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 3a16_1_A DATA FIRST_RESID 1 DATA SEQUENCE MESAIGEHLQ CPRTLTRRVP DTYTPPFPMW VGRADDALQQ VVMGYLGVQF DATA SEQUENCE RDEDQRPAAL QAMRDIVAGF DLPDGPAHHD LTHHIDNQGY ENLIVVGYWK DATA SEQUENCE DVSSQHRWST STPIASWWES EDRLSDGLGF FREIVAPRAE QFETLYAFQE DATA SEQUENCE DLPGVGAVMD GISGEINEHG YWGSMRERFP ISQTDWMQAS GELRVIAGDP DATA SEQUENCE AVGGRVVVRG HDNIALIRSG QDWADAEADE RSLYLDEILP TLQSGMDFLR DATA SEQUENCE DNGPAVGCYS NRFVRNIDID GNFLDLSYNI GHWASLDQLE RWSESHPTHL DATA SEQUENCE RIFTTFFRVA AGLSKLRLYH EVSVFDAADQ LYEYINCHPG TGMLRDAVTI DATA SEQUENCE AEH VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.300 176.300 -0.000 0.000 1.140 1 M CA 0.000 55.293 55.300 -0.011 0.000 0.988 1 M CB 0.000 32.586 32.600 -0.023 0.000 1.302 2 E N 1.079 121.281 120.200 0.003 0.000 2.415 2 E HA 0.231 4.376 4.350 -0.342 0.000 0.262 2 E C -0.495 176.110 176.600 0.009 0.000 1.038 2 E CA 0.093 56.499 56.400 0.010 0.000 0.921 2 E CB 1.211 30.924 29.700 0.022 0.000 0.950 2 E HN 0.420 nan 8.360 nan 0.000 0.438 3 S N 0.751 116.456 115.700 0.007 0.000 2.617 3 S HA 0.384 4.649 4.470 -0.342 0.000 0.283 3 S C 0.730 175.327 174.600 -0.005 0.000 1.189 3 S CA -0.090 58.112 58.200 0.003 0.000 1.036 3 S CB 1.486 64.682 63.200 -0.006 0.000 1.014 3 S HN 0.562 nan 8.310 nan 0.000 0.522 4 A N 4.044 126.857 122.820 -0.011 0.000 2.066 4 A HA 0.238 4.352 4.320 -0.342 0.000 0.218 4 A C 0.807 178.354 177.584 -0.062 0.000 1.157 4 A CA 0.603 52.622 52.037 -0.031 0.000 0.670 4 A CB -0.589 18.387 19.000 -0.040 0.000 0.804 4 A HN 0.802 nan 8.150 nan 0.000 0.453 5 I N 1.213 121.744 120.570 -0.066 0.000 2.396 5 I HA 0.233 4.198 4.170 -0.342 0.000 0.289 5 I C 1.172 177.225 176.117 -0.107 0.000 1.056 5 I CA -0.473 60.765 61.300 -0.103 0.000 1.365 5 I CB 0.871 38.816 38.000 -0.091 0.000 1.407 5 I HN 0.240 nan 8.210 nan 0.000 0.509 6 G N 4.541 113.249 108.800 -0.153 0.000 2.391 6 G HA2 -0.080 3.674 3.960 -0.342 0.000 0.234 6 G HA3 -0.080 3.674 3.960 -0.342 0.000 0.234 6 G C 0.871 175.672 174.900 -0.165 0.000 1.284 6 G CA -0.236 44.779 45.100 -0.141 0.000 0.873 6 G HN 0.874 nan 8.290 nan 0.000 0.549 7 E N 1.019 121.204 120.200 -0.026 0.000 2.097 7 E HA -0.289 3.855 4.350 -0.342 0.000 0.196 7 E C 1.907 178.501 176.600 -0.010 0.000 1.000 7 E CA 1.709 58.109 56.400 0.001 0.000 0.804 7 E CB -0.138 29.595 29.700 0.055 0.000 0.740 7 E HN 0.846 nan 8.360 nan 0.000 0.454 8 H N -0.590 118.474 119.070 -0.010 0.000 2.546 8 H HA -0.007 4.343 4.556 -0.343 0.000 0.277 8 H C 1.720 177.042 175.328 -0.011 0.000 1.004 8 H CA 0.525 56.569 56.048 -0.007 0.000 1.231 8 H CB -0.175 29.585 29.762 -0.003 0.000 1.382 8 H HN 0.251 nan 8.280 nan 0.000 0.580 9 L N 0.652 121.608 121.223 -0.445 0.000 2.640 9 L HA 0.153 4.287 4.340 -0.342 0.000 0.230 9 L C 0.367 177.146 176.870 -0.153 0.000 1.123 9 L CA -0.068 54.596 54.840 -0.293 0.000 0.900 9 L CB 0.227 42.056 42.059 -0.383 0.000 1.146 9 L HN 0.086 nan 8.230 nan 0.000 0.484 10 Q N 0.954 120.684 119.800 -0.117 0.000 2.313 10 Q HA 0.264 4.398 4.340 -0.342 0.000 0.266 10 Q C -0.406 175.566 176.000 -0.047 0.000 0.989 10 Q CA -0.113 55.648 55.803 -0.071 0.000 0.890 10 Q CB 1.381 30.088 28.738 -0.052 0.000 1.200 10 Q HN 0.406 nan 8.270 nan 0.000 0.396 11 C N 0.590 119.863 119.300 -0.044 0.000 3.236 11 C HA 0.741 4.996 4.460 -0.342 0.000 0.312 11 C C -2.756 172.215 174.990 -0.033 0.000 1.374 11 C CA -2.465 56.533 59.018 -0.033 0.000 1.455 11 C CB 0.540 28.260 27.740 -0.033 0.000 1.834 11 C HN 0.581 nan 8.230 nan 0.000 0.460 12 P HA 0.301 nan 4.420 nan 0.000 0.267 12 P C -0.485 176.791 177.300 -0.039 0.000 1.205 12 P CA 0.421 63.504 63.100 -0.028 0.000 0.765 12 P CB 0.296 31.984 31.700 -0.020 0.000 0.828 13 R N 1.283 121.756 120.500 -0.045 0.000 2.357 13 R HA 0.260 4.395 4.340 -0.342 0.000 0.296 13 R C 1.239 177.500 176.300 -0.065 0.000 1.052 13 R CA -0.049 56.013 56.100 -0.064 0.000 0.988 13 R CB 0.619 30.880 30.300 -0.066 0.000 1.025 13 R HN 0.525 nan 8.270 nan 0.000 0.469 14 T N -0.604 113.895 114.554 -0.091 0.000 3.015 14 T HA 0.227 4.372 4.350 -0.342 0.000 0.250 14 T C 0.703 175.324 174.700 -0.132 0.000 1.057 14 T CA 0.066 62.113 62.100 -0.089 0.000 1.066 14 T CB 0.307 69.127 68.868 -0.080 0.000 0.959 14 T HN 0.238 nan 8.240 nan 0.000 0.488 15 L N 2.550 123.654 121.223 -0.200 0.000 2.365 15 L HA 0.629 4.764 4.340 -0.342 0.000 0.273 15 L C 0.001 176.764 176.870 -0.179 0.000 1.000 15 L CA -1.038 53.636 54.840 -0.277 0.000 0.819 15 L CB 2.267 43.992 42.059 -0.557 0.000 1.284 15 L HN 0.198 nan 8.230 nan 0.000 0.418 16 T N -0.991 113.487 114.554 -0.127 0.000 2.949 16 T HA 0.593 4.738 4.350 -0.342 0.000 0.287 16 T C 0.155 174.822 174.700 -0.054 0.000 1.034 16 T CA -0.990 61.066 62.100 -0.074 0.000 1.018 16 T CB 1.758 70.600 68.868 -0.043 0.000 1.135 16 T HN 0.457 nan 8.240 nan 0.000 0.532 17 R N -0.088 120.389 120.500 -0.039 0.000 2.738 17 R HA 0.369 4.504 4.340 -0.342 0.000 0.275 17 R C 1.589 177.869 176.300 -0.034 0.000 1.121 17 R CA -0.599 55.487 56.100 -0.023 0.000 1.207 17 R CB 0.368 30.648 30.300 -0.033 0.000 1.141 17 R HN 0.843 nan 8.270 nan 0.000 0.571 18 R N -0.792 119.680 120.500 -0.047 0.000 2.397 18 R HA 0.143 4.278 4.340 -0.342 0.000 0.241 18 R C -0.111 176.061 176.300 -0.214 0.000 0.914 18 R CA -0.133 55.920 56.100 -0.079 0.000 1.071 18 R CB 0.192 30.488 30.300 -0.007 0.000 1.116 18 R HN 0.313 nan 8.270 nan 0.000 0.524 19 V N -1.323 118.400 119.914 -0.319 0.000 2.769 19 V HA 0.658 4.573 4.120 -0.342 0.000 0.312 19 V C -2.486 173.489 176.094 -0.197 0.000 1.061 19 V CA -2.700 59.361 62.300 -0.397 0.000 0.931 19 V CB 1.729 33.031 31.823 -0.869 0.000 1.010 19 V HN -0.018 nan 8.190 nan 0.000 0.433 20 P HA 0.318 nan 4.420 nan 0.000 0.275 20 P C 0.010 177.296 177.300 -0.023 0.000 1.266 20 P CA -0.113 62.954 63.100 -0.056 0.000 0.793 20 P CB 0.828 32.505 31.700 -0.037 0.000 1.074 21 D N -0.396 119.996 120.400 -0.014 0.000 2.218 21 D HA -0.107 4.328 4.640 -0.342 0.000 0.204 21 D C 1.713 178.018 176.300 0.009 0.000 0.976 21 D CA 1.721 55.720 54.000 -0.001 0.000 0.853 21 D CB -0.492 40.303 40.800 -0.009 0.000 0.939 21 D HN 0.532 nan 8.370 nan 0.000 0.481 22 T N -2.142 112.413 114.554 0.002 0.000 3.072 22 T HA -0.158 3.987 4.350 -0.342 0.000 0.266 22 T C 1.081 175.765 174.700 -0.027 0.000 1.127 22 T CA -0.249 61.841 62.100 -0.017 0.000 1.107 22 T CB -0.670 68.183 68.868 -0.025 0.000 0.910 22 T HN 0.084 nan 8.240 nan 0.000 0.513 23 Y N 3.099 123.334 120.300 -0.109 0.000 2.805 23 Y HA 0.251 4.596 4.550 -0.343 0.000 0.331 23 Y C -0.303 175.526 175.900 -0.119 0.000 1.241 23 Y CA 0.294 58.311 58.100 -0.138 0.000 1.546 23 Y CB 0.049 38.385 38.460 -0.208 0.000 1.248 23 Y HN 0.024 nan 8.280 nan 0.000 0.559 24 T N 9.318 123.277 114.554 -0.992 0.000 2.879 24 T HA 0.328 4.472 4.350 -0.342 0.000 0.290 24 T C -2.718 171.311 174.700 -1.118 0.000 0.993 24 T CA -1.342 60.276 62.100 -0.803 0.000 0.975 24 T CB 1.504 70.135 68.868 -0.395 0.000 0.981 24 T HN 0.447 nan 8.240 nan 0.000 0.439 25 P HA 0.285 nan 4.420 nan 0.000 0.275 25 P C -2.061 174.971 177.300 -0.447 0.000 1.228 25 P CA -1.405 61.270 63.100 -0.709 0.000 0.786 25 P CB 0.565 31.768 31.700 -0.829 0.000 0.927 26 P HA 0.105 nan 4.420 nan 0.000 0.245 26 P C -0.319 177.061 177.300 0.133 0.000 1.206 26 P CA 0.571 63.632 63.100 -0.064 0.000 0.781 26 P CB -0.028 31.704 31.700 0.054 0.000 0.994 27 F N -1.477 118.518 119.950 0.076 0.000 2.613 27 F HA 0.778 5.099 4.527 -0.343 0.000 0.310 27 F C -3.172 172.686 175.800 0.097 0.000 1.085 27 F CA -3.525 54.542 58.000 0.111 0.000 0.945 27 F CB 0.285 39.396 39.000 0.185 0.000 1.298 27 F HN -0.396 nan 8.300 nan 0.000 0.455 28 P HA 0.346 nan 4.420 nan 0.000 0.280 28 P C -1.016 175.903 177.300 -0.635 0.000 1.244 28 P CA -0.079 62.806 63.100 -0.358 0.000 0.784 28 P CB 1.364 32.812 31.700 -0.421 0.000 0.913 29 M N 2.044 121.045 119.600 -0.998 0.000 2.575 29 M HA 0.462 4.737 4.480 -0.342 0.000 0.284 29 M C -0.830 174.952 176.300 -0.863 0.000 1.253 29 M CA -0.309 54.452 55.300 -0.898 0.000 0.861 29 M CB 2.510 34.501 32.600 -1.014 0.000 1.733 29 M HN 0.436 nan 8.290 nan 0.000 0.462 30 W N 1.261 122.489 121.300 -0.120 0.000 2.902 30 W HA 0.786 5.239 4.660 -0.345 0.000 0.346 30 W C -0.627 175.904 176.519 0.020 0.000 1.139 30 W CA -0.827 56.493 57.345 -0.042 0.000 1.139 30 W CB 1.694 31.134 29.460 -0.032 0.000 1.439 30 W HN 0.538 nan 8.180 nan 0.000 0.558 31 V N -0.903 119.179 119.914 0.279 0.000 3.040 31 V HA 0.917 4.832 4.120 -0.342 0.000 0.312 31 V C -0.033 176.213 176.094 0.253 0.000 1.115 31 V CA -0.920 61.528 62.300 0.247 0.000 0.998 31 V CB 1.081 32.949 31.823 0.074 0.000 1.042 31 V HN 0.631 nan 8.190 nan 0.000 0.433 32 G N 2.158 111.149 108.800 0.319 0.000 2.442 32 G HA2 0.536 4.291 3.960 -0.342 0.000 0.249 32 G HA3 0.536 4.291 3.960 -0.342 0.000 0.249 32 G C -0.285 174.679 174.900 0.106 0.000 1.263 32 G CA -0.537 44.665 45.100 0.170 0.000 0.846 32 G HN 0.713 nan 8.290 nan 0.000 0.555 33 R N 0.091 120.631 120.500 0.066 0.000 2.637 33 R HA 0.755 4.890 4.340 -0.342 0.000 0.291 33 R C -0.431 175.911 176.300 0.069 0.000 0.963 33 R CA -0.685 55.452 56.100 0.062 0.000 0.901 33 R CB 1.924 32.253 30.300 0.048 0.000 1.160 33 R HN 0.713 nan 8.270 nan 0.000 0.457 34 A N 1.671 124.551 122.820 0.099 0.000 2.520 34 A HA 0.461 4.575 4.320 -0.342 0.000 0.298 34 A C -0.877 176.773 177.584 0.109 0.000 1.051 34 A CA -0.897 51.198 52.037 0.097 0.000 0.690 34 A CB 1.307 20.386 19.000 0.132 0.000 1.281 34 A HN 0.722 nan 8.150 nan 0.000 0.402 35 D N 0.490 120.892 120.400 0.003 0.000 2.414 35 D HA 0.161 4.595 4.640 -0.342 0.000 0.259 35 D C 0.683 176.756 176.300 -0.379 0.000 1.269 35 D CA 0.239 54.150 54.000 -0.148 0.000 1.028 35 D CB 0.178 40.909 40.800 -0.115 0.000 1.093 35 D HN 0.495 nan 8.370 nan 0.000 0.545 36 D N -1.054 118.967 120.400 -0.631 0.000 2.172 36 D HA -0.235 4.200 4.640 -0.342 0.000 0.196 36 D C 1.952 178.131 176.300 -0.203 0.000 0.999 36 D CA 2.302 55.936 54.000 -0.610 0.000 0.856 36 D CB -0.278 40.315 40.800 -0.345 0.000 0.934 36 D HN 0.451 nan 8.370 nan 0.000 0.453 37 A N -0.311 122.438 122.820 -0.119 0.000 1.940 37 A HA -0.056 4.058 4.320 -0.342 0.000 0.219 37 A C 1.142 178.737 177.584 0.018 0.000 1.176 37 A CA 0.464 52.481 52.037 -0.033 0.000 0.631 37 A CB -0.532 18.455 19.000 -0.022 0.000 0.814 37 A HN 0.339 nan 8.150 nan 0.000 0.446 38 L N 0.502 121.748 121.223 0.038 0.000 2.385 38 L HA 0.138 4.273 4.340 -0.342 0.000 0.281 38 L C 0.951 177.906 176.870 0.142 0.000 1.106 38 L CA 0.319 55.222 54.840 0.105 0.000 0.856 38 L CB 0.670 42.812 42.059 0.138 0.000 1.186 38 L HN 0.302 nan 8.230 nan 0.000 0.453 39 Q N 2.824 122.706 119.800 0.136 0.000 2.431 39 Q HA 0.223 4.358 4.340 -0.342 0.000 0.244 39 Q C -0.159 175.941 176.000 0.167 0.000 0.880 39 Q CA 0.385 56.270 55.803 0.138 0.000 0.954 39 Q CB 0.927 29.724 28.738 0.099 0.000 1.105 39 Q HN 0.743 nan 8.270 nan 0.000 0.558 40 Q N 0.317 120.224 119.800 0.179 0.000 2.378 40 Q HA 0.385 4.520 4.340 -0.342 0.000 0.262 40 Q C -1.379 174.737 176.000 0.193 0.000 0.978 40 Q CA -0.401 55.523 55.803 0.202 0.000 0.918 40 Q CB 2.191 31.020 28.738 0.152 0.000 1.415 40 Q HN 0.034 nan 8.270 nan 0.000 0.409 41 V N -0.060 119.982 119.914 0.214 0.000 3.093 41 V HA 0.900 4.815 4.120 -0.342 0.000 0.320 41 V C -0.677 175.505 176.094 0.148 0.000 1.093 41 V CA -0.559 61.841 62.300 0.166 0.000 1.016 41 V CB 1.896 33.774 31.823 0.091 0.000 1.096 41 V HN 0.489 nan 8.190 nan 0.000 0.452 42 V N 2.647 122.663 119.914 0.169 0.000 2.531 42 V HA 0.538 4.452 4.120 -0.342 0.000 0.301 42 V C -0.293 175.896 176.094 0.159 0.000 1.034 42 V CA -0.381 61.987 62.300 0.114 0.000 0.865 42 V CB 1.589 33.393 31.823 -0.032 0.000 0.995 42 V HN 0.941 nan 8.190 nan 0.000 0.424 43 M N 4.149 123.778 119.600 0.048 0.000 2.044 43 M HA 0.578 4.853 4.480 -0.342 0.000 0.333 43 M C 0.355 176.628 176.300 -0.044 0.000 1.004 43 M CA -0.124 55.100 55.300 -0.126 0.000 0.954 43 M CB 1.660 34.259 32.600 -0.002 0.000 1.468 43 M HN 0.734 nan 8.290 nan 0.000 0.414 44 G N 2.868 111.638 108.800 -0.049 0.000 2.522 44 G HA2 0.539 4.294 3.960 -0.342 0.000 0.318 44 G HA3 0.539 4.294 3.960 -0.342 0.000 0.318 44 G C -1.474 173.432 174.900 0.011 0.000 1.192 44 G CA -0.261 44.882 45.100 0.072 0.000 0.988 44 G HN 0.574 nan 8.290 nan 0.000 0.480 45 Y N 2.502 122.891 120.300 0.150 0.000 2.477 45 Y HA 0.387 4.744 4.550 -0.323 0.000 0.349 