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 3l73_1_P DATA FIRST_RESID 2 DATA SEQUENCE APNIRKSHPL LKMINNSLID LPAPSNISAW WNFGSLLAVC LMTQILTGLL DATA SEQUENCE LAMHYTADTS LAFSSVAHTC RNVQYGWLIR NLHANGASFF FICIFLHIGR DATA SEQUENCE GLYYGSYLYK ETWNTGVILL LTLMATAFVG YVLPWGQMSF WGATVITNLF DATA SEQUENCE SAIPYIGHTL VEWAWGGFSV DNPTLTRFFA LHFLLPFAIA GITIIHLTFL DATA SEQUENCE HESGSNNPLG ISSDSDKIPF HPYYSFKDIL GLTLMLTPFL TLALFSPNLL DATA SEQUENCE GDPENFTPAN PLVTPPHIKP EWYFLFAYAI LRSIPNKLGG VLALAASVLI DATA SEQUENCE LFLIPFLHKS KQRTMTFRPL SQTLFWLLVA NLLILTWIGS QPVEHPFIII DATA SEQUENCE GQMASLSYFT ILLILFPTIG TLENKMLNY 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 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.592 177.584 0.013 0.000 1.274 2 A CA 0.000 52.044 52.037 0.012 0.000 0.836 2 A CB 0.000 19.009 19.000 0.015 0.000 0.831 3 P HA -0.051 nan 4.420 nan 0.000 0.208 3 P C 0.045 177.351 177.300 0.010 0.000 1.195 3 P CA 1.131 64.237 63.100 0.010 0.000 0.927 3 P CB -0.377 31.328 31.700 0.009 0.000 0.778 4 N N 0.695 119.402 118.700 0.012 0.000 2.472 4 N HA 0.039 4.779 4.740 -0.000 0.000 0.277 4 N C 0.851 176.370 175.510 0.015 0.000 1.081 4 N CA -0.421 52.636 53.050 0.010 0.000 0.973 4 N CB 1.366 39.859 38.487 0.010 0.000 1.105 4 N HN -0.075 nan 8.380 nan 0.000 0.470 5 I N 0.660 121.236 120.570 0.010 0.000 3.164 5 I HA -0.123 4.047 4.170 -0.000 0.000 0.278 5 I C 2.069 178.203 176.117 0.027 0.000 1.320 5 I CA 0.686 61.997 61.300 0.018 0.000 1.422 5 I CB -1.232 36.761 38.000 -0.012 0.000 1.066 5 I HN 0.679 nan 8.210 nan 0.000 0.503 6 R N 1.323 121.834 120.500 0.019 0.000 2.240 6 R HA -0.029 4.311 4.340 -0.000 0.000 0.203 6 R C 1.747 178.071 176.300 0.039 0.000 1.011 6 R CA 0.630 56.743 56.100 0.023 0.000 1.007 6 R CB 0.346 30.652 30.300 0.011 0.000 0.911 6 R HN 0.304 nan 8.270 nan 0.000 0.468 7 K N -0.858 119.564 120.400 0.038 0.000 2.350 7 K HA 0.060 4.380 4.320 -0.000 0.000 0.196 7 K C 1.997 178.619 176.600 0.038 0.000 1.084 7 K CA 0.823 57.130 56.287 0.033 0.000 0.967 7 K CB 0.533 33.046 32.500 0.023 0.000 0.950 7 K HN 0.091 nan 8.250 nan 0.000 0.512 8 S N 0.382 116.111 115.700 0.048 0.000 2.348 8 S HA -0.115 4.355 4.470 -0.000 0.000 0.219 8 S C 0.941 175.578 174.600 0.062 0.000 1.033 8 S CA 0.345 58.573 58.200 0.046 0.000 0.974 8 S CB -0.743 62.484 63.200 0.044 0.000 0.868 8 S HN 0.317 nan 8.310 nan 0.000 0.459 9 H N 5.784 124.851 119.070 -0.006 0.000 3.167 9 H HA 0.096 4.652 4.556 -0.000 0.000 0.306 9 H C -1.391 173.932 175.328 -0.008 0.000 0.965 9 H CA -0.576 55.468 56.048 -0.007 0.000 1.408 9 H CB 0.667 30.424 29.762 -0.008 0.000 1.406 9 H HN 0.101 nan 8.280 nan 0.000 0.576 10 P HA -0.188 nan 4.420 nan 0.000 0.219 10 P C 1.117 178.288 177.300 -0.215 0.000 1.146 10 P CA 1.326 64.254 63.100 -0.288 0.000 0.808 10 P CB 0.501 32.027 31.700 -0.289 0.000 0.779 11 L N -1.446 119.615 121.223 -0.270 0.000 2.262 11 L HA 0.060 4.400 4.340 -0.000 0.000 0.197 11 L C 2.845 179.813 176.870 0.163 0.000 1.073 11 L CA 0.469 55.331 54.840 0.037 0.000 0.800 11 L CB -0.847 41.294 42.059 0.136 0.000 0.987 11 L HN -0.174 nan 8.230 nan 0.000 0.470 12 L N 0.512 121.958 121.223 0.371 0.000 2.043 12 L HA -0.285 4.055 4.340 -0.000 0.000 0.212 12 L C 2.683 179.607 176.870 0.090 0.000 1.075 12 L CA 1.494 56.430 54.840 0.160 0.000 0.752 12 L CB -0.684 41.434 42.059 0.099 0.000 0.891 12 L HN 0.344 nan 8.230 nan 0.000 0.432 13 K N 0.591 121.046 120.400 0.093 0.000 2.113 13 K HA -0.232 4.088 4.320 -0.000 0.000 0.208 13 K C 2.071 178.685 176.600 0.023 0.000 1.047 13 K CA 1.720 58.033 56.287 0.043 0.000 0.928 13 K CB -0.074 32.440 32.500 0.024 0.000 0.716 13 K HN 0.305 nan 8.250 nan 0.000 0.446 14 M N 0.291 119.904 119.600 0.021 0.000 2.156 14 M HA -0.081 4.399 4.480 -0.000 0.000 0.264 14 M C 2.198 178.506 176.300 0.012 0.000 1.067 14 M CA 1.275 56.583 55.300 0.012 0.000 1.131 14 M CB -0.195 32.408 32.600 0.005 0.000 1.368 14 M HN 0.119 nan 8.290 nan 0.000 0.416 15 I N 0.476 121.056 120.570 0.016 0.000 2.315 15 I HA -0.280 3.890 4.170 -0.000 0.000 0.248 15 I C 2.220 178.331 176.117 -0.009 0.000 1.117 15 I CA 1.246 62.547 61.300 0.002 0.000 1.404 15 I CB -0.570 37.433 38.000 0.006 0.000 1.071 15 I HN 0.387 nan 8.210 nan 0.000 0.419 16 N N 1.506 120.208 118.700 0.003 0.000 2.106 16 N HA -0.165 4.575 4.740 -0.000 0.000 0.188 16 N C 1.321 176.826 175.510 -0.010 0.000 1.029 16 N CA 1.371 54.424 53.050 0.004 0.000 0.848 16 N CB -0.109 38.387 38.487 0.016 0.000 1.007 16 N HN 0.160 nan 8.380 nan 0.000 0.423 17 N N -0.588 118.102 118.700 -0.016 0.000 2.567 17 N HA -0.011 4.729 4.740 -0.000 0.000 0.195 17 N C 0.145 175.591 175.510 -0.107 0.000 1.242 17 N CA 0.752 53.775 53.050 -0.045 0.000 0.884 17 N CB 0.174 38.646 38.487 -0.025 0.000 1.007 17 N HN 0.465 nan 8.380 nan 0.000 0.450 18 S N -1.875 113.768 115.700 -0.096 0.000 2.820 18 S HA 0.298 4.768 4.470 -0.000 0.000 0.265 18 S C 0.595 175.038 174.600 -0.261 0.000 1.043 18 S CA -0.410 57.718 58.200 -0.121 0.000 1.245 18 S CB 0.213 63.510 63.200 0.161 0.000 1.187 18 S HN 0.118 nan 8.310 nan 0.000 0.673 19 L N 0.346 121.426 121.223 -0.238 0.000 3.826 19 L HA 0.538 4.878 4.340 -0.000 0.000 0.362 19 L C 0.342 177.241 176.870 0.049 0.000 1.235 19 L CA 0.227 54.853 54.840 -0.357 0.000 1.207 19 L CB 0.539 42.479 42.059 -0.199 0.000 1.518 19 L HN 0.240 nan 8.230 nan 0.000 0.628 20 I N -1.455 119.177 120.570 0.104 0.000 4.147 20 I HA 0.101 4.271 4.170 -0.000 0.000 0.278 20 I C 0.375 176.615 176.117 0.204 0.000 1.133 20 I CA 0.226 61.654 61.300 0.213 0.000 1.317 20 I CB 0.883 38.936 38.000 0.089 0.000 1.688 20 I HN -0.069 nan 8.210 nan 0.000 0.432 21 D N 1.510 121.976 120.400 0.111 0.000 2.363 21 D HA 0.196 4.836 4.640 -0.000 0.000 0.214 21 D C 0.169 176.512 176.300 0.072 0.000 1.093 21 D CA -0.046 54.010 54.000 0.093 0.000 0.837 21 D CB 0.479 41.312 40.800 0.054 0.000 0.948 21 D HN -0.011 nan 8.370 nan 0.000 0.507 22 L N 1.319 122.581 121.223 0.065 0.000 2.410 22 L HA 0.327 4.667 4.340 -0.000 0.000 0.273 22 L C -2.490 174.430 176.870 0.083 0.000 1.144 22 L CA -1.272 53.565 54.840 -0.004 0.000 0.863 22 L CB 0.494 42.476 42.059 -0.127 0.000 1.140 22 L HN -0.242 nan 8.230 nan 0.000 0.463 23 P HA 0.307 nan 4.420 nan 0.000 0.276 23 P C -1.333 176.010 177.300 0.071 0.000 1.253 23 P CA 0.030 63.168 63.100 0.065 0.000 0.766 23 P CB 1.009 32.725 31.700 0.026 0.000 0.845 24 A N 5.568 128.465 122.820 0.127 0.000 2.386 24 A HA 0.716 5.036 4.320 -0.000 