB -0.604 41.502 42.059 0.078 0.000 0.898 235 L HN 0.226 nan 8.230 nan 0.000 0.433 236 Q N 0.177 119.988 119.800 0.017 0.000 2.170 236 Q HA -0.208 4.132 4.340 -0.000 0.000 0.203 236 Q C 2.073 178.070 176.000 -0.006 0.000 0.976 236 Q CA 1.817 57.617 55.803 -0.006 0.000 0.858 236 Q CB -0.221 28.496 28.738 -0.034 0.000 0.907 236 Q HN 0.428 nan 8.270 nan 0.000 0.433 237 M N -0.414 119.179 119.600 -0.012 0.000 2.288 237 M HA -0.032 4.448 4.480 -0.000 0.000 0.266 237 M C 2.051 178.366 176.300 0.026 0.000 1.072 237 M CA 1.176 56.471 55.300 -0.008 0.000 1.132 237 M CB 0.072 32.649 32.600 -0.038 0.000 1.386 237 M HN 0.203 nan 8.290 nan 0.000 0.432 238 S N 0.753 116.477 115.700 0.041 0.000 2.402 238 S HA -0.043 4.427 4.470 -0.000 0.000 0.229 238 S C 1.993 176.609 174.600 0.027 0.000 1.021 238 S CA 1.272 59.496 58.200 0.040 0.000 0.974 238 S CB -0.189 63.037 63.200 0.044 0.000 0.800 238 S HN 0.549 nan 8.310 nan 0.000 0.484 239 A N 1.152 123.987 122.820 0.025 0.000 1.970 239 A HA 0.072 4.392 4.320 -0.000 0.000 0.216 239 A C 0.851 178.450 177.584 0.024 0.000 1.170 239 A CA 0.244 52.294 52.037 0.020 0.000 0.645 239 A CB -0.477 18.534 19.000 0.018 0.000 0.816 239 A HN 0.460 nan 8.150 nan 0.000 0.447 240 D N 0.483 120.903 120.400 0.034 0.000 2.586 240 D HA 0.019 4.659 4.640 -0.000 0.000 0.234 240 D C -0.868 175.471 176.300 0.065 0.000 1.132 240 D CA -0.572 53.460 54.000 0.054 0.000 0.860 240 D CB 0.876 41.719 40.800 0.072 0.000 1.159 240 D HN 0.154 nan 8.370 nan 0.000 0.490 241 P HA -0.170 nan 4.420 nan 0.000 0.217 241 P C 0.774 178.090 177.300 0.027 0.000 1.151 241 P CA 1.354 64.439 63.100 -0.025 0.000 0.828 241 P CB 0.017 31.611 31.700 -0.176 0.000 0.788 242 Y N -0.079 120.341 120.300 0.201 0.000 2.397 242 Y HA 0.289 4.839 4.550 -0.000 0.000 0.292 242 Y C 1.762 177.839 175.900 0.295 0.000 1.115 242 Y CA 0.873 59.134 58.100 0.268 0.000 1.208 242 Y CB -0.559 38.020 38.460 0.197 0.000 1.046 242 Y HN 0.017 nan 8.280 nan 0.000 0.552 243 G N 0.987 109.989 108.800 0.337 0.000 2.289 243 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.280 243 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.280 243 G C 0.080 175.149 174.900 0.282 0.000 1.089 243 G CA 0.499 45.751 45.100 0.253 0.000 0.939 243 G HN 0.348 nan 8.290 nan 0.000 0.499 244 D N -0.369 120.179 120.400 0.246 0.000 2.367 244 D HA 0.133 4.773 4.640 -0.000 0.000 0.207 244 D C 2.355 178.656 176.300 0.003 0.000 1.034 244 D CA 0.955 55.088 54.000 0.220 0.000 0.861 244 D CB 0.224 41.178 40.800 0.256 0.000 0.943 244 D HN 0.389 nan 8.370 nan 0.000 0.515 245 S N 0.286 115.974 115.700 -0.020 0.000 2.357 245 S HA -0.010 4.460 4.470 -0.000 0.000 0.221 245 S C 1.073 175.559 174.600 -0.191 0.000 1.031 245 S CA 0.683 58.811 58.200 -0.121 0.000 0.982 245 S CB 0.008 63.160 63.200 -0.079 0.000 0.853 245 S HN 0.372 nan 8.310 nan 0.000 0.458 246 M N 0.080 119.604 119.600 -0.127 0.000 2.224 246 M HA 0.530 5.010 4.480 -0.000 0.000 0.281 246 M C -1.133 175.197 176.300 0.049 0.000 1.025 246 M CA -0.764 54.461 55.300 -0.126 0.000 0.954 246 M CB 1.390 33.971 32.600 -0.030 0.000 1.639 246 M HN 0.072 nan 8.290 nan 0.000 0.461 247 F N 1.377 121.429 119.950 0.169 0.000 2.735 247 F HA 0.717 5.244 4.527 -0.000 0.000 0.304 247 F C -1.292 174.678 175.800 0.283 0.000 1.119 247 F CA -1.671 56.438 58.000 0.181 0.000 1.280 247 F CB -0.177 38.923 39.000 0.167 0.000 0.994 247 F HN 0.534 nan 8.300 nan 0.000 0.520 248 F N 1.587 121.747 119.950 0.350 0.000 2.652 248 F HA 0.524 5.051 4.527 -0.000 0.000 0.320 248 F C -1.875 174.001 175.800 0.126 0.000 1.115 248 F CA -1.622 56.519 58.000 0.235 0.000 1.053 248 F CB 0.958 40.133 39.000 0.292 0.000 1.297 248 F HN 0.216 nan 8.300 nan 0.000 0.471 249 C N 7.645 126.635 119.300 -0.517 0.000 2.701 249 C HA 0.897 5.357 4.460 -0.000 0.000 0.336 249 C C -2.376 172.305 174.990 -0.515 0.000 1.123 249 C CA -0.606 58.217 59.018 -0.325 0.000 1.326 249 C CB 0.701 28.409 27.740 -0.053 0.000 1.833 249 C HN 0.860 nan 8.230 nan 0.000 0.473 250 L N 6.009 127.016 121.223 -0.359 0.000 2.439 250 L HA 0.770 5.110 4.340 -0.000 0.000 0.270 250 L C -0.109 176.660 176.870 -0.167 0.000 0.972 250 L CA -0.021 54.619 54.840 -0.334 0.000 0.836 250 L CB 1.724 43.527 42.059 -0.427 0.000 1.255 250 L HN 0.954 nan 8.230 nan 0.000 0.404 251 R N 2.617 123.021 120.500 -0.161 0.000 2.867 251 R HA 0.969 5.309 4.340 -0.000 0.000 0.268 251 R C -0.939 175.312 176.300 -0.081 0.000 1.014 251 R CA -1.192 54.855 56.100 -0.089 0.000 0.946 251 R CB 2.101 32.339 30.300 -0.104 0.000 1.208 251 R HN 0.418 nan 8.270 nan 0.000 0.477 252 R N 0.870 121.354 120.500 -0.026 0.000 3.072 252 R HA 0.105 4.445 4.340 -0.000 0.000 0.293 252 R C -1.699 174.620 176.300 0.031 0.000 1.210 252 R CA -0.256 55.833 56.100 -0.018 0.000 1.121 252 R CB 1.112 31.378 30.300 -0.057 0.000 1.286 252 R HN 0.982 nan 8.270 nan 0.000 0.393 253 E N 3.879 124.112 120.200 0.054 0.000 2.392 253 E HA 0.535 4.885 4.350 -0.000 0.000 0.269 253 E C -1.487 175.155 176.600 0.070 0.000 0.924 253 E CA -1.007 55.445 56.400 0.087 0.000 0.784 253 E CB 2.719 32.500 29.700 0.136 0.000 1.292 253 E HN 0.588 nan 8.360 nan 0.000 0.447 254 Q N 0.824 120.672 119.800 0.081 0.000 2.617 254 Q HA 0.504 4.844 4.340 -0.000 0.000 0.270 254 Q C -1.495 174.562 176.000 0.095 0.000 0.967 254 Q CA -1.122 54.730 55.803 0.081 0.000 0.887 254 Q CB 1.387 30.173 28.738 0.080 0.000 1.516 254 Q HN 0.631 nan 8.270 nan 0.000 0.395 255 L N -1.326 119.962 121.223 0.108 0.000 3.079 255 L HA 0.882 5.222 4.340 -0.000 0.000 0.278 255 L C -1.761 175.223 176.870 0.189 0.000 1.026 255 L CA -0.881 54.017 54.840 0.097 0.000 0.963 255 L CB 0.430 42.496 42.059 0.012 0.000 1.526 255 L HN 1.083 nan 8.230 nan 0.000 0.397 256 F N -1.075 118.873 119.950 -0.003 0.000 2.713 256 F HA 0.930 5.457 4.527 -0.000 0.000 0.311 256 F C -0.747 175.042 175.800 -0.018 0.000 1.141 256 F CA -0.709 57.284 58.000 -0.012 0.000 0.939 256 F CB 1.057 40.048 39.000 -0.014 0.000 1.325 256 F HN 0.936 nan 8.300 nan 0.000 0.453 257 A N 2.712 125.672 122.820 0.233 0.000 2.350 257 A HA 0.533 4.853 4.320 -0.000 0.000 0.293 257 A C 0.989 178.625 177.584 0.087 0.000 1.231 257 A CA -0.279 51.811 52.037 0.089 0.000 0.883 257 A CB 0.449 19.608 19.000 0.265 0.000 1.133 257 A HN 0.918 nan 8.150 nan 0.000 0.533 258 R N 1.992 122.338 120.500 -0.257 0.000 2.052 258 R HA 0.069 4.409 4.340 -0.000 0.000 0.226 258 R C -0.088 175.872 176.300 -0.566 0.000 1.145 258 R CA 1.653 57.606 56.100 -0.246 0.000 0.952 258 R CB -0.263 29.886 30.300 -0.252 0.000 0.847 258 R HN 0.845 nan 8.270 nan 0.000 0.431 259 H N -2.205 116.593 119.070 -0.454 0.000 2.797 259 H HA 0.418 4.974 4.556 -0.000 0.000 0.372 259 H C -1.212 173.763 175.328 -0.587 0.000 1.168 259 H CA -0.631 54.974 56.048 -0.738 0.000 1.163 259 H CB 1.602 30.765 29.762 -0.998 0.000 1.778 259 H HN 0.004 nan 8.280 nan 0.000 0.551 260 F N 1.536 121.195 119.950 -0.486 0.000 2.444 260 F HA 0.341 4.868 4.527 -0.000 0.000 0.342 260 F C -0.636 175.073 175.800 -0.152 0.000 1.121 260 F CA -0.812 57.023 58.000 -0.275 0.000 0.997 260 F CB 1.477 40.418 39.000 -0.100 0.000 1.130 260 F HN 0.178 nan 8.300 nan 0.000 0.454 261 W N 1.182 122.707 121.300 0.376 0.000 2.992 261 W HA 0.329 