45 Y C -0.125 175.897 175.900 0.203 0.000 0.977 45 Y CA -0.783 57.451 58.100 0.222 0.000 1.214 45 Y CB 1.515 40.167 38.460 0.320 0.000 1.124 45 Y HN 0.201 nan 8.280 nan 0.000 0.521 46 L N 3.733 125.097 121.223 0.234 0.000 2.298 46 L HA 0.659 4.794 4.340 -0.342 0.000 0.284 46 L C 0.477 177.292 176.870 -0.091 0.000 1.013 46 L CA -0.560 54.327 54.840 0.079 0.000 0.824 46 L CB 1.359 43.491 42.059 0.122 0.000 1.221 46 L HN 0.696 nan 8.230 nan 0.000 0.418 47 G N 2.451 110.908 108.800 -0.572 0.000 2.453 47 G HA2 0.714 4.468 3.960 -0.342 0.000 0.323 47 G HA3 0.714 4.468 3.960 -0.342 0.000 0.323 47 G C -1.492 173.085 174.900 -0.538 0.000 1.198 47 G CA -0.493 44.016 45.100 -0.986 0.000 0.959 47 G HN 0.271 nan 8.290 nan 0.000 0.482 48 V N 0.585 120.386 119.914 -0.188 0.000 2.588 48 V HA 0.559 4.473 4.120 -0.342 0.000 0.304 48 V C -0.299 175.866 176.094 0.119 0.000 1.042 48 V CA -0.736 61.551 62.300 -0.021 0.000 0.877 48 V CB 1.529 33.407 31.823 0.092 0.000 0.996 48 V HN 0.857 nan 8.190 nan 0.000 0.425 49 Q N 4.086 123.965 119.800 0.132 0.000 2.375 49 Q HA 0.828 4.962 4.340 -0.342 0.000 0.271 49 Q C -1.774 174.450 176.000 0.373 0.000 1.074 49 Q CA -0.586 55.380 55.803 0.273 0.000 0.808 49 Q CB 2.604 31.512 28.738 0.284 0.000 1.327 49 Q HN 0.774 nan 8.270 nan 0.000 0.441 50 F N 0.202 120.262 119.950 0.183 0.000 2.770 50 F HA 0.516 4.843 4.527 -0.333 0.000 0.313 50 F C -0.784 175.070 175.800 0.091 0.000 1.154 50 F CA -0.906 57.183 58.000 0.149 0.000 0.923 50 F CB 1.249 40.275 39.000 0.044 0.000 1.301 50 F HN 0.604 nan 8.300 nan 0.000 0.449 51 R N -0.433 120.021 120.500 -0.077 0.000 2.573 51 R HA 0.237 4.372 4.340 -0.342 0.000 0.224 51 R C -0.915 175.312 176.300 -0.122 0.000 0.904 51 R CA -0.063 55.810 56.100 -0.378 0.000 0.995 51 R CB 0.288 30.061 30.300 -0.878 0.000 1.430 51 R HN 0.727 nan 8.270 nan 0.000 0.631 52 D N 1.403 121.837 120.400 0.055 0.000 2.304 52 D HA -0.009 4.425 4.640 -0.342 0.000 0.250 52 D C 0.602 177.014 176.300 0.185 0.000 1.107 52 D CA 0.103 54.149 54.000 0.077 0.000 0.885 52 D CB 1.808 42.642 40.800 0.057 0.000 1.192 52 D HN 0.054 nan 8.370 nan 0.000 0.436 53 E N 1.432 121.703 120.200 0.118 0.000 2.130 53 E HA -0.218 3.926 4.350 -0.342 0.000 0.196 53 E C 1.010 177.658 176.600 0.080 0.000 0.998 53 E CA 1.368 57.844 56.400 0.127 0.000 0.806 53 E CB -0.003 29.738 29.700 0.069 0.000 0.738 53 E HN 0.526 nan 8.360 nan 0.000 0.459 54 D N -0.636 119.794 120.400 0.049 0.000 2.378 54 D HA -0.154 4.281 4.640 -0.342 0.000 0.222 54 D C 1.270 177.561 176.300 -0.015 0.000 0.980 54 D CA 0.705 54.712 54.000 0.013 0.000 0.907 54 D CB -0.325 40.482 40.800 0.012 0.000 0.899 54 D HN 0.324 nan 8.370 nan 0.000 0.527 55 Q N -0.639 119.155 119.800 -0.009 0.000 2.408 55 Q HA 0.144 4.278 4.340 -0.342 0.000 0.205 55 Q C 1.962 177.715 176.000 -0.412 0.000 0.919 55 Q CA -0.203 55.532 55.803 -0.114 0.000 0.932 55 Q CB 0.294 29.043 28.738 0.018 0.000 1.058 55 Q HN 0.246 nan 8.270 nan 0.000 0.517 56 R N 1.215 121.481 120.500 -0.391 0.000 2.083 56 R HA -0.137 3.998 4.340 -0.342 0.000 0.237 56 R C -0.835 175.246 176.300 -0.364 0.000 1.137 56 R CA 1.553 57.317 56.100 -0.560 0.000 0.951 56 R CB -0.689 29.537 30.300 -0.123 0.000 0.851 56 R HN 0.143 nan 8.270 nan 0.000 0.434 57 P HA -0.094 nan 4.420 nan 0.000 0.215 57 P C 0.842 178.064 177.300 -0.130 0.000 1.157 57 P CA 1.968 64.990 63.100 -0.129 0.000 0.868 57 P CB -0.101 31.552 31.700 -0.079 0.000 0.788 58 A N -0.160 122.579 122.820 -0.135 0.000 1.933 58 A HA -0.097 4.017 4.320 -0.342 0.000 0.218 58 A C 2.304 179.831 177.584 -0.094 0.000 1.175 58 A CA 2.033 54.023 52.037 -0.079 0.000 0.628 58 A CB -1.570 17.402 19.000 -0.047 0.000 0.814 58 A HN 0.196 nan 8.150 nan 0.000 0.444 59 A N -0.277 122.383 122.820 -0.267 0.000 1.873 59 A HA 0.004 4.119 4.320 -0.342 0.000 0.215 59 A C 2.146 179.658 177.584 -0.120 0.000 1.186 59 A CA 1.431 53.304 52.037 -0.275 0.000 0.616 59 A CB -0.564 17.965 19.000 -0.784 0.000 0.823 59 A HN 0.455 nan 8.150 nan 0.000 0.442 60 L N -1.149 119.985 121.223 -0.148 0.000 2.093 60 L HA -0.193 3.941 4.340 -0.342 0.000 0.208 60 L C 2.811 179.657 176.870 -0.041 0.000 1.085 60 L CA 1.553 56.353 54.840 -0.066 0.000 0.755 60 L CB -0.340 41.675 42.059 -0.074 0.000 0.904 60 L HN 0.440 nan 8.230 nan 0.000 0.435 61 Q N 0.096 119.874 119.800 -0.037 0.000 2.119 61 Q HA -0.116 4.018 4.340 -0.342 0.000 0.201 61 Q C 2.195 178.204 176.000 0.016 0.000 0.972 61 Q CA 1.733 57.528 55.803 -0.014 0.000 0.847 61 Q CB -0.156 28.580 28.738 -0.004 0.000 0.903 61 Q HN 0.430 nan 8.270 nan 0.000 0.433 62 A N 0.259 123.129 122.820 0.083 0.000 1.933 62 A HA -0.172 3.942 4.320 -0.342 0.000 0.218 62 A C 2.116 179.732 177.584 0.052 0.000 1.175 62 A CA 1.595 53.749 52.037 0.194 0.000 0.628 62 A CB -0.659 18.612 19.000 0.451 0.000 0.814 62 A HN 0.581 nan 8.150 nan 0.000 0.444 63 M N -0.768 118.847 119.600 0.023 0.000 2.117 63 M HA -0.159 4.116 4.480 -0.342 0.000 0.262 63 M C 2.258 178.475 176.300 -0.138 0.000 1.065 63 M CA 1.584 56.858 55.300 -0.044 0.000 1.114 63 M CB -0.202 32.398 32.600 -0.001 0.000 1.361 63 M HN 0.381 nan 8.290 nan 0.000 0.408 64 R N 0.207 120.642 120.500 -0.108 0.000 2.096 64 R HA -0.144 3.990 4.340 -0.342 0.000 0.235 64 R C 1.594 177.779 176.300 -0.191 0.000 1.127 64 R CA 1.608 57.629 56.100 -0.132 0.000 0.968 64 R CB -0.452 29.799 30.300 -0.082 0.000 0.861 64 R HN 0.465 nan 8.270 nan 0.000 0.440 65 D N 0.666 120.941 120.400 -0.207 0.000 2.144 65 D HA -0.120 4.315 4.640 -0.342 0.000 0.199 65 D C 1.876 177.895 176.300 -0.468 0.000 0.984 65 D CA 1.053 54.865 54.000 -0.314 0.000 0.834 65 D CB -0.130 40.464 40.800 -0.342 0.000 0.955 65 D HN 0.208 nan 8.370 nan 0.000 0.465 66 I N 0.341 120.603 120.570 -0.514 0.000 2.202 66 I HA -0.225 3.740 4.170 -0.342 0.000 0.242 66 I C 2.398 178.053 176.117 -0.769 0.000 1.091 66 I CA 0.600 61.545 61.300 -0.593 0.000 1.368 66 I CB -0.186 37.531 38.000 -0.472 0.000 1.058 66 I HN -0.120 nan 8.210 nan 0.000 0.410 67 V N 1.136 120.628 119.914 -0.703 0.000 2.332 67 V HA -0.334 3.581 4.120 -0.342 0.000 0.248 67 V C 2.726 178.568 176.094 -0.420 0.000 1.055 67 V CA 2.038 63.890 62.300 -0.746 0.000 1.038 67 V CB -1.197 30.372 31.823 -0.423 0.000 0.651 67 V HN 0.517 nan 8.190 nan 0.000 0.450 68 A N 0.702 123.359 122.820 -0.271 0.000 1.908 68 A HA -0.116 3.998 4.320 -0.342 0.000 0.218 68 A C 2.420 179.976 177.584 -0.048 0.000 1.181 68 A CA 1.902 53.862 52.037 -0.129 0.000 0.627 68 A CB -1.256 17.670 19.000 -0.124 0.000 0.818 68 A HN 0.557 nan 8.150 nan 0.000 0.445 69 G N -1.590 107.166 108.800 -0.074 0.000 2.479 69 G HA2 -0.153 3.602 3.960 -0.342 0.000 0.220 69 G HA3 -0.153 3.602 3.960 -0.342 0.000 0.220 69 G C 1.153 176.391 174.900 0.563 0.000 1.115 69 G CA 0.868 46.070 45.100 0.170 0.000 0.757 69 G HN 0.395 nan 8.290 nan 0.000 0.560 70 F N 1.372 121.385 119.950 0.105 0.000 2.407 70 F HA 0.075 4.393 4.527 -0.347 0.000 0.299 70 F C 1.873 177.658 175.800 -0.025 0.000 1.097 70 F CA -0.013 57.943 58.000 -0.073 0.000 1.422 70 F CB -0.155 38.657 39.000 -0.312 0.000 1.067 70 F HN 0.151 nan 8.300 nan 0.000 0.539 71 D N 0.285 120.810 120.400 0.208 0.000 2.347 71 D HA 0.009 4.443 4.640 -0.342 0.000 0.215 71 D C 1.070 177.454 176.300 0.140 0.000 0.976 71 D CA 0.371 54.447 54.000 0.127 0.000 0.884 71 D CB 0.243 41.092 40.800 0.081 0.000 0.915 71 D HN 0.159 nan 8.370 nan 0.000 0.526 72 L N 1.289 122.647 121.223 0.226 0.000 2.464 72 L HA 0.197 4.332 4.340 -0.342 0.000 0.264 72 L C -1.927 175.090 176.870 0.245 0.000 1.199 72 L CA -1.748 53.228 54.840 0.226 0.000 0.818 72 L CB -0.319 41.897 42.059 0.261 0.000 1.102 72 L HN -0.299 nan 8.230 nan 0.000 0.473 73 P HA -0.046 nan 4.420 nan 0.000 0.264 73 P C -0.451 177.015 177.300 0.277 0.000 1.179 73 P CA 0.400 63.606 63.100 0.176 0.000 0.763 73 P CB 0.239 32.018 31.700 0.131 0.000 0.806 74 D N -0.471 120.059 120.400 0.217 0.000 3.076 74 D HA -0.126 4.309 4.640 -0.342 0.000 0.218 74 D C 0.832 177.311 176.300 0.299 0.000 1.156 74 D CA 1.508 55.672 54.000 0.274 0.000 0.921 74 D CB -1.585 39.406 40.800 0.319 0.000 1.113 74 D HN 0.599 nan 8.370 nan 0.000 0.418 75 G N 0.917 109.763 108.800 0.077 0.000 2.699 75 G HA2 0.362 4.117 3.960 -0.342 0.000 0.246 75 G HA3 0.362 4.117 3.960 -0.342 0.000 0.246 75 G C -2.020 172.417 174.900 -0.771 0.000 1.219 75 G CA -0.618 44.229 45.100 -0.422 0.000 0.866 75 G HN 0.024 nan 8.290 nan 0.000 0.572 76 P HA 0.154 nan 4.420 nan 0.000 0.272 76 P C 0.510 177.263 177.300 -0.912 0.000 1.223 76 P CA 0.288 62.171 63.100 -2.029 0.000 0.784 76 P CB 1.294 31.473 31.700 -2.534 0.000 0.923 77 A N 1.428 123.881 122.820 -0.611 0.000 2.066 77 A HA -0.057 4.057 4.320 -0.342 0.000 0.218 77 A C 0.906 178.379 177.584 -0.185 0.000 1.157 77 A CA 1.470 53.333 52.037 -0.290 0.000 0.670 77 A CB -0.887 18.012 19.000 -0.169 0.000 0.804 77 A HN 0.788 nan 8.150 nan 0.000 0.453 78 H N -0.909 117.959 119.070 -0.337 0.000 3.012 78 H HA 0.581 4.930 4.556 -0.344 0.000 0.367 78 H C -0.888 174.334 175.328 -0.176 0.000 1.211 78 H CA -0.619 55.279 56.048 -0.249 0.000 1.139 78 H CB 1.082 30.718 29.762 -0.211 0.000 1.838 78 H HN 0.392 nan 8.280 nan 0.000 0.550 79 H N 1.368 119.921 119.070 -0.861 0.000 3.017 79 H HA 0.523 4.871 4.556 -0.345 0.000 0.346 79 H C -1.726 173.300 175.328 -0.503 0.000 1.286 79 H CA -0.872 54.869 56.048 -0.512 0.000 1.120 79 H CB 2.368 32.031 29.762 -0.165 0.000 1.860 79 H HN 0.738 nan 8.280 nan 0.000 0.542 80 D N 0.922 121.344 120.400 0.038 0.000 2.583 80 D HA 0.524 4.958 4.640 -0.342 0.000 0.248 80 D C -1.195 175.265 176.300 0.267 0.000 1.209 80 D CA -0.868 53.219 54.000 0.146 0.000 0.848 80 D CB 2.098 43.002 40.800 0.173 0.000 1.431 80 D HN 0.510 nan 8.370 nan 0.000 0.436 81 L N 0.296 121.666 121.223 0.245 0.000 2.365 81 L HA 0.799 4.933 4.340 -0.342 0.000 0.273 81 L C -0.226 176.786 176.870 0.236 0.000 1.000 81 L CA -0.732 54.240 54.840 0.220 0.000 0.819 81 L CB 1.977 44.130 42.059 0.158 0.000 1.284 81 L HN 0.801 nan 8.230 nan 0.000 0.418 82 T N -2.703 111.998 114.554 0.246 0.000 2.865 82 T HA 0.489 4.633 4.350 -0.342 0.000 0.294 82 T C -1.179 173.711 174.700 0.317 0.000 1.119 82 T CA -0.742 61.501 62.100 0.239 0.000 1.007 82 T CB 2.303 71.236 68.868 0.108 0.000 1.225 82 T HN 0.677 nan 8.240 nan 0.000 0.515 83 H N 1.197 120.412 119.070 0.240 0.000 2.679 83 H HA 0.517 4.883 4.556 -0.316 0.000 0.360 83 H C -1.308 174.208 175.328 0.313 0.000 1.105 83 H CA -0.489 55.725 56.048 0.277 0.000 1.196 83 H CB 1.893 31.835 29.762 0.299 0.000 1.636 83 H HN 1.046 nan 8.280 nan 0.000 0.531 84 H N 3.760 122.589 119.070 -0.402 0.000 3.017 84 H HA 0.377 5.002 4.556 0.116 0.000 0.346 84 H C -1.353 173.728 175.328 -0.411 0.000 1.286 84 H CA -1.000 54.854 56.048 -0.324 0.000 1.120 84 H CB 1.405 31.117 29.762 -0.082 0.000 1.860 84 H HN 0.473 nan 8.280 nan 0.000 0.542 85 I N 2.639 123.095 120.570 -0.191 0.000 2.339 85 I HA 0.120 4.084 4.170 -0.342 0.000 0.290 85 I C -0.142 175.992 176.117 0.028 0.000 0.994 85 I CA -0.731 60.475 61.300 -0.156 0.000 1.191 85 I CB 1.429 39.405 38.000 -0.041 0.000 1.343 85 I HN 0.588 nan 8.210 nan 0.000 0.458 86 D N 4.381 124.794 120.400 0.023 0.000 2.433 86 D HA 0.002 4.437 4.640 -0.342 0.000 0.255 86 D C 0.755 177.105 176.300 0.084 0.000 1.226 86 D CA -0.520 53.567 54.000 0.145 0.000 1.015 86 D CB 0.342 41.258 40.800 0.194 0.000 1.091 86 D HN 0.552 nan 8.370 nan 0.000 0.527 87 N N -0.891 117.850 118.700 0.069 0.000 2.521 87 N HA -0.132 4.403 4.740 -0.342 0.000 0.188 87 N C 0.535 176.041 175.510 -0.006 0.000 1.146 87 N CA 0.559 53.624 53.050 0.026 0.000 0.893 87 N CB -0.140 38.352 38.487 0.009 0.000 0.975 87 N HN 0.318 nan 8.380 nan 0.000 0.451 88 Q N -0.531 119.256 119.800 -0.022 0.000 2.247 88 Q HA 0.256 4.390 4.340 -0.342 0.000 0.204 88 Q C 0.780 176.773 176.000 -0.012 0.000 0.872 88 Q CA 0.439 56.198 55.803 -0.073 0.000 0.951 88 Q CB 0.222 28.750 28.738 -0.350 0.000 1.099 88 Q HN 0.568 nan 8.270 nan 0.000 0.501 89 G N 0.591 109.380 108.800 -0.017 0.000 2.159 89 G HA2 -0.299 3.455 3.960 -0.342 0.000 0.256 89 G HA3 -0.299 3.455 3.960 -0.342 0.000 0.256 89 G C -0.323 174.472 174.900 -0.175 0.000 0.977 89 G CA -0.045 44.998 45.100 -0.095 0.000 0.652 89 G HN 0.288 nan 8.290 nan 0.000 0.531 90 Y N 1.646 121.839 120.300 -0.177 0.000 2.304 90 Y HA 0.483 4.823 4.550 -0.350 0.000 0.328 90 Y C 1.079 176.801 175.900 -0.298 0.000 1.123 90 Y CA -0.630 57.353 