0.000 0.311 24 A C -2.751 174.870 177.584 0.062 0.000 1.068 24 A CA -2.221 49.863 52.037 0.079 0.000 0.743 24 A CB 0.831 19.894 19.000 0.106 0.000 1.258 24 A HN 0.272 nan 8.150 nan 0.000 0.429 25 P HA 0.039 nan 4.420 nan 0.000 0.266 25 P C 0.959 178.259 177.300 -0.000 0.000 1.195 25 P CA 0.411 63.471 63.100 -0.067 0.000 0.768 25 P CB 0.818 32.406 31.700 -0.186 0.000 0.838 26 S N 1.317 117.005 115.700 -0.020 0.000 2.481 26 S HA -0.109 4.361 4.470 -0.000 0.000 0.231 26 S C 1.075 175.643 174.600 -0.053 0.000 0.996 26 S CA 0.693 58.867 58.200 -0.044 0.000 0.942 26 S CB -0.739 62.400 63.200 -0.102 0.000 0.768 26 S HN 0.582 nan 8.310 nan 0.000 0.520 27 N N 1.942 120.590 118.700 -0.086 0.000 2.238 27 N HA 0.121 4.861 4.740 -0.000 0.000 0.222 27 N C 0.312 175.702 175.510 -0.200 0.000 1.133 27 N CA -0.468 52.516 53.050 -0.110 0.000 0.854 27 N CB -0.360 38.067 38.487 -0.100 0.000 1.041 27 N HN 0.680 nan 8.380 nan 0.000 0.510 28 I N -0.013 120.391 120.570 -0.276 0.000 2.588 28 I HA 0.206 4.376 4.170 -0.000 0.000 0.283 28 I C 0.762 176.786 176.117 -0.155 0.000 1.119 28 I CA -0.747 60.215 61.300 -0.564 0.000 1.419 28 I CB 0.809 38.261 38.000 -0.913 0.000 1.394 28 I HN 0.015 nan 8.210 nan 0.000 0.562 29 S N 4.636 120.311 115.700 -0.042 0.000 2.552 29 S HA 0.556 5.026 4.470 -0.000 0.000 0.271 29 S C 1.321 176.047 174.600 0.209 0.000 1.168 29 S CA -0.216 58.075 58.200 0.152 0.000 1.026 29 S CB 1.041 64.400 63.200 0.266 0.000 1.120 29 S HN 0.868 nan 8.310 nan 0.000 0.514 30 A N -0.693 122.152 122.820 0.043 0.000 2.067 30 A HA 0.074 4.394 4.320 -0.000 0.000 0.219 30 A C 1.658 179.178 177.584 -0.106 0.000 1.158 30 A CA 0.683 52.644 52.037 -0.126 0.000 0.661 30 A CB -1.235 17.579 19.000 -0.311 0.000 0.801 30 A HN 0.869 nan 8.150 nan 0.000 0.452 31 W N -1.466 120.045 121.300 0.351 0.000 2.632 31 W HA -0.066 4.594 4.660 -0.000 0.000 0.248 31 W C 1.569 178.226 176.519 0.231 0.000 1.259 31 W CA -0.236 57.341 57.345 0.386 0.000 1.288 31 W CB -0.130 29.486 29.460 0.259 0.000 1.136 31 W HN 0.461 nan 8.180 nan 0.000 0.640 32 W N -0.033 121.383 121.300 0.193 0.000 3.316 32 W HA 0.055 4.715 4.660 -0.000 0.000 0.327 32 W C 0.715 177.271 176.519 0.062 0.000 1.232 32 W CA 0.062 57.487 57.345 0.134 0.000 1.805 32 W CB -0.347 29.127 29.460 0.024 0.000 1.090 32 W HN -0.062 nan 8.180 nan 0.000 0.654 33 N N -0.128 118.587 118.700 0.025 0.000 2.424 33 N HA -0.042 4.698 4.740 -0.000 0.000 0.178 33 N C 1.140 176.487 175.510 -0.271 0.000 1.060 33 N CA 0.783 53.730 53.050 -0.172 0.000 0.901 33 N CB -0.544 37.720 38.487 -0.372 0.000 0.979 33 N HN -0.075 nan 8.380 nan 0.000 0.451 34 F N 0.180 120.202 119.950 0.120 0.000 2.451 34 F HA 0.130 4.657 4.527 -0.000 0.000 0.299 34 F C 2.309 178.066 175.800 -0.071 0.000 1.101 34 F CA 0.510 58.538 58.000 0.046 0.000 1.436 34 F CB -0.804 38.268 39.000 0.121 0.000 1.074 34 F HN 0.043 nan 8.300 nan 0.000 0.553 35 G N 0.107 108.990 108.800 0.139 0.000 2.434 35 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.214 35 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.214 35 G C 1.822 176.703 174.900 -0.033 0.000 1.202 35 G CA 1.114 46.211 45.100 -0.006 0.000 0.788 35 G HN 0.415 nan 8.290 nan 0.000 0.539 36 S N 0.927 116.654 115.700 0.044 0.000 2.370 36 S HA -0.038 4.432 4.470 -0.000 0.000 0.226 36 S C 2.357 176.942 174.600 -0.024 0.000 1.033 36 S CA 1.169 59.389 58.200 0.033 0.000 1.011 36 S CB -0.504 62.757 63.200 0.101 0.000 0.852 36 S HN 0.272 nan 8.310 nan 0.000 0.457 37 L N 0.913 122.121 121.223 -0.026 0.000 2.012 37 L HA -0.100 4.240 4.340 -0.000 0.000 0.210 37 L C 2.705 179.504 176.870 -0.118 0.000 1.073 37 L CA 1.343 56.182 54.840 -0.001 0.000 0.748 37 L CB -0.756 41.335 42.059 0.052 0.000 0.891 37 L HN 0.298 nan 8.230 nan 0.000 0.431 38 L N -0.453 120.632 121.223 -0.230 0.000 2.013 38 L HA -0.278 4.062 4.340 -0.000 0.000 0.212 38 L C 2.882 179.476 176.870 -0.460 0.000 1.073 38 L CA 1.419 55.969 54.840 -0.484 0.000 0.753 38 L CB -0.725 41.057 42.059 -0.461 0.000 0.890 38 L HN 0.293 nan 8.230 nan 0.000 0.432 39 A N -0.298 122.376 122.820 -0.243 0.000 1.851 39 A HA -0.187 4.133 4.320 -0.000 0.000 0.216 39 A C 2.293 179.786 177.584 -0.151 0.000 1.195 39 A CA 2.084 54.027 52.037 -0.157 0.000 0.622 39 A CB -1.044 17.912 19.000 -0.074 0.000 0.831 39 A HN 0.182 nan 8.150 nan 0.000 0.444 40 V N -0.771 119.073 119.914 -0.117 0.000 2.282 40 V HA -0.368 3.752 4.120 -0.000 0.000 0.249 40 V C 2.710 178.717 176.094 -0.144 0.000 1.057 40 V CA 2.067 64.309 62.300 -0.096 0.000 1.032 40 V CB -1.417 30.368 31.823 -0.062 0.000 0.645 40 V HN 0.806 nan 8.190 nan 0.000 0.447 41 C N -0.319 118.847 119.300 -0.223 0.000 2.385 41 C HA -0.216 4.244 4.460 -0.000 0.000 0.275 41 C C 2.671 177.522 174.990 -0.231 0.000 1.207 41 C CA 1.731 60.564 59.018 -0.308 0.000 1.760 41 C CB -1.096 26.314 27.740 -0.551 0.000 2.051 41 C HN 0.615 nan 8.230 nan 0.000 0.467 42 L N 0.673 121.745 121.223 -0.253 0.000 2.017 42 L HA -0.102 4.238 4.340 -0.000 0.000 0.208 42 L C 2.425 179.297 176.870 0.003 0.000 1.073 42 L CA 2.253 57.120 54.840 0.044 0.000 0.745 42 L CB -0.675 41.401 42.059 0.029 0.000 0.894 42 L HN 0.366 nan 8.230 nan 0.000 0.432 43 M N -1.465 118.112 119.600 -0.040 0.000 2.213 43 M HA -0.181 4.299 4.480 -0.000 0.000 0.263 43 M C 1.928 178.217 176.300 -0.019 0.000 1.062 43 M CA 2.082 57.366 55.300 -0.028 0.000 1.105 43 M CB -0.668 31.915 32.600 -0.029 0.000 1.385 43 M HN 0.299 nan 8.290 nan 0.000 0.417 44 T N -0.367 114.174 114.554 -0.023 0.000 2.777 44 T HA -0.112 4.238 4.350 -0.000 0.000 0.266 44 T C 1.908 176.640 174.700 0.054 0.000 1.040 44 T CA 0.874 62.974 62.100 -0.001 0.000 1.141 44 T CB -0.156 68.694 68.868 -0.030 0.000 0.868 44 T HN 0.303 nan 8.240 nan 0.000 0.444 45 Q N 0.756 120.600 119.800 0.074 0.000 2.020 45 Q HA 0.024 4.364 4.340 -0.000 0.000 0.202 45 Q C 2.479 178.549 176.000 0.117 0.000 0.982 45 Q CA 1.277 57.168 55.803 0.146 0.000 0.838 45 Q CB -0.715 28.081 28.738 0.098 0.000 0.899 45 Q HN 0.529 nan 8.270 nan 0.000 0.423 46 I N 0.353 120.908 120.570 -0.025 0.000 2.151 46 I HA -0.309 3.861 4.170 -0.000 0.000 0.243 46 I C 2.290 178.357 176.117 -0.084 0.000 1.080 46 I CA 0.793 62.011 61.300 -0.136 0.000 1.339 46 I CB -0.318 37.581 38.000 -0.168 0.000 1.039 46 I HN 0.164 nan 8.210 nan 0.000 0.409 47 L N 0.624 121.830 121.223 -0.029 0.000 2.017 47 L HA -0.217 4.123 4.340 -0.000 0.000 0.208 47 L C 2.791 179.641 176.870 -0.033 0.000 1.073 47 L CA 2.652 