4.989 4.660 -0.000 0.000 0.342 261 W C -0.740 175.940 176.519 0.269 0.000 1.176 261 W CA -1.207 56.316 57.345 0.298 0.000 1.118 261 W CB 1.479 31.104 29.460 0.275 0.000 1.457 261 W HN 0.429 nan 8.180 nan 0.000 0.573 262 N N 0.810 119.765 118.700 0.425 0.000 2.489 262 N HA 0.422 5.162 4.740 -0.000 0.000 0.284 262 N C -0.434 175.134 175.510 0.096 0.000 1.158 262 N CA -0.640 52.507 53.050 0.160 0.000 0.965 262 N CB 1.044 39.594 38.487 0.104 0.000 1.195 262 N HN -0.073 nan 8.380 nan 0.000 0.506 263 R N 0.998 121.488 120.500 -0.017 0.000 2.460 263 R HA 0.455 4.795 4.340 -0.000 0.000 0.303 263 R C -0.649 175.616 176.300 -0.059 0.000 0.968 263 R CA -0.624 55.456 56.100 -0.034 0.000 0.889 263 R CB 1.399 31.670 30.300 -0.048 0.000 1.123 263 R HN 0.572 nan 8.270 nan 0.000 0.455 264 A N 0.905 123.688 122.820 -0.062 0.000 2.332 264 A HA 0.713 5.033 4.320 -0.000 0.000 0.258 264 A C 0.412 177.958 177.584 -0.063 0.000 1.087 264 A CA 0.547 52.549 52.037 -0.058 0.000 0.802 264 A CB 0.483 19.450 19.000 -0.056 0.000 1.042 264 A HN 0.832 nan 8.150 nan 0.000 0.489 265 G N -0.607 108.160 108.800 -0.055 0.000 2.340 265 G HA2 0.481 4.441 3.960 -0.000 0.000 0.527 265 G HA3 0.481 4.441 3.960 -0.000 0.000 0.527 265 G C -0.346 174.525 174.900 -0.048 0.000 1.381 265 G CA -0.189 44.880 45.100 -0.052 0.000 1.001 265 G HN 1.868 nan 8.290 nan 0.000 0.626 266 T N -0.501 114.028 114.554 -0.041 0.000 2.909 266 T HA 0.620 4.970 4.350 -0.000 0.000 0.289 266 T C 0.846 175.522 174.700 -0.040 0.000 1.005 266 T CA -0.698 61.380 62.100 -0.037 0.000 1.084 266 T CB 1.075 69.926 68.868 -0.028 0.000 0.975 266 T HN 0.586 nan 8.240 nan 0.000 0.509 267 M N 2.891 122.467 119.600 -0.041 0.000 2.200 267 M HA 0.270 4.750 4.480 -0.000 0.000 0.355 267 M C 1.576 177.858 176.300 -0.029 0.000 1.283 267 M CA -0.490 54.785 55.300 -0.042 0.000 1.124 267 M CB 0.495 33.067 32.600 -0.046 0.000 1.625 267 M HN 1.058 nan 8.290 nan 0.000 0.463 268 G N 2.633 111.415 108.800 -0.029 0.000 2.404 268 G HA2 -0.046 3.914 3.960 -0.000 0.000 0.213 268 G HA3 -0.046 3.914 3.960 -0.000 0.000 0.213 268 G C 0.169 175.060 174.900 -0.016 0.000 1.189 268 G CA 0.104 45.191 45.100 -0.022 0.000 0.796 268 G HN 0.611 nan 8.290 nan 0.000 0.532 269 D N 1.222 121.612 120.400 -0.017 0.000 2.277 269 D HA 0.355 4.995 4.640 -0.000 0.000 0.249 269 D C -0.273 176.026 176.300 -0.002 0.000 1.134 269 D CA 0.259 54.254 54.000 -0.009 0.000 0.863 269 D CB 1.437 42.231 40.800 -0.010 0.000 1.143 269 D HN -0.080 nan 8.370 nan 0.000 0.458 270 T N 1.416 115.975 114.554 0.009 0.000 2.780 270 T HA 0.203 4.553 4.350 -0.000 0.000 0.294 270 T C 0.620 175.346 174.700 0.043 0.000 0.949 270 T CA -0.644 61.469 62.100 0.021 0.000 1.074 270 T CB 1.061 69.945 68.868 0.027 0.000 0.910 270 T HN 0.015 nan 8.240 nan 0.000 0.501 271 V N 6.763 126.711 119.914 0.057 0.000 2.485 271 V HA 0.105 4.225 4.120 -0.000 0.000 0.287 271 V C -1.761 174.435 176.094 0.170 0.000 1.022 271 V CA -1.479 60.877 62.300 0.094 0.000 1.067 271 V CB -0.357 31.503 31.823 0.062 0.000 0.967 271 V HN 0.746 nan 8.190 nan 0.000 0.479 272 P HA -0.023 nan 4.420 nan 0.000 0.261 272 P C 0.775 178.143 177.300 0.113 0.000 1.173 272 P CA 0.244 63.404 63.100 0.099 0.000 0.760 272 P CB 0.382 32.123 31.700 0.069 0.000 0.783 273 Q N 1.542 121.339 119.800 -0.005 0.000 2.291 273 Q HA -0.095 4.245 4.340 -0.000 0.000 0.205 273 Q C 1.486 177.300 176.000 -0.309 0.000 0.970 273 Q CA 1.583 57.243 55.803 -0.238 0.000 0.876 273 Q CB -0.182 28.448 28.738 -0.180 0.000 0.935 273 Q HN 0.588 nan 8.270 nan 0.000 0.455 274 S N -0.936 114.692 115.700 -0.121 0.000 2.603 274 S HA 0.103 4.573 4.470 -0.000 0.000 0.220 274 S C 1.526 176.105 174.600 -0.035 0.000 0.967 274 S CA -0.003 58.145 58.200 -0.087 0.000 0.920 274 S CB -0.060 63.115 63.200 -0.041 0.000 0.773 274 S HN 0.267 nan 8.310 nan 0.000 0.529 275 L N 0.464 121.703 121.223 0.027 0.000 2.607 275 L HA 0.391 4.731 4.340 -0.000 0.000 0.228 275 L C 0.239 177.263 176.870 0.257 0.000 1.123 275 L CA -0.267 54.654 54.840 0.135 0.000 0.890 275 L CB -0.312 41.854 42.059 0.178 0.000 1.103 275 L HN 0.606 nan 8.230 nan 0.000 0.468 276 Y N -2.966 117.342 120.300 0.013 0.000 2.764 276 Y HA 0.622 5.172 4.550 -0.000 0.000 0.331 276 Y C -1.103 174.804 175.900 0.012 0.000 1.280 276 Y CA -1.553 56.556 58.100 0.014 0.000 1.065 276 Y CB 1.050 39.521 38.460 0.019 0.000 1.319 276 Y HN -0.279 nan 8.280 nan 0.000 0.453 277 I N 2.594 123.260 120.570 0.160 0.000 2.406 277 I HA 0.320 4.490 4.170 -0.000 0.000 0.290 277 I C -0.478 175.730 176.117 0.151 0.000 0.999 277 I CA -1.063 60.261 61.300 0.040 0.000 1.124 277 I CB 1.818 39.846 38.000 0.046 0.000 1.289 277 I HN 0.536 nan 8.210 nan 0.000 0.441 278 K N 3.457 123.897 120.400 0.065 0.000 2.440 278 K HA 0.181 4.501 4.320 -0.000 0.000 0.270 278 K C 0.447 177.117 176.600 0.116 0.000 0.980 278 K CA 0.087 56.464 56.287 0.151 0.000 0.953 278 K CB 0.734 33.277 32.500 0.073 0.000 0.925 278 K HN 0.837 nan 8.250 nan 0.000 0.497 279 G N 0.340 109.209 108.800 0.115 0.000 2.990 279 G HA2 0.392 4.352 3.960 -0.000 0.000 0.208 279 G HA3 0.392 4.352 3.960 -0.000 0.000 0.208 279 G C -0.811 174.122 174.900 0.054 0.000 1.334 279 G CA -0.455 44.688 45.100 0.071 0.000 1.024 279 G HN 0.584 nan 8.290 nan 0.000 0.574 280 T N -2.979 111.600 114.554 0.041 0.000 2.856 280 T HA 0.670 5.020 4.350 -0.000 0.000 0.283 280 T C 0.683 175.401 174.700 0.029 0.000 1.008 280 T CA 0.612 62.732 62.100 0.033 0.000 0.997 280 T CB 1.298 70.181 68.868 0.026 0.000 0.992 280 T HN 2.353 nan 8.240 nan 0.000 0.454 281 G N 3.274 112.089 108.800 0.026 0.000 2.496 281 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.243 281 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.243 281 G C 0.892 175.805 174.900 0.022 0.000 1.176 281 G CA 0.357 45.470 45.100 0.021 0.000 0.940 281 G HN 1.452 nan 8.290 nan 0.000 0.573 282 M N -0.328 119.284 119.600 0.019 0.000 2.446 282 M HA 0.226 4.706 4.480 -0.000 0.000 0.263 282 M C 1.944 178.254 176.300 0.017 0.000 1.066 282 M CA 2.194 57.504 55.300 0.016 0.000 1.087 282 M CB -0.147 32.462 32.600 0.014 0.000 1.406 282 M HN 0.332 nan 8.290 nan 0.000 0.459 283 R N 0.381 120.895 120.500 0.024 0.000 2.427 283 R HA 0.337 4.677 4.340 -0.000 0.000 0.262 283 R C 1.387 177.717 176.300 0.049 0.000 0.943 283 R CA 0.321 56.438 56.100 0.029 0.000 1.081 283 R CB 0.268 30.588 30.300 0.033 0.000 1.166 283 R HN 0.531 nan 8.270 nan 0.000 0.534 284 A N -0.147 122.703 122.820 0.050 0.000 2.220 284 A HA 0.104 4.424 4.320 -0.000 0.000 0.211 284 A C 0.563 178.203 177.584 0.095 0.000 1.176 284 A CA 0.224 52.306 52.037 0.075 0.000 0.834 284 A CB 0.540 19.572 19.000 0.053 0.000 0.868 284 A HN 0.118 nan 8.150 nan 0.000 0.488 285 S N 1.056 116.789 115.700 0.055 0.000 2.575 285 S HA 0.557 5.027 4.470 -0.000 0.000 0.278 285 S C -3.212 171.362 174.600 -0.043 0.000 1.139 285 S CA -1.325 56.901 58.200 0.043 0.000 0.954 285 S CB 1.489 64.712 63.200 0.039 0.000 1.054 285 S HN 0.123 nan 8.310 nan 0.000 0.483 286 P HA 0.227 nan 4.420 nan 0.000 0.265 286 P C 0.722 177.955 177.300 -0.111 0.000 1.193 286 P CA 0.041 63.013 63.100 -0.214 0.000 0.765 286 P CB 0.294 31.770 31.700 -0.373 0.000 0.823 287 G N 1.926 110.674 108.800 -0.087 