58.100 -0.195 0.000 1.218 90 Y CB 0.711 39.145 38.460 -0.043 0.000 1.207 90 Y HN 0.235 nan 8.280 nan 0.000 0.495 91 E N 3.195 123.160 120.200 -0.393 0.000 2.331 91 E HA 0.218 4.363 4.350 -0.342 0.000 0.272 91 E C -0.833 175.538 176.600 -0.382 0.000 1.036 91 E CA -0.511 55.562 56.400 -0.546 0.000 0.864 91 E CB 0.704 29.897 29.700 -0.845 0.000 1.035 91 E HN 0.578 nan 8.360 nan 0.000 0.408 92 N N 2.979 121.451 118.700 -0.380 0.000 2.461 92 N HA 0.263 4.798 4.740 -0.342 0.000 0.284 92 N C -1.049 174.493 175.510 0.055 0.000 1.049 92 N CA -0.415 52.575 53.050 -0.100 0.000 0.889 92 N CB 1.684 40.070 38.487 -0.168 0.000 1.365 92 N HN 0.223 nan 8.380 nan 0.000 0.499 93 L N 3.297 124.648 121.223 0.212 0.000 2.264 93 L HA 0.583 4.717 4.340 -0.342 0.000 0.289 93 L C -0.098 176.890 176.870 0.197 0.000 1.044 93 L CA -0.386 54.598 54.840 0.240 0.000 0.807 93 L CB 0.857 43.059 42.059 0.239 0.000 1.192 93 L HN 0.356 nan 8.230 nan 0.000 0.425 94 I N 3.875 124.597 120.570 0.253 0.000 2.447 94 I HA 0.314 4.278 4.170 -0.342 0.000 0.287 94 I C -0.563 175.699 176.117 0.242 0.000 1.023 94 I CA -0.720 60.740 61.300 0.267 0.000 1.083 94 I CB 2.234 40.506 38.000 0.453 0.000 1.245 94 I HN 0.209 nan 8.210 nan 0.000 0.434 95 V N 7.117 127.128 119.914 0.161 0.000 2.364 95 V HA 0.283 4.198 4.120 -0.342 0.000 0.272 95 V C -0.038 176.149 176.094 0.156 0.000 1.036 95 V CA -0.656 61.723 62.300 0.132 0.000 0.880 95 V CB 1.761 33.565 31.823 -0.031 0.000 0.991 95 V HN 0.476 nan 8.190 nan 0.000 0.460 96 V N 5.434 125.417 119.914 0.114 0.000 2.398 96 V HA 0.874 4.789 4.120 -0.342 0.000 0.286 96 V C 0.534 176.512 176.094 -0.194 0.000 1.026 96 V CA 0.113 62.304 62.300 -0.183 0.000 0.868 96 V CB 1.336 32.856 31.823 -0.505 0.000 0.982 96 V HN 0.933 nan 8.190 nan 0.000 0.443 97 G N 5.269 113.861 108.800 -0.345 0.000 2.400 97 G HA2 0.610 4.364 3.960 -0.342 0.000 0.333 97 G HA3 0.610 4.364 3.960 -0.342 0.000 0.333 97 G C -1.757 172.700 174.900 -0.738 0.000 1.143 97 G CA -0.441 44.234 45.100 -0.710 0.000 0.914 97 G HN 0.671 nan 8.290 nan 0.000 0.480 98 Y N 0.326 120.279 120.300 -0.578 0.000 2.341 98 Y HA 0.453 4.796 4.550 -0.345 0.000 0.338 98 Y C -0.122 175.539 175.900 -0.398 0.000 0.965 98 Y CA -0.836 57.103 58.100 -0.268 0.000 1.108 98 Y CB 1.699 40.073 38.460 -0.143 0.000 1.180 98 Y HN 0.426 nan 8.280 nan 0.000 0.458 99 W N 3.098 124.356 121.300 -0.070 0.000 2.627 99 W HA 0.332 4.783 4.660 -0.348 0.000 0.339 99 W C 0.391 176.903 176.519 -0.013 0.000 1.058 99 W CA -0.928 56.366 57.345 -0.085 0.000 1.223 99 W CB 2.097 31.484 29.460 -0.121 0.000 1.389 99 W HN 0.567 nan 8.180 nan 0.000 0.541 100 K N 0.615 121.134 120.400 0.198 0.000 2.426 100 K HA -0.037 4.077 4.320 -0.342 0.000 0.193 100 K C 0.123 176.812 176.600 0.148 0.000 1.028 100 K CA 0.724 57.095 56.287 0.140 0.000 1.047 100 K CB 0.283 32.832 32.500 0.082 0.000 0.821 100 K HN 0.389 nan 8.250 nan 0.000 0.513 101 D N -1.877 118.626 120.400 0.171 0.000 2.655 101 D HA 0.011 4.445 4.640 -0.342 0.000 0.229 101 D C 0.645 176.999 176.300 0.089 0.000 1.229 101 D CA -0.557 53.517 54.000 0.123 0.000 0.807 101 D CB 1.495 42.353 40.800 0.097 0.000 1.514 101 D HN -0.309 nan 8.370 nan 0.000 0.444 102 V N 1.569 121.514 119.914 0.052 0.000 2.358 102 V HA -0.244 3.671 4.120 -0.342 0.000 0.246 102 V C 2.696 178.784 176.094 -0.010 0.000 1.047 102 V CA 2.721 65.021 62.300 0.000 0.000 1.035 102 V CB -0.822 31.004 31.823 0.005 0.000 0.658 102 V HN 0.796 nan 8.190 nan 0.000 0.452 103 S N 1.047 116.758 115.700 0.017 0.000 2.382 103 S HA -0.202 4.063 4.470 -0.342 0.000 0.228 103 S C 2.153 176.797 174.600 0.073 0.000 1.027 103 S CA 1.614 59.834 58.200 0.034 0.000 0.991 103 S CB -0.714 62.502 63.200 0.027 0.000 0.823 103 S HN 0.730 nan 8.310 nan 0.000 0.469 104 S N 1.302 117.048 115.700 0.077 0.000 2.383 104 S HA -0.145 4.119 4.470 -0.342 0.000 0.227 104 S C 2.093 176.729 174.600 0.060 0.000 1.026 104 S CA 0.985 59.263 58.200 0.130 0.000 0.981 104 S CB -0.755 62.571 63.200 0.210 0.000 0.818 104 S HN 0.509 nan 8.310 nan 0.000 0.472 105 Q N 0.860 120.519 119.800 -0.236 0.000 2.119 105 Q HA -0.205 3.929 4.340 -0.342 0.000 0.201 105 Q C 2.049 177.903 176.000 -0.243 0.000 0.972 105 Q CA 1.974 57.318 55.803 -0.764 0.000 0.847 105 Q CB -0.459 27.538 28.738 -1.234 0.000 0.903 105 Q HN 0.876 nan 8.270 nan 0.000 0.433 106 H N 0.217 119.180 119.070 -0.177 0.000 2.326 106 H HA 0.016 4.366 4.556 -0.343 0.000 0.301 106 H C 2.139 177.452 175.328 -0.026 0.000 1.081 106 H CA 1.878 57.869 56.048 -0.094 0.000 1.334 106 H CB 0.231 29.949 29.762 -0.073 0.000 1.385 106 H HN 0.113 nan 8.280 nan 0.000 0.504 107 R N -0.935 119.639 120.500 0.123 0.000 2.091 107 R HA -0.196 3.939 4.340 -0.342 0.000 0.238 107 R C 2.137 178.488 176.300 0.085 0.000 1.136 107 R CA 1.580 57.739 56.100 0.098 0.000 0.959 107 R CB -0.589 29.791 30.300 0.134 0.000 0.856 107 R HN 0.481 nan 8.270 nan 0.000 0.437 108 W N 1.065 122.344 121.300 -0.035 0.000 2.379 108 W HA -0.120 4.333 4.660 -0.344 0.000 0.307 108 W C 2.187 178.675 176.519 -0.051 0.000 1.200 108 W CA 1.477 58.830 57.345 0.013 0.000 1.297 108 W CB -0.306 29.236 29.460 0.136 0.000 1.140 108 W HN -0.126 nan 8.180 nan 0.000 0.507 109 S N -0.563 115.094 115.700 -0.072 0.000 2.402 109 S HA -0.180 4.085 4.470 -0.342 0.000 0.229 109 S C 1.707 176.088 174.600 -0.366 0.000 1.021 109 S CA 1.909 59.908 58.200 -0.335 0.000 0.974 109 S CB -0.660 62.423 63.200 -0.194 0.000 0.800 109 S HN 0.507 nan 8.310 nan 0.000 0.484 110 T N -0.033 114.325 114.554 -0.326 0.000 3.060 110 T HA 0.154 4.298 4.350 -0.342 0.000 0.249 110 T C 0.846 175.437 174.700 -0.182 0.000 1.079 110 T CA 0.202 62.142 62.100 -0.267 0.000 1.013 110 T CB -0.238 68.436 68.868 -0.323 0.000 0.975 110 T HN 0.320 nan 8.240 nan 0.000 0.518 111 S N 1.552 117.134 115.700 -0.197 0.000 2.568 111 S HA 0.106 4.370 4.470 -0.342 0.000 0.282 111 S C 1.337 175.847 174.600 -0.149 0.000 1.338 111 S CA -0.082 58.030 58.200 -0.146 0.000 1.045 111 S CB 0.731 63.851 63.200 -0.134 0.000 0.873 111 S HN 0.307 nan 8.310 nan 0.000 0.516 112 T N 3.526 118.027 114.554 -0.089 0.000 2.624 112 T HA -0.071 4.073 4.350 -0.342 0.000 0.268 112 T C -0.755 173.904 174.700 -0.067 0.000 1.041 112 T CA 1.809 63.870 62.100 -0.064 0.000 1.159 112 T CB -1.721 67.125 68.868 -0.037 0.000 0.863 112 T HN 0.703 nan 8.240 nan 0.000 0.434 113 P HA 0.024 nan 4.420 nan 0.000 0.220 113 P C 1.299 178.545 177.300 -0.090 0.000 1.148 113 P CA 0.869 63.931 63.100 -0.063 0.000 0.803 113 P CB -0.164 31.497 31.700 -0.064 0.000 0.782 114 I N -0.060 120.381 120.570 -0.215 0.000 2.385 114 I HA 0.004 3.969 4.170 -0.342 0.000 0.244 114 I C 2.496 178.545 176.117 -0.114 0.000 1.089 114 I CA 0.998 62.104 61.300 -0.323 0.000 1.410 114 I CB -1.960 35.507 38.000 -0.889 0.000 1.117 114 I HN -0.103 nan 8.210 nan 0.000 0.429 115 A N 1.340 124.081 122.820 -0.132 0.000 1.933 115 A HA -0.184 3.931 4.320 -0.342 0.000 0.218 115 A C 2.539 180.147 177.584 0.041 0.000 1.175 115 A CA 2.254 54.273 52.037 -0.030 0.000 0.628 115 A CB -0.809 18.145 19.000 -0.077 0.000 0.814 115 A HN 0.549 nan 8.150 nan 0.000 0.444 116 S N -1.974 113.737 115.700 0.019 0.000 2.383 116 S HA -0.229 4.036 4.470 -0.342 0.000 0.227 116 S C 1.782 176.402 174.600 0.032 0.000 1.026 116 S CA 1.347 59.554 58.200 0.013 0.000 0.981 116 S CB -0.785 62.419 63.200 0.006 0.000 0.818 116 S HN 0.742 nan 8.310 nan 0.000 0.472 117 W N 1.418 122.667 121.300 -0.085 0.000 2.381 117 W HA 0.043 4.494 4.660 -0.348 0.000 0.301 117 W C 2.352 178.809 176.519 -0.103 0.000 1.205 117 W CA 1.173 58.457 57.345 -0.102 0.000 1.285 117 W CB -0.452 28.950 29.460 -0.096 0.000 1.133 117 W HN 0.426 nan 8.180 nan 0.000 0.521 118 W N 1.234 122.527 121.300 -0.011 0.000 2.402 118 W HA -0.134 4.318 4.660 -0.346 0.000 0.286 118 W C 1.141 177.504 176.519 -0.259 0.000 1.221 118 W CA 1.765 59.009 57.345 -0.169 0.000 1.257 118 W CB -0.240 29.213 29.460 -0.012 0.000 1.120 118 W HN -0.004 nan 8.180 nan 0.000 0.551 119 E N 0.350 120.425 120.200 -0.209 0.000 2.478 119 E HA -0.047 4.098 4.350 -0.342 0.000 0.194 119 E C 0.932 177.351 176.600 -0.302 0.000 1.045 119 E CA -0.122 56.124 56.400 -0.257 0.000 0.868 119 E CB 0.271 29.920 29.700 -0.085 0.000 0.885 119 E HN -0.133 nan 8.360 nan 0.000 0.505 120 S N 0.830 116.317 115.700 -0.355 0.000 2.560 120 S HA -0.049 4.216 4.470 -0.342 0.000 0.284 120 S C 0.815 175.214 174.600 -0.335 0.000 1.327 120 S CA -0.289 57.718 58.200 -0.320 0.000 1.055 120 S CB 0.691 63.672 63.200 -0.366 0.000 0.868 120 S HN 0.062 nan 8.310 nan 0.000 0.506 121 E N 2.580 122.642 120.200 -0.230 0.000 2.338 121 E HA -0.042 4.103 4.350 -0.342 0.000 0.197 121 E C 1.069 177.555 176.600 -0.190 0.000 1.007 121 E CA 0.798 57.084 56.400 -0.190 0.000 0.849 121 E CB -0.080 29.544 29.700 -0.127 0.000 0.774 121 E HN 0.594 nan 8.360 nan 0.000 0.506 122 D N 0.289 120.555 120.400 -0.223 0.000 2.178 122 D HA -0.106 4.328 4.640 -0.342 0.000 0.201 122 D C 1.634 177.791 176.300 -0.239 0.000 0.980 122 D CA 0.639 54.517 54.000 -0.203 0.000 0.842 122 D CB 0.038 40.716 40.800 -0.203 0.000 0.948 122 D HN 0.030 nan 8.370 nan 0.000 0.472 123 R N 0.196 120.443 120.500 -0.422 0.000 2.127 123 R HA -0.048 4.087 4.340 -0.342 0.000 0.238 123 R C 2.351 178.596 176.300 -0.092 0.000 1.134 123 R CA 0.467 56.308 56.100 -0.431 0.000 0.975 123 R CB -0.832 28.968 30.300 -0.833 0.000 0.865 123 R HN 0.334 nan 8.270 nan 0.000 0.447 124 L N 0.842 121.982 121.223 -0.140 0.000 2.156 124 L HA -0.072 4.063 4.340 -0.342 0.000 0.208 124 L C 2.297 179.153 176.870 -0.023 0.000 1.095 124 L CA 1.399 56.200 54.840 -0.066 0.000 0.770 124 L CB -0.317 41.688 42.059 -0.089 0.000 0.914 124 L HN 0.229 nan 8.230 nan 0.000 0.439 125 S N -2.470 113.209 115.700 -0.035 0.000 2.524 125 S HA -0.041 4.223 4.470 -0.342 0.000 0.216 125 S C 1.329 175.938 174.600 0.014 0.000 0.987 125 S CA 0.066 58.256 58.200 -0.015 0.000 0.909 125 S CB -0.081 63.099 63.200 -0.033 0.000 0.781 125 S HN 0.242 nan 8.310 nan 0.000 0.521 126 D N 2.115 122.544 120.400 0.049 0.000 2.178 126 D HA 0.107 4.542 4.640 -0.342 0.000 0.201 126 D C 1.847 178.183 176.300 0.061 0.000 0.980 126 D CA 1.647 55.702 54.000 0.091 0.000 0.842 126 D CB -0.664 40.282 40.800 0.243 0.000 0.948 126 D HN 0.636 nan 8.370 nan 0.000 0.472 127 G N -0.496 108.334 108.800 0.050 0.000 2.284 127 G HA2 -0.293 3.461 3.960 -0.342 0.000 0.247 127 G HA3 -0.293 3.461 3.960 -0.342 0.000 0.247 127 G C 0.372 175.285 174.900 0.022 0.000 1.012 127 G CA 0.371 45.494 45.100 0.038 0.000 0.618 127 G HN 0.349 nan 8.290 nan 0.000 0.521 128 L N 1.291 122.485 121.223 -0.050 0.000 2.453 128 L HA 0.581 4.715 4.340 -0.342 0.000 0.261 128 L C 1.437 178.112 176.870 -0.326 0.000 1.179 128 L CA -0.149 54.568 54.840 -0.205 0.000 0.813 128 L CB 0.668 42.454 42.059 -0.456 0.000 1.110 128 L HN 0.233 nan 8.230 nan 0.000 0.466 129 G N 0.804 109.463 108.800 -0.235 0.000 2.395 129 G HA2 0.536 4.290 3.960 -0.342 0.000 0.283 129 G HA3 0.536 4.290 3.960 -0.342 0.000 0.283 129 G C -1.133 173.526 174.900 -0.402 0.000 1.178 129 G CA -0.222 44.791 45.100 -0.144 0.000 0.837 129 G HN 0.270 nan 8.290 nan 0.000 0.518 130 F N 0.452 120.533 119.950 0.217 0.000 2.563 130 F HA 0.712 5.035 4.527 -0.341 0.000 0.316 130 F C -0.205 175.854 175.800 0.432 0.000 1.076 130 F CA -0.852 57.295 58.000 0.244 0.000 0.921 130 F CB 2.396 41.516 39.000 0.199 0.000 1.209 130 F HN 0.589 nan 8.300 nan 0.000 0.462 131 F N -0.597 119.674 119.950 0.536 0.000 2.654 131 F HA 0.817 5.134 4.527 -0.349 0.000 0.308 131 F C -1.482 174.381 175.800 0.105 0.000 1.108 131 F CA -1.438 56.715 58.000 0.256 0.000 0.957 131 F CB 1.831 40.808 39.000 -0.037 0.000 1.309 131 F HN 0.330 nan 8.300 nan 0.000 0.446 132 R N 1.601 122.142 120.500 0.068 0.000 2.483 132 R HA 0.386 4.521 4.340 -0.342 0.000 0.303 132 R C -1.519 174.787 176.300 0.011 0.000 0.987 132 R CA -0.745 55.301 56.100 -0.090 0.000 0.881 132 R CB 2.262 32.248 30.300 -0.524 0.000 1.177 132 R HN 0.797 nan 8.270 nan 0.000 0.451 133 E N 4.180 124.506 120.200 0.211 0.000 2.183 133 E HA 0.318 4.463 4.350 -0.342 0.000 0.250 133 E C -0.680 176.056 176.600 0.227 0.000 0.901 133 E CA -0.227 56.348 56.400 0.292 0.000 0.741 133 E CB 1.414 31.367 29.700 0.422 0.000 1.182 133 E HN 0.381 nan 8.360 nan 0.000 0.425 134 I N 3.522 124.076 120.570 -0.026 0.000 2.389 134 I HA 0.369 4.333 4.170 -0.342 0.000 0.288 134 I C -0.347 175.634 