57.480 54.840 -0.020 0.000 0.745 47 L CB -1.040 41.015 42.059 -0.007 0.000 0.894 47 L HN 0.467 nan 8.230 nan 0.000 0.432 48 T N -4.003 110.551 114.554 -0.000 0.000 2.857 48 T HA -0.031 4.319 4.350 -0.000 0.000 0.266 48 T C 1.970 176.543 174.700 -0.211 0.000 1.048 48 T CA 0.769 62.856 62.100 -0.022 0.000 1.139 48 T CB -1.303 67.638 68.868 0.121 0.000 0.874 48 T HN 0.369 nan 8.240 nan 0.000 0.455 49 G N 1.594 110.204 108.800 -0.317 0.000 2.418 49 G HA2 -0.040 3.920 3.960 -0.000 0.000 0.217 49 G HA3 -0.040 3.920 3.960 -0.000 0.000 0.217 49 G C 1.530 176.225 174.900 -0.341 0.000 1.158 49 G CA 0.727 45.465 45.100 -0.603 0.000 0.771 49 G HN 0.508 nan 8.290 nan 0.000 0.545 50 L N -0.205 120.877 121.223 -0.235 0.000 1.994 50 L HA -0.004 4.336 4.340 -0.000 0.000 0.208 50 L C 2.919 179.757 176.870 -0.053 0.000 1.071 50 L CA 0.630 55.381 54.840 -0.149 0.000 0.745 50 L CB -0.445 41.575 42.059 -0.066 0.000 0.892 50 L HN 0.167 nan 8.230 nan 0.000 0.431 51 L N -0.511 120.687 121.223 -0.042 0.000 2.081 51 L HA -0.285 4.055 4.340 -0.000 0.000 0.212 51 L C 2.456 179.374 176.870 0.079 0.000 1.080 51 L CA 1.291 56.143 54.840 0.021 0.000 0.754 51 L CB -0.317 41.748 42.059 0.010 0.000 0.893 51 L HN 0.320 nan 8.230 nan 0.000 0.433 52 L N -1.245 119.975 121.223 -0.004 0.000 2.131 52 L HA -0.078 4.262 4.340 -0.000 0.000 0.206 52 L C 2.719 179.660 176.870 0.118 0.000 1.087 52 L CA 0.829 55.696 54.840 0.045 0.000 0.767 52 L CB -0.596 41.403 42.059 -0.101 0.000 0.917 52 L HN 0.208 nan 8.230 nan 0.000 0.441 53 A N -0.157 122.717 122.820 0.090 0.000 2.121 53 A HA -0.144 4.176 4.320 -0.000 0.000 0.218 53 A C 2.088 179.814 177.584 0.237 0.000 1.154 53 A CA 1.132 53.327 52.037 0.263 0.000 0.679 53 A CB -0.432 18.754 19.000 0.309 0.000 0.795 53 A HN 0.399 nan 8.150 nan 0.000 0.458 54 M N -1.356 118.290 119.600 0.077 0.000 2.659 54 M HA 0.040 4.520 4.480 -0.000 0.000 0.243 54 M C 0.607 176.705 176.300 -0.336 0.000 1.111 54 M CA 0.846 56.079 55.300 -0.113 0.000 1.070 54 M CB -0.174 32.286 32.600 -0.234 0.000 1.525 54 M HN 0.562 nan 8.290 nan 0.000 0.517 55 H N -3.061 116.097 119.070 0.147 0.000 3.540 55 H HA 0.172 4.728 4.556 -0.000 0.000 0.259 55 H C -0.622 174.797 175.328 0.151 0.000 1.197 55 H CA -0.414 55.724 56.048 0.149 0.000 1.136 55 H CB 0.717 30.568 29.762 0.149 0.000 1.605 55 H HN 0.204 nan 8.280 nan 0.000 0.657 56 Y N 1.473 121.813 120.300 0.067 0.000 2.335 56 Y HA 0.460 5.010 4.550 -0.000 0.000 0.323 56 Y C -0.350 175.456 175.900 -0.157 0.000 1.224 56 Y CA -0.265 57.794 58.100 -0.067 0.000 1.241 56 Y CB 1.283 39.641 38.460 -0.170 0.000 1.235 56 Y HN -0.128 nan 8.280 nan 0.000 0.492 57 T N 4.912 118.855 114.554 -1.018 0.000 2.881 57 T HA 0.539 4.889 4.350 -0.000 0.000 0.291 57 T C -0.827 173.146 174.700 -1.211 0.000 0.990 57 T CA -0.497 61.127 62.100 -0.794 0.000 0.976 57 T CB 0.831 69.431 68.868 -0.447 0.000 0.970 57 T HN 0.771 nan 8.240 nan 0.000 0.438 58 A N 3.555 125.893 122.820 -0.803 0.000 3.004 58 A HA 0.544 4.864 4.320 -0.000 0.000 0.286 58 A C -0.065 177.308 177.584 -0.351 0.000 1.632 58 A CA -0.221 51.512 52.037 -0.506 0.000 1.339 58 A CB -0.599 18.310 19.000 -0.152 0.000 1.136 58 A HN 0.825 nan 8.150 nan 0.000 0.577 59 D N 0.336 120.481 120.400 -0.425 0.000 2.966 59 D HA 0.302 4.942 4.640 -0.000 0.000 0.222 59 D C 1.374 177.425 176.300 -0.415 0.000 1.292 59 D CA 0.272 54.065 54.000 -0.345 0.000 0.907 59 D CB 1.313 41.960 40.800 -0.255 0.000 1.621 59 D HN 0.233 nan 8.370 nan 0.000 0.557 60 T N 0.263 114.517 114.554 -0.499 0.000 2.685 60 T HA -0.292 4.058 4.350 -0.000 0.000 0.268 60 T C 1.857 176.417 174.700 -0.233 0.000 1.034 60 T CA 1.860 63.611 62.100 -0.581 0.000 1.149 60 T CB -0.589 68.053 68.868 -0.375 0.000 0.860 60 T HN 0.362 nan 8.240 nan 0.000 0.449 61 S N 0.750 116.351 115.700 -0.164 0.000 2.555 61 S HA 0.210 4.680 4.470 -0.000 0.000 0.230 61 S C 1.612 176.165 174.600 -0.078 0.000 0.978 61 S CA 0.447 58.595 58.200 -0.086 0.000 0.934 61 S CB -0.510 62.641 63.200 -0.082 0.000 0.766 61 S HN 0.649 nan 8.310 nan 0.000 0.533 62 L N -0.856 120.286 121.223 -0.136 0.000 3.128 62 L HA 0.461 4.801 4.340 -0.000 0.000 0.277 62 L C 2.461 179.230 176.870 -0.168 0.000 1.171 62 L CA 0.425 55.184 54.840 -0.134 0.000 1.008 62 L CB -0.438 41.511 42.059 -0.184 0.000 1.442 62 L HN 0.264 nan 8.230 nan 0.000 0.584 63 A N 1.187 123.875 122.820 -0.220 0.000 1.849 63 A HA -0.295 4.025 4.320 -0.000 0.000 0.217 63 A C 2.047 179.662 177.584 0.051 0.000 1.202 63 A CA 2.101 54.015 52.037 -0.206 0.000 0.629 63 A CB -0.937 17.998 19.000 -0.109 0.000 0.834 63 A HN 0.354 nan 8.150 nan 0.000 0.447 64 F N 1.896 121.884 119.950 0.064 0.000 2.063 64 F HA -0.284 4.243 4.527 -0.000 0.000 0.298 64 F C 2.850 178.677 175.800 0.045 0.000 1.109 64 F CA 2.638 60.690 58.000 0.085 0.000 1.212 64 F CB -0.283 38.777 39.000 0.099 0.000 0.973 64 F HN 0.331 nan 8.300 nan 0.000 0.480 65 S N -0.683 115.138 115.700 0.201 0.000 2.428 65 S HA -0.148 4.322 4.470 -0.000 0.000 0.230 65 S C 2.135 176.758 174.600 0.037 0.000 1.014 65 S CA 0.844 59.113 58.200 0.115 0.000 0.957 65 S CB -1.089 62.191 63.200 0.134 0.000 0.784 65 S HN 0.554 nan 8.310 nan 0.000 0.499 66 S N 1.808 117.503 115.700 -0.008 0.000 2.368 66 S HA -0.031 4.439 4.470 -0.000 0.000 0.224 66 S C 1.825 176.486 174.600 0.102 0.000 1.029 66 S CA 0.961 59.173 58.200 0.021 0.000 0.988 66 S CB -1.050 62.074 63.200 -0.127 0.000 0.838 66 S HN 0.357 nan 8.310 nan 0.000 0.462 67 V N 2.632 122.567 119.914 0.036 0.000 2.343 67 V HA -0.103 4.017 4.120 -0.000 0.000 0.247 67 V C 3.159 179.210 176.094 -0.071 0.000 1.051 67 V CA 1.697 63.995 62.300 -0.003 0.000 1.036 67 V CB -1.491 30.272 31.823 -0.099 0.000 0.654 67 V HN 0.677 nan 8.190 nan 0.000 0.451 68 A N -0.509 122.231 122.820 -0.133 0.000 1.898 68 A HA -0.273 4.047 4.320 -0.000 0.000 0.216 68 A C 2.264 179.850 177.584 0.004 0.000 1.181 68 A CA 1.827 53.809 52.037 -0.093 0.000 0.620 68 A CB -0.896 18.051 19.000 -0.088 0.000 0.819 68 A HN 0.742 nan 8.150 nan 0.000 0.442 69 H N 0.120 119.169 119.070 -0.034 0.000 2.387 69 H HA -0.107 4.449 4.556 -0.000 0.000 0.299 69 H C 1.776 177.084 175.328 -0.034 0.000 1.090 69 H CA 1.994 58.031 56.048 -0.019 0.000 1.332 69 H CB -0.298 29.458 29.762 -0.010 0.000 1.386 69 H HN 0.399 nan 8.280 nan 0.000 0.516 70 T N 0.302 114.759 114.554 -0.162 0.000 2.746 70 T HA -0.141 4.209 4.350 -0.000 0.000 0.267 70 T C 2.455 177.048 174.700 -0.178 0.000 1.039 70 T CA 1.419 