0.000 2.514 287 G HA2 0.120 4.080 3.960 -0.000 0.000 0.245 287 G HA3 0.120 4.080 3.960 -0.000 0.000 0.245 287 G C -0.226 174.623 174.900 -0.085 0.000 1.488 287 G CA -0.450 44.613 45.100 -0.061 0.000 1.063 287 G HN 0.597 nan 8.290 nan 0.000 0.557 288 S N -1.812 113.834 115.700 -0.091 0.000 2.516 288 S HA 0.159 4.629 4.470 -0.000 0.000 0.282 288 S C 0.377 174.807 174.600 -0.283 0.000 1.286 288 S CA -0.589 57.517 58.200 -0.157 0.000 1.066 288 S CB -0.042 63.069 63.200 -0.148 0.000 0.884 288 S HN 0.477 nan 8.310 nan 0.000 0.491 289 C N 5.553 124.667 119.300 -0.309 0.000 2.742 289 C HA 0.361 4.821 4.460 -0.000 0.000 0.283 289 C C -0.199 174.471 174.990 -0.534 0.000 1.451 289 C CA -0.582 58.162 59.018 -0.456 0.000 1.785 289 C CB -1.087 26.579 27.740 -0.124 0.000 2.664 289 C HN 0.664 nan 8.230 nan 0.000 0.544 290 V N 1.904 121.518 119.914 -0.501 0.000 2.311 290 V HA 0.353 4.473 4.120 -0.000 0.000 0.275 290 V C -0.633 175.261 176.094 -0.333 0.000 1.022 290 V CA -0.312 61.812 62.300 -0.294 0.000 0.830 290 V CB -0.048 31.693 31.823 -0.136 0.000 1.012 290 V HN 0.432 nan 8.190 nan 0.000 0.452 291 Y N 2.516 122.842 120.300 0.042 0.000 2.387 291 Y HA 0.697 5.247 4.550 -0.000 0.000 0.330 291 Y C 0.641 176.590 175.900 0.082 0.000 1.133 291 Y CA -0.577 57.564 58.100 0.069 0.000 1.152 291 Y CB 2.098 40.567 38.460 0.016 0.000 1.215 291 Y HN 0.651 nan 8.280 nan 0.000 0.466 292 S N 2.500 118.380 115.700 0.301 0.000 2.592 292 S HA 0.508 4.978 4.470 -0.000 0.000 0.275 292 S C -3.422 171.350 174.600 0.288 0.000 1.169 292 S CA -1.368 56.980 58.200 0.246 0.000 0.958 292 S CB 2.317 65.694 63.200 0.295 0.000 1.095 292 S HN 0.401 nan 8.310 nan 0.000 0.471 293 P HA 0.405 nan 4.420 nan 0.000 0.282 293 P C -0.344 176.956 177.300 -0.000 0.000 1.259 293 P CA -0.505 62.643 63.100 0.079 0.000 0.826 293 P CB 1.478 33.204 31.700 0.043 0.000 1.064 294 S N 2.295 117.924 115.700 -0.118 0.000 2.499 294 S HA 0.389 4.859 4.470 -0.000 0.000 0.275 294 S C -2.021 172.462 174.600 -0.195 0.000 1.257 294 S CA -1.101 57.058 58.200 -0.067 0.000 1.050 294 S CB -0.026 63.111 63.200 -0.105 0.000 0.937 294 S HN 0.339 nan 8.310 nan 0.000 0.490 295 P HA 0.470 nan 4.420 nan 0.000 0.279 295 P C -0.634 176.482 177.300 -0.307 0.000 1.276 295 P CA -0.668 62.262 63.100 -0.284 0.000 0.801 295 P CB 1.105 32.644 31.700 -0.268 0.000 1.127 296 S N -1.221 114.218 115.700 -0.435 0.000 2.586 296 S HA 0.516 4.986 4.470 -0.000 0.000 0.296 296 S C -0.584 173.803 174.600 -0.355 0.000 1.120 296 S CA -0.621 57.309 58.200 -0.449 0.000 0.927 296 S CB -0.075 62.650 63.200 -0.791 0.000 1.114 296 S HN 0.659 nan 8.310 nan 0.000 0.453 297 G N 2.209 110.976 108.800 -0.055 0.000 2.448 297 G HA2 0.540 4.500 3.960 -0.000 0.000 0.285 297 G HA3 0.540 4.500 3.960 -0.000 0.000 0.285 297 G C 0.547 175.545 174.900 0.164 0.000 1.176 297 G CA 0.086 45.236 45.100 0.082 0.000 0.852 297 G HN 0.782 nan 8.290 nan 0.000 0.530 298 S N 0.194 116.040 115.700 0.244 0.000 2.907 298 S HA 0.327 4.797 4.470 -0.000 0.000 0.166 298 S C 0.991 175.689 174.600 0.163 0.000 0.956 298 S CA -0.549 57.828 58.200 0.295 0.000 1.531 298 S CB -0.363 62.984 63.200 0.246 0.000 0.573 298 S HN 0.401 nan 8.310 nan 0.000 0.488 299 I N 1.800 122.436 120.570 0.110 0.000 2.634 299 I HA 0.278 4.448 4.170 -0.000 0.000 0.284 299 I C -0.210 175.949 176.117 0.069 0.000 1.124 299 I CA -0.224 61.121 61.300 0.074 0.000 1.417 299 I CB 1.364 39.392 38.000 0.047 0.000 1.396 299 I HN 0.181 nan 8.210 nan 0.000 0.571 300 V N 5.854 125.805 119.914 0.060 0.000 2.417 300 V HA 0.628 4.748 4.120 -0.000 0.000 0.291 300 V C -0.284 175.834 176.094 0.039 0.000 1.024 300 V CA 0.137 62.469 62.300 0.054 0.000 0.861 300 V CB 1.713 33.572 31.823 0.060 0.000 0.985 300 V HN 0.891 nan 8.190 nan 0.000 0.436 301 T N 2.686 117.259 114.554 0.031 0.000 2.896 301 T HA 0.396 4.746 4.350 -0.000 0.000 0.297 301 T C 0.839 175.548 174.700 0.016 0.000 1.108 301 T CA 0.126 62.239 62.100 0.021 0.000 1.004 301 T CB 1.914 70.791 68.868 0.016 0.000 1.159 301 T HN 1.158 nan 8.240 nan 0.000 0.499 302 S N 1.411 117.119 115.700 0.012 0.000 2.603 302 S HA 0.068 4.538 4.470 -0.000 0.000 0.220 302 S C 0.937 175.538 174.600 0.002 0.000 0.967 302 S CA 0.238 58.443 58.200 0.009 0.000 0.920 302 S CB -0.210 62.994 63.200 0.008 0.000 0.773 302 S HN 0.715 nan 8.310 nan 0.000 0.529 303 D N 2.857 123.258 120.400 0.001 0.000 2.117 303 D HA -0.059 4.581 4.640 -0.000 0.000 0.198 303 D C 1.749 178.044 176.300 -0.007 0.000 0.982 303 D CA 1.670 55.668 54.000 -0.003 0.000 0.828 303 D CB -0.319 40.480 40.800 -0.002 0.000 0.967 303 D HN 0.679 nan 8.370 nan 0.000 0.464 304 S N -0.043 115.653 115.700 -0.007 0.000 2.622 304 S HA 0.099 4.569 4.470 -0.000 0.000 0.236 304 S C 0.639 175.219 174.600 -0.033 0.000 0.956 304 S CA -0.498 57.692 58.200 -0.016 0.000 0.971 304 S CB 0.298 63.494 63.200 -0.007 0.000 0.782 304 S HN -0.105 nan 8.310 nan 0.000 0.468 305 Q N 1.173 120.956 119.800 -0.028 0.000 2.289 305 Q HA 0.342 4.682 4.340 -0.000 0.000 0.273 305 Q C 0.597 176.542 176.000 -0.091 0.000 1.029 305 Q CA -0.209 55.569 55.803 -0.041 0.000 0.896 305 Q CB 0.845 29.585 28.738 0.003 0.000 1.182 305 Q HN 0.361 nan 8.270 nan 0.000 0.385 306 L N 4.146 125.219 121.223 -0.249 0.000 2.209 306 L HA 0.241 4.581 4.340 -0.000 0.000 0.207 306 L C 0.007 176.755 176.870 -0.204 0.000 1.094 306 L CA 1.068 55.699 54.840 -0.348 0.000 0.790 306 L CB -0.051 41.565 42.059 -0.739 0.000 0.932 306 L HN 0.649 nan 8.230 nan 0.000 0.447 307 F N -0.650 119.397 119.950 0.162 0.000 2.321 307 F HA 0.218 4.745 4.527 -0.000 0.000 0.318 307 F C 1.427 177.246 175.800 0.032 0.000 1.129 307 F CA -0.554 57.543 58.000 0.161 0.000 1.074 307 F CB 0.077 39.123 39.000 0.075 0.000 1.432 307 F HN -0.080 nan 8.300 nan 0.000 0.502 308 N N -0.082 118.742 118.700 0.206 0.000 2.741 308 N HA -0.212 4.528 4.740 -0.000 0.000 0.250 308 N C -1.470 173.978 175.510 -0.103 0.000 1.115 308 N CA 0.458 53.516 53.050 0.013 0.000 0.724 308 N CB -0.729 37.771 38.487 0.022 0.000 1.090 308 N HN 0.397 nan 8.380 nan 0.000 0.558 309 K N -0.091 120.160 120.400 -0.247 0.000 2.464 309 K HA 0.482 4.802 4.320 -0.000 0.000 0.253 309 K C -2.852 173.189 176.600 -0.931 0.000 0.933 309 K CA -1.541 54.440 56.287 -0.510 0.000 0.801 309 K CB 2.809 34.998 32.500 -0.519 0.000 1.271 309 K HN -0.158 nan 8.250 nan 0.000 0.430 310 P HA 0.229 nan 4.420 nan 0.000 0.294 310 P C -1.535 175.005 177.300 -1.266 0.000 1.294 310 P CA -0.489 62.014 63.100 -0.994 0.000 0.827 310 P CB 0.511 31.693 31.700 -0.864 0.000 0.992 311 Y N 0.720 120.616 120.300 -0.673 0.000 2.341 311 Y HA 0.421 4.971 4.550 -0.000 0.000 0.338 311 Y C -0.260 175.246 175.900 -0.656 0.000 0.965 311 Y CA -0.807 56.988 58.100 -0.508 0.000 1.108 311 Y CB 0.953 39.416 38.460 0.005 0.000 1.180 311 Y HN 0.332 nan 8.280 nan 0.000 0.458 312 W N 5.096 126.478 121.300 0.137 0.000 2.331 312 W HA 0.647 5.307 4.660 -0.000 0.000 0.306 312 W C -0.716 175.905 176.519 0.170 0.000 1.162 312 W CA -1.067 56.329 57.345 0.085 0.000 1.232 312 W CB 0.746 30.245 29.460 0.064 0.000 1.235 312 W HN 0.384 nan 8.180 nan 0.000 0.479 313 L N 2.629 124.030 121.223 0.296 0.000 2.264 313 L HA 0.493 4.833 4.340 -0.000 0.000 0.289 313 L C 0.976 