176.117 -0.228 0.000 0.999 134 I CA -1.188 60.062 61.300 -0.083 0.000 1.129 134 I CB 1.445 39.354 38.000 -0.151 0.000 1.288 134 I HN 0.168 nan 8.210 nan 0.000 0.444 135 V N 2.573 122.371 119.914 -0.193 0.000 2.876 135 V HA 0.951 4.866 4.120 -0.342 0.000 0.312 135 V C -0.377 175.597 176.094 -0.199 0.000 1.085 135 V CA -0.675 61.355 62.300 -0.450 0.000 0.945 135 V CB 1.851 33.112 31.823 -0.937 0.000 1.017 135 V HN 0.789 nan 8.190 nan 0.000 0.428 136 A N 4.481 127.236 122.820 -0.108 0.000 2.943 136 A HA 0.805 4.919 4.320 -0.342 0.000 0.327 136 A C -2.716 175.054 177.584 0.311 0.000 1.141 136 A CA -1.430 50.670 52.037 0.105 0.000 0.773 136 A CB 0.689 19.709 19.000 0.033 0.000 1.143 136 A HN 0.732 nan 8.150 nan 0.000 0.463 137 P HA 0.250 nan 4.420 nan 0.000 0.279 137 P C -0.260 177.274 177.300 0.389 0.000 1.239 137 P CA -0.171 63.227 63.100 0.496 0.000 0.789 137 P CB 0.920 32.937 31.700 0.528 0.000 0.933 138 R N 1.669 122.357 120.500 0.314 0.000 2.827 138 R HA 0.204 4.339 4.340 -0.342 0.000 0.269 138 R C 1.762 178.242 176.300 0.299 0.000 1.048 138 R CA -0.080 56.175 56.100 0.259 0.000 1.173 138 R CB -0.092 30.313 30.300 0.174 0.000 1.070 138 R HN 0.489 nan 8.270 nan 0.000 0.498 139 A N 1.712 124.662 122.820 0.215 0.000 1.978 139 A HA -0.227 3.887 4.320 -0.342 0.000 0.220 139 A C 1.816 179.313 177.584 -0.145 0.000 1.170 139 A CA 1.961 54.033 52.037 0.060 0.000 0.636 139 A CB -0.600 18.452 19.000 0.087 0.000 0.810 139 A HN 0.899 nan 8.150 nan 0.000 0.448 140 E N -0.649 119.540 120.200 -0.018 0.000 2.482 140 E HA -0.114 4.031 4.350 -0.342 0.000 0.196 140 E C 1.273 177.910 176.600 0.061 0.000 1.047 140 E CA 0.832 57.216 56.400 -0.027 0.000 0.869 140 E CB -0.176 29.527 29.700 0.006 0.000 0.836 140 E HN 0.749 nan 8.360 nan 0.000 0.520 141 Q N 0.184 120.063 119.800 0.132 0.000 2.219 141 Q HA 0.209 4.344 4.340 -0.342 0.000 0.209 141 Q C -0.793 175.452 176.000 0.408 0.000 0.854 141 Q CA -0.259 55.719 55.803 0.291 0.000 0.960 141 Q CB 0.403 29.287 28.738 0.244 0.000 1.116 141 Q HN 0.354 nan 8.270 nan 0.000 0.500 142 F N -0.671 119.307 119.950 0.047 0.000 2.613 142 F HA 0.677 5.000 4.527 -0.340 0.000 0.310 142 F C -1.173 174.351 175.800 -0.461 0.000 1.085 142 F CA -1.405 56.476 58.000 -0.198 0.000 0.945 142 F CB 1.319 40.313 39.000 -0.009 0.000 1.298 142 F HN -0.172 nan 8.300 nan 0.000 0.455 143 E N 0.007 119.896 120.200 -0.517 0.000 2.343 143 E HA 0.718 4.862 4.350 -0.342 0.000 0.270 143 E C -1.360 175.186 176.600 -0.089 0.000 0.895 143 E CA -0.805 55.326 56.400 -0.449 0.000 0.767 143 E CB 2.011 31.286 29.700 -0.709 0.000 1.248 143 E HN 0.843 nan 8.360 nan 0.000 0.440 144 T N -0.079 114.443 114.554 -0.054 0.000 2.916 144 T HA 0.729 4.873 4.350 -0.342 0.000 0.292 144 T C -1.113 173.436 174.700 -0.252 0.000 1.055 144 T CA -0.982 61.063 62.100 -0.091 0.000 1.009 144 T CB 1.247 70.121 68.868 0.009 0.000 1.118 144 T HN 0.551 nan 8.240 nan 0.000 0.497 145 L N 1.844 122.744 121.223 -0.539 0.000 2.505 145 L HA 0.648 4.783 4.340 -0.342 0.000 0.266 145 L C -2.208 174.211 176.870 -0.752 0.000 0.954 145 L CA -0.648 53.873 54.840 -0.531 0.000 0.852 145 L CB 1.553 43.319 42.059 -0.488 0.000 1.282 145 L HN 0.839 nan 8.230 nan 0.000 0.403 146 Y N 3.246 123.439 120.300 -0.179 0.000 2.376 146 Y HA 0.656 5.000 4.550 -0.343 0.000 0.340 146 Y C 0.661 176.454 175.900 -0.177 0.000 0.965 146 Y CA -0.614 57.253 58.100 -0.389 0.000 1.078 146 Y CB 2.274 40.270 38.460 -0.772 0.000 1.193 146 Y HN 0.660 nan 8.280 nan 0.000 0.452 147 A N 4.154 127.000 122.820 0.044 0.000 2.579 147 A HA 0.486 4.600 4.320 -0.342 0.000 0.273 147 A C -0.627 177.297 177.584 0.566 0.000 1.363 147 A CA 0.058 52.304 52.037 0.348 0.000 0.953 147 A CB -1.277 17.909 19.000 0.310 0.000 1.034 147 A HN 0.626 nan 8.150 nan 0.000 0.536 148 F N -5.375 114.818 119.950 0.405 0.000 2.817 148 F HA 0.529 4.848 4.527 -0.347 0.000 0.317 148 F C 0.270 175.868 175.800 -0.337 0.000 1.168 148 F CA -0.986 57.003 58.000 -0.018 0.000 0.911 148 F CB 0.721 39.713 39.000 -0.014 0.000 1.337 148 F HN -0.114 nan 8.300 nan 0.000 0.464 149 Q N -0.460 119.115 119.800 -0.375 0.000 2.391 149 Q HA 0.148 4.282 4.340 -0.342 0.000 0.243 149 Q C -0.350 175.481 176.000 -0.282 0.000 0.874 149 Q CA 0.070 55.513 55.803 -0.599 0.000 0.950 149 Q CB 0.907 29.130 28.738 -0.858 0.000 1.103 149 Q HN 0.682 nan 8.270 nan 0.000 0.544 150 E N 1.083 121.223 120.200 -0.100 0.000 2.212 150 E HA 0.134 4.279 4.350 -0.342 0.000 0.270 150 E C -0.786 175.762 176.600 -0.087 0.000 0.956 150 E CA -0.454 55.875 56.400 -0.118 0.000 0.825 150 E CB 0.979 30.601 29.700 -0.131 0.000 1.167 150 E HN -0.030 nan 8.360 nan 0.000 0.400 151 D N 1.436 121.744 120.400 -0.155 0.000 2.812 151 D HA -0.158 4.277 4.640 -0.342 0.000 0.237 151 D C -0.259 175.921 176.300 -0.200 0.000 1.162 151 D CA 0.563 54.453 54.000 -0.184 0.000 0.740 151 D CB -1.029 39.664 40.800 -0.178 0.000 1.000 151 D HN 0.439 nan 8.370 nan 0.000 0.416 152 L N 0.943 121.995 121.223 -0.285 0.000 2.513 152 L HA 0.174 4.309 4.340 -0.342 0.000 0.272 152 L C -1.162 175.458 176.870 -0.417 0.000 1.187 152 L CA -0.942 53.645 54.840 -0.421 0.000 0.895 152 L CB -0.141 41.524 42.059 -0.657 0.000 1.147 152 L HN 0.014 nan 8.230 nan 0.000 0.483 153 P HA 0.337 nan 4.420 nan 0.000 0.281 153 P C 0.407 177.474 177.300 -0.388 0.000 1.281 153 P CA 0.174 63.045 63.100 -0.380 0.000 0.811 153 P CB 1.193 32.670 31.700 -0.372 0.000 1.154 154 G N -0.464 108.158 108.800 -0.297 0.000 2.596 154 G HA2 -0.332 3.422 3.960 -0.342 0.000 0.295 154 G HA3 -0.332 3.422 3.960 -0.342 0.000 0.295 154 G C 0.974 175.236 174.900 -1.063 0.000 1.240 154 G CA 0.300 45.122 45.100 -0.464 0.000 0.985 154 G HN 0.489 nan 8.290 nan 0.000 0.555 155 V N 1.994 121.357 119.914 -0.919 0.000 2.626 155 V HA 0.123 4.038 4.120 -0.342 0.000 0.252 155 V C 2.944 178.814 176.094 -0.374 0.000 1.067 155 V CA 3.074 64.921 62.300 -0.755 0.000 1.081 155 V CB -0.911 30.697 31.823 -0.358 0.000 0.686 155 V HN 1.629 nan 8.190 nan 0.000 0.468 156 G N -0.619 108.053 108.800 -0.213 0.000 2.462 156 G HA2 -0.225 3.530 3.960 -0.342 0.000 0.220 156 G HA3 -0.225 3.530 3.960 -0.342 0.000 0.220 156 G C 1.692 176.405 174.900 -0.311 0.000 1.121 156 G CA 0.895 45.898 45.100 -0.162 0.000 0.758 156 G HN 0.708 nan 8.290 nan 0.000 0.559 157 A N 0.376 122.911 122.820 -0.475 0.000 2.015 157 A HA 0.116 4.231 4.320 -0.342 0.000 0.219 157 A C 2.418 179.795 177.584 -0.346 0.000 1.163 157 A CA 1.990 53.703 52.037 -0.539 0.000 0.646 157 A CB -0.358 18.000 19.000 -1.071 0.000 0.806 157 A HN 0.962 nan 8.150 nan 0.000 0.448 158 V N -3.772 115.979 119.914 -0.272 0.000 3.621 158 V HA 0.329 4.244 4.120 -0.342 0.000 0.285 158 V C 0.843 176.895 176.094 -0.070 0.000 1.346 158 V CA -0.091 62.125 62.300 -0.141 0.000 1.104 158 V CB -0.894 30.877 31.823 -0.087 0.000 0.913 158 V HN 0.402 nan 8.190 nan 0.000 0.432 159 M N 0.698 120.256 119.600 -0.070 0.000 2.012 159 M HA 0.350 4.625 4.480 -0.342 0.000 0.248 159 M C 0.845 177.126 176.300 -0.031 0.000 1.238 159 M CA -0.125 55.175 55.300 -0.000 0.000 0.980 159 M CB 0.296 32.926 32.600 0.050 0.000 1.346 159 M HN 0.034 nan 8.290 nan 0.000 0.511 160 D N -0.469 119.926 120.400 -0.008 0.000 2.327 160 D HA 0.260 4.694 4.640 -0.342 0.000 0.205 160 D C 0.608 176.883 176.300 -0.041 0.000 0.989 160 D CA 0.591 54.578 54.000 -0.023 0.000 0.873 160 D CB 0.643 41.440 40.800 -0.006 0.000 0.955 160 D HN 0.743 nan 8.370 nan 0.000 0.515 161 G N -0.222 108.552 108.800 -0.044 0.000 2.325 161 G HA2 0.361 4.116 3.960 -0.342 0.000 0.295 161 G HA3 0.361 4.116 3.960 -0.342 0.000 0.295 161 G C -1.894 172.970 174.900 -0.062 0.000 1.274 161 G CA -0.739 44.324 45.100 -0.062 0.000 0.857 161 G HN 0.017 nan 8.290 nan 0.000 0.499 162 I N 0.997 121.528 120.570 -0.064 0.000 2.562 162 I HA 0.668 4.632 4.170 -0.342 0.000 0.301 162 I C 0.971 177.109 176.117 0.035 0.000 1.003 162 I CA -0.429 60.844 61.300 -0.045 0.000 1.127 162 I CB 1.988 39.907 38.000 -0.135 0.000 1.304 162 I HN 0.865 nan 8.210 nan 0.000 0.446 163 S N 4.469 120.238 115.700 0.114 0.000 2.655 163 S HA 0.722 4.986 4.470 -0.342 0.000 0.265 163 S C 0.449 175.204 174.600 0.259 0.000 1.240 163 S CA -0.236 58.054 58.200 0.149 0.000 0.986 163 S CB 0.708 63.992 63.200 0.140 0.000 0.985 163 S HN 0.886 nan 8.310 nan 0.000 0.562 164 G N -0.538 108.388 108.800 0.209 0.000 2.553 164 G HA2 0.354 4.109 3.960 -0.342 0.000 0.278 164 G HA3 0.354 4.109 3.960 -0.342 0.000 0.278 164 G C -0.667 174.341 174.900 0.180 0.000 1.349 164 G CA -0.888 44.370 45.100 0.263 0.000 1.037 164 G HN 0.828 nan 8.290 nan 0.000 0.508 165 E N -0.606 119.596 120.200 0.003 0.000 2.415 165 E HA 0.178 4.322 4.350 -0.342 0.000 0.263 165 E C 0.180 176.678 176.600 -0.170 0.000 0.995 165 E CA 0.232 56.429 56.400 -0.339 0.000 0.915 165 E CB 0.717 30.244 29.700 -0.288 0.000 0.951 165 E HN 0.427 nan 8.360 nan 0.000 0.449 166 I N -0.134 120.322 120.570 -0.188 0.000 2.577 166 I HA 0.249 4.213 4.170 -0.342 0.000 0.305 166 I C 0.897 177.041 176.117 0.046 0.000 0.986 166 I CA -0.612 60.661 61.300 -0.044 0.000 1.189 166 I CB 1.374 39.357 38.000 -0.029 0.000 1.355 166 I HN 0.383 nan 8.210 nan 0.000 0.476 167 N N 2.093 120.830 118.700 0.062 0.000 2.250 167 N HA -0.070 4.465 4.740 -0.342 0.000 0.181 167 N C 0.195 175.839 175.510 0.223 0.000 1.017 167 N CA 0.827 53.948 53.050 0.118 0.000 0.866 167 N CB 0.266 38.817 38.487 0.106 0.000 0.985 167 N HN 0.714 nan 8.380 nan 0.000 0.429 168 E N 0.581 120.874 120.200 0.155 0.000 2.148 168 E HA 0.080 4.224 4.350 -0.342 0.000 0.308 168 E C -0.803 175.798 176.600 0.002 0.000 1.278 168 E CA -0.005 56.468 56.400 0.122 0.000 1.368 168 E CB -0.201 29.537 29.700 0.064 0.000 1.229 168 E HN 0.530 nan 8.360 nan 0.000 0.494 169 H N -2.879 116.125 119.070 -0.111 0.000 2.981 169 H HA 0.640 4.990 4.556 -0.342 0.000 0.327 169 H C 0.566 175.766 175.328 -0.212 0.000 1.342 169 H CA -0.740 55.123 56.048 -0.309 0.000 1.123 169 H CB 0.911 30.537 29.762 -0.227 0.000 1.851 169 H HN 0.127 nan 8.280 nan 0.000 0.531 170 G N -0.325 108.288 108.800 -0.311 0.000 2.141 170 G HA2 -0.148 3.606 3.960 -0.342 0.000 0.231 170 G HA3 -0.148 3.606 3.960 -0.342 0.000 0.231 170 G C -0.684 174.201 174.900 -0.026 0.000 0.984 170 G CA 0.373 45.375 45.100 -0.163 0.000 0.660 170 G HN 1.209 nan 8.290 nan 0.000 0.525 171 Y N -3.813 116.321 120.300 -0.277 0.000 2.521 171 Y HA 0.614 4.960 4.550 -0.340 0.000 0.332 171 Y C -0.171 175.536 175.900 -0.322 0.000 1.121 171 Y CA -3.397 54.495 58.100 -0.346 0.000 1.037 171 Y CB 0.268 38.542 38.460 -0.310 0.000 1.330 171 Y HN 0.119 nan 8.280 nan 0.000 0.452 172 W N 2.899 124.225 121.300 0.042 0.000 2.223 172 W HA 0.420 4.872 4.660 -0.347 0.000 0.334 172 W C 1.181 177.713 176.519 0.023 0.000 1.334 172 W CA 1.654 58.985 57.345 -0.023 0.000 1.246 172 W CB 0.614 30.050 29.460 -0.039 0.000 1.184 172 W HN 1.190 nan 8.180 nan 0.000 0.563 173 G N 0.120 109.037 108.800 0.194 0.000 2.234 173 G HA2 -0.423 3.331 3.960 -0.342 0.000 0.235 173 G HA3 -0.423 3.331 3.960 -0.342 0.000 0.235 173 G C 1.316 176.214 174.900 -0.004 0.000 0.997 173 G CA 0.431 45.610 45.100 0.131 0.000 0.623 173 G HN 0.734 nan 8.290 nan 0.000 0.514 174 S N 0.198 115.679 115.700 -0.364 0.000 2.399 174 S HA -0.035 4.229 4.470 -0.342 0.000 0.231 174 S C 2.345 176.844 174.600 -0.168 0.000 1.022 174 S CA 1.859 59.706 58.200 -0.589 0.000 0.983 174 S CB -0.372 62.080 63.200 -1.247 0.000 0.803 174 S HN 0.927 nan 8.310 nan 0.000 0.480 175 M N 1.813 121.385 119.600 -0.046 0.000 2.073 175 M HA -0.191 4.083 4.480 -0.342 0.000 0.258 175 M C 2.552 178.993 176.300 0.235 0.000 1.070 175 M CA 2.088 57.449 55.300 0.102 0.000 1.103 175 M CB -0.301 32.393 32.600 0.156 0.000 1.321 175 M HN 0.402 nan 8.290 nan 0.000 0.405 176 R N 0.237 120.864 120.500 0.210 0.000 2.103 176 R HA -0.198 3.937 4.340 -0.342 0.000 0.242 176 R C 1.702 178.139 176.300 0.228 0.000 1.142 176 R CA 2.378 58.613 56.100 0.226 0.000 0.960 176 R CB -0.383 29.960 30.300 0.072 0.000 0.858 176 R HN 0.597 nan 8.270 nan 0.000 0.439 177 E N -0.391 119.881 120.200 0.120 0.000 2.347 177 E HA -0.125 4.020 4.350 -0.342 0.000 0.196 177 E C 1.960 178.595 176.600 0.059 0.000 1.008 177 E CA 0.546 56.993 56.400 0.078 0.000 0.852 177 E CB 0.099 29.847 29.700 0.079 0.000 0.783 177 E HN 0.377 nan 8.360 nan 0.000 0.505 178 R N 0.073 120.603 120.500 0.050 0.000 2.236 178 R HA 0.025 4.160 4.340 -0.342 0.000 0.208 178 R C 