63.376 62.100 -0.237 0.000 1.142 70 T CB -0.598 68.242 68.868 -0.047 0.000 0.866 70 T HN 0.488 nan 8.240 nan 0.000 0.444 71 C N 1.056 120.317 119.300 -0.066 0.000 2.457 71 C HA 0.109 4.569 4.460 -0.000 0.000 0.278 71 C C 2.851 177.864 174.990 0.039 0.000 1.309 71 C CA 0.182 59.225 59.018 0.042 0.000 1.735 71 C CB -0.888 26.895 27.740 0.071 0.000 1.992 71 C HN 0.514 nan 8.230 nan 0.000 0.493 72 R N 0.817 121.295 120.500 -0.037 0.000 2.127 72 R HA 0.046 4.386 4.340 -0.000 0.000 0.217 72 R C 1.472 177.721 176.300 -0.085 0.000 1.074 72 R CA 0.874 56.950 56.100 -0.041 0.000 0.991 72 R CB -0.060 30.229 30.300 -0.018 0.000 0.895 72 R HN 0.585 nan 8.270 nan 0.000 0.450 73 N N -0.459 118.122 118.700 -0.199 0.000 2.460 73 N HA 0.049 4.789 4.740 -0.000 0.000 0.193 73 N C -0.011 175.354 175.510 -0.241 0.000 1.080 73 N CA 0.201 53.123 53.050 -0.213 0.000 0.869 73 N CB 0.709 39.052 38.487 -0.240 0.000 1.201 73 N HN -0.131 nan 8.380 nan 0.000 0.457 74 V N 3.865 123.565 119.914 -0.356 0.000 2.521 74 V HA 0.024 4.144 4.120 -0.000 0.000 0.286 74 V C 0.404 176.387 176.094 -0.186 0.000 1.034 74 V CA -0.385 61.718 62.300 -0.329 0.000 1.045 74 V CB 0.797 32.284 31.823 -0.560 0.000 0.974 74 V HN 0.157 nan 8.190 nan 0.000 0.480 75 Q N 5.269 124.996 119.800 -0.122 0.000 2.292 75 Q HA -0.027 4.313 4.340 -0.000 0.000 0.290 75 Q C 0.100 176.075 176.000 -0.041 0.000 1.161 75 Q CA 0.586 56.328 55.803 -0.102 0.000 0.974 75 Q CB -0.661 28.103 28.738 0.044 0.000 1.136 75 Q HN 0.812 nan 8.270 nan 0.000 0.398 76 Y N -0.405 119.819 120.300 -0.125 0.000 4.668 76 Y HA -0.323 4.227 4.550 -0.000 0.000 0.234 76 Y C 1.561 177.167 175.900 -0.490 0.000 1.056 76 Y CA 0.581 58.423 58.100 -0.430 0.000 2.025 76 Y CB -1.803 36.446 38.460 -0.352 0.000 1.613 76 Y HN 0.718 nan 8.280 nan 0.000 0.653 77 G N 0.875 109.557 108.800 -0.196 0.000 2.440 77 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.218 77 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.218 77 G C 1.372 176.195 174.900 -0.130 0.000 1.154 77 G CA 1.135 46.141 45.100 -0.157 0.000 0.767 77 G HN 0.799 nan 8.290 nan 0.000 0.552 78 W N 0.756 122.029 121.300 -0.045 0.000 2.342 78 W HA -0.066 4.594 4.660 0.000 0.000 0.297 78 W C 1.781 178.311 176.519 0.018 0.000 1.213 78 W CA 0.914 58.247 57.345 -0.019 0.000 1.251 78 W CB -1.200 28.239 29.460 -0.034 0.000 1.136 78 W HN 0.205 nan 8.180 nan 0.000 0.526 79 L N 1.983 122.510 121.223 -1.161 0.000 2.005 79 L HA -0.097 4.243 4.340 -0.000 0.000 0.207 79 L C 2.590 179.241 176.870 -0.365 0.000 1.072 79 L CA 1.909 56.145 54.840 -1.006 0.000 0.744 79 L CB -1.254 40.080 42.059 -1.209 0.000 0.895 79 L HN -0.055 nan 8.230 nan 0.000 0.433 80 I N -0.532 119.866 120.570 -0.287 0.000 2.194 80 I HA -0.303 3.867 4.170 -0.000 0.000 0.246 80 I C 2.711 178.820 176.117 -0.014 0.000 1.093 80 I CA 1.152 62.381 61.300 -0.118 0.000 1.355 80 I CB -0.517 37.428 38.000 -0.092 0.000 1.046 80 I HN 0.344 nan 8.210 nan 0.000 0.413 81 R N 1.468 121.964 120.500 -0.006 0.000 2.073 81 R HA -0.143 4.197 4.340 -0.000 0.000 0.234 81 R C 1.813 178.189 176.300 0.126 0.000 1.134 81 R CA 1.856 58.001 56.100 0.075 0.000 0.952 81 R CB -0.964 29.378 30.300 0.071 0.000 0.850 81 R HN 0.503 nan 8.270 nan 0.000 0.433 82 N N 0.205 118.969 118.700 0.107 0.000 2.025 82 N HA -0.173 4.567 4.740 -0.000 0.000 0.194 82 N C 2.043 177.628 175.510 0.125 0.000 1.044 82 N CA 1.567 54.696 53.050 0.132 0.000 0.851 82 N CB -0.218 38.349 38.487 0.133 0.000 1.036 82 N HN 0.109 nan 8.380 nan 0.000 0.422 83 L N 0.159 121.415 121.223 0.055 0.000 2.021 83 L HA -0.275 4.065 4.340 -0.000 0.000 0.215 83 L C 2.505 179.541 176.870 0.277 0.000 1.074 83 L CA 1.448 56.354 54.840 0.110 0.000 0.760 83 L CB -0.669 41.406 42.059 0.027 0.000 0.889 83 L HN 0.348 nan 8.230 nan 0.000 0.433 84 H N -0.313 118.833 119.070 0.127 0.000 2.293 84 H HA -0.117 4.439 4.556 -0.000 0.000 0.300 84 H C 2.130 177.563 175.328 0.175 0.000 1.082 84 H CA 1.633 57.760 56.048 0.131 0.000 1.308 84 H CB -0.023 29.787 29.762 0.080 0.000 1.375 84 H HN 0.294 nan 8.280 nan 0.000 0.495 85 A N 0.224 123.157 122.820 0.188 0.000 1.877 85 A HA -0.221 4.099 4.320 -0.000 0.000 0.216 85 A C 2.223 179.936 177.584 0.215 0.000 1.186 85 A CA 2.030 54.166 52.037 0.164 0.000 0.620 85 A CB -0.694 18.424 19.000 0.197 0.000 0.822 85 A HN 0.645 nan 8.150 nan 0.000 0.443 86 N N -0.377 118.504 118.700 0.302 0.000 2.270 86 N HA 0.013 4.753 4.740 -0.000 0.000 0.181 86 N C 1.756 177.542 175.510 0.460 0.000 1.016 86 N CA 0.927 54.242 53.050 0.441 0.000 0.870 86 N CB -0.298 38.498 38.487 0.516 0.000 0.979 86 N HN 0.469 nan 8.380 nan 0.000 0.431 87 G N 0.583 109.609 108.800 0.376 0.000 2.450 87 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.220 87 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.220 87 G C 1.568 176.530 174.900 0.103 0.000 1.130 87 G CA 0.935 46.077 45.100 0.070 0.000 0.760 87 G HN 0.388 nan 8.290 nan 0.000 0.557 88 A N 0.783 123.658 122.820 0.092 0.000 1.883 88 A HA -0.051 4.269 4.320 -0.000 0.000 0.217 88 A C 2.725 180.414 177.584 0.176 0.000 1.186 88 A CA 2.384 54.453 52.037 0.054 0.000 0.624 88 A CB -0.785 18.224 19.000 0.017 0.000 0.822 88 A HN 0.324 nan 8.150 nan 0.000 0.444 89 S N -1.411 114.485 115.700 0.326 0.000 2.348 89 S HA -0.134 4.336 4.470 -0.000 0.000 0.221 89 S C 1.663 176.562 174.600 0.498 0.000 1.033 89 S CA 1.417 59.943 58.200 0.544 0.000 1.010 89 S CB -0.555 63.130 63.200 0.808 0.000 0.891 89 S HN 0.596 nan 8.310 nan 0.000 0.442 90 F N 1.398 121.439 119.950 0.152 0.000 2.115 90 F HA -0.228 4.299 4.527 -0.000 0.000 0.300 90 F C 1.897 177.701 175.800 0.008 0.000 1.092 90 F CA 1.492 59.477 58.000 -0.024 0.000 1.245 90 F CB -0.411 38.300 39.000 -0.481 0.000 0.995 90 F HN 0.177 nan 8.300 nan 0.000 0.481 91 F N 0.043 120.018 119.950 0.042 0.000 2.065 91 F HA -0.246 4.281 4.527 -0.000 0.000 0.298 91 F C 2.110 177.673 175.800 -0.394 0.000 1.112 91 F CA 1.911 59.794 58.000 -0.196 0.000 1.212 91 F CB -1.119 37.688 39.000 -0.321 0.000 0.975 91 F HN -0.015 nan 8.300 nan 0.000 0.476 92 F N -0.123 119.749 119.950 -0.131 0.000 2.146 92 F HA -0.188 4.339 4.527 -0.000 0.000 0.298 92 F C 2.416 177.983 175.800 -0.388 0.000 1.096 92 F CA 1.321 59.012 58.000 -0.516 0.000 1.275 92 F CB -0.681 37.843 39.000 -0.793 0.000 1.008 92 F HN -0.085 nan 8.300 nan 0.000 0.480 93 I N -0.913 119.837 120.570 0.299 0.000 2.118 93 I HA -0.406 3.764 4.170 -0.000 0.000 0.241 93 I C 2.469 178.577 176.117 -0.016 0.000 1.070 93 I CA 1.332 62.826 61.300 0.323 0.000 1.327 93 I CB -0.704 37.395 38.000 0.163 0.000 1.034 93 I HN 0.234 nan 8.210 nan 0.000 0.405 94 C N 0.382 119.553 119.300 -0.214 0.000 2.413 94 C HA -0.193 4.267 4.460 -0.000 0.000 0.276 94 C C 2.771 177.643 174.990 -0.196 0.000 1.248 94 C CA 0.713 59.584 59.018 -0.245 0.000 1.742 94 C CB -0.798 26.763 27.740 -0.298 0.000 2.017 94 C HN 0.495 nan 8.230 nan 0.000 0.481 95 I N -0.222 120.199 120.570 -0.249 0.000 2.394 95 I HA -0.161 4.009 4.170 -0.000 0.000 0.251 95 I C 1.931 177.994 176.117 -0.090 0.000 1.136 95 I CA 1.566 62.732 61.300 -0.224 0.000 1.425 95 I CB -0.138 37.635 38.000 -0.378 0.000 1.079 95 I HN 0.194 nan 8.210 nan 0.000 0.425 96 F N 0.511 120.486 119.950 0.041 0.000 2.206 96 F HA -0.107 4.420 4.527 -0.000 0.000 0.298 96 F C 2.180 177.957 175.800 -0.038 0.000 1.090 96 F CA 1.062 59.082 58.000 0.034 0.000 1.323 96 F CB -0.945 38.115 39.000 0.101 0.000 1.028 96 F HN -0.023 nan 8.300 nan 0.000 0.492 97 L N -1.056 120.176 121.223 0.015 0.000 2.093 97 L HA -0.216 4.124 4.340 -0.000 0.000 0.208 97 L C 2.483 179.293 176.870 -0.100 0.000 1.085 97 L CA 1.515 56.242 54.840 -0.189 0.000 0.755 97 L CB -0.918 40.656 42.059 -0.808 0.000 0.904 97 L HN 0.167 nan 8.230 nan 0.000 0.435 98 H N 0.603 119.580 119.070 -0.155 0.000 2.319 98 H HA -0.155 4.401 4.556 -0.000 0.000 0.299 98 H C 2.203 177.551 175.328 0.034 0.000 1.092 98 H CA 1.915 57.969 56.048 0.009 0.000 1.302 98 H CB -0.012 29.762 29.762 0.020 0.000 1.373 98 H HN 0.156 nan 8.280 nan 0.000 0.497 99 I N -0.291 120.340 120.570 0.101 0.000 2.179 99 I HA -0.200 3.970 4.170 -0.000 0.000 0.242 99 I C 2.748 178.947 176.117 0.138 0.000 1.088 99 I CA 1.164 62.518 61.300 0.090 0.000 1.357 99 I CB -0.689 37.383 38.000 0.121 0.000 1.051 99 I HN 0.464 nan 8.210 nan 0.000 0.409 100 G N 0.964 109.824 108.800 0.100 0.000 2.545 100 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.217 100 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.217 100 G C 1.765 176.690 174.900 0.042 0.000 1.218 100 G CA 0.749 45.910 45.100 0.103 0.000 0.787 100 G HN 0.182 nan 8.290 nan 0.000 0.571 101 R N 1.317 121.781 120.500 -0.061 0.000 2.134 101 R HA -0.141 4.199 4.340 -0.000 0.000 0.248 101 R C 2.614 178.900 176.300 -0.023 0.000 1.143 101 R CA 2.402 58.449 56.100 -0.089 0.000 0.957 101 R CB -1.396 28.853 30.300 -0.085 0.000 0.867 101 R HN 0.337 nan 8.270 nan 0.000 0.441 102 G N 0.745 109.532 108.800 -0.021 0.000 2.421 102 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.217 102 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.217 102 G C 1.463 176.422 174.900 0.098 0.000 1.143 102 G CA 0.551 45.687 45.100 0.060 0.000 0.784 102 G HN 0.367 nan 8.290 nan 0.000 0.541 103 L N -0.648 120.675 121.223 0.167 0.000 2.072 103 L HA 0.181 4.521 4.340 -0.000 0.000 0.205 103 L C 2.398 179.231 176.870 -0.061 0.000 1.079 103 L CA 1.316 56.234 54.840 0.130 0.000 0.752 103 L CB -0.776 41.376 42.059 0.155 0.000 0.906 103 L HN 0.305 nan 8.230 nan 0.000 0.436 104 Y N -1.253 118.796 120.300 -0.419 0.000 2.421 104 Y HA -0.187 4.363 4.550 -0.000 0.000 0.292 104 Y C 0.914 176.349 175.900 -0.775 0.000 1.136 104 Y CA 1.490 59.031 58.100 -0.931 0.000 1.255 104 Y CB -0.021 37.540 38.460 -1.499 0.000 0.991 104 Y HN 0.308 nan 8.280 nan 0.000 0.552 105 Y N -0.678 119.459 120.300 -0.272 0.000 2.660 105 Y HA 0.338 4.888 4.550 -0.000 0.000 0.254 105 Y C 1.380 177.042 175.900 -0.398 0.000 1.176 105 Y CA -0.213 57.736 58.100 -0.252 0.000 1.195 105 Y CB 0.574 39.039 38.460 0.008 0.000 1.190 105 Y HN 0.051 nan 8.280 nan 0.000 0.535 106 G N 0.495 109.009 108.800 -0.477 0.000 2.395 106 G HA2 -0.335 3.625 3.960 -0.000 0.000 0.300 106 G HA3 -0.335 3.625 3.960 -0.000 0.000 0.300 106 G C 0.936 175.126 174.900 -1.182 0.000 0.998 106 G CA 0.858 45.235 45.100 -1.204 0.000 1.046 106 G HN 0.427 nan 8.290 nan 0.000 0.513 107 S N -0.621 114.613 115.700 -0.777 0.000 2.428 107 S HA -0.058 4.412 4.470 -0.000 0.000 0.230 107 S C 1.928 176.206 174.600 -0.537 0.000 1.014 107 S CA 1.504 59.399 58.200 -0.509 0.000 0.957 107 S CB -0.312 62.804 63.200 -0.141 0.000 0.784 107 S HN 0.972 nan 8.310 nan 0.000 0.499 108 Y N 1.230 121.259 120.300 -0.452 0.000 2.651 108 Y HA 0.116 4.666 4.550 -0.000 0.000 0.293 108 Y C 1.350 176.940 175.900 -0.517 0.000 1.151 108 Y CA 0.056 57.726 58.100 -0.717 0.000 1.362 108 Y CB -1.140 36.164 38.460 -1.926 0.000 0.973 108 Y HN 0.144 nan 8.280 nan 0.000 0.561 109 L N -0.505 120.295 121.223 -0.705 0.000 2.622 109 L HA -0.076 4.264 4.340 -0.000 0.000 0.233 109 L C 0.182 176.946 176.870 -0.177 0.000 1.156 109 L CA 0.376 54.950 54.840 -0.444 0.000 0.866 109 L CB -0.393 41.304 42.059 -0.602 0.000 0.980 109 L HN 0.252 nan 8.230 nan 0.000 0.448 110 Y N 0.509 120.735 120.300 -0.124 0.000 2.832 110 Y HA 0.134 4.684 4.550 -0.000 0.000 0.372 110 Y C 1.436 177.341 175.900 0.008 0.000 1.238 110 Y CA -1.212 56.865 58.100 -0.038 0.000 1.713 110 Y CB -0.692 37.767 38.460 -0.002 0.000 1.809 110 Y HN 0.025 nan 8.280 nan 0.000 0.472 111 K N 0.287 120.757 120.400 0.118 0.000 2.081 111 K HA -0.347 3.973 4.320 -0.000 0.000 0.222 111 K C 1.409 178.046 176.600 0.061 0.000 1.055 111 K CA 2.686 59.021 56.287 0.080 0.000 0.954 111 K CB 0.084 32.585 32.500 0.001 0.000 0.732 111 K HN 0.481 nan 8.250 nan 0.000 0.458 112 E N -0.299 119.812 120.200 -0.149 0.000 2.106 112 E HA -0.112 4.238 4.350 -0.000 0.000 0.192 112 E C 2.063 178.460 176.600 -0.338 0.000 0.984 112 E CA 1.632 57.716 56.400 -0.527 0.000 0.806 112 E CB -0.217 28.568 29.700 -1.525 0.000 0.750 112 E HN 0.280 nan 8.360 nan 0.000 0.458 113 T N 0.642 115.133 114.554 -0.105 0.000 2.746 113 T HA -0.192 4.158 4.350 -0.000 0.000 0.267 113 T C 1.238 176.046 174.700 0.180 0.000 1.039 113 T CA 1.093 63.194 62.100 0.002 0.000 1.142 113 T CB -0.358 68.507 68.868 -0.005 0.000 0.866 113 T HN 0.395 nan 8.240 nan 0.000 0.444 114 W N 2.640 123.981 121.300 0.069 0.000 2.354 114 W HA -0.184 4.476 4.660 -0.000 0.000 0.315 114 W C 1.868 178.470 176.519 0.139 0.000 1.206 114 W CA 1.208 58.623 57.345 0.116 0.000 1.290 114 W CB -0.443 29.067 29.460 0.084 0.000 1.152 114 W HN 0.230 nan 8.180 nan 0.000 0.489 115 N N 0.113 118.941 118.700 0.214 0.000 2.120 115 N HA -0.185 4.555 4.740 -0.000 0.000 0.188 115 N C 1.798 177.404 175.510 0.160 0.000 1.024 115 N CA 2.957 56.159 53.050 0.253 0.000 0.852 115 N CB -1.150 37.504 38.487 0.278 0.000 1.003 115 N HN 0.272 nan 8.380 