178.042 176.870 0.327 0.000 1.044 313 L CA -0.676 54.361 54.840 0.329 0.000 0.807 313 L CB 0.755 42.885 42.059 0.119 0.000 1.192 313 L HN 0.589 nan 8.230 nan 0.000 0.425 314 H N 1.736 120.901 119.070 0.158 0.000 2.481 314 H HA 0.386 4.942 4.556 -0.000 0.000 0.291 314 H C -0.354 175.030 175.328 0.093 0.000 1.009 314 H CA -0.287 55.836 56.048 0.125 0.000 1.282 314 H CB 0.384 30.218 29.762 0.120 0.000 1.457 314 H HN 0.549 nan 8.280 nan 0.000 0.525 315 K N 0.983 120.996 120.400 -0.644 0.000 2.637 315 K HA 0.602 4.922 4.320 -0.000 0.000 0.248 315 K C -0.836 175.626 176.600 -0.230 0.000 0.971 315 K CA -0.276 55.797 56.287 -0.357 0.000 0.858 315 K CB 3.026 35.343 32.500 -0.304 0.000 1.170 315 K HN 0.376 nan 8.250 nan 0.000 0.443 316 A N 1.733 124.510 122.820 -0.072 0.000 2.409 316 A HA 0.021 4.341 4.320 -0.000 0.000 0.246 316 A C 1.170 178.782 177.584 0.047 0.000 1.099 316 A CA 0.199 52.261 52.037 0.041 0.000 0.789 316 A CB 0.332 19.372 19.000 0.067 0.000 1.053 316 A HN 0.860 nan 8.150 nan 0.000 0.503 317 Q N 0.611 120.471 119.800 0.099 0.000 2.163 317 Q HA 0.245 4.585 4.340 -0.000 0.000 0.198 317 Q C 1.013 177.027 176.000 0.023 0.000 0.954 317 Q CA 1.270 57.106 55.803 0.055 0.000 0.851 317 Q CB -0.748 28.029 28.738 0.065 0.000 0.928 317 Q HN 0.784 nan 8.270 nan 0.000 0.459 318 G N -0.696 108.144 108.800 0.067 0.000 2.509 318 G HA2 0.184 4.144 3.960 -0.000 0.000 0.269 318 G HA3 0.184 4.144 3.960 -0.000 0.000 0.269 318 G C -0.238 174.668 174.900 0.010 0.000 1.416 318 G CA -0.105 44.999 45.100 0.006 0.000 1.052 318 G HN 0.419 nan 8.290 nan 0.000 0.542 319 H N -1.013 118.173 119.070 0.192 0.000 2.436 319 H HA 0.051 4.607 4.556 -0.000 0.000 0.294 319 H C 0.871 176.342 175.328 0.239 0.000 1.048 319 H CA 0.273 56.445 56.048 0.207 0.000 1.353 319 H CB 0.348 30.256 29.762 0.242 0.000 1.414 319 H HN 0.239 nan 8.280 nan 0.000 0.536 320 N N 1.566 120.512 118.700 0.409 0.000 2.411 320 N HA -0.085 4.655 4.740 -0.000 0.000 0.259 320 N C -0.735 174.903 175.510 0.214 0.000 1.103 320 N CA 0.082 53.349 53.050 0.361 0.000 0.954 320 N CB 0.279 39.059 38.487 0.489 0.000 1.085 320 N HN 0.235 nan 8.380 nan 0.000 0.485 321 N N 3.073 121.801 118.700 0.047 0.000 3.324 321 N HA 0.141 4.881 4.740 -0.000 0.000 0.302 321 N C 0.397 175.719 175.510 -0.314 0.000 1.360 321 N CA 0.334 53.331 53.050 -0.089 0.000 1.190 321 N CB -0.581 37.875 38.487 -0.052 0.000 1.462 321 N HN 0.831 nan 8.380 nan 0.000 0.532 322 G N 0.253 108.627 108.800 -0.710 0.000 2.137 322 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.237 322 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.237 322 G C -0.064 174.555 174.900 -0.470 0.000 1.002 322 G CA 0.092 44.452 45.100 -1.234 0.000 0.702 322 G HN 0.328 nan 8.290 nan 0.000 0.515 323 V N 0.672 120.418 119.914 -0.279 0.000 2.455 323 V HA 0.287 4.407 4.120 -0.000 0.000 0.273 323 V C 1.105 177.046 176.094 -0.255 0.000 1.045 323 V CA -0.165 61.921 62.300 -0.357 0.000 0.976 323 V CB 1.309 32.719 31.823 -0.689 0.000 0.993 323 V HN 0.419 nan 8.190 nan 0.000 0.475 324 C N 5.919 125.144 119.300 -0.124 0.000 2.225 324 C HA 0.279 4.739 4.460 -0.000 0.000 0.437 324 C C 0.463 175.523 174.990 0.117 0.000 1.039 324 C CA -1.368 57.692 59.018 0.069 0.000 1.406 324 C CB -1.804 25.996 27.740 0.100 0.000 1.548 324 C HN 0.864 nan 8.230 nan 0.000 0.515 325 W N 1.678 123.135 121.300 0.261 0.000 2.274 325 W HA 0.156 4.816 4.660 -0.000 0.000 0.345 325 W C 1.251 177.973 176.519 0.338 0.000 1.265 325 W CA 0.230 57.735 57.345 0.267 0.000 1.293 325 W CB -0.087 29.543 29.460 0.282 0.000 1.175 325 W HN 0.764 nan 8.180 nan 0.000 0.577 326 H N 0.290 119.550 119.070 0.317 0.000 3.179 326 H HA -0.284 4.272 4.556 -0.000 0.000 0.250 326 H C 0.550 175.949 175.328 0.119 0.000 1.142 326 H CA 1.229 57.376 56.048 0.165 0.000 1.165 326 H CB -2.062 27.783 29.762 0.138 0.000 1.253 326 H HN 0.557 nan 8.280 nan 0.000 0.325 327 N N -0.713 118.119 118.700 0.220 0.000 2.721 327 N HA -0.231 4.509 4.740 -0.000 0.000 0.249 327 N C -0.087 175.431 175.510 0.012 0.000 1.072 327 N CA 1.411 54.519 53.050 0.097 0.000 0.710 327 N CB -0.801 37.718 38.487 0.052 0.000 0.993 327 N HN 0.732 nan 8.380 nan 0.000 0.547 328 Q N -0.269 119.565 119.800 0.056 0.000 2.416 328 Q HA 0.838 5.178 4.340 -0.000 0.000 0.279 328 Q C -0.778 175.176 176.000 -0.077 0.000 1.101 328 Q CA -0.820 54.945 55.803 -0.063 0.000 0.830 328 Q CB 2.529 31.259 28.738 -0.014 0.000 1.402 328 Q HN 0.348 nan 8.270 nan 0.000 0.445 329 L N 1.010 122.082 121.223 -0.252 0.000 2.611 329 L HA 0.499 4.839 4.340 -0.000 0.000 0.260 329 L C -1.941 174.764 176.870 -0.274 0.000 0.924 329 L CA -0.500 54.283 54.840 -0.096 0.000 0.901 329 L CB 1.223 43.256 42.059 -0.043 0.000 1.369 329 L HN 0.536 nan 8.230 nan 0.000 0.415 330 F N 4.114 124.005 119.950 -0.098 0.000 2.443 330 F HA 0.639 5.166 4.527 -0.000 0.000 0.335 330 F C 0.005 175.794 175.800 -0.018 0.000 1.104 330 F CA -0.775 57.143 58.000 -0.137 0.000 1.013 330 F CB 2.043 40.874 39.000 -0.282 0.000 1.136 330 F HN 0.037 nan 8.300 nan 0.000 0.470 331 V N 2.659 122.705 119.914 0.220 0.000 2.326 331 V HA 0.353 4.473 4.120 -0.000 0.000 0.281 331 V C -0.464 175.783 176.094 0.256 0.000 1.015 331 V CA -0.613 61.843 62.300 0.262 0.000 0.823 331 V CB 1.485 33.490 31.823 0.303 0.000 1.009 331 V HN 0.820 nan 8.190 nan 0.000 0.436 332 T N 4.743 119.420 114.554 0.206 0.000 2.767 332 T HA 0.689 5.039 4.350 -0.000 0.000 0.288 332 T C -0.294 174.548 174.700 0.238 0.000 0.963 332 T CA -0.430 61.788 62.100 0.196 0.000 1.019 332 T CB 1.678 70.632 68.868 0.145 0.000 0.923 332 T HN 0.311 nan 8.240 nan 0.000 0.468 333 V N 3.333 123.386 119.914 0.232 0.000 2.789 333 V HA 0.648 4.768 4.120 -0.000 0.000 0.311 333 V C -0.660 175.556 176.094 0.203 0.000 1.073 333 V CA -0.771 61.672 62.300 0.239 0.000 0.921 333 V CB 2.375 34.315 31.823 0.195 0.000 1.009 333 V HN 0.726 nan 8.190 nan 0.000 0.426 334 V N 2.686 122.737 119.914 0.229 0.000 2.638 334 V HA 0.676 4.796 4.120 -0.000 0.000 0.306 334 V C -1.397 174.850 176.094 0.256 0.000 1.052 334 V CA -0.401 61.972 62.300 0.123 0.000 0.885 334 V CB 2.117 33.926 31.823 -0.024 0.000 0.999 334 V HN 1.012 nan 8.190 nan 0.000 0.424 335 D N 2.163 122.679 120.400 0.193 0.000 2.354 335 D HA 0.239 4.879 4.640 -0.000 0.000 0.230 335 D C 0.519 176.869 176.300 0.082 0.000 1.361 335 D CA 0.176 54.332 54.000 0.261 0.000 0.992 335 D CB 1.786 42.776 40.800 0.317 0.000 1.409 335 D HN 0.603 nan 8.370 nan 0.000 0.573 336 T N -0.498 114.070 114.554 0.024 0.000 3.122 336 T HA 0.030 4.380 4.350 -0.000 0.000 0.250 336 T C 1.524 176.201 174.700 -0.038 0.000 1.067 336 T CA 0.713 62.728 62.100 -0.141 0.000 0.966 336 T CB -0.154 68.601 68.868 -0.188 0.000 1.002 336 T HN 0.317 nan 8.240 nan 0.000 0.542 337 T N -0.256 114.324 114.554 0.044 0.000 3.085 337 T HA 0.152 4.502 4.350 -0.000 0.000 0.263 337 T C 1.026 175.754 174.700 0.047 0.000 1.127 337 T CA -0.011 62.124 62.100 0.059 0.000 1.103 337 T CB -0.297 68.619 68.868 0.081 0.000 0.921 337 T HN 0.398 nan 8.240 nan 0.000 0.510 338 R N 1.557 122.080 120.500 0.039 0.000 2.629 338 R HA 0.322 4.662 4.340 -0.000 0.000 0.277 338 R C 0.093 176.445 176.300 0.086 0.000 1.637 338 R CA -0.037 56.095 56.100 0.053 0.000 