0.110 176.353 176.300 -0.095 0.000 1.036 178 R CA 0.168 56.243 56.100 -0.042 0.000 1.001 178 R CB 0.007 30.250 30.300 -0.095 0.000 0.896 178 R HN 0.034 nan 8.270 nan 0.000 0.464 179 F N 1.913 121.819 119.950 -0.075 0.000 2.502 179 F HA 0.115 4.434 4.527 -0.347 0.000 0.371 179 F C -1.306 174.428 175.800 -0.109 0.000 1.083 179 F CA -2.247 55.695 58.000 -0.096 0.000 1.174 179 F CB 0.874 39.830 39.000 -0.073 0.000 1.096 179 F HN -0.166 nan 8.300 nan 0.000 0.545 180 P HA -0.211 nan 4.420 nan 0.000 0.218 180 P C 1.969 179.262 177.300 -0.013 0.000 1.148 180 P CA 1.292 64.367 63.100 -0.043 0.000 0.822 180 P CB 0.204 31.835 31.700 -0.114 0.000 0.784 181 I N -0.290 120.300 120.570 0.033 0.000 2.756 181 I HA -0.179 3.785 4.170 -0.342 0.000 0.262 181 I C 1.751 177.837 176.117 -0.053 0.000 1.225 181 I CA 1.082 62.380 61.300 -0.003 0.000 1.472 181 I CB -0.176 37.835 38.000 0.018 0.000 1.094 181 I HN 0.024 nan 8.210 nan 0.000 0.454 182 S N -0.229 115.451 115.700 -0.032 0.000 2.500 182 S HA -0.229 4.035 4.470 -0.342 0.000 0.239 182 S C 1.679 176.182 174.600 -0.161 0.000 0.989 182 S CA 0.830 58.966 58.200 -0.108 0.000 0.951 182 S CB -0.370 62.807 63.200 -0.038 0.000 0.759 182 S HN 0.592 nan 8.310 nan 0.000 0.523 183 Q N 0.854 120.585 119.800 -0.114 0.000 2.224 183 Q HA -0.046 4.089 4.340 -0.342 0.000 0.203 183 Q C 2.045 177.950 176.000 -0.158 0.000 0.970 183 Q CA 1.683 57.414 55.803 -0.121 0.000 0.865 183 Q CB -0.175 28.514 28.738 -0.082 0.000 0.922 183 Q HN 0.960 nan 8.270 nan 0.000 0.445 184 T N -4.566 109.887 114.554 -0.167 0.000 2.993 184 T HA 0.125 4.269 4.350 -0.342 0.000 0.260 184 T C 0.023 174.588 174.700 -0.225 0.000 0.939 184 T CA -0.423 61.575 62.100 -0.171 0.000 0.886 184 T CB 0.669 69.481 68.868 -0.093 0.000 1.209 184 T HN -0.052 nan 8.240 nan 0.000 0.518 185 D N -0.852 119.404 120.400 -0.241 0.000 2.619 185 D HA 0.287 4.722 4.640 -0.342 0.000 0.241 185 D C -0.697 175.459 176.300 -0.240 0.000 1.087 185 D CA -0.645 53.240 54.000 -0.191 0.000 0.851 185 D CB 1.901 42.661 40.800 -0.067 0.000 1.474 185 D HN 0.220 nan 8.370 nan 0.000 0.478 186 W N 2.697 123.974 121.300 -0.038 0.000 2.937 186 W HA 0.135 4.588 4.660 -0.344 0.000 0.245 186 W C 1.318 177.785 176.519 -0.086 0.000 1.306 186 W CA -0.224 57.090 57.345 -0.053 0.000 1.470 186 W CB -0.113 29.328 29.460 -0.033 0.000 1.132 186 W HN 0.390 nan 8.180 nan 0.000 0.675 187 M N 1.463 121.114 119.600 0.086 0.000 2.175 187 M HA -0.307 3.968 4.480 -0.342 0.000 0.192 187 M C 0.307 176.633 176.300 0.044 0.000 0.473 187 M CA 0.758 56.055 55.300 -0.006 0.000 0.414 187 M CB -1.453 31.035 32.600 -0.188 0.000 1.069 187 M HN 0.198 nan 8.290 nan 0.000 0.933 188 Q N 1.157 121.020 119.800 0.106 0.000 2.288 188 Q HA 0.619 4.754 4.340 -0.342 0.000 0.258 188 Q C 0.103 176.157 176.000 0.090 0.000 0.957 188 Q CA 0.149 56.003 55.803 0.085 0.000 0.919 188 Q CB 1.311 30.095 28.738 0.077 0.000 1.185 188 Q HN 0.521 nan 8.270 nan 0.000 0.408 189 A N 3.401 126.278 122.820 0.096 0.000 2.462 189 A HA 0.411 4.525 4.320 -0.342 0.000 0.243 189 A C -0.339 177.302 177.584 0.095 0.000 1.076 189 A CA 0.361 52.494 52.037 0.160 0.000 0.773 189 A CB 0.297 19.417 19.000 0.201 0.000 1.010 189 A HN 0.837 nan 8.150 nan 0.000 0.493 190 S N 0.799 116.571 115.700 0.121 0.000 2.550 190 S HA 0.846 5.110 4.470 -0.342 0.000 0.270 190 S C -0.062 174.539 174.600 0.003 0.000 1.145 190 S CA 0.269 58.489 58.200 0.033 0.000 0.852 190 S CB 1.046 64.281 63.200 0.059 0.000 1.119 190 S HN 2.815 nan 8.310 nan 0.000 0.465 191 G N 1.378 110.141 108.800 -0.062 0.000 2.660 191 G HA2 0.170 3.925 3.960 -0.342 0.000 0.247 191 G HA3 0.170 3.925 3.960 -0.342 0.000 0.247 191 G C -1.425 173.354 174.900 -0.202 0.000 1.328 191 G CA -0.313 44.764 45.100 -0.037 0.000 0.884 191 G HN 1.014 nan 8.290 nan 0.000 0.531 192 E N -1.171 118.981 120.200 -0.080 0.000 2.227 192 E HA 0.622 4.767 4.350 -0.342 0.000 0.268 192 E C -0.148 176.486 176.600 0.057 0.000 0.907 192 E CA -0.953 55.363 56.400 -0.140 0.000 0.786 192 E CB 1.993 31.462 29.700 -0.385 0.000 1.191 192 E HN 0.750 nan 8.360 nan 0.000 0.411 193 L N 2.897 124.173 121.223 0.088 0.000 2.385 193 L HA 0.284 4.418 4.340 -0.342 0.000 0.281 193 L C -0.827 175.982 176.870 -0.103 0.000 1.106 193 L CA 0.510 55.343 54.840 -0.010 0.000 0.856 193 L CB -0.170 41.692 42.059 -0.329 0.000 1.186 193 L HN 0.418 nan 8.230 nan 0.000 0.453 194 R N 3.666 124.148 120.500 -0.031 0.000 2.561 194 R HA 0.554 4.689 4.340 -0.342 0.000 0.297 194 R C -1.067 175.253 176.300 0.034 0.000 0.969 194 R CA -1.001 55.090 56.100 -0.014 0.000 0.879 194 R CB 1.891 32.228 30.300 0.062 0.000 1.178 194 R HN 0.374 nan 8.270 nan 0.000 0.445 195 V N 5.124 125.053 119.914 0.024 0.000 2.529 195 V HA 0.034 3.948 4.120 -0.342 0.000 0.292 195 V C 1.374 177.510 176.094 0.070 0.000 1.028 195 V CA 0.440 62.765 62.300 0.042 0.000 1.074 195 V CB 0.486 32.320 31.823 0.018 0.000 0.958 195 V HN 0.816 nan 8.190 nan 0.000 0.481 196 I N 1.739 122.354 120.570 0.075 0.000 4.288 196 I HA 0.739 4.703 4.170 -0.342 0.000 0.331 196 I C 0.619 176.772 176.117 0.060 0.000 1.322 196 I CA 0.081 61.424 61.300 0.072 0.000 1.149 196 I CB 0.580 38.625 38.000 0.075 0.000 1.112 196 I HN 0.525 nan 8.210 nan 0.000 0.403 197 A N 0.977 123.835 122.820 0.063 0.000 2.547 197 A HA 0.761 4.876 4.320 -0.342 0.000 0.297 197 A C 0.054 177.670 177.584 0.053 0.000 1.056 197 A CA -0.070 51.999 52.037 0.053 0.000 0.688 197 A CB 0.713 19.747 19.000 0.056 0.000 1.282 197 A HN 1.002 nan 8.150 nan 0.000 0.400 198 G N 0.537 109.359 108.800 0.036 0.000 2.725 198 G HA2 0.318 4.072 3.960 -0.342 0.000 0.220 198 G HA3 0.318 4.072 3.960 -0.342 0.000 0.220 198 G C -0.937 173.975 174.900 0.019 0.000 1.357 198 G CA 0.195 45.312 45.100 0.029 0.000 0.866 198 G HN 1.560 nan 8.290 nan 0.000 0.548 199 D N -0.253 120.153 120.400 0.009 0.000 2.736 199 D HA 0.565 4.999 4.640 -0.342 0.000 0.243 199 D C -1.377 174.912 176.300 -0.018 0.000 1.304 199 D CA -1.657 52.340 54.000 -0.005 0.000 0.934 199 D CB 1.915 42.712 40.800 -0.005 0.000 1.382 199 D HN 0.022 nan 8.370 nan 0.000 0.571 200 P HA -0.069 nan 4.420 nan 0.000 0.216 200 P C 1.019 178.284 177.300 -0.057 0.000 1.150 200 P CA 1.193 64.248 63.100 -0.074 0.000 0.837 200 P CB 0.269 31.899 31.700 -0.117 0.000 0.786 201 A N -0.917 121.878 122.820 -0.041 0.000 2.121 201 A HA -0.064 4.050 4.320 -0.342 0.000 0.218 201 A C 2.009 179.583 177.584 -0.017 0.000 1.154 201 A CA 1.362 53.381 52.037 -0.029 0.000 0.679 201 A CB -1.169 17.817 19.000 -0.024 0.000 0.795 201 A HN 0.119 nan 8.150 nan 0.000 0.458 202 V N -1.665 118.241 119.914 -0.014 0.000 3.644 202 V HA 0.381 4.295 4.120 -0.342 0.000 0.267 202 V C 1.547 177.640 176.094 -0.003 0.000 1.277 202 V CA 0.612 62.909 62.300 -0.006 0.000 1.096 202 V CB -1.169 30.651 31.823 -0.005 0.000 0.828 202 V HN 1.023 nan 8.190 nan 0.000 0.446 203 G N 0.297 109.093 108.800 -0.006 0.000 2.512 203 G HA2 0.231 3.986 3.960 -0.342 0.000 0.240 203 G HA3 0.231 3.986 3.960 -0.342 0.000 0.240 203 G C 0.659 175.565 174.900 0.010 0.000 1.246 203 G CA -0.349 44.752 45.100 0.002 0.000 0.919 203 G HN 1.698 nan 8.290 nan 0.000 0.577 204 G N -0.459 108.349 108.800 0.013 0.000 2.564 204 G HA2 -0.072 3.682 3.960 -0.342 0.000 0.273 204 G HA3 -0.072 3.682 3.960 -0.342 0.000 0.273 204 G C 0.238 175.149 174.900 0.019 0.000 1.242 204 G CA 1.019 46.121 45.100 0.004 0.000 0.951 204 G HN 1.480 nan 8.290 nan 0.000 0.564 205 R N -0.351 120.150 120.500 0.003 0.000 2.234 205 R HA 0.519 4.653 4.340 -0.342 0.000 0.324 205 R C -0.401 175.943 176.300 0.074 0.000 1.054 205 R CA -0.440 55.676 56.100 0.026 0.000 0.912 205 R CB 1.395 31.678 30.300 -0.028 0.000 1.030 205 R HN 0.417 nan 8.270 nan 0.000 0.455 206 V N 3.591 123.594 119.914 0.148 0.000 2.680 206 V HA 0.433 4.348 4.120 -0.342 0.000 0.309 206 V C -0.293 175.944 176.094 0.239 0.000 1.052 206 V CA -0.910 61.484 62.300 0.157 0.000 0.908 206 V CB 2.264 34.160 31.823 0.123 0.000 1.001 206 V HN 0.410 nan 8.190 nan 0.000 0.431 207 V N 4.443 124.467 119.914 0.183 0.000 2.531 207 V HA 0.560 4.474 4.120 -0.342 0.000 0.301 207 V C -0.465 175.733 176.094 0.173 0.000 1.034 207 V CA -0.541 61.876 62.300 0.194 0.000 0.865 207 V CB 2.007 33.914 31.823 0.139 0.000 0.995 207 V HN 0.629 nan 8.190 nan 0.000 0.424 208 V N 5.015 125.067 119.914 0.229 0.000 2.495 208 V HA 0.577 4.491 4.120 -0.342 0.000 0.298 208 V C -0.073 176.146 176.094 0.208 0.000 1.031 208 V CA -0.838 61.582 62.300 0.200 0.000 0.871 208 V CB 2.027 33.973 31.823 0.206 0.000 0.988 208 V HN 0.882 nan 8.190 nan 0.000 0.432 209 R N 2.530 123.117 120.500 0.145 0.000 2.346 209 R HA 0.651 4.786 4.340 -0.342 0.000 0.311 209 R C 0.458 176.856 176.300 0.164 0.000 0.983 209 R CA -0.073 56.096 56.100 0.114 0.000 0.880 209 R CB 1.403 31.751 30.300 0.080 0.000 1.100 209 R HN 0.929 nan 8.270 nan 0.000 0.453 210 G N 1.729 110.636 108.800 0.179 0.000 2.684 210 G HA2 0.167 3.921 3.960 -0.342 0.000 0.255 210 G HA3 0.167 3.921 3.960 -0.342 0.000 0.255 210 G C -0.765 174.230 174.900 0.159 0.000 1.219 210 G CA -0.337 44.890 45.100 0.211 0.000 0.901 210 G HN 0.842 nan 8.290 nan 0.000 0.548 211 H N -2.130 117.065 119.070 0.207 0.000 2.737 211 H HA 0.571 4.922 4.556 -0.341 0.000 0.358 211 H C -0.840 174.610 175.328 0.204 0.000 1.187 211 H CA -1.211 54.939 56.048 0.170 0.000 1.221 211 H CB 0.656 30.502 29.762 0.140 0.000 1.799 211 H HN 0.240 nan 8.280 nan 0.000 0.568 212 D N 1.149 121.756 120.400 0.346 0.000 2.533 212 D HA -0.007 4.427 4.640 -0.342 0.000 0.236 212 D C 0.145 176.621 176.300 0.294 0.000 1.137 212 D CA 0.760 54.919 54.000 0.266 0.000 0.867 212 D CB -0.078 40.846 40.800 0.207 0.000 1.170 212 D HN 0.628 nan 8.370 nan 0.000 0.474 213 N N 0.848 119.665 118.700 0.196 0.000 2.747 213 N HA -0.221 4.314 4.740 -0.342 0.000 0.249 213 N C -0.176 175.417 175.510 0.138 0.000 1.107 213 N CA 0.361 53.485 53.050 0.123 0.000 0.707 213 N CB -1.479 37.061 38.487 0.088 0.000 1.054 213 N HN 0.534 nan 8.380 nan 0.000 0.555 214 I N 0.653 121.299 120.570 0.126 0.000 2.880 214 I HA 0.011 3.975 4.170 -0.342 0.000 0.296 214 I C 1.165 177.381 176.117 0.164 0.000 1.220 214 I CA 0.521 61.923 61.300 0.171 0.000 1.435 214 I CB 0.386 38.519 38.000 0.221 0.000 1.339 214 I HN 0.255 nan 8.210 nan 0.000 0.583 215 A N 7.222 130.149 122.820 0.179 0.000 2.337 215 A HA 0.756 4.870 4.320 -0.342 0.000 0.329 215 A C -1.054 176.660 177.584 0.216 0.000 1.146 215 A CA -0.497 51.587 52.037 0.080 0.000 0.800 215 A CB 1.430 20.445 19.000 0.026 0.000 1.220 215 A HN 0.562 nan 8.150 nan 0.000 0.472 216 L N 2.913 124.224 121.223 0.147 0.000 2.376 216 L HA 0.731 4.865 4.340 -0.342 0.000 0.275 216 L C -0.994 175.938 176.870 0.103 0.000 0.987 216 L CA -0.407 54.515 54.840 0.137 0.000 0.828 216 L CB 1.298 43.525 42.059 0.279 0.000 1.249 216 L HN 0.682 nan 8.230 nan 0.000 0.409 217 I N 4.938 125.560 120.570 0.087 0.000 2.404 217 I HA 0.535 4.499 4.170 -0.342 0.000 0.293 217 I C -0.714 175.480 176.117 0.129 0.000 0.992 217 I CA -0.624 60.710 61.300 0.057 0.000 1.149 217 I CB 0.825 38.822 38.000 -0.005 0.000 1.315 217 I HN 0.839 nan 8.210 nan 0.000 0.446 218 R N 5.837 126.436 120.500 0.166 0.000 2.275 218 R HA 0.417 4.551 4.340 -0.342 0.000 0.326 218 R C -1.398 174.997 176.300 0.158 0.000 0.973 218 R CA -0.290 55.958 56.100 0.246 0.000 0.854 218 R CB 1.263 31.739 30.300 0.294 0.000 1.156 218 R HN 0.660 nan 8.270 nan 0.000 0.487 219 S N 2.850 118.649 115.700 0.164 0.000 2.530 219 S HA 0.639 4.903 4.470 -0.342 0.000 0.322 219 S C -0.512 174.089 174.600 0.001 0.000 1.085 219 S CA -0.482 57.742 58.200 0.041 0.000 1.096 219 S CB 1.341 64.638 63.200 0.162 0.000 0.988 219 S HN 0.796 nan 8.310 nan 0.000 0.466 220 G N 2.929 111.425 108.800 -0.506 0.000 2.473 220 G HA2 0.660 4.415 3.960 -0.342 0.000 0.321 220 G HA3 0.660 4.415 3.960 -0.342 0.000 0.321 220 G C -1.737 173.173 174.900 0.017 0.000 1.200 220 G CA -0.705 44.255 45.100 -0.234 0.000 0.963 220 G HN 0.590 nan 8.290 nan 0.000 0.483 221 Q N 0.181 120.190 119.800 0.348 0.000 2.323 221 Q HA 0.493 4.628 4.340 -0.342 0.000 0.271 221 Q C -1.586 174.662 176.000 0.413 0.000 1.048 221 Q CA -0.729 55.279 55.803 0.342 0.000 0.792 221 Q CB 2.943 31.896 28.738 0.358 0.000 1.280 221 Q HN 0.534 nan 8.270 nan 0.000 0.441 222 D N 1.584 122.143 120.400 0.265 0.000 2.575 222 D HA 0.282 4.717 4.640 -0.342 0.000 0.250 222 D C -1.097 175.243 176.300 0.066 0.000 1.279 