nan 0.000 0.424 116 T N -1.548 113.086 114.554 0.134 0.000 2.720 116 T HA -0.102 4.248 4.350 -0.000 0.000 0.268 116 T C 2.133 176.860 174.700 0.045 0.000 1.037 116 T CA 1.496 63.696 62.100 0.166 0.000 1.144 116 T CB -1.067 67.991 68.868 0.317 0.000 0.864 116 T HN 0.224 nan 8.240 nan 0.000 0.444 117 G N 1.194 110.015 108.800 0.036 0.000 2.440 117 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.218 117 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.218 117 G C 1.666 176.367 174.900 -0.331 0.000 1.154 117 G CA 1.080 46.032 45.100 -0.246 0.000 0.767 117 G HN 0.517 nan 8.290 nan 0.000 0.552 118 V N 1.068 120.743 119.914 -0.398 0.000 2.407 118 V HA -0.128 3.992 4.120 -0.000 0.000 0.248 118 V C 2.736 178.685 176.094 -0.240 0.000 1.055 118 V CA 1.345 63.359 62.300 -0.477 0.000 1.049 118 V CB -0.364 30.917 31.823 -0.904 0.000 0.662 118 V HN 0.396 nan 8.190 nan 0.000 0.455 119 I N -0.526 120.002 120.570 -0.070 0.000 2.315 119 I HA -0.232 3.938 4.170 -0.000 0.000 0.248 119 I C 2.347 178.424 176.117 -0.066 0.000 1.117 119 I CA 1.464 62.769 61.300 0.008 0.000 1.404 119 I CB -0.227 37.822 38.000 0.082 0.000 1.071 119 I HN 0.281 nan 8.210 nan 0.000 0.419 120 L N -0.063 121.083 121.223 -0.129 0.000 2.046 120 L HA -0.246 4.094 4.340 -0.000 0.000 0.208 120 L C 2.578 179.343 176.870 -0.175 0.000 1.077 120 L CA 1.076 55.817 54.840 -0.165 0.000 0.747 120 L CB -0.496 41.412 42.059 -0.253 0.000 0.896 120 L HN 0.292 nan 8.230 nan 0.000 0.432 121 L N -0.201 120.913 121.223 -0.183 0.000 2.017 121 L HA -0.211 4.129 4.340 -0.000 0.000 0.208 121 L C 2.323 179.139 176.870 -0.091 0.000 1.073 121 L CA 1.731 56.477 54.840 -0.156 0.000 0.745 121 L CB -0.449 41.533 42.059 -0.128 0.000 0.894 121 L HN 0.090 nan 8.230 nan 0.000 0.432 122 L N -1.023 120.157 121.223 -0.072 0.000 2.012 122 L HA -0.235 4.105 4.340 -0.000 0.000 0.210 122 L C 2.394 179.246 176.870 -0.031 0.000 1.073 122 L CA 1.925 56.748 54.840 -0.028 0.000 0.748 122 L CB -1.257 40.797 42.059 -0.009 0.000 0.891 122 L HN 0.313 nan 8.230 nan 0.000 0.431 123 T N 0.406 114.926 114.554 -0.056 0.000 2.684 123 T HA -0.215 4.135 4.350 -0.000 0.000 0.267 123 T C 1.828 176.467 174.700 -0.102 0.000 1.036 123 T CA 1.545 63.607 62.100 -0.063 0.000 1.148 123 T CB -0.350 68.476 68.868 -0.071 0.000 0.863 123 T HN 0.151 nan 8.240 nan 0.000 0.436 124 L N 0.865 121.974 121.223 -0.190 0.000 2.042 124 L HA -0.042 4.298 4.340 -0.000 0.000 0.210 124 L C 2.295 179.088 176.870 -0.128 0.000 1.076 124 L CA 1.775 56.406 54.840 -0.347 0.000 0.749 124 L CB -0.733 40.953 42.059 -0.622 0.000 0.893 124 L HN 0.265 nan 8.230 nan 0.000 0.432 125 M N -0.789 118.854 119.600 0.072 0.000 2.065 125 M HA -0.230 4.250 4.480 -0.000 0.000 0.259 125 M C 2.335 178.821 176.300 0.311 0.000 1.069 125 M CA 2.121 57.644 55.300 0.372 0.000 1.110 125 M CB -0.709 32.026 32.600 0.226 0.000 1.328 125 M HN 0.465 nan 8.290 nan 0.000 0.405 126 A N -0.069 122.830 122.820 0.131 0.000 1.883 126 A HA -0.185 4.135 4.320 -0.000 0.000 0.217 126 A C 2.184 179.869 177.584 0.169 0.000 1.186 126 A CA 2.428 54.536 52.037 0.120 0.000 0.624 126 A CB -1.326 17.694 19.000 0.034 0.000 0.822 126 A HN 0.509 nan 8.150 nan 0.000 0.444 127 T N 0.330 114.940 114.554 0.093 0.000 2.665 127 T HA -0.127 4.223 4.350 -0.000 0.000 0.268 127 T C 2.199 177.045 174.700 0.244 0.000 1.035 127 T CA 2.012 64.175 62.100 0.106 0.000 1.151 127 T CB -0.520 68.296 68.868 -0.087 0.000 0.862 127 T HN 0.641 nan 8.240 nan 0.000 0.438 128 A N 0.748 123.691 122.820 0.205 0.000 1.898 128 A HA 0.028 4.348 4.320 -0.000 0.000 0.216 128 A C 2.021 179.768 177.584 0.271 0.000 1.181 128 A CA 1.230 53.396 52.037 0.215 0.000 0.620 128 A CB -1.007 18.102 19.000 0.183 0.000 0.819 128 A HN 0.462 nan 8.150 nan 0.000 0.442 129 F N 1.246 121.354 119.950 0.264 0.000 2.091 129 F HA -0.258 4.269 4.527 -0.000 0.000 0.299 129 F C 2.348 178.237 175.800 0.149 0.000 1.103 129 F CA 2.450 60.606 58.000 0.260 0.000 1.228 129 F CB -0.205 38.913 39.000 0.196 0.000 0.984 129 F HN 0.143 nan 8.300 nan 0.000 0.477 130 V N -1.455 118.516 119.914 0.096 0.000 2.488 130 V HA 0.070 4.190 4.120 -0.000 0.000 0.246 130 V C 2.421 178.458 176.094 -0.096 0.000 1.046 130 V CA 1.657 63.902 62.300 -0.091 0.000 1.053 130 V CB -1.765 29.965 31.823 -0.155 0.000 0.679 130 V HN 0.345 nan 8.190 nan 0.000 0.458 131 G N -1.026 107.583 108.800 -0.318 0.000 2.418 131 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.217 131 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.217 131 G C 1.512 176.251 174.900 -0.269 0.000 1.158 131 G CA 1.190 45.728 45.100 -0.937 0.000 0.771 131 G HN 0.590 nan 8.290 nan 0.000 0.545 132 Y N 1.356 121.533 120.300 -0.206 0.000 2.207 132 Y HA -0.128 4.422 4.550 -0.000 0.000 0.287 132 Y C 2.831 178.690 175.900 -0.067 0.000 1.156 132 Y CA 1.140 59.166 58.100 -0.123 0.000 1.182 132 Y CB -0.268 38.110 38.460 -0.137 0.000 0.979 132 Y HN 0.054 nan 8.280 nan 0.000 0.521 133 V N 0.233 120.119 119.914 -0.047 0.000 2.515 133 V HA -0.318 3.802 4.120 -0.000 0.000 0.250 133 V C 2.460 178.658 176.094 0.173 0.000 1.058 133 V CA 1.644 63.980 62.300 0.061 0.000 1.064 133 V CB -0.823 31.189 31.823 0.315 0.000 0.675 133 V HN 0.416 nan 8.190 nan 0.000 0.461 134 L N 0.829 122.101 121.223 0.081 0.000 2.021 134 L HA -0.175 4.165 4.340 -0.000 0.000 0.215 134 L C 0.285 177.266 176.870 0.185 0.000 1.074 134 L CA 2.081 56.963 54.840 0.070 0.000 0.760 134 L CB -2.214 39.685 42.059 -0.268 0.000 0.889 134 L HN 0.392 nan 8.230 nan 0.000 0.433 135 P HA -0.264 nan 4.420 nan 0.000 0.228 135 P C 0.400 177.885 177.300 0.308 0.000 1.151 135 P CA 0.837 64.002 63.100 0.109 0.000 0.770 135 P CB -0.173 31.479 31.700 -0.081 0.000 0.786 136 W N 0.240 121.552 121.300 0.021 0.000 5.563 136 W HA -0.141 4.519 4.660 -0.000 0.000 0.396 136 W C -0.210 176.395 176.519 0.144 0.000 1.519 136 W CA 0.085 57.474 57.345 0.073 0.000 0.953 136 W CB -1.371 28.146 29.460 0.096 0.000 2.691 136 W HN -0.017 nan 8.180 nan 0.000 1.444 137 G N 0.633 109.474 108.800 0.068 0.000 2.531 137 G HA2 0.228 4.188 3.960 -0.000 0.000 0.313 137 G HA3 0.228 4.188 3.960 -0.000 0.000 0.313 137 G C 0.527 175.378 174.900 -0.082 0.000 1.238 137 G CA -0.042 45.099 45.100 0.069 0.000 0.994 137 G HN 0.183 nan 8.290 nan 0.000 0.493 138 Q N -1.044 118.762 119.800 0.010 0.000 2.077 138 Q HA -0.153 4.187 4.340 -0.000 0.000 0.206 138 Q C 2.463 178.606 176.000 0.238 0.000 0.989 138 Q CA 1.457 57.338 55.803 0.131 0.000 