1.663 338 R CB 0.954 31.276 30.300 0.036 0.000 1.228 338 R HN 0.405 nan 8.270 nan 0.000 0.632 339 S N -1.279 114.439 115.700 0.030 0.000 2.624 339 S HA 0.041 4.511 4.470 -0.000 0.000 0.246 339 S C 0.424 174.992 174.600 -0.053 0.000 1.072 339 S CA -0.643 57.518 58.200 -0.066 0.000 1.045 339 S CB 0.295 63.399 63.200 -0.161 0.000 0.851 339 S HN 0.275 nan 8.310 nan 0.000 0.480 340 T N 1.485 116.073 114.554 0.057 0.000 2.870 340 T HA 0.313 4.663 4.350 -0.000 0.000 0.300 340 T C -0.255 174.495 174.700 0.083 0.000 0.989 340 T CA -0.481 61.653 62.100 0.056 0.000 1.139 340 T CB 0.089 68.997 68.868 0.067 0.000 0.920 340 T HN 0.451 nan 8.240 nan 0.000 0.537 341 N N 2.285 121.005 118.700 0.035 0.000 2.419 341 N HA 0.387 5.127 4.740 -0.000 0.000 0.277 341 N C -0.380 175.155 175.510 0.042 0.000 1.006 341 N CA -0.757 52.318 53.050 0.042 0.000 0.923 341 N CB 1.044 39.509 38.487 -0.037 0.000 1.140 341 N HN 0.499 nan 8.380 nan 0.000 0.488 342 L N 1.661 122.917 121.223 0.055 0.000 2.397 342 L HA 0.246 4.586 4.340 -0.000 0.000 0.271 342 L C 0.570 177.454 176.870 0.024 0.000 1.148 342 L CA -0.038 54.824 54.840 0.036 0.000 0.825 342 L CB 0.496 42.574 42.059 0.033 0.000 1.117 342 L HN 0.419 nan 8.230 nan 0.000 0.456 343 T N 4.029 118.600 114.554 0.028 0.000 2.829 343 T HA 0.632 4.982 4.350 -0.000 0.000 0.282 343 T C -0.158 174.576 174.700 0.058 0.000 0.990 343 T CA -0.234 61.888 62.100 0.037 0.000 1.028 343 T CB 1.052 69.938 68.868 0.029 0.000 0.951 343 T HN 0.297 nan 8.240 nan 0.000 0.460 344 I N 3.080 123.709 120.570 0.099 0.000 2.533 344 I HA 0.492 4.662 4.170 -0.000 0.000 0.290 344 I C -0.255 175.981 176.117 0.199 0.000 1.056 344 I CA -0.855 60.512 61.300 0.111 0.000 1.057 344 I CB 1.632 39.673 38.000 0.067 0.000 1.240 344 I HN 0.763 nan 8.210 nan 0.000 0.423 345 C N 3.941 123.347 119.300 0.177 0.000 2.547 345 C HA 0.976 5.436 4.460 -0.000 0.000 0.313 345 C C -0.062 175.087 174.990 0.265 0.000 1.191 345 C CA -0.484 58.693 59.018 0.264 0.000 1.474 345 C CB 0.625 28.507 27.740 0.236 0.000 2.081 345 C HN 0.862 nan 8.230 nan 0.000 0.476 346 A N 2.728 125.724 122.820 0.295 0.000 2.354 346 A HA 0.959 5.279 4.320 -0.000 0.000 0.321 346 A C 0.133 177.809 177.584 0.153 0.000 1.125 346 A CA -0.013 52.140 52.037 0.193 0.000 0.799 346 A CB 1.251 20.318 19.000 0.110 0.000 1.293 346 A HN 1.940 nan 8.150 nan 0.000 0.452 347 S N -0.117 115.565 115.700 -0.031 0.000 2.690 347 S HA 0.505 4.975 4.470 -0.000 0.000 0.291 347 S C 0.643 175.112 174.600 -0.217 0.000 1.138 347 S CA 0.266 58.251 58.200 -0.359 0.000 1.013 347 S CB 1.193 63.985 63.200 -0.680 0.000 1.053 347 S HN 0.593 nan 8.310 nan 0.000 0.539 348 T N 1.011 115.404 114.554 -0.268 0.000 2.852 348 T HA 0.062 4.412 4.350 -0.000 0.000 0.256 348 T C 0.516 175.137 174.700 -0.132 0.000 1.038 348 T CA 0.836 62.850 62.100 -0.143 0.000 1.141 348 T CB -0.236 68.556 68.868 -0.127 0.000 0.869 348 T HN 0.587 nan 8.240 nan 0.000 0.439 349 Q N 1.313 121.007 119.800 -0.178 0.000 2.373 349 Q HA 0.274 4.614 4.340 -0.000 0.000 0.255 349 Q C 1.348 177.288 176.000 -0.101 0.000 0.980 349 Q CA -0.012 55.716 55.803 -0.124 0.000 0.882 349 Q CB 1.081 29.744 28.738 -0.124 0.000 1.249 349 Q HN 0.146 nan 8.270 nan 0.000 0.438 350 S N 1.990 117.653 115.700 -0.062 0.000 2.338 350 S HA -0.069 4.401 4.470 -0.000 0.000 0.218 350 S C -0.832 173.747 174.600 -0.035 0.000 1.032 350 S CA 1.058 59.232 58.200 -0.043 0.000 0.999 350 S CB -0.708 62.476 63.200 -0.027 0.000 0.905 350 S HN 0.520 nan 8.310 nan 0.000 0.439 351 P HA 0.216 nan 4.420 nan 0.000 0.229 351 P C -0.283 177.012 177.300 -0.008 0.000 1.160 351 P CA 0.408 63.501 63.100 -0.012 0.000 0.777 351 P CB -0.015 31.681 31.700 -0.007 0.000 0.814 352 V N -1.195 118.698 119.914 -0.035 0.000 5.979 352 V HA -0.114 4.006 4.120 -0.000 0.000 0.296 352 V C -2.057 174.057 176.094 0.033 0.000 0.582 352 V CA -0.877 61.409 62.300 -0.025 0.000 0.932 352 V CB -2.536 29.307 31.823 0.033 0.000 1.005 352 V HN 0.270 nan 8.190 nan 0.000 0.511 353 P HA 0.158 nan 4.420 nan 0.000 0.267 353 P C 1.157 178.514 177.300 0.095 0.000 1.201 353 P CA 0.881 64.007 63.100 0.044 0.000 0.775 353 P CB 0.823 32.537 31.700 0.023 0.000 0.854 354 G N 0.449 109.297 108.800 0.079 0.000 3.181 354 G HA2 -0.008 3.952 3.960 -0.000 0.000 0.219 354 G HA3 -0.008 3.952 3.960 -0.000 0.000 0.219 354 G C 0.498 175.459 174.900 0.102 0.000 1.182 354 G CA 0.143 45.296 45.100 0.089 0.000 0.791 354 G HN 0.491 nan 8.290 nan 0.000 0.537 355 Q N 0.276 120.141 119.800 0.108 0.000 2.347 355 Q HA 0.429 4.769 4.340 -0.000 0.000 0.262 355 Q C -1.127 174.983 176.000 0.183 0.000 0.980 355 Q CA -1.009 54.866 55.803 0.119 0.000 0.867 355 Q CB 0.867 29.649 28.738 0.075 0.000 1.242 355 Q HN 0.307 nan 8.270 nan 0.000 0.453 356 Y N 3.142 123.499 120.300 0.095 0.000 2.526 356 Y HA 0.302 4.852 4.550 -0.000 0.000 0.330 356 Y C -0.777 175.202 175.900 0.131 0.000 1.156 356 Y CA 0.511 58.687 58.100 0.125 0.000 1.419 356 Y CB 0.766 39.246 38.460 0.034 0.000 1.250 356 Y HN 0.578 nan 8.280 nan 0.000 0.540 357 D N 4.679 124.803 120.400 -0.460 0.000 2.613 357 D HA 0.323 4.963 4.640 -0.000 0.000 0.230 357 D C 0.277 176.320 176.300 -0.429 0.000 1.365 357 D CA 0.198 53.964 54.000 -0.390 0.000 0.976 357 D CB 1.484 42.219 40.800 -0.107 0.000 1.415 357 D HN 0.752 nan 8.370 nan 0.000 0.589 358 A N 2.637 125.111 122.820 -0.577 0.000 1.869 358 A HA -0.236 4.084 4.320 -0.000 0.000 0.218 358 A C 2.034 179.617 177.584 -0.001 0.000 1.203 358 A CA 2.989 54.873 52.037 -0.254 0.000 0.638 358 A CB -1.257 17.683 19.000 -0.100 0.000 0.831 358 A HN 0.707 nan 8.150 nan 0.000 0.450 359 T N -2.219 112.321 114.554 -0.024 0.000 2.822 359 T HA -0.177 4.173 4.350 -0.000 0.000 0.270 359 T C 1.572 176.283 174.700 0.019 0.000 1.064 359 T CA 1.783 63.887 62.100 0.006 0.000 1.131 359 T CB -0.346 68.511 68.868 -0.017 0.000 0.858 359 T HN 0.498 nan 8.240 nan 0.000 0.483 360 K N -0.101 120.308 120.400 0.014 0.000 2.551 360 K HA 0.150 4.470 4.320 -0.000 0.000 0.192 360 K C -0.902 175.537 176.600 -0.269 0.000 1.027 360 K CA 0.072 56.287 56.287 -0.119 0.000 1.059 360 K CB -0.054 32.340 32.500 -0.177 0.000 0.831 360 K HN 0.403 nan 8.250 nan 0.000 0.508 361 F N 0.264 120.199 119.950 -0.025 0.000 2.565 361 F HA 0.376 4.903 4.527 -0.000 0.000 0.313 361 F C -0.393 175.421 175.800 0.025 0.000 1.091 361 F CA -0.987 57.028 58.000 0.025 0.000 0.915 361 F CB 1.680 40.713 39.000 0.054 0.000 1.208 361 F HN -0.411 nan 8.300 nan 0.000 0.453 362 K N 1.931 122.465 120.400 0.223 0.000 2.185 362 K HA 0.453 4.773 4.320 -0.000 0.000 0.269 362 K C -0.911 175.768 176.600 0.132 0.000 0.987 362 K CA -0.941 55.412 56.287 0.110 0.000 0.865 362 K CB 1.848 34.425 32.500 0.128 0.000 1.090 362 K HN 0.500 nan 8.250 nan 0.000 0.450 363 Q N 2.414 122.180 119.800 -0.056 0.000 2.307 363 Q HA 0.323 4.663 4.340 -0.000 0.000 0.262 363 Q C -1.696 174.201 176.000 -0.171 0.000 0.961 363 Q CA -0.305 55.501 55.803 0.005 0.000 0.882 363 Q CB 0.782 29.521 28.738 0.002 0.000 1.264 363 Q HN 0.392 nan 8.270 nan 0.000 0.446 364 Y N 0.240 120.552 120.300 0.021 0.000 2.562 364 Y HA 0.659 5.209 4.550 -0.000 0.000 0.343 364 Y C -0.304 175.569 175.900 -0.046 0.000 1.025 364 Y CA -0.939 57.155 58.100 -0.009 