222 D CA -0.735 53.325 54.000 0.100 0.000 0.925 222 D CB 0.513 41.313 40.800 0.001 0.000 1.261 222 D HN 0.734 nan 8.370 nan 0.000 0.567 223 W N 3.506 124.705 121.300 -0.168 0.000 2.818 223 W HA 0.589 5.035 4.660 -0.356 0.000 0.403 223 W C 0.761 177.239 176.519 -0.069 0.000 0.991 223 W CA -0.159 57.088 57.345 -0.163 0.000 1.925 223 W CB -0.112 29.203 29.460 -0.242 0.000 1.166 223 W HN 0.347 nan 8.180 nan 0.000 0.605 224 A N 0.910 123.526 122.820 -0.340 0.000 2.019 224 A HA -0.154 3.961 4.320 -0.342 0.000 0.219 224 A C 1.635 179.141 177.584 -0.131 0.000 1.164 224 A CA 1.952 53.809 52.037 -0.299 0.000 0.644 224 A CB -0.387 18.434 19.000 -0.297 0.000 0.805 224 A HN 0.327 nan 8.150 nan 0.000 0.449 225 D N -0.539 119.806 120.400 -0.091 0.000 2.369 225 D HA 0.319 4.754 4.640 -0.342 0.000 0.211 225 D C 0.746 177.042 176.300 -0.008 0.000 1.077 225 D CA 0.611 54.578 54.000 -0.055 0.000 0.842 225 D CB 0.095 40.848 40.800 -0.079 0.000 0.947 225 D HN 0.403 nan 8.370 nan 0.000 0.509 226 A N 1.064 123.904 122.820 0.033 0.000 2.407 226 A HA 0.140 4.254 4.320 -0.342 0.000 0.248 226 A C 0.817 178.445 177.584 0.073 0.000 1.082 226 A CA -0.089 51.990 52.037 0.071 0.000 0.785 226 A CB 0.962 20.039 19.000 0.129 0.000 1.020 226 A HN -0.135 nan 8.150 nan 0.000 0.489 227 E N 0.371 120.608 120.200 0.063 0.000 2.312 227 E HA 0.381 4.526 4.350 -0.342 0.000 0.259 227 E C 1.574 178.218 176.600 0.074 0.000 1.122 227 E CA 0.390 56.825 56.400 0.058 0.000 0.922 227 E CB 1.090 30.815 29.700 0.041 0.000 1.109 227 E HN 0.683 nan 8.360 nan 0.000 0.442 228 A N 1.866 124.725 122.820 0.065 0.000 1.903 228 A HA -0.275 3.840 4.320 -0.342 0.000 0.219 228 A C 1.561 179.185 177.584 0.067 0.000 1.191 228 A CA 2.562 54.640 52.037 0.069 0.000 0.638 228 A CB -0.721 18.311 19.000 0.053 0.000 0.823 228 A HN 0.720 nan 8.150 nan 0.000 0.451 229 D N -0.454 119.978 120.400 0.054 0.000 2.144 229 D HA -0.215 4.220 4.640 -0.342 0.000 0.199 229 D C 1.721 178.055 176.300 0.057 0.000 0.984 229 D CA 1.616 55.644 54.000 0.047 0.000 0.834 229 D CB -0.668 40.154 40.800 0.035 0.000 0.955 229 D HN 0.722 nan 8.370 nan 0.000 0.465 230 E N 0.337 120.580 120.200 0.071 0.000 2.122 230 E HA -0.069 4.075 4.350 -0.342 0.000 0.190 230 E C 2.307 178.983 176.600 0.128 0.000 0.977 230 E CA 0.060 56.514 56.400 0.090 0.000 0.820 230 E CB 0.127 29.880 29.700 0.088 0.000 0.770 230 E HN 0.107 nan 8.360 nan 0.000 0.462 231 R N 0.234 120.820 120.500 0.143 0.000 2.096 231 R HA -0.129 4.005 4.340 -0.342 0.000 0.240 231 R C 2.580 178.956 176.300 0.128 0.000 1.139 231 R CA 1.808 58.020 56.100 0.186 0.000 0.952 231 R CB -0.303 30.119 30.300 0.204 0.000 0.854 231 R HN 0.104 nan 8.270 nan 0.000 0.436 232 S N 1.044 116.796 115.700 0.087 0.000 2.368 232 S HA -0.101 4.164 4.470 -0.342 0.000 0.225 232 S C 1.917 176.533 174.600 0.026 0.000 1.030 232 S CA 0.825 59.052 58.200 0.045 0.000 0.999 232 S CB -0.192 63.031 63.200 0.037 0.000 0.844 232 S HN 0.246 nan 8.310 nan 0.000 0.459 233 L N -0.123 121.129 121.223 0.048 0.000 1.989 233 L HA -0.189 3.945 4.340 -0.342 0.000 0.211 233 L C 2.376 179.268 176.870 0.036 0.000 1.071 233 L CA 1.962 56.826 54.840 0.039 0.000 0.749 233 L CB -0.494 41.598 42.059 0.055 0.000 0.890 233 L HN 0.392 nan 8.230 nan 0.000 0.431 234 Y N 0.472 120.747 120.300 -0.042 0.000 2.114 234 Y HA -0.261 4.078 4.550 -0.350 0.000 0.284 234 Y C 2.379 178.184 175.900 -0.159 0.000 1.143 234 Y CA 1.708 59.751 58.100 -0.095 0.000 1.135 234 Y CB -0.336 38.045 38.460 -0.132 0.000 0.980 234 Y HN 0.038 nan 8.280 nan 0.000 0.499 235 L N -0.320 120.751 121.223 -0.253 0.000 2.141 235 L HA -0.168 3.967 4.340 -0.342 0.000 0.209 235 L C 1.672 178.398 176.870 -0.241 0.000 1.094 235 L CA 1.410 56.052 54.840 -0.329 0.000 0.763 235 L CB -0.405 41.569 42.059 -0.142 0.000 0.908 235 L HN 0.230 nan 8.230 nan 0.000 0.437 236 D N -1.155 119.155 120.400 -0.150 0.000 2.338 236 D HA -0.048 4.387 4.640 -0.342 0.000 0.208 236 D C 2.052 178.291 176.300 -0.100 0.000 0.997 236 D CA 0.671 54.612 54.000 -0.099 0.000 0.880 236 D CB 0.476 41.247 40.800 -0.049 0.000 0.980 236 D HN 0.220 nan 8.370 nan 0.000 0.509 237 E N -0.146 119.987 120.200 -0.112 0.000 2.306 237 E HA 0.187 4.332 4.350 -0.342 0.000 0.201 237 E C 2.263 178.797 176.600 -0.110 0.000 0.874 237 E CA 0.046 56.395 56.400 -0.083 0.000 0.972 237 E CB 0.674 30.348 29.700 -0.044 0.000 0.957 237 E HN 0.240 nan 8.360 nan 0.000 0.492 238 I N 0.797 121.261 120.570 -0.176 0.000 2.385 238 I HA -0.132 3.832 4.170 -0.342 0.000 0.244 238 I C 2.358 178.287 176.117 -0.314 0.000 1.089 238 I CA 0.259 61.450 61.300 -0.181 0.000 1.410 238 I CB -0.064 37.897 38.000 -0.064 0.000 1.117 238 I HN 0.030 nan 8.210 nan 0.000 0.429 239 L N 2.308 123.154 121.223 -0.629 0.000 2.021 239 L HA -0.147 3.988 4.340 -0.342 0.000 0.215 239 L C -0.594 176.140 176.870 -0.227 0.000 1.074 239 L CA 2.544 57.062 54.840 -0.536 0.000 0.760 239 L CB -1.712 39.925 42.059 -0.704 0.000 0.889 239 L HN 0.068 nan 8.230 nan 0.000 0.433 240 P HA -0.152 nan 4.420 nan 0.000 0.216 240 P C 1.755 179.021 177.300 -0.057 0.000 1.150 240 P CA 2.288 65.336 63.100 -0.086 0.000 0.837 240 P CB -0.405 31.253 31.700 -0.070 0.000 0.786 241 T N -2.316 112.200 114.554 -0.063 0.000 2.746 241 T HA -0.156 3.989 4.350 -0.342 0.000 0.267 241 T C 1.754 176.442 174.700 -0.019 0.000 1.039 241 T CA 1.022 63.105 62.100 -0.027 0.000 1.142 241 T CB -1.249 67.607 68.868 -0.021 0.000 0.866 241 T HN -0.064 nan 8.240 nan 0.000 0.444 242 L N 1.188 122.373 121.223 -0.064 0.000 2.056 242 L HA 0.083 4.218 4.340 -0.342 0.000 0.207 242 L C 2.735 179.484 176.870 -0.203 0.000 1.078 242 L CA 1.970 56.749 54.840 -0.101 0.000 0.749 242 L CB -1.273 40.716 42.059 -0.117 0.000 0.901 242 L HN 0.271 nan 8.230 nan 0.000 0.433 243 Q N -0.624 119.079 119.800 -0.162 0.000 2.061 243 Q HA -0.225 3.910 4.340 -0.342 0.000 0.204 243 Q C 2.526 178.514 176.000 -0.019 0.000 0.984 243 Q CA 2.294 58.037 55.803 -0.099 0.000 0.846 243 Q CB -0.675 28.079 28.738 0.026 0.000 0.902 243 Q HN 0.599 nan 8.270 nan 0.000 0.421 244 S N -1.135 114.579 115.700 0.023 0.000 2.359 244 S HA -0.132 4.133 4.470 -0.342 0.000 0.224 244 S C 1.835 176.535 174.600 0.166 0.000 1.035 244 S CA 1.457 59.710 58.200 0.088 0.000 1.018 244 S CB -0.869 62.377 63.200 0.075 0.000 0.876 244 S HN 0.670 nan 8.310 nan 0.000 0.448 245 G N 1.290 110.196 108.800 0.177 0.000 2.418 245 G HA2 -0.154 3.601 3.960 -0.342 0.000 0.217 245 G HA3 -0.154 3.601 3.960 -0.342 0.000 0.217 245 G C 1.457 176.529 174.900 0.286 0.000 1.158 245 G CA 0.958 46.276 45.100 0.363 0.000 0.771 245 G HN 0.405 nan 8.290 nan 0.000 0.545 246 M N 1.076 120.709 119.600 0.055 0.000 2.132 246 M HA 0.004 4.279 4.480 -0.342 0.000 0.263 246 M C 2.045 178.357 176.300 0.020 0.000 1.065 246 M CA 0.986 56.255 55.300 -0.051 0.000 1.122 246 M CB -1.043 31.369 32.600 -0.314 0.000 1.365 246 M HN 0.095 nan 8.290 nan 0.000 0.411 247 D N -0.014 120.424 120.400 0.064 0.000 2.123 247 D HA -0.165 4.270 4.640 -0.342 0.000 0.196 247 D C 1.800 178.147 176.300 0.077 0.000 0.992 247 D CA 0.976 55.020 54.000 0.075 0.000 0.833 247 D CB -0.525 40.332 40.800 0.095 0.000 0.954 247 D HN 0.298 nan 8.370 nan 0.000 0.455 248 F N 1.347 121.318 119.950 0.036 0.000 2.069 248 F HA -0.174 4.146 4.527 -0.345 0.000 0.298 248 F C 2.135 177.894 175.800 -0.067 0.000 1.113 248 F CA 1.354 59.379 58.000 0.042 0.000 1.214 248 F CB -0.358 38.738 39.000 0.159 0.000 0.978 248 F HN -0.108 nan 8.300 nan 0.000 0.474 249 L N 0.039 121.211 121.223 -0.084 0.000 2.083 249 L HA -0.206 3.928 4.340 -0.342 0.000 0.209 249 L C 2.736 179.386 176.870 -0.368 0.000 1.083 249 L CA 1.582 56.206 54.840 -0.361 0.000 0.752 249 L CB -0.746 41.086 42.059 -0.379 0.000 0.899 249 L HN 0.165 nan 8.230 nan 0.000 0.433 250 R N 0.173 120.542 120.500 -0.219 0.000 2.096 250 R HA -0.171 3.963 4.340 -0.342 0.000 0.235 250 R C 1.160 177.345 176.300 -0.191 0.000 1.127 250 R CA 1.908 57.908 56.100 -0.166 0.000 0.968 250 R CB 0.032 30.295 30.300 -0.062 0.000 0.861 250 R HN 0.352 nan 8.270 nan 0.000 0.440 251 D N -0.947 119.317 120.400 -0.225 0.000 2.389 251 D HA 0.056 4.490 4.640 -0.342 0.000 0.206 251 D C 0.081 176.201 176.300 -0.299 0.000 1.055 251 D CA 0.356 54.233 54.000 -0.204 0.000 0.856 251 D CB 0.363 41.088 40.800 -0.126 0.000 0.957 251 D HN 0.229 nan 8.370 nan 0.000 0.509 252 N N 0.394 118.785 118.700 -0.515 0.000 2.433 252 N HA 0.113 4.647 4.740 -0.342 0.000 0.270 252 N C 1.386 176.577 175.510 -0.532 0.000 1.354 252 N CA -0.055 52.643 53.050 -0.587 0.000 0.889 252 N CB 1.569 39.466 38.487 -0.983 0.000 1.285 252 N HN 0.017 nan 8.380 nan 0.000 0.503 253 G N 2.778 111.321 108.800 -0.428 0.000 2.514 253 G HA2 -0.204 3.550 3.960 -0.342 0.000 0.217 253 G HA3 -0.204 3.550 3.960 -0.342 0.000 0.217 253 G C -0.757 173.953 174.900 -0.316 0.000 1.198 253 G CA 0.966 45.817 45.100 -0.416 0.000 0.780 253 G HN 0.259 nan 8.290 nan 0.000 0.565 254 P HA -0.028 nan 4.420 nan 0.000 0.218 254 P C 2.073 179.311 177.300 -0.103 0.000 1.148 254 P CA 1.806 64.829 63.100 -0.128 0.000 0.822 254 P CB -0.153 31.495 31.700 -0.086 0.000 0.784 255 A N -0.382 122.373 122.820 -0.109 0.000 1.972 255 A HA -0.126 3.989 4.320 -0.342 0.000 0.219 255 A C 2.023 179.619 177.584 0.019 0.000 1.169 255 A CA 2.230 54.247 52.037 -0.032 0.000 0.635 255 A CB -1.438 17.556 19.000 -0.010 0.000 0.810 255 A HN 0.245 nan 8.150 nan 0.000 0.446 256 V N -5.107 114.793 119.914 -0.023 0.000 3.528 256 V HA 0.583 4.498 4.120 -0.342 0.000 0.294 256 V C 1.135 177.271 176.094 0.069 0.000 1.404 256 V CA 0.700 63.060 62.300 0.099 0.000 1.065 256 V CB -0.497 31.469 31.823 0.238 0.000 0.904 256 V HN 1.548 nan 8.190 nan 0.000 0.435 257 G N -0.090 108.633 108.800 -0.128 0.000 2.142 257 G HA2 -0.257 3.498 3.960 -0.342 0.000 0.225 257 G HA3 -0.257 3.498 3.960 -0.342 0.000 0.225 257 G C 0.077 174.653 174.900 -0.541 0.000 1.015 257 G CA 0.038 45.014 45.100 -0.206 0.000 0.716 257 G HN 1.076 nan 8.290 nan 0.000 0.508 258 C N 1.354 120.137 119.300 -0.860 0.000 2.203 258 C HA 0.685 4.940 4.460 -0.342 0.000 0.325 258 C C 1.849 176.442 174.990 -0.661 0.000 1.156 258 C CA -0.906 57.330 59.018 -1.304 0.000 1.597 258 C CB -1.166 25.549 27.740 -1.708 0.000 2.148 258 C HN 0.366 nan 8.230 nan 0.000 0.472 259 Y N 3.109 123.149 120.300 -0.434 0.000 2.224 259 Y HA 0.076 4.414 4.550 -0.353 0.000 0.289 259 Y C 1.835 177.543 175.900 -0.320 0.000 1.146 259 Y CA 1.527 59.447 58.100 -0.300 0.000 1.182 259 Y CB -0.169 38.157 38.460 -0.224 0.000 0.983 259 Y HN 0.672 nan 8.280 nan 0.000 0.524 260 S N -0.508 115.095 115.700 -0.163 0.000 2.603 260 S HA 0.435 4.700 4.470 -0.342 0.000 0.274 260 S C -1.632 172.868 174.600 -0.167 0.000 1.168 260 S CA -0.838 57.264 58.200 -0.163 0.000 0.963 260 S CB 0.732 63.834 63.200 -0.163 0.000 1.078 260 S HN 0.253 nan 8.310 nan 0.000 0.477 261 N N 2.515 121.110 118.700 -0.174 0.000 2.399 261 N HA 0.551 5.085 4.740 -0.342 0.000 0.284 261 N C -1.275 174.187 175.510 -0.080 0.000 1.025 261 N CA -0.517 52.448 53.050 -0.142 0.000 0.885 261 N CB 1.122 39.483 38.487 -0.210 0.000 1.339 261 N HN 0.576 nan 8.380 nan 0.000 0.487 262 R N 2.295 122.757 120.500 -0.062 0.000 2.534 262 R HA 0.424 4.559 4.340 -0.342 0.000 0.301 262 R C -1.427 174.881 176.300 0.013 0.000 0.961 262 R CA -0.772 55.232 56.100 -0.161 0.000 0.871 262 R CB 1.640 31.713 30.300 -0.378 0.000 1.170 262 R HN 0.382 nan 8.270 nan 0.000 0.446 263 F N 4.634 124.491 119.950 -0.155 0.000 2.347 263 F HA 0.356 4.619 4.527 -0.440 0.000 0.366 263 F C -0.465 175.301 175.800 -0.058 0.000 1.107 263 F CA -1.223 56.749 58.000 -0.046 0.000 1.058 263 F CB 1.023 40.041 39.000 0.030 0.000 1.236 263 F HN 0.253 nan 8.300 nan 0.000 0.456 264 V N 3.913 123.674 119.914 -0.254 0.000 2.815 264 V HA 0.748 4.663 4.120 -0.342 0.000 0.314 264 V C -0.940 174.972 176.094 -0.302 0.000 1.064 264 V CA -0.989 61.155 62.300 -0.259 0.000 0.952 264 V CB 1.903 33.569 31.823 -0.262 0.000 1.020 264 V HN 0.756 nan 8.190 nan 0.000 0.439 265 R N 2.704 123.150 120.500 -0.090 0.000 2.494 265 R HA 0.494 4.629 4.340 -0.342 0.000 0.305 265 R C -0.221 176.168 176.300 0.150 0.000 0.959 265 R CA -0.265 55.834 56.100 -0.002 0.000 0.864 265 R CB 1.030 31.296 30.300 -0.056 0.000 1.159 265 R HN 0.955 nan 8.270 nan 0.000 0.446 266 N N 3.065 121.853 118.700 0.146 0.000 2.454 266 N HA 0.190 4.725 4.740 -0.342 0.000 0.254 266 N C -0.394 175.254 175.510 