0.853 138 Q CB -0.264 28.569 28.738 0.158 0.000 0.907 138 Q HN 0.499 nan 8.270 nan 0.000 0.418 139 M N -0.079 119.611 119.600 0.150 0.000 2.319 139 M HA -0.027 4.453 4.480 -0.000 0.000 0.265 139 M C 1.987 178.328 176.300 0.068 0.000 1.068 139 M CA 1.001 56.411 55.300 0.183 0.000 1.118 139 M CB -0.149 32.592 32.600 0.233 0.000 1.395 139 M HN -0.027 nan 8.290 nan 0.000 0.435 140 S N -0.112 115.490 115.700 -0.163 0.000 2.353 140 S HA -0.155 4.315 4.470 -0.000 0.000 0.222 140 S C 1.716 176.190 174.600 -0.211 0.000 1.035 140 S CA 1.625 59.637 58.200 -0.314 0.000 1.025 140 S CB -0.683 62.348 63.200 -0.281 0.000 0.902 140 S HN 0.604 nan 8.310 nan 0.000 0.440 141 F N 0.787 120.437 119.950 -0.500 0.000 2.084 141 F HA -0.073 4.454 4.527 -0.000 0.000 0.296 141 F C 1.824 177.315 175.800 -0.515 0.000 1.111 141 F CA 1.255 58.804 58.000 -0.751 0.000 1.224 141 F CB -0.534 37.771 39.000 -1.159 0.000 0.991 141 F HN 0.218 nan 8.300 nan 0.000 0.471 142 W N 0.436 121.621 121.300 -0.193 0.000 2.402 142 W HA 0.047 4.707 4.660 -0.000 0.000 0.286 142 W C 2.647 179.079 176.519 -0.144 0.000 1.221 142 W CA 1.160 58.392 57.345 -0.188 0.000 1.257 142 W CB -1.099 28.361 29.460 0.001 0.000 1.120 142 W HN 0.137 nan 8.180 nan 0.000 0.551 143 G N 0.305 109.165 108.800 0.101 0.000 2.404 143 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.215 143 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.215 143 G C 1.689 176.654 174.900 0.109 0.000 1.174 143 G CA 1.415 46.580 45.100 0.108 0.000 0.780 143 G HN 0.277 nan 8.290 nan 0.000 0.537 144 A N 0.436 123.240 122.820 -0.027 0.000 1.892 144 A HA -0.097 4.223 4.320 -0.000 0.000 0.218 144 A C 2.543 180.175 177.584 0.079 0.000 1.188 144 A CA 2.712 54.799 52.037 0.085 0.000 0.631 144 A CB -1.157 17.815 19.000 -0.047 0.000 0.822 144 A HN 0.323 nan 8.150 nan 0.000 0.447 145 T N -0.526 113.869 114.554 -0.266 0.000 2.674 145 T HA -0.134 4.216 4.350 -0.000 0.000 0.265 145 T C 1.885 176.625 174.700 0.065 0.000 1.039 145 T CA 1.570 63.527 62.100 -0.238 0.000 1.150 145 T CB -0.626 67.880 68.868 -0.603 0.000 0.864 145 T HN 0.131 nan 8.240 nan 0.000 0.427 146 V N 1.796 121.772 119.914 0.104 0.000 2.252 146 V HA -0.166 3.954 4.120 -0.000 0.000 0.249 146 V C 2.473 178.615 176.094 0.080 0.000 1.056 146 V CA 1.495 63.877 62.300 0.138 0.000 1.022 146 V CB -0.522 31.391 31.823 0.151 0.000 0.641 146 V HN 0.440 nan 8.190 nan 0.000 0.445 147 I N 0.722 121.340 120.570 0.080 0.000 2.353 147 I HA -0.129 4.041 4.170 -0.000 0.000 0.248 147 I C 2.681 178.616 176.117 -0.303 0.000 1.119 147 I CA 2.124 63.382 61.300 -0.070 0.000 1.417 147 I CB -1.836 36.143 38.000 -0.034 0.000 1.078 147 I HN 0.549 nan 8.210 nan 0.000 0.421 148 T N -1.777 112.717 114.554 -0.100 0.000 2.995 148 T HA -0.058 4.292 4.350 -0.000 0.000 0.269 148 T C 1.682 176.177 174.700 -0.343 0.000 1.091 148 T CA 0.742 62.673 62.100 -0.280 0.000 1.128 148 T CB -0.362 68.645 68.868 0.231 0.000 0.891 148 T HN 0.136 nan 8.240 nan 0.000 0.492 149 N N 1.172 119.844 118.700 -0.046 0.000 2.381 149 N HA 0.095 4.835 4.740 -0.000 0.000 0.182 149 N C 1.749 177.183 175.510 -0.126 0.000 1.025 149 N CA 0.470 53.532 53.050 0.020 0.000 0.888 149 N CB -0.340 38.257 38.487 0.183 0.000 0.965 149 N HN 0.473 nan 8.380 nan 0.000 0.438 150 L N -0.542 120.526 121.223 -0.258 0.000 2.079 150 L HA -0.143 4.197 4.340 -0.000 0.000 0.210 150 L C 1.794 178.618 176.870 -0.076 0.000 1.081 150 L CA 1.044 55.771 54.840 -0.188 0.000 0.752 150 L CB -0.661 41.261 42.059 -0.227 0.000 0.896 150 L HN 0.150 nan 8.230 nan 0.000 0.433 151 F N 0.296 120.195 119.950 -0.086 0.000 2.408 151 F HA -0.199 4.328 4.527 0.000 0.000 0.300 151 F C 2.744 178.458 175.800 -0.143 0.000 1.090 151 F CA 0.612 58.546 58.000 -0.109 0.000 1.427 151 F CB -0.448 38.480 39.000 -0.120 0.000 1.070 151 F HN 0.240 nan 8.300 nan 0.000 0.549 152 S N 0.331 116.002 115.700 -0.048 0.000 2.507 152 S HA -0.025 4.445 4.470 -0.000 0.000 0.235 152 S C 1.818 176.317 174.600 -0.169 0.000 0.988 152 S CA 0.521 58.584 58.200 -0.229 0.000 0.944 152 S CB -0.314 62.663 63.200 -0.372 0.000 0.762 152 S HN 0.281 nan 8.310 nan 0.000 0.526 153 A N 1.112 123.903 122.820 -0.049 0.000 2.169 153 A HA 0.404 4.724 4.320 -0.000 0.000 0.212 153 A C 0.892 178.470 177.584 -0.010 0.000 1.153 153 A CA -0.062 51.964 52.037 -0.017 0.000 0.756 153 A CB -0.451 18.553 19.000 0.007 0.000 0.813 153 A HN 0.606 nan 8.150 nan 0.000 0.471 154 I N 1.765 122.333 120.570 -0.002 0.000 2.363 154 I HA 0.142 4.312 4.170 -0.000 0.000 0.292 154 I C -2.382 173.716 176.117 -0.031 0.000 1.075 154 I CA -1.915 59.369 61.300 -0.025 0.000 1.333 154 I CB 0.939 38.925 38.000 -0.024 0.000 1.415 154 I HN 0.022 nan 8.210 nan 0.000 0.502 155 P HA 0.035 nan 4.420 nan 0.000 0.267 155 P C -0.151 177.173 177.300 0.040 0.000 1.200 155 P CA 0.497 63.565 63.100 -0.053 0.000 0.772 155 P CB 0.329 31.890 31.700 -0.231 0.000 0.855 156 Y N -0.336 119.983 120.300 0.030 0.000 2.799 156 Y HA -0.348 4.202 4.550 -0.000 0.000 0.472 156 Y C 1.604 177.519 175.900 0.026 0.000 1.164 156 Y CA 0.573 58.689 58.100 0.027 0.000 2.709 156 Y CB -1.709 36.755 38.460 0.007 0.000 1.143 156 Y HN 0.330 nan 8.280 nan 0.000 0.607 157 I N 1.298 121.985 120.570 0.195 0.000 3.616 157 I HA 0.255 4.425 4.170 -0.000 0.000 0.306 157 I C 1.479 177.629 176.117 0.054 0.000 1.232 157 I CA 0.941 62.290 61.300 0.082 0.000 1.182 157 I CB -0.612 37.401 38.000 0.022 0.000 1.007 157 I HN 0.399 nan 8.210 nan 0.000 0.479 158 G N 1.235 110.079 108.800 0.073 0.000 2.662 158 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.215 158 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.215 158 G C 1.329 176.219 174.900 -0.017 0.000 1.310 158 G CA 0.435 45.537 45.100 0.004 0.000 0.849 158 G HN 0.508 nan 8.290 nan 0.000 0.568 159 H N 0.541 119.659 119.070 0.081 0.000 2.518 159 H HA -0.070 4.486 4.556 -0.000 0.000 0.294 159 H C 2.729 178.108 175.328 0.085 0.000 1.083 159 H CA 1.624 57.723 56.048 0.085 0.000 1.264 159 H CB -0.172 29.656 29.762 0.111 0.000 1.370 159 H HN 0.265 nan 8.280 nan 0.000 0.560 160 T N 1.187 115.842 114.554 0.169 0.000 2.706 160 T HA -0.095 4.255 4.350 -0.000 0.000 0.255 160 T C 2.199 176.973 174.700 0.123 0.000 1.048 160 T CA 0.751 62.930 62.100 0.133 0.000 1.153 160 T CB -0.499 68.415 68.868 0.078 0.000 0.865 160 T HN 0.158 nan 8.240 nan 0.000 0.414 161 L N 1.663 122.930 121.223 0.073 0.000 2.129 161 L HA -0.062 4.278 4.340 -0.000 0.000 0.212 161 L C 2.217 