0.000 1.082 364 Y CB 2.598 41.056 38.460 -0.003 0.000 1.264 364 Y HN 0.496 nan 8.280 nan 0.000 0.478 365 S N 2.336 118.061 115.700 0.042 0.000 2.647 365 S HA 0.682 5.152 4.470 -0.000 0.000 0.300 365 S C -1.325 173.207 174.600 -0.114 0.000 1.129 365 S CA -0.704 57.448 58.200 -0.079 0.000 1.029 365 S CB 0.243 63.303 63.200 -0.233 0.000 1.007 365 S HN 0.530 nan 8.310 nan 0.000 0.484 366 R N 2.898 123.369 120.500 -0.048 0.000 2.686 366 R HA 0.454 4.794 4.340 -0.000 0.000 0.286 366 R C -0.979 175.347 176.300 0.044 0.000 0.969 366 R CA -0.614 55.472 56.100 -0.024 0.000 0.898 366 R CB 1.373 31.669 30.300 -0.007 0.000 1.183 366 R HN 0.870 nan 8.270 nan 0.000 0.456 367 H N 1.060 120.092 119.070 -0.063 0.000 2.622 367 H HA 0.618 5.174 4.556 -0.000 0.000 0.363 367 H C -1.075 174.258 175.328 0.008 0.000 1.151 367 H CA -0.787 55.245 56.048 -0.026 0.000 1.184 367 H CB 2.008 31.758 29.762 -0.020 0.000 1.643 367 H HN 0.183 nan 8.280 nan 0.000 0.531 368 V N 2.861 122.401 119.914 -0.623 0.000 3.046 368 V HA 0.299 4.419 4.120 -0.000 0.000 0.316 368 V C -0.770 175.021 176.094 -0.504 0.000 1.104 368 V CA -0.657 61.417 62.300 -0.376 0.000 1.006 368 V CB 2.146 33.871 31.823 -0.163 0.000 1.058 368 V HN 0.782 nan 8.190 nan 0.000 0.440 369 E N 1.477 121.584 120.200 -0.156 0.000 2.304 369 E HA 0.450 4.800 4.350 -0.000 0.000 0.277 369 E C -1.349 175.310 176.600 0.099 0.000 0.898 369 E CA -0.429 55.964 56.400 -0.012 0.000 0.764 369 E CB 1.842 31.655 29.700 0.189 0.000 1.216 369 E HN 0.718 nan 8.360 nan 0.000 0.419 370 E N 4.202 124.372 120.200 -0.050 0.000 2.255 370 E HA 0.325 4.675 4.350 -0.000 0.000 0.256 370 E C -1.314 175.160 176.600 -0.210 0.000 0.887 370 E CA -0.502 55.887 56.400 -0.018 0.000 0.782 370 E CB 0.679 30.352 29.700 -0.045 0.000 1.214 370 E HN 0.422 nan 8.360 nan 0.000 0.417 371 Y N 1.674 121.928 120.300 -0.078 0.000 2.602 371 Y HA 0.486 5.036 4.550 -0.000 0.000 0.330 371 Y C -0.037 175.726 175.900 -0.228 0.000 1.114 371 Y CA -0.647 57.325 58.100 -0.214 0.000 1.182 371 Y CB 1.649 39.886 38.460 -0.371 0.000 1.305 371 Y HN 0.460 nan 8.280 nan 0.000 0.502 372 D N 1.056 121.381 120.400 -0.125 0.000 2.931 372 D HA 0.258 4.898 4.640 -0.000 0.000 0.215 372 D C -2.024 174.123 176.300 -0.255 0.000 1.297 372 D CA -0.241 53.664 54.000 -0.158 0.000 0.892 372 D CB 1.172 41.906 40.800 -0.112 0.000 1.642 372 D HN 0.530 nan 8.370 nan 0.000 0.560 373 L N 2.504 123.550 121.223 -0.296 0.000 2.307 373 L HA 0.504 4.844 4.340 -0.000 0.000 0.284 373 L C 0.103 176.714 176.870 -0.432 0.000 1.023 373 L CA -0.668 53.920 54.840 -0.420 0.000 0.810 373 L CB 1.855 43.732 42.059 -0.303 0.000 1.231 373 L HN 0.316 nan 8.230 nan 0.000 0.423 374 Q N 2.966 122.318 119.800 -0.747 0.000 2.372 374 Q HA 0.680 5.020 4.340 -0.000 0.000 0.273 374 Q C -1.660 173.687 176.000 -1.089 0.000 1.078 374 Q CA -0.599 54.810 55.803 -0.657 0.000 0.806 374 Q CB 3.060 31.559 28.738 -0.398 0.000 1.332 374 Q HN 0.349 nan 8.270 nan 0.000 0.435 375 F N 0.732 120.266 119.950 -0.694 0.000 2.629 375 F HA 0.580 5.107 4.527 -0.000 0.000 0.316 375 F C -0.607 174.623 175.800 -0.949 0.000 1.081 375 F CA -1.078 56.414 58.000 -0.847 0.000 0.954 375 F CB 1.333 39.635 39.000 -1.162 0.000 1.337 375 F HN 0.272 nan 8.300 nan 0.000 0.474 376 I N 2.232 122.408 120.570 -0.656 0.000 2.436 376 I HA 0.397 4.567 4.170 -0.000 0.000 0.289 376 I C -1.032 174.755 176.117 -0.550 0.000 1.010 376 I CA -1.097 59.854 61.300 -0.581 0.000 1.098 376 I CB 1.226 38.899 38.000 -0.545 0.000 1.266 376 I HN 0.440 nan 8.210 nan 0.000 0.434 377 F N 3.854 123.671 119.950 -0.221 0.000 2.522 377 F HA 0.497 5.024 4.527 -0.000 0.000 0.324 377 F C 0.388 176.269 175.800 0.136 0.000 1.077 377 F CA -0.739 57.184 58.000 -0.128 0.000 0.944 377 F CB 1.987 40.702 39.000 -0.475 0.000 1.175 377 F HN 0.346 nan 8.300 nan 0.000 0.468 378 Q N 2.984 123.064 119.800 0.467 0.000 2.331 378 Q HA 0.463 4.803 4.340 -0.000 0.000 0.267 378 Q C -1.508 174.707 176.000 0.357 0.000 1.006 378 Q CA -1.132 54.822 55.803 0.252 0.000 0.818 378 Q CB 1.948 30.766 28.738 0.133 0.000 1.276 378 Q HN 0.698 nan 8.270 nan 0.000 0.450 379 L N 3.994 125.387 121.223 0.283 0.000 2.367 379 L HA 0.366 4.706 4.340 -0.000 0.000 0.275 379 L C -1.325 175.476 176.870 -0.115 0.000 1.129 379 L CA 0.335 55.196 54.840 0.035 0.000 0.839 379 L CB 0.663 42.714 42.059 -0.013 0.000 1.133 379 L HN 0.803 nan 8.230 nan 0.000 0.453 380 C N 2.105 121.285 119.300 -0.201 0.000 2.848 380 C HA 0.874 5.334 4.460 -0.000 0.000 0.317 380 C C -0.058 174.806 174.990 -0.210 0.000 1.260 380 C CA -0.451 58.471 59.018 -0.160 0.000 1.656 380 C CB 2.106 29.774 27.740 -0.119 0.000 2.174 380 C HN 0.894 nan 8.230 nan 0.000 0.479 381 T N -0.488 113.989 114.554 -0.128 0.000 2.861 381 T HA 0.771 5.121 4.350 -0.000 0.000 0.287 381 T C -1.068 173.618 174.700 -0.022 0.000 1.003 381 T CA -0.378 61.660 62.100 -0.103 0.000 0.977 381 T CB 0.820 69.662 68.868 -0.043 0.000 0.996 381 T HN 0.498 nan 8.240 nan 0.000 0.448 382 I N 2.659 123.223 120.570 -0.010 0.000 2.382 382 I HA 0.287 4.457 4.170 -0.000 0.000 0.286 382 I C 0.068 176.224 176.117 0.064 0.000 1.002 382 I CA -0.790 60.567 61.300 0.095 0.000 1.135 382 I CB 2.000 40.122 38.000 0.204 0.000 1.288 382 I HN 0.680 nan 8.210 nan 0.000 0.448 383 T N 7.381 121.988 114.554 0.088 0.000 2.737 383 T HA 0.355 4.705 4.350 -0.000 0.000 0.296 383 T C 0.243 174.991 174.700 0.080 0.000 0.922 383 T CA -0.334 61.802 62.100 0.060 0.000 1.079 383 T CB 0.229 69.128 68.868 0.053 0.000 0.892 383 T HN 0.293 nan 8.240 nan 0.000 0.514 384 L N 5.283 126.543 121.223 0.061 0.000 2.342 384 L HA 0.289 4.629 4.340 -0.000 0.000 0.285 384 L C 1.340 178.248 176.870 0.063 0.000 1.095 384 L CA -0.489 54.404 54.840 0.088 0.000 0.843 384 L CB -0.336 41.776 42.059 0.089 0.000 1.201 384 L HN 0.748 nan 8.230 nan 0.000 0.445 385 T N -0.746 113.847 114.554 0.064 0.000 2.870 385 T HA 0.600 4.950 4.350 -0.000 0.000 0.277 385 T C 1.166 175.890 174.700 0.040 0.000 1.000 385 T CA -0.074 62.052 62.100 0.043 0.000 0.982 385 T CB 1.787 70.677 68.868 0.037 0.000 1.249 385 T HN 0.386 nan 8.240 nan 0.000 0.589 386 A N 1.322 124.159 122.820 0.029 0.000 1.849 386 A HA -0.142 4.178 4.320 -0.000 0.000 0.217 386 A C 1.859 179.459 177.584 0.027 0.000 1.202 386 A CA 2.432 54.484 52.037 0.025 0.000 0.629 386 A CB -1.581 17.430 19.000 0.018 0.000 0.834 386 A HN 1.006 nan 8.150 nan 0.000 0.447 387 D N -0.782 119.633 120.400 0.024 0.000 2.277 387 D HA -0.017 4.623 4.640 -0.000 0.000 0.208 387 D C 1.438 177.758 176.300 0.034 0.000 0.962 387 D CA 0.979 54.995 54.000 0.027 0.000 0.865 387 D CB -0.600 40.210 40.800 0.016 0.000 0.939 387 D HN 0.203 nan 8.370 nan 0.000 0.510 388 V N 0.237 120.167 119.914 0.026 0.000 2.427 388 V HA -0.174 3.946 4.120 -0.000 0.000 0.248 388 V C 2.527 178.655 176.094 0.057 0.000 1.051 388 V CA 1.515 63.823 62.300 0.014 0.000 1.048 388 V CB -0.441 31.414 31.823 0.054 0.000 0.666 388 V HN 0.196 nan 8.190 nan 0.000 0.456 389 M N 0.393 120.029 119.600 0.061 0.000 2.156 389 M HA -0.124 4.356 4.480 -0.000 0.000 0.264 389 M C 2.418 178.725 176.300 0.011 0.000 1.067 389 M CA 1.939 57.270 55.300 0.051 0.000 1.131 389 M CB -0.248 32.384 32.600 0.054 0.000 1.368 389 M HN 0.539 