0.230 0.000 1.228 266 N CA 0.491 53.657 53.050 0.194 0.000 0.900 266 N CB 0.471 39.066 38.487 0.180 0.000 1.089 266 N HN 0.516 nan 8.380 nan 0.000 0.449 267 I N -2.567 118.122 120.570 0.198 0.000 3.042 267 I HA 0.580 4.545 4.170 -0.342 0.000 0.310 267 I C -0.745 175.422 176.117 0.084 0.000 1.117 267 I CA -1.293 60.090 61.300 0.139 0.000 1.003 267 I CB 2.077 40.137 38.000 0.100 0.000 1.228 267 I HN 0.384 nan 8.210 nan 0.000 0.443 268 D N 2.527 122.948 120.400 0.035 0.000 2.451 268 D HA 0.158 4.592 4.640 -0.342 0.000 0.259 268 D C 0.823 177.132 176.300 0.014 0.000 1.201 268 D CA -0.504 53.510 54.000 0.022 0.000 1.028 268 D CB 0.978 41.779 40.800 0.001 0.000 1.095 268 D HN 0.636 nan 8.370 nan 0.000 0.539 269 I N -0.412 120.164 120.570 0.010 0.000 2.530 269 I HA -0.186 3.779 4.170 -0.342 0.000 0.257 269 I C 0.741 176.845 176.117 -0.021 0.000 1.179 269 I CA 1.444 62.742 61.300 -0.002 0.000 1.440 269 I CB -0.298 37.699 38.000 -0.005 0.000 1.087 269 I HN 0.284 nan 8.210 nan 0.000 0.440 270 D N -0.048 120.333 120.400 -0.031 0.000 2.349 270 D HA 0.219 4.654 4.640 -0.342 0.000 0.214 270 D C 1.627 177.883 176.300 -0.074 0.000 1.063 270 D CA 0.919 54.890 54.000 -0.048 0.000 0.847 270 D CB 0.413 41.185 40.800 -0.046 0.000 0.933 270 D HN 0.412 nan 8.370 nan 0.000 0.513 271 G N 1.428 110.181 108.800 -0.079 0.000 2.141 271 G HA2 -0.232 3.522 3.960 -0.342 0.000 0.231 271 G HA3 -0.232 3.522 3.960 -0.342 0.000 0.231 271 G C 0.093 174.823 174.900 -0.284 0.000 0.984 271 G CA -0.494 44.521 45.100 -0.142 0.000 0.660 271 G HN 0.173 nan 8.290 nan 0.000 0.525 272 N N 0.390 118.971 118.700 -0.199 0.000 2.514 272 N HA 0.477 5.011 4.740 -0.342 0.000 0.277 272 N C 0.154 175.579 175.510 -0.141 0.000 1.126 272 N CA -0.101 52.815 53.050 -0.223 0.000 0.978 272 N CB 0.454 38.881 38.487 -0.100 0.000 1.106 272 N HN 0.025 nan 8.380 nan 0.000 0.461 273 F N 1.283 121.226 119.950 -0.012 0.000 2.518 273 F HA 0.185 4.504 4.527 -0.347 0.000 0.359 273 F C 1.024 176.814 175.800 -0.017 0.000 1.118 273 F CA -0.133 57.869 58.000 0.002 0.000 1.287 273 F CB 0.227 39.245 39.000 0.030 0.000 1.132 273 F HN 0.099 nan 8.300 nan 0.000 0.587 274 L N 2.331 123.668 121.223 0.192 0.000 2.322 274 L HA 0.394 4.529 4.340 -0.342 0.000 0.269 274 L C -0.123 176.645 176.870 -0.171 0.000 1.012 274 L CA -1.014 53.827 54.840 0.002 0.000 0.815 274 L CB 1.342 43.392 42.059 -0.014 0.000 1.295 274 L HN 0.340 nan 8.230 nan 0.000 0.438 275 D N 2.564 122.700 120.400 -0.439 0.000 3.085 275 D HA 0.412 4.847 4.640 -0.342 0.000 0.243 275 D C -0.734 174.693 176.300 -1.456 0.000 1.232 275 D CA 0.345 53.623 54.000 -1.204 0.000 0.913 275 D CB -0.122 39.913 40.800 -1.276 0.000 1.108 275 D HN 0.081 nan 8.370 nan 0.000 0.468 276 L N 0.001 120.797 121.223 -0.713 0.000 2.409 276 L HA 0.498 4.633 4.340 -0.342 0.000 0.262 276 L C 0.083 177.023 176.870 0.116 0.000 0.992 276 L CA -0.626 54.077 54.840 -0.228 0.000 0.817 276 L CB 2.229 44.285 42.059 -0.005 0.000 1.350 276 L HN -0.070 nan 8.230 nan 0.000 0.411 277 S N 0.351 116.293 115.700 0.403 0.000 2.638 277 S HA 0.945 5.210 4.470 -0.342 0.000 0.274 277 S C -1.424 173.491 174.600 0.526 0.000 1.157 277 S CA -0.780 57.626 58.200 0.345 0.000 0.826 277 S CB 2.198 65.580 63.200 0.304 0.000 1.139 277 S HN 0.687 nan 8.310 nan 0.000 0.474 278 Y N -1.285 119.189 120.300 0.290 0.000 2.641 278 Y HA 0.552 4.918 4.550 -0.307 0.000 0.333 278 Y C -1.083 175.052 175.900 0.390 0.000 1.174 278 Y CA -1.116 57.192 58.100 0.346 0.000 1.057 278 Y CB 0.639 39.289 38.460 0.316 0.000 1.322 278 Y HN 0.867 nan 8.280 nan 0.000 0.457 279 N N 1.835 120.867 118.700 0.553 0.000 2.514 279 N HA 0.431 4.966 4.740 -0.342 0.000 0.277 279 N C -1.287 174.456 175.510 0.388 0.000 1.126 279 N CA -0.336 52.954 53.050 0.400 0.000 0.978 279 N CB 0.643 39.303 38.487 0.287 0.000 1.106 279 N HN 0.706 nan 8.380 nan 0.000 0.461 280 I N 2.474 123.189 120.570 0.242 0.000 2.390 280 I HA 0.314 4.278 4.170 -0.342 0.000 0.283 280 I C 0.405 176.556 176.117 0.057 0.000 1.016 280 I CA -0.693 60.701 61.300 0.157 0.000 1.151 280 I CB 1.658 39.713 38.000 0.092 0.000 1.293 280 I HN 0.483 nan 8.210 nan 0.000 0.458 281 G N 4.214 113.045 108.800 0.052 0.000 2.557 281 G HA2 0.573 4.328 3.960 -0.342 0.000 0.310 281 G HA3 0.573 4.328 3.960 -0.342 0.000 0.310 281 G C -1.266 173.662 174.900 0.047 0.000 1.328 281 G CA -0.398 44.745 45.100 0.072 0.000 0.945 281 G HN 0.548 nan 8.290 nan 0.000 0.494 282 H N 0.791 119.843 119.070 -0.030 0.000 2.476 282 H HA 0.502 4.836 4.556 -0.370 0.000 0.328 282 H C -1.098 174.161 175.328 -0.114 0.000 1.073 282 H CA -0.075 56.016 56.048 0.071 0.000 1.229 282 H CB 1.341 31.113 29.762 0.018 0.000 1.432 282 H HN 0.573 nan 8.280 nan 0.000 0.477 283 W N 1.096 122.414 121.300 0.031 0.000 2.736 283 W HA 0.500 4.956 4.660 -0.339 0.000 0.335 283 W C 0.818 177.177 176.519 -0.266 0.000 1.059 283 W CA -0.736 56.504 57.345 -0.175 0.000 1.226 283 W CB 1.466 30.853 29.460 -0.122 0.000 1.416 283 W HN 0.740 nan 8.180 nan 0.000 0.505 284 A N 1.597 124.187 122.820 -0.383 0.000 2.019 284 A HA 0.085 4.200 4.320 -0.342 0.000 0.219 284 A C 0.707 178.383 177.584 0.153 0.000 1.164 284 A CA 1.782 53.653 52.037 -0.276 0.000 0.644 284 A CB -0.462 18.296 19.000 -0.404 0.000 0.805 284 A HN 0.582 nan 8.150 nan 0.000 0.449 285 S N -3.336 112.449 115.700 0.141 0.000 2.565 285 S HA 0.445 4.709 4.470 -0.342 0.000 0.269 285 S C 0.114 174.745 174.600 0.052 0.000 1.153 285 S CA -0.130 58.139 58.200 0.116 0.000 0.835 285 S CB 0.642 63.892 63.200 0.082 0.000 1.122 285 S HN 0.482 nan 8.310 nan 0.000 0.462 286 L N 1.635 122.841 121.223 -0.027 0.000 2.083 286 L HA -0.011 4.124 4.340 -0.342 0.000 0.209 286 L C 2.163 178.960 176.870 -0.121 0.000 1.083 286 L CA 2.690 57.457 54.840 -0.122 0.000 0.752 286 L CB -0.853 41.081 42.059 -0.210 0.000 0.899 286 L HN 0.927 nan 8.230 nan 0.000 0.433 287 D N -1.770 118.594 120.400 -0.060 0.000 2.224 287 D HA -0.243 4.192 4.640 -0.342 0.000 0.205 287 D C 1.813 178.085 176.300 -0.046 0.000 0.965 287 D CA 0.947 54.919 54.000 -0.047 0.000 0.852 287 D CB -0.347 40.442 40.800 -0.019 0.000 0.947 287 D HN 0.536 nan 8.370 nan 0.000 0.494 288 Q N -0.063 119.735 119.800 -0.003 0.000 2.124 288 Q HA -0.093 4.042 4.340 -0.342 0.000 0.202 288 Q C 2.331 178.255 176.000 -0.127 0.000 0.977 288 Q CA 0.764 56.608 55.803 0.068 0.000 0.850 288 Q CB -0.122 28.753 28.738 0.228 0.000 0.901 288 Q HN 0.217 nan 8.270 nan 0.000 0.429 289 L N 1.107 122.027 121.223 -0.504 0.000 2.046 289 L HA -0.172 3.963 4.340 -0.342 0.000 0.208 289 L C 1.788 178.381 176.870 -0.462 0.000 1.077 289 L CA 1.809 55.979 54.840 -1.117 0.000 0.747 289 L CB -0.249 41.092 42.059 -1.196 0.000 0.896 289 L HN 0.133 nan 8.230 nan 0.000 0.432 290 E N -0.800 119.251 120.200 -0.249 0.000 2.058 290 E HA -0.221 3.924 4.350 -0.342 0.000 0.194 290 E C 2.214 178.740 176.600 -0.123 0.000 0.997 290 E CA 1.146 57.474 56.400 -0.119 0.000 0.801 290 E CB -0.106 29.561 29.700 -0.055 0.000 0.746 290 E HN 0.390 nan 8.360 nan 0.000 0.450 291 R N 0.077 120.526 120.500 -0.085 0.000 2.083 291 R HA -0.176 3.958 4.340 -0.342 0.000 0.237 291 R C 1.971 178.241 176.300 -0.050 0.000 1.137 291 R CA 1.279 57.341 56.100 -0.063 0.000 0.951 291 R CB -0.976 29.331 30.300 0.012 0.000 0.851 291 R HN 0.384 nan 8.270 nan 0.000 0.434 292 W N 2.303 123.515 121.300 -0.147 0.000 2.354 292 W HA -0.234 4.239 4.660 -0.313 0.000 0.315 292 W C 2.495 178.934 176.519 -0.134 0.000 1.206 292 W CA 2.409 59.715 57.345 -0.066 0.000 1.290 292 W CB -0.406 29.079 29.460 0.042 0.000 1.152 292 W HN 0.204 nan 8.180 nan 0.000 0.489 293 S N 0.343 115.922 115.700 -0.202 0.000 2.383 293 S HA -0.321 3.943 4.470 -0.342 0.000 0.229 293 S C 1.634 175.829 174.600 -0.674 0.000 1.030 293 S CA 1.673 59.546 58.200 -0.545 0.000 1.002 293 S CB -1.003 62.009 63.200 -0.312 0.000 0.829 293 S HN 0.707 nan 8.310 nan 0.000 0.467 294 E N 0.970 120.673 120.200 -0.829 0.000 2.415 294 E HA 0.082 4.226 4.350 -0.342 0.000 0.197 294 E C 1.627 177.618 176.600 -1.016 0.000 1.007 294 E CA 0.811 56.271 56.400 -1.567 0.000 0.890 294 E CB 0.008 28.959 29.700 -1.250 0.000 0.891 294 E HN 0.678 nan 8.360 nan 0.000 0.496 295 S N -0.826 114.513 115.700 -0.601 0.000 2.648 295 S HA 0.036 4.301 4.470 -0.342 0.000 0.270 295 S C 0.358 174.768 174.600 -0.317 0.000 1.080 295 S CA -0.633 57.326 58.200 -0.401 0.000 1.159 295 S CB -0.339 62.693 63.200 -0.280 0.000 1.091 295 S HN 0.324 nan 8.310 nan 0.000 0.605 296 H N 3.914 122.699 119.070 -0.475 0.000 2.646 296 H HA 0.293 4.647 4.556 -0.337 0.000 0.325 296 H C -1.783 173.265 175.328 -0.467 0.000 1.075 296 H CA -1.103 54.660 56.048 -0.476 0.000 1.421 296 H CB 1.783 31.155 29.762 -0.651 0.000 1.461 296 H HN 0.113 nan 8.280 nan 0.000 0.525 297 P HA -0.181 nan 4.420 nan 0.000 0.218 297 P C 1.416 178.557 177.300 -0.265 0.000 1.146 297 P CA 1.729 64.582 63.100 -0.412 0.000 0.813 297 P CB 0.032 31.489 31.700 -0.405 0.000 0.778 298 T N -3.011 111.433 114.554 -0.184 0.000 2.674 298 T HA -0.240 3.904 4.350 -0.342 0.000 0.265 298 T C 2.011 176.662 174.700 -0.082 0.000 1.039 298 T CA 1.250 63.341 62.100 -0.014 0.000 1.150 298 T CB -1.565 67.438 68.868 0.224 0.000 0.864 298 T HN 0.175 nan 8.240 nan 0.000 0.427 299 H N 1.168 119.943 119.070 -0.491 0.000 2.428 299 H HA 0.147 4.496 4.556 -0.346 0.000 0.296 299 H C 2.250 177.505 175.328 -0.122 0.000 1.062 299 H CA 1.037 56.831 56.048 -0.424 0.000 1.350 299 H CB -0.163 29.044 29.762 -0.925 0.000 1.403 299 H HN 0.353 nan 8.280 nan 0.000 0.533 300 L N 0.336 121.451 121.223 -0.179 0.000 2.083 300 L HA -0.162 3.972 4.340 -0.342 0.000 0.209 300 L C 2.985 179.885 176.870 0.050 0.000 1.083 300 L CA 1.073 55.885 54.840 -0.046 0.000 0.752 300 L CB -0.408 41.578 42.059 -0.121 0.000 0.899 300 L HN 0.214 nan 8.230 nan 0.000 0.433 301 R N 0.879 121.365 120.500 -0.023 0.000 2.073 301 R HA -0.184 3.951 4.340 -0.342 0.000 0.234 301 R C 2.307 178.623 176.300 0.027 0.000 1.134 301 R CA 1.616 57.721 56.100 0.008 0.000 0.952 301 R CB -0.286 30.003 30.300 -0.017 0.000 0.850 301 R HN 0.281 nan 8.270 nan 0.000 0.433 302 I N 0.241 120.800 120.570 -0.018 0.000 2.163 302 I HA -0.318 3.647 4.170 -0.342 0.000 0.243 302 I C 2.299 178.430 176.117 0.023 0.000 1.085 302 I CA 1.522 62.806 61.300 -0.028 0.000 1.347 302 I CB -0.389 37.562 38.000 -0.082 0.000 1.044 302 I HN 0.200 nan 8.210 nan 0.000 0.408 303 F N 1.800 121.658 119.950 -0.153 0.000 2.134 303 F HA -0.270 4.050 4.527 -0.346 0.000 0.299 303 F C 2.804 178.767 175.800 0.272 0.000 1.097 303 F CA 2.121 60.158 58.000 0.061 0.000 1.264 303 F CB -0.567 38.505 39.000 0.121 0.000 1.001 303 F HN 0.143 nan 8.300 nan 0.000 0.479 304 T N -3.217 111.544 114.554 0.344 0.000 2.821 304 T HA -0.135 4.010 4.350 -0.342 0.000 0.267 304 T C 1.865 176.627 174.700 0.104 0.000 1.046 304 T CA 1.685 63.923 62.100 0.230 0.000 1.139 304 T CB -1.108 67.885 68.868 0.209 0.000 0.871 304 T HN 0.275 nan 8.240 nan 0.000 0.454 305 T N 1.570 116.170 114.554 0.076 0.000 2.777 305 T HA 0.043 4.187 4.350 -0.342 0.000 0.266 305 T C 1.316 176.022 174.700 0.009 0.000 1.040 305 T CA 1.148 63.267 62.100 0.032 0.000 1.141 305 T CB -0.620 68.262 68.868 0.023 0.000 0.868 305 T HN 0.403 nan 8.240 nan 0.000 0.444 306 F N 1.709 121.556 119.950 -0.173 0.000 2.065 306 F HA -0.119 4.206 4.527 -0.337 0.000 0.298 306 F C 1.631 177.197 175.800 -0.390 0.000 1.112 306 F CA 1.131 58.940 58.000 -0.319 0.000 1.212 306 F CB -0.744 37.960 39.000 -0.493 0.000 0.975 306 F HN 0.117 nan 8.300 nan 0.000 0.476 307 F N 0.454 120.118 119.950 -0.476 0.000 2.407 307 F HA -0.016 4.307 4.527 -0.341 0.000 0.299 307 F C 2.635 178.234 175.800 -0.336 0.000 1.097 307 F CA 1.360 59.029 58.000 -0.551 0.000 1.422 307 F CB -0.779 37.956 39.000 -0.441 0.000 1.067 307 F HN -0.057 nan 8.300 nan 0.000 0.539 308 R N 0.799 121.257 120.500 -0.069 0.000 2.081 308 R HA -0.126 4.009 4.340 -0.342 0.000 0.235 308 R C 1.911 178.153 176.300 -0.095 0.000 1.131 308 R CA 2.061 58.129 56.100 -0.054 0.000 0.960 308 R CB -0.316 29.971 30.300 -0.023 0.000 0.856 308 R HN 0.287 nan 8.270 nan 0.000 0.436 309 V N -2.795 117.035 119.914 -0.140 0.000 3.650 309 V HA 0.371 4.285 4.120 -0.342 0.000 0.271 309 V C 2.036 178.018 176.094 -0.187 0.000 1.281 309 V CA 0.686 62.913 62.300 -0.120 0.000 1.120 309 V CB 0.094 31.878 31.823 -0.064 0.000 0.856 309 V HN 0.298 nan 8.190 nan 0.000 0.443 310 A N 1.507 124.102 