nan 8.290 nan 0.000 0.416 390 S N -0.688 115.024 115.700 0.019 0.000 2.447 390 S HA -0.188 4.282 4.470 -0.000 0.000 0.233 390 S C 1.752 176.346 174.600 -0.009 0.000 1.006 390 S CA 0.802 59.000 58.200 -0.003 0.000 0.957 390 S CB -0.811 62.396 63.200 0.011 0.000 0.773 390 S HN 0.606 nan 8.310 nan 0.000 0.507 391 Y N 2.307 122.546 120.300 -0.102 0.000 2.153 391 Y HA 0.136 4.686 4.550 -0.000 0.000 0.289 391 Y C 1.959 177.753 175.900 -0.177 0.000 1.127 391 Y CA 1.277 59.298 58.100 -0.131 0.000 1.131 391 Y CB -0.437 37.906 38.460 -0.196 0.000 0.995 391 Y HN 0.191 nan 8.280 nan 0.000 0.505 392 I N 0.607 121.101 120.570 -0.127 0.000 2.399 392 I HA -0.327 3.843 4.170 -0.000 0.000 0.254 392 I C 2.338 178.251 176.117 -0.339 0.000 1.146 392 I CA 1.633 62.760 61.300 -0.287 0.000 1.412 392 I CB -0.439 37.447 38.000 -0.189 0.000 1.076 392 I HN 0.344 nan 8.210 nan 0.000 0.432 393 Q N 1.007 120.667 119.800 -0.233 0.000 2.046 393 Q HA -0.145 4.194 4.340 -0.000 0.000 0.200 393 Q C 2.253 178.112 176.000 -0.236 0.000 0.975 393 Q CA 2.323 58.003 55.803 -0.205 0.000 0.836 393 Q CB -0.076 28.588 28.738 -0.123 0.000 0.896 393 Q HN 0.439 nan 8.270 nan 0.000 0.428 394 S N 0.001 115.550 115.700 -0.252 0.000 2.395 394 S HA -0.073 4.397 4.470 -0.000 0.000 0.225 394 S C 1.789 176.217 174.600 -0.287 0.000 1.027 394 S CA 1.003 59.077 58.200 -0.210 0.000 0.965 394 S CB -0.358 62.754 63.200 -0.148 0.000 0.812 394 S HN 0.527 nan 8.310 nan 0.000 0.482 395 M N 1.683 120.984 119.600 -0.498 0.000 2.084 395 M HA -0.098 4.382 4.480 -0.000 0.000 0.259 395 M C 0.451 176.371 176.300 -0.633 0.000 1.072 395 M CA 1.658 56.502 55.300 -0.760 0.000 1.107 395 M CB -0.028 32.004 32.600 -0.946 0.000 1.299 395 M HN 0.288 nan 8.290 nan 0.000 0.413 396 N N -0.314 118.076 118.700 -0.518 0.000 2.747 396 N HA 0.100 4.840 4.740 -0.000 0.000 0.262 396 N C 0.359 175.672 175.510 -0.327 0.000 1.261 396 N CA 0.257 53.077 53.050 -0.383 0.000 0.809 396 N CB 0.960 39.217 38.487 -0.383 0.000 1.450 396 N HN 0.376 nan 8.380 nan 0.000 0.560 397 S N 1.245 116.794 115.700 -0.251 0.000 2.372 397 S HA -0.294 4.176 4.470 -0.000 0.000 0.227 397 S C 2.005 176.468 174.600 -0.229 0.000 1.044 397 S CA 1.992 60.062 58.200 -0.218 0.000 1.050 397 S CB -0.744 62.362 63.200 -0.156 0.000 0.901 397 S HN 0.679 nan 8.310 nan 0.000 0.447 398 S N 2.552 118.147 115.700 -0.174 0.000 2.423 398 S HA -0.127 4.343 4.470 -0.000 0.000 0.238 398 S C 1.753 176.173 174.600 -0.301 0.000 1.028 398 S CA 1.436 59.559 58.200 -0.129 0.000 1.000 398 S CB -1.080 62.143 63.200 0.039 0.000 0.797 398 S HN 0.616 nan 8.310 nan 0.000 0.487 399 I N 1.046 121.358 120.570 -0.429 0.000 2.179 399 I HA -0.147 4.023 4.170 -0.000 0.000 0.242 399 I C 2.431 177.878 176.117 -1.116 0.000 1.088 399 I CA 1.360 62.162 61.300 -0.830 0.000 1.357 399 I CB -0.366 37.142 38.000 -0.821 0.000 1.051 399 I HN 0.300 nan 8.210 nan 0.000 0.409 400 L N 0.132 120.921 121.223 -0.724 0.000 2.217 400 L HA -0.167 4.173 4.340 -0.000 0.000 0.211 400 L C 2.406 179.116 176.870 -0.266 0.000 1.107 400 L CA 1.074 55.636 54.840 -0.463 0.000 0.783 400 L CB -0.311 41.615 42.059 -0.221 0.000 0.919 400 L HN 0.236 nan 8.230 nan 0.000 0.442 401 E N -0.062 119.979 120.200 -0.265 0.000 2.046 401 E HA -0.206 4.144 4.350 -0.000 0.000 0.190 401 E C 1.512 178.037 176.600 -0.124 0.000 0.982 401 E CA 1.111 57.424 56.400 -0.145 0.000 0.800 401 E CB 0.170 29.797 29.700 -0.123 0.000 0.756 401 E HN 0.383 nan 8.360 nan 0.000 0.449 402 D N -0.517 119.749 120.400 -0.223 0.000 2.309 402 D HA -0.159 4.481 4.640 -0.000 0.000 0.212 402 D C 0.799 177.138 176.300 0.066 0.000 0.968 402 D CA 0.648 54.574 54.000 -0.124 0.000 0.882 402 D CB -0.091 40.565 40.800 -0.239 0.000 0.918 402 D HN 0.376 nan 8.370 nan 0.000 0.503 403 W N 1.292 122.551 121.300 -0.068 0.000 3.353 403 W HA 0.195 4.855 4.660 -0.000 0.000 0.304 403 W C 0.480 176.982 176.519 -0.027 0.000 1.273 403 W CA -0.550 56.771 57.345 -0.039 0.000 1.773 403 W CB -1.007 28.438 29.460 -0.026 0.000 1.095 403 W HN -0.131 nan 8.180 nan 0.000 0.676 439 K N 0.916 121.309 120.400 -0.011 0.000 2.253 439 K HA 0.231 4.551 4.320 -0.000 0.000 0.277 439 K C -0.777 175.799 176.600 -0.040 0.000 1.053 439 K CA -0.393 55.882 56.287 -0.020 0.000 0.892 439 K CB 0.528 33.011 32.500 -0.027 0.000 1.102 439 K HN 0.337 nan 8.250 nan 0.000 0.469 440 D N 4.936 125.316 120.400 -0.032 0.000 2.312 440 D HA 0.078 4.718 4.640 -0.000 0.000 0.252 440 D C -1.494 174.721 176.300 -0.142 0.000 1.150 440 D CA -1.809 52.150 54.000 -0.069 0.000 0.870 440 D CB 1.362 42.171 40.800 0.016 0.000 1.153 440 D HN 0.292 nan 8.370 nan 0.000 0.457 441 P HA -0.122 nan 4.420 nan 0.000 0.225 441 P C 0.399 177.504 177.300 -0.325 0.000 1.148 441 P CA 0.916 63.781 63.100 -0.391 0.000 0.779 441 P CB -0.096 31.252 31.700 -0.586 0.000 0.780 442 Y N -0.617 119.730 120.300 0.079 0.000 2.571 442 Y HA 0.154 4.704 4.550 -0.000 0.000 0.275 442 Y C 1.373 177.351 175.900 0.130 0.000 1.179 442 Y CA -0.554 57.640 58.100 0.157 0.000 1.242 442 Y CB -0.254 38.416 38.460 0.349 0.000 1.126 442 Y HN -0.136 nan 8.280 nan 0.000 0.524 443 D N 0.225 120.710 120.400 0.142 0.000 2.363 443 D HA -0.056 4.584 4.640 -0.000 0.000 0.226 443 D C 1.591 177.924 176.300 0.055 0.000 1.020 443 D CA 0.748 54.810 54.000 0.102 0.000 0.892 443 D CB 0.262 41.096 40.800 0.057 0.000 0.900 443 D HN 0.265 nan 8.370 nan 0.000 0.531 444 K N -0.288 120.137 120.400 0.042 0.000 2.308 444 K HA 0.157 4.477 4.320 -0.000 0.000 0.197 444 K C 0.872 177.440 176.600 -0.055 0.000 1.049 444 K CA 0.092 56.377 56.287 -0.003 0.000 0.991 444 K CB 0.834 33.333 32.500 -0.003 0.000 0.836 444 K HN 0.168 nan 8.250 nan 0.000 0.500 445 L N 2.010 123.179 121.223 -0.091 0.000 2.421 445 L HA 0.214 4.554 4.340 -0.000 0.000 0.263 445 L C 0.363 176.933 176.870 -0.499 0.000 1.122 445 L CA -0.861 53.803 54.840 -0.292 0.000 0.804 445 L CB 0.368 42.194 42.059 -0.388 0.000 1.150 445 L HN -0.247 nan 8.230 nan 0.000 0.457 446 K N 2.231 122.329 120.400 -0.504 0.000 2.276 446 K HA 0.530 4.850 4.320 -0.000 0.000 0.283 446 K C -0.911 175.340 176.600 -0.582 0.000 1.044 446 K CA 0.232 56.270 56.287 -0.415 0.000 0.944 446 K CB 0.742 33.123 32.500 -0.197 0.000 1.012 446 K HN 0.330 nan 8.250 nan 0.000 0.472 447 F N 0.365 120.349 119.950 0.057 0.000 2.613 447 F HA 0.270 4.797 4.527 -0.000 0.000 0.314 447 F C -0.217 175.653 175.800 0.117 0.000 1.075 447 F CA -1.278 56.770 58.000 0.080 0.000 0.945 447 F CB 1.567 40.634 39.000 0.111 0.000 1.310 447 F HN 0.385 nan 8.300 nan 0.000 0.467 448 W N 4.538 125.890 121.300 0.086 0.000 2.357 448 W HA 0.293 4.953 4.660 -0.000 0.000 0.317 448 W C -1.077 175.495 176.519 0.088 0.000 1.101 448 W CA -1.035 56.313 57.345 0.005 0.000 1.380 448 W CB 0.324 29.658 29.460 -0.210 0.000 1.266 448 W HN 0.427 nan 8.180 nan 0.000 0.419 449 N N 5.181 124.169 118.700 0.479 0.000 2.422 449 N HA 0.140 4.880 4.740 -0.000 0.000 0.264 449 N C -0.926 174.776 175.510 0.321 0.000 1.063 449 N CA -0.204 53.021 53.050 0.292 0.000 0.959 449 N CB 2.089 40.688 38.487 0.188 0.000 1.087 449 N HN 0.047 nan 8.380 nan 0.000 0.483 450 V N 2.426 122.454 119.914 0.189 0.000 2.333 450 V HA 0.061 4.181 4.120 -0.000 0.000 0.274 450 V C 0.280 176.407 176.094 0.055 0.000 1.028 450 V CA -0.723 61.653 62.300 0.126 0.000 0.851 450 V CB 1.191 33.043 31.823 0.049 0.000 1.000 450 V HN 0.536 nan 8.190 nan 0.000 0.456 451 D N 5.249 125.689 120.400 0.067 0.000 2.313 451 D HA 0.264 4.904 4.640 -0.000 0.000 0.239 451 D C 0.271 176.587 176.300 0.026 0.000 1.142 451 D CA -0.167 53.850 54.000 0.028 0.000 0.847 451 D CB 1.549 42.374 40.800 0.041 0.000 1.082 451 D HN 0.476 nan 8.370 nan 0.000 0.480 452 L N 3.943 125.165 121.223 -0.002 0.000 2.872 452 L HA 0.195 4.535 4.340 -0.000 0.000 0.245 452 L C 1.790 178.672 176.870 0.020 0.000 1.211 452 L CA -0.205 54.665 54.840 0.050 0.000 1.013 452 L CB 0.243 42.358 42.059 0.094 0.000 1.326 452 L HN 0.169 nan 8.230 nan 0.000 0.525 453 K N 0.274 120.636 120.400 -0.064 0.000 2.288 453 K HA -0.025 4.295 4.320 -0.000 0.000 0.201 453 K C 0.728 177.284 176.600 -0.073 0.000 1.048 453 K CA 0.742 56.927 56.287 -0.170 0.000 0.956 453 K CB 0.251 32.678 32.500 -0.121 0.000 0.746 453 K HN 0.202 nan 8.250 nan 0.000 0.461 454 E N 0.685 120.907 120.200 0.036 0.000 2.499 454 E HA 0.089 4.439 4.350 -0.000 0.000 0.207 454 E C 0.083 176.772 176.600 0.148 0.000 1.034 454 E CA 0.122 56.581 56.400 0.098 0.000 1.098 454 E CB 0.665 30.419 29.700 0.090 0.000 1.148 454 E HN 0.168 nan 8.360 nan 0.000 0.447 455 K N 0.188 120.706 120.400 0.198 0.000 2.553 455 K HA 0.191 4.511 4.320 -0.000 0.000 0.205 455 K C -0.043 176.755 176.600 0.331 0.000 1.168 455 K CA -0.307 56.117 56.287 0.229 0.000 1.043 455 K CB 0.721 33.321 32.500 0.166 0.000 0.967 455 K HN -0.069 nan 8.250 nan 0.000 0.585 456 F N 1.672 121.650 119.950 0.047 0.000 2.429 456 F HA 0.256 4.783 4.527 -0.000 0.000 0.348 456 F C 0.943 176.933 175.800 0.317 0.000 1.109 456 F CA -0.353 57.717 58.000 0.118 0.000 1.232 456 F CB 1.296 40.272 39.000 -0.040 0.000 1.157 456 F HN -0.229 nan 8.300 nan 0.000 0.564 457 S N 2.760 118.722 115.700 0.437 0.000 2.569 457 S HA 0.584 5.054 4.470 -0.000 0.000 0.280 457 S C 0.186 174.912 174.600 0.211 0.000 1.111 457 S CA -0.632 57.778 58.200 0.350 0.000 0.887 457 S CB 1.142 64.497 63.200 0.259 0.000 1.095 457 S HN 0.656 nan 8.310 nan 0.000 0.476 458 L N 1.372 122.651 121.223 0.093 0.000 2.556 458 L HA 0.258 4.598 4.340 -0.000 0.000 0.226 458 L C -0.323 176.540 176.870 -0.012 0.000 1.089 458 L CA 0.221 54.980 54.840 -0.136 0.000 0.864 458 L CB 0.097 42.050 42.059 -0.177 0.000 1.067 458 L HN 0.643 nan 8.230 nan 0.000 0.477 459 D N 0.317 120.765 120.400 0.080 0.000 2.522 459 D HA 0.120 4.760 4.640 -0.000 0.000 0.218 459 D C 1.334 177.722 176.300 0.147 0.000 1.149 459 D CA -0.238 53.813 54.000 0.085 0.000 0.981 459 D CB 0.136 40.969 40.800 0.054 0.000 1.041 459 D HN 0.050 nan 8.370 nan 0.000 0.518 460 L N 0.306 121.617 121.223 0.146 0.000 2.089 460 L HA -0.246 4.094 4.340 -0.000 0.000 0.213 460 L C 2.167 179.135 176.870 0.163 0.000 1.079 460 L CA 1.615 56.572 54.840 0.195 0.000 0.758 460 L CB -0.556 41.604 42.059 0.168 0.000 0.891 460 L HN 0.395 nan 8.230 nan 0.000 0.433 461 D N 0.176 120.627 120.400 0.086 0.000 2.254 461 D HA -0.245 4.395 4.640 -0.000 0.000 0.201 461 D C 1.777 178.049 176.300 -0.046 0.000 0.998 461 D CA 1.361 55.377 54.000 0.027 0.000 0.885 461 D CB 0.099 40.905 40.800 0.010 0.000 0.915 461 D HN 0.461 nan 8.370 nan 0.000 0.460 462 Q N -0.841 118.884 119.800 -0.126 0.000 2.403 462 Q HA 0.009 4.349 4.340 -0.000 0.000 0.203 462 Q C -0.333 175.278 176.000 -0.649 0.000 0.932 462 Q CA 0.312 55.887 55.803 -0.380 0.000 0.945 462 Q CB 0.299 28.702 28.738 -0.559 0.000 1.045 462 Q HN 0.470 nan 8.270 nan 0.000 0.511 463 Y N -0.226 119.989 120.300 -0.143 0.000 2.499 463 Y HA 0.232 4.782 4.550 -0.000 0.000 0.347 463 Y C -1.533 174.338 175.900 -0.047 0.000 0.987 463 Y CA -2.483 55.505 58.100 -0.187 0.000 1.044 463 Y CB 1.354 39.470 38.460 -0.574 0.000 1.245 463 Y HN -0.166 nan 8.280 nan 0.000 0.461 464 P HA -0.255 nan 4.420 nan 0.000 0.213 464 P C 1.737 179.122 177.300 0.141 0.000 1.176 464 P CA 1.633 64.791 63.100 0.097 0.000 0.919 464 P CB 0.555 32.295 31.700 0.066 0.000 0.791 465 L N -0.699 120.627 121.223 0.171 0.000 2.079 465 L HA -0.125 4.215 4.340 -0.000 0.000 0.210 465 L C 2.635 179.674 176.870 0.281 0.000 1.081 465 L CA 2.053 56.989 54.840 0.159 0.000 0.752 465 L CB -1.313 40.774 42.059 0.047 0.000 0.896 465 L HN 0.060 nan 8.230 nan 0.000 0.433 466 G N -0.297 108.696 108.800 0.322 0.000 2.491 466 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.218 466 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.218 466 G C 1.618 176.661 174.900 0.239 0.000 1.180 466 G CA 0.821 46.097 45.100 0.293 0.000 0.774 466 G HN 0.354 nan 8.290 nan 0.000 0.562 467 R N 0.327 120.926 120.500 0.166 0.000 2.066 467 R HA 0.058 4.398 4.340 -0.000 0.000 0.232 467 R C 2.674 179.032 176.300 0.097 0.000 1.131 467 R CA 1.233 57.391 56.100 0.097 0.000 0.955 467 R CB -0.305 30.025 30.300 0.050 0.000 0.851 467 R HN 0.259 nan 8.270 nan 0.000 0.432 468 K N 0.119 120.605 120.400 0.144 0.000 2.127 468 K HA -0.225 4.095 4.320 -0.000 0.000 0.208 468 K C 1.878 178.559 176.600 0.135 0.000 1.047 468 K CA 1.690 58.088 56.287 0.185 0.000 0.927 468 K CB -0.295 32.372 32.500 0.279 0.000 0.716 468 K HN 0.138 nan 8.250 nan 0.000 0.450 469 F N 1.411 121.380 119.950 0.032 0.000 2.206 469 F HA -0.078 4.449 4.527 -0.000 0.000 0.298 469 F C 1.677 177.261 175.800 -0.361 0.000 1.090 469 F CA 1.006 58.810 58.000 -0.326 0.000 1.323 469 F CB -0.023 38.874 39.000 -0.171 0.000 1.028 469 F HN -0.117 nan 8.300 nan 0.000 0.492 470 L N -0.766 120.352 121.223 -0.173 0.000 2.072 470 L HA -0.174 4.166 4.340 -0.000 0.000 0.205 470 L C 2.396 179.075 176.870 -0.318 0.000 1.079 470 L CA 0.827 55.513 54.840 -0.257 0.000 0.752 470 L CB -0.824 41.206 42.059 -0.049 0.000 0.906 470 L HN -0.005 nan 8.230 nan 0.000 0.436 471 V N -0.204 119.578 119.914 -0.220 0.000 2.219 471 V HA -0.369 3.751 4.120 -0.000 0.000 0.248 471 V C 2.531 178.446 176.094 -0.298 0.000 1.053 471 V CA 2.157 64.341 62.300 -0.195 0.000 1.009 471 V CB -0.716 31.039 31.823 -0.113 0.000 0.636 471 V HN 0.564 nan 8.190 nan 0.000 0.445 472 Q N -0.003 119.542 119.800 -0.424 0.000 2.248 472 Q HA -0.229 4.111 4.340 -0.000 0.000 0.208 472 Q C 2.039 177.684 176.000 -0.591 0.000 0.984 472 Q CA 2.062 57.542 55.803 -0.538 0.000 0.875 472 Q CB -0.234 27.956 28.738 -0.914 0.000 0.910 472 Q HN 0.667 nan 8.270 nan 0.000 0.433 473 A N -1.002 121.401 122.820 -0.694 0.000 2.169 473 A HA 0.265 4.585 4.320 -0.000 0.000 0.212 473 A C 1.580 178.963 177.584 -0.335 0.000 1.153 473 A CA 1.442 53.121 52.037 -0.596 0.000 0.756 473 A CB -0.105 18.454 19.000 -0.735 0.000 0.813 473 A HN 0.594 nan 8.150 nan 0.000 0.471 474 G N -0.478 108.157 108.800 -0.275 0.000 3.211 474 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.206 474 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.206 474 G C 0.533 175.350 174.900 -0.138 0.000 1.418 474 G CA -0.140 44.856 45.100 -0.174 0.000 0.958 474 G HN 1.084 nan 8.290 nan 0.000 0.567 475 L N 0.000 121.145 121.223 -0.130 0.000 2.949 475 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 475 L CA 0.000 54.786 54.840 -0.090 0.000 0.813 475 L CB 0.000 42.018 42.059 -0.068 0.000 0.961 475 L HN 0.000 nan 8.230 nan 0.000 0.502