122.820 -0.375 0.000 1.985 310 A HA -0.227 3.888 4.320 -0.342 0.000 0.223 310 A C 2.467 179.907 177.584 -0.241 0.000 1.189 310 A CA 2.853 54.586 52.037 -0.507 0.000 0.658 310 A CB -1.026 17.488 19.000 -0.809 0.000 0.820 310 A HN 1.145 nan 8.150 nan 0.000 0.464 311 A N -0.964 121.763 122.820 -0.154 0.000 1.972 311 A HA 0.141 4.256 4.320 -0.342 0.000 0.219 311 A C 2.219 179.775 177.584 -0.047 0.000 1.169 311 A CA 1.762 53.752 52.037 -0.079 0.000 0.635 311 A CB -1.072 17.896 19.000 -0.055 0.000 0.810 311 A HN 0.924 nan 8.150 nan 0.000 0.446 312 G N -1.098 107.675 108.800 -0.046 0.000 2.920 312 G HA2 0.386 4.141 3.960 -0.342 0.000 0.208 312 G HA3 0.386 4.141 3.960 -0.342 0.000 0.208 312 G C 0.343 175.248 174.900 0.008 0.000 1.159 312 G CA -0.140 44.953 45.100 -0.013 0.000 0.784 312 G HN 0.379 nan 8.290 nan 0.000 0.535 313 L N 0.437 121.659 121.223 -0.001 0.000 2.331 313 L HA 0.566 4.701 4.340 -0.342 0.000 0.275 313 L C 0.923 177.819 176.870 0.044 0.000 1.022 313 L CA -0.394 54.470 54.840 0.039 0.000 0.812 313 L CB 2.269 44.366 42.059 0.064 0.000 1.257 313 L HN 0.150 nan 8.230 nan 0.000 0.435 314 S N -0.731 115.007 115.700 0.064 0.000 2.660 314 S HA 0.112 4.377 4.470 -0.342 0.000 0.262 314 S C 0.990 175.630 174.600 0.067 0.000 1.006 314 S CA -0.517 57.722 58.200 0.065 0.000 1.174 314 S CB 0.189 63.417 63.200 0.048 0.000 0.939 314 S HN 0.451 nan 8.310 nan 0.000 0.438 315 K N 1.066 121.499 120.400 0.055 0.000 2.354 315 K HA 0.447 4.562 4.320 -0.342 0.000 0.194 315 K C 0.374 176.988 176.600 0.024 0.000 1.045 315 K CA -0.173 56.132 56.287 0.029 0.000 1.026 315 K CB -0.220 32.291 32.500 0.018 0.000 0.866 315 K HN 0.468 nan 8.250 nan 0.000 0.530 316 L N 2.166 123.426 121.223 0.061 0.000 2.490 316 L HA 0.005 4.139 4.340 -0.342 0.000 0.274 316 L C -0.408 176.505 176.870 0.070 0.000 1.201 316 L CA 0.569 55.444 54.840 0.059 0.000 0.869 316 L CB 0.298 42.407 42.059 0.082 0.000 1.123 316 L HN -0.036 nan 8.230 nan 0.000 0.484 317 R N 5.792 126.309 120.500 0.029 0.000 2.310 317 R HA 0.631 4.766 4.340 -0.342 0.000 0.324 317 R C -1.296 175.198 176.300 0.322 0.000 0.955 317 R CA -0.472 55.653 56.100 0.042 0.000 0.830 317 R CB 1.014 31.008 30.300 -0.509 0.000 1.154 317 R HN 0.624 nan 8.270 nan 0.000 0.458 318 L N 4.429 125.957 121.223 0.509 0.000 2.362 318 L HA 0.660 4.794 4.340 -0.342 0.000 0.271 318 L C -0.959 176.198 176.870 0.478 0.000 1.002 318 L CA -1.132 53.928 54.840 0.367 0.000 0.818 318 L CB 1.401 43.483 42.059 0.038 0.000 1.298 318 L HN 0.627 nan 8.230 nan 0.000 0.420 319 Y N 0.053 120.475 120.300 0.203 0.000 2.677 319 Y HA 0.644 4.991 4.550 -0.339 0.000 0.334 319 Y C -1.239 174.680 175.900 0.032 0.000 1.196 319 Y CA -1.176 56.931 58.100 0.013 0.000 1.059 319 Y CB 1.172 39.738 38.460 0.177 0.000 1.315 319 Y HN 0.676 nan 8.280 nan 0.000 0.455 320 H N -0.346 118.645 119.070 -0.131 0.000 3.008 320 H HA 0.756 5.107 4.556 -0.343 0.000 0.354 320 H C -1.920 173.388 175.328 -0.033 0.000 1.252 320 H CA -0.980 55.003 56.048 -0.108 0.000 1.117 320 H CB 3.043 32.754 29.762 -0.085 0.000 1.857 320 H HN 0.897 nan 8.280 nan 0.000 0.547 321 E N 1.572 121.916 120.200 0.240 0.000 2.272 321 E HA 0.547 4.692 4.350 -0.342 0.000 0.269 321 E C -1.631 174.974 176.600 0.008 0.000 0.877 321 E CA -1.116 55.371 56.400 0.145 0.000 0.755 321 E CB 3.088 32.903 29.700 0.191 0.000 1.192 321 E HN 0.356 nan 8.360 nan 0.000 0.422 322 V N 1.689 121.566 119.914 -0.062 0.000 2.709 322 V HA 0.544 4.458 4.120 -0.342 0.000 0.308 322 V C -0.621 175.515 176.094 0.071 0.000 1.062 322 V CA -0.702 61.569 62.300 -0.047 0.000 0.901 322 V CB 1.945 33.687 31.823 -0.135 0.000 1.003 322 V HN 0.806 nan 8.190 nan 0.000 0.425 323 S N 2.133 117.926 115.700 0.156 0.000 2.548 323 S HA 0.858 5.122 4.470 -0.342 0.000 0.286 323 S C -0.542 173.904 174.600 -0.256 0.000 1.098 323 S CA -0.714 57.547 58.200 0.101 0.000 0.930 323 S CB 2.224 65.481 63.200 0.093 0.000 1.070 323 S HN 0.964 nan 8.310 nan 0.000 0.480 324 V N -0.006 119.724 119.914 -0.308 0.000 2.960 324 V HA 0.940 4.855 4.120 -0.342 0.000 0.315 324 V C -1.508 174.169 176.094 -0.694 0.000 1.087 324 V CA -0.959 60.984 62.300 -0.596 0.000 0.982 324 V CB 1.154 32.820 31.823 -0.262 0.000 1.039 324 V HN 0.765 nan 8.190 nan 0.000 0.437 325 F N -0.644 119.403 119.950 0.160 0.000 2.613 325 F HA 0.659 4.976 4.527 -0.350 0.000 0.310 325 F C -0.266 175.601 175.800 0.112 0.000 1.085 325 F CA -1.065 57.020 58.000 0.141 0.000 0.945 325 F CB 0.766 39.847 39.000 0.135 0.000 1.298 325 F HN 0.439 nan 8.300 nan 0.000 0.455 326 D N 0.681 121.256 120.400 0.292 0.000 2.400 326 D HA 0.280 4.715 4.640 -0.342 0.000 0.238 326 D C 1.132 177.551 176.300 0.198 0.000 1.157 326 D CA 0.419 54.541 54.000 0.203 0.000 0.889 326 D CB 1.047 41.938 40.800 0.152 0.000 1.199 326 D HN 0.711 nan 8.370 nan 0.000 0.436 327 A N 1.840 124.757 122.820 0.161 0.000 1.892 327 A HA -0.205 3.910 4.320 -0.342 0.000 0.218 327 A C 2.008 179.633 177.584 0.069 0.000 1.188 327 A CA 2.454 54.569 52.037 0.129 0.000 0.631 327 A CB -0.851 18.232 19.000 0.139 0.000 0.822 327 A HN 0.607 nan 8.150 nan 0.000 0.447 328 A N -0.880 121.979 122.820 0.066 0.000 2.121 328 A HA -0.068 4.046 4.320 -0.342 0.000 0.218 328 A C 1.159 178.741 177.584 -0.003 0.000 1.154 328 A CA 1.514 53.569 52.037 0.030 0.000 0.679 328 A CB -0.290 18.733 19.000 0.039 0.000 0.795 328 A HN 0.438 nan 8.150 nan 0.000 0.458 329 D N -0.077 120.330 120.400 0.012 0.000 2.358 329 D HA 0.141 4.576 4.640 -0.342 0.000 0.224 329 D C -0.154 176.035 176.300 -0.185 0.000 1.123 329 D CA 0.321 54.304 54.000 -0.028 0.000 0.833 329 D CB 0.264 41.113 40.800 0.082 0.000 0.946 329 D HN 0.583 nan 8.370 nan 0.000 0.505 330 Q N 0.751 120.405 119.800 -0.242 0.000 2.323 330 Q HA 0.616 4.750 4.340 -0.342 0.000 0.271 330 Q C -0.941 174.732 176.000 -0.546 0.000 1.048 330 Q CA -0.684 54.810 55.803 -0.514 0.000 0.792 330 Q CB 3.270 31.732 28.738 -0.461 0.000 1.280 330 Q HN 0.060 nan 8.270 nan 0.000 0.441 331 L N 1.815 122.610 121.223 -0.714 0.000 2.470 331 L HA 0.552 4.687 4.340 -0.342 0.000 0.268 331 L C -2.072 174.467 176.870 -0.552 0.000 0.964 331 L CA -0.592 53.958 54.840 -0.482 0.000 0.839 331 L CB 1.325 43.230 42.059 -0.256 0.000 1.276 331 L HN 0.577 nan 8.230 nan 0.000 0.403 332 Y N 3.126 123.407 120.300 -0.031 0.000 2.426 332 Y HA 0.518 4.867 4.550 -0.334 0.000 0.325 332 Y C -0.416 175.445 175.900 -0.064 0.000 0.989 332 Y CA -0.739 57.329 58.100 -0.052 0.000 1.284 332 Y CB 1.429 39.938 38.460 0.082 0.000 1.104 332 Y HN 0.522 nan 8.280 nan 0.000 0.481 333 E N 2.714 122.824 120.200 -0.149 0.000 2.199 333 E HA 0.525 4.670 4.350 -0.342 0.000 0.269 333 E C -1.566 174.940 176.600 -0.158 0.000 0.899 333 E CA -1.012 55.412 56.400 0.039 0.000 0.772 333 E CB 2.111 31.962 29.700 0.251 0.000 1.155 333 E HN 0.460 nan 8.360 nan 0.000 0.408 334 Y N 1.365 121.879 120.300 0.357 0.000 2.442 334 Y HA 0.490 4.826 4.550 -0.356 0.000 0.344 334 Y C -0.239 175.792 175.900 0.218 0.000 0.976 334 Y CA -0.811 57.479 58.100 0.317 0.000 1.040 334 Y CB 1.520 40.061 38.460 0.135 0.000 1.228 334 Y HN 0.328 nan 8.280 nan 0.000 0.451 335 I N 3.285 124.054 120.570 0.332 0.000 2.439 335 I HA 0.262 4.226 4.170 -0.342 0.000 0.285 335 I C -0.618 175.597 176.117 0.164 0.000 1.021 335 I CA -0.939 60.446 61.300 0.142 0.000 1.091 335 I CB 1.433 39.409 38.000 -0.040 0.000 1.242 335 I HN 0.686 nan 8.210 nan 0.000 0.439 336 N N 3.035 121.792 118.700 0.096 0.000 2.714 336 N HA -0.168 4.367 4.740 -0.342 0.000 0.252 336 N C -0.748 174.799 175.510 0.061 0.000 1.014 336 N CA 0.578 53.667 53.050 0.065 0.000 0.735 336 N CB -1.065 37.455 38.487 0.055 0.000 0.924 336 N HN 0.496 nan 8.380 nan 0.000 0.540 337 C N 0.417 119.751 119.300 0.058 0.000 2.366 337 C HA 0.379 4.634 4.460 -0.342 0.000 0.345 337 C C 1.100 175.983 174.990 -0.178 0.000 1.209 337 C CA -0.960 58.031 59.018 -0.045 0.000 2.050 337 C CB 0.388 28.144 27.740 0.026 0.000 2.359 337 C HN 0.596 nan 8.230 nan 0.000 0.527 338 H N 0.879 119.761 119.070 -0.315 0.000 2.871 338 H HA 0.187 4.530 4.556 -0.355 0.000 0.355 338 H C -2.360 172.807 175.328 -0.269 0.000 1.092 338 H CA -1.281 54.562 56.048 -0.340 0.000 1.420 338 H CB -0.237 29.163 29.762 -0.604 0.000 1.400 338 H HN 0.338 nan 8.280 nan 0.000 0.604 339 P HA 0.033 nan 4.420 nan 0.000 0.239 339 P C 1.116 178.302 177.300 -0.191 0.000 1.184 339 P CA 1.439 64.442 63.100 -0.162 0.000 0.760 339 P CB 0.178 31.826 31.700 -0.086 0.000 0.884 340 G N -1.329 107.416 108.800 -0.092 0.000 3.088 340 G HA2 -0.009 3.746 3.960 -0.342 0.000 0.217 340 G HA3 -0.009 3.746 3.960 -0.342 0.000 0.217 340 G C 0.266 174.984 174.900 -0.305 0.000 1.159 340 G CA 0.081 45.114 45.100 -0.112 0.000 0.760 340 G HN 0.150 nan 8.290 nan 0.000 0.550 341 T N 1.569 115.738 114.554 -0.642 0.000 2.834 341 T HA 0.451 4.595 4.350 -0.342 0.000 0.298 341 T C 1.461 175.780 174.700 -0.635 0.000 0.966 341 T CA 0.555 62.235 62.100 -0.699 0.000 1.141 341 T CB 0.973 69.362 68.868 -0.799 0.000 0.905 341 T HN 0.644 nan 8.240 nan 0.000 0.535 342 G N 3.721 112.242 108.800 -0.465 0.000 2.672 342 G HA2 -0.350 3.404 3.960 -0.342 0.000 0.324 342 G HA3 -0.350 3.404 3.960 -0.342 0.000 0.324 342 G C 0.916 175.522 174.900 -0.490 0.000 1.286 342 G CA 0.733 45.574 45.100 -0.432 0.000 1.004 342 G HN 0.606 nan 8.290 nan 0.000 0.548 343 M N 1.220 120.498 119.600 -0.537 0.000 2.618 343 M HA 0.358 4.633 4.480 -0.342 0.000 0.240 343 M C 2.380 178.371 176.300 -0.514 0.000 1.123 343 M CA 0.543 55.507 55.300 -0.560 0.000 1.060 343 M CB -0.412 31.774 32.600 -0.691 0.000 1.535 343 M HN 0.415 nan 8.290 nan 0.000 0.507 344 L N -1.152 119.660 121.223 -0.685 0.000 2.131 344 L HA -0.204 3.931 4.340 -0.342 0.000 0.210 344 L C 2.580 179.233 176.870 -0.361 0.000 1.092 344 L CA 1.120 55.629 54.840 -0.551 0.000 0.759 344 L CB -0.625 41.027 42.059 -0.677 0.000 0.903 344 L HN 0.313 nan 8.230 nan 0.000 0.435 345 R N 0.362 120.657 120.500 -0.342 0.000 2.083 345 R HA -0.181 3.954 4.340 -0.342 0.000 0.237 345 R C 1.134 177.320 176.300 -0.189 0.000 1.137 345 R CA 2.071 58.032 56.100 -0.231 0.000 0.951 345 R CB 0.015 30.195 30.300 -0.200 0.000 0.851 345 R HN 0.317 nan 8.270 nan 0.000 0.434 346 D N -0.443 119.826 120.400 -0.218 0.000 2.369 346 D HA 0.163 4.597 4.640 -0.342 0.000 0.211 346 D C -0.279 175.889 176.300 -0.221 0.000 1.077 346 D CA 0.201 54.096 54.000 -0.176 0.000 0.842 346 D CB 0.639 41.383 40.800 -0.094 0.000 0.947 346 D HN 0.275 nan 8.370 nan 0.000 0.509 347 A N 1.162 123.827 122.820 -0.258 0.000 2.511 347 A HA 0.303 4.418 4.320 -0.342 0.000 0.242 347 A C 0.696 178.197 177.584 -0.137 0.000 1.069 347 A CA -0.351 51.559 52.037 -0.212 0.000 0.763 347 A CB 0.252 19.144 19.000 -0.181 0.000 1.001 347 A HN 0.098 nan 8.150 nan 0.000 0.498 348 V N 2.122 121.961 119.914 -0.125 0.000 2.530 348 V HA 0.586 4.501 4.120 -0.342 0.000 0.282 348 V C 0.588 176.673 176.094 -0.015 0.000 1.048 348 V CA -0.018 62.234 62.300 -0.080 0.000 0.997 348 V CB 0.192 31.931 31.823 -0.139 0.000 0.987 348 V HN 1.133 nan 8.190 nan 0.000 0.477 349 T N 2.187 116.747 114.554 0.010 0.000 2.754 349 T HA 0.337 4.482 4.350 -0.342 0.000 0.286 349 T C 1.057 175.804 174.700 0.078 0.000 0.997 349 T CA 0.251 62.369 62.100 0.030 0.000 0.982 349 T CB 0.991 69.863 68.868 0.008 0.000 1.027 349 T HN 0.759 nan 8.240 nan 0.000 0.529 350 I N 0.824 121.429 120.570 0.058 0.000 2.248 350 I HA -0.056 3.908 4.170 -0.342 0.000 0.248 350 I C 2.287 178.427 176.117 0.039 0.000 1.107 350 I CA 1.961 63.295 61.300 0.056 0.000 1.373 350 I CB -0.808 37.209 38.000 0.029 0.000 1.055 350 I HN 0.849 nan 8.210 nan 0.000 0.418 351 A N -1.177 121.663 122.820 0.033 0.000 2.303 351 A HA 0.122 4.237 4.320 -0.342 0.000 0.217 351 A C 1.977 179.581 177.584 0.034 0.000 1.205 351 A CA 0.133 52.179 52.037 0.015 0.000 0.875 351 A CB -0.468 18.537 19.000 0.007 0.000 0.910 351 A HN 0.468 nan 8.150 nan 0.000 0.501 352 E N -0.532 119.710 120.200 0.070 0.000 2.338 352 E HA -0.047 4.098 4.350 -0.342 0.000 0.197 352 E C 0.513 177.200 176.600 0.145 0.000 1.007 352 E CA 1.003 57.452 56.400 0.080 0.000 0.849 352 E CB -0.098 29.638 29.700 0.060 0.000 0.774 352 E HN 0.991 nan 8.360 nan 0.000 0.506 353 H N 0.000 119.069 119.070 -0.002 0.000 2.539 353 H HA 0.000 4.352 4.556 -0.340 0.000 0.296 353 H CA 0.000 56.048 56.048 0.001 0.000 1.023 353 H CB 0.000 29.763 29.762 0.001 0.000 1.292 353 H HN 0.000 nan 8.280 nan 0.000 0.496