179.168 176.870 0.136 0.000 1.087 161 L CA 1.455 56.355 54.840 0.100 0.000 0.757 161 L CB -0.679 41.387 42.059 0.012 0.000 0.896 161 L HN 0.071 nan 8.230 nan 0.000 0.434 162 V N -0.358 119.555 119.914 -0.003 0.000 2.323 162 V HA -0.189 3.931 4.120 -0.000 0.000 0.244 162 V C 2.370 178.227 176.094 -0.395 0.000 1.041 162 V CA 1.877 63.997 62.300 -0.301 0.000 1.025 162 V CB -0.554 30.982 31.823 -0.477 0.000 0.656 162 V HN 0.475 nan 8.190 nan 0.000 0.451 163 E N -1.443 118.719 120.200 -0.064 0.000 2.478 163 E HA -0.219 4.131 4.350 -0.000 0.000 0.198 163 E C 1.796 178.486 176.600 0.149 0.000 1.046 163 E CA 0.891 57.368 56.400 0.128 0.000 0.870 163 E CB -0.057 29.778 29.700 0.226 0.000 0.818 163 E HN 0.789 nan 8.360 nan 0.000 0.527 164 W N 0.957 122.247 121.300 -0.018 0.000 2.525 164 W HA 0.130 4.790 4.660 -0.000 0.000 0.288 164 W C 2.258 178.799 176.519 0.037 0.000 1.200 164 W CA 1.202 58.553 57.345 0.010 0.000 1.349 164 W CB -0.220 29.242 29.460 0.004 0.000 1.102 164 W HN -0.047 nan 8.180 nan 0.000 0.558 165 A N -0.492 122.327 122.820 -0.001 0.000 1.969 165 A HA -0.138 4.182 4.320 -0.000 0.000 0.218 165 A C 1.690 179.298 177.584 0.040 0.000 1.169 165 A CA 1.408 53.411 52.037 -0.058 0.000 0.635 165 A CB -1.292 17.758 19.000 0.082 0.000 0.810 165 A HN 0.467 nan 8.150 nan 0.000 0.445 166 W N -1.272 120.016 121.300 -0.020 0.000 2.576 166 W HA 0.275 4.935 4.660 -0.000 0.000 0.270 166 W C 1.684 178.114 176.519 -0.148 0.000 1.255 166 W CA 0.846 58.143 57.345 -0.080 0.000 1.314 166 W CB -0.951 28.488 29.460 -0.035 0.000 1.101 166 W HN 0.620 nan 8.180 nan 0.000 0.595 167 G N 0.348 109.181 108.800 0.055 0.000 2.137 167 G HA2 0.039 3.999 3.960 -0.000 0.000 0.237 167 G HA3 0.039 3.999 3.960 -0.000 0.000 0.237 167 G C 0.441 175.286 174.900 -0.092 0.000 1.002 167 G CA 0.379 45.436 45.100 -0.071 0.000 0.702 167 G HN 0.693 nan 8.290 nan 0.000 0.515 168 G N -1.742 107.009 108.800 -0.082 0.000 2.498 168 G HA2 0.516 4.476 3.960 -0.000 0.000 0.181 168 G HA3 0.516 4.476 3.960 -0.000 0.000 0.181 168 G C 0.095 174.795 174.900 -0.334 0.000 1.169 168 G CA 0.217 45.097 45.100 -0.368 0.000 0.992 168 G HN 0.459 nan 8.290 nan 0.000 0.490 169 F N 1.771 121.842 119.950 0.201 0.000 2.704 169 F HA 0.483 5.010 4.527 -0.000 0.000 0.304 169 F C 1.230 177.032 175.800 0.004 0.000 1.094 169 F CA 0.475 58.617 58.000 0.237 0.000 1.275 169 F CB 1.082 40.164 39.000 0.137 0.000 1.073 169 F HN 0.531 nan 8.300 nan 0.000 0.586 170 S N -1.432 114.144 115.700 -0.207 0.000 2.615 170 S HA 0.478 4.948 4.470 -0.000 0.000 0.269 170 S C -0.952 173.104 174.600 -0.908 0.000 1.161 170 S CA -1.042 56.662 58.200 -0.826 0.000 0.817 170 S CB 1.424 64.436 63.200 -0.313 0.000 1.131 170 S HN -0.245 nan 8.310 nan 0.000 0.467 171 V N 2.421 121.714 119.914 -1.036 0.000 2.409 171 V HA 0.310 4.430 4.120 -0.000 0.000 0.270 171 V C 0.065 176.158 176.094 -0.002 0.000 1.019 171 V CA 0.879 62.846 62.300 -0.557 0.000 1.066 171 V CB -0.321 31.170 31.823 -0.553 0.000 1.021 171 V HN 0.888 nan 8.190 nan 0.000 0.476 172 D N 3.147 123.530 120.400 -0.028 0.000 2.837 172 D HA 0.201 4.841 4.640 -0.000 0.000 0.294 172 D C 1.044 177.280 176.300 -0.107 0.000 1.158 172 D CA -0.718 53.305 54.000 0.038 0.000 1.073 172 D CB 1.340 42.129 40.800 -0.019 0.000 1.419 172 D HN 0.236 nan 8.370 nan 0.000 0.584 173 N N 0.110 118.717 118.700 -0.155 0.000 2.091 173 N HA -0.092 4.648 4.740 -0.000 0.000 0.193 173 N C -1.269 174.127 175.510 -0.189 0.000 1.021 173 N CA 2.183 55.089 53.050 -0.240 0.000 0.862 173 N CB -0.448 37.928 38.487 -0.184 0.000 1.018 173 N HN 0.255 nan 8.380 nan 0.000 0.429 174 P HA -0.085 nan 4.420 nan 0.000 0.221 174 P C 0.595 177.825 177.300 -0.116 0.000 1.145 174 P CA 1.339 64.377 63.100 -0.103 0.000 0.795 174 P CB -0.024 31.626 31.700 -0.083 0.000 0.775 175 T N 0.109 114.562 114.554 -0.168 0.000 2.894 175 T HA -0.035 4.315 4.350 -0.000 0.000 0.258 175 T C 1.812 176.279 174.700 -0.389 0.000 1.043 175 T CA 0.404 62.329 62.100 -0.292 0.000 1.141 175 T CB -0.853 67.827 68.868 -0.314 0.000 0.873 175 T HN -0.010 nan 8.240 nan 0.000 0.449 176 L N 2.336 123.363 121.223 -0.326 0.000 1.989 176 L HA -0.150 4.190 4.340 -0.000 0.000 0.211 176 L C 2.704 179.567 176.870 -0.011 0.000 1.071 176 L CA 2.423 57.109 54.840 -0.256 0.000 0.749 176 L CB -1.410 40.325 42.059 -0.540 0.000 0.890 176 L HN 0.448 nan 8.230 nan 0.000 0.431 177 T N -1.418 113.118 114.554 -0.030 0.000 2.720 177 T HA -0.274 4.076 4.350 -0.000 0.000 0.268 177 T C 1.893 176.711 174.700 0.196 0.000 1.037 177 T CA 1.487 63.649 62.100 0.103 0.000 1.144 177 T CB -0.780 68.108 68.868 0.033 0.000 0.864 177 T HN 0.624 nan 8.240 nan 0.000 0.444 178 R N -0.195 120.388 120.500 0.140 0.000 2.148 178 R HA 0.063 4.403 4.340 -0.000 0.000 0.223 178 R C 1.920 178.464 176.300 0.407 0.000 1.088 178 R CA 0.890 57.112 56.100 0.204 0.000 0.985 178 R CB -0.726 29.652 30.300 0.131 0.000 0.880 178 R HN 0.292 nan 8.270 nan 0.000 0.451 179 F N 1.032 121.082 119.950 0.168 0.000 2.206 179 F HA 0.016 4.543 4.527 -0.000 0.000 0.298 179 F C 2.094 178.068 175.800 0.289 0.000 1.090 179 F CA -0.032 58.095 58.000 0.212 0.000 1.323 179 F CB -0.865 38.256 39.000 0.201 0.000 1.028 179 F HN -0.060 nan 8.300 nan 0.000 0.492 180 F N 0.484 120.640 119.950 0.343 0.000 2.095 180 F HA -0.186 4.341 4.527 0.000 0.000 0.298 180 F C 2.348 178.336 175.800 0.314 0.000 1.104 180 F CA 1.427 59.607 58.000 0.301 0.000 1.232 180 F CB -0.214 38.967 39.000 0.301 0.000 0.987 180 F HN -0.070 nan 8.300 nan 0.000 0.475 181 A N 0.955 123.858 122.820 0.139 0.000 1.883 181 A HA -0.195 4.125 4.320 -0.000 0.000 0.217 181 A C 2.229 179.848 177.584 0.057 0.000 1.186 181 A CA 1.833 53.856 52.037 -0.023 0.000 0.624 181 A CB -1.258 17.763 19.000 0.034 0.000 0.822 181 A HN 0.531 nan 8.150 nan 0.000 0.444 182 L N -1.657 119.648 121.223 0.138 0.000 2.046 182 L HA -0.227 4.113 4.340 -0.000 0.000 0.208 182 L C 2.674 179.621 176.870 0.128 0.000 1.077 182 L CA 1.900 56.811 54.840 0.119 0.000 0.747 182 L CB -0.519 41.601 42.059 0.101 0.000 0.896 182 L HN 0.653 nan 8.230 nan 0.000 0.432 183 H N -1.000 118.116 119.070 0.076 0.000 2.423 183 H HA -0.219 4.337 4.556 -0.000 0.000 0.297 183 H C 1.893 177.237 175.328 0.027 0.000 1.075 183 H CA 1.544 57.625 56.048 0.055 0.000 1.342 183 H CB -0.062 29.769 29.762 0.116 0.000 1.395 183 H HN 0.292 nan 8.280 nan 0.000 0.530 184 F N -0.936 118.906 119.950 -0.180 0.000 2.187 184 F HA -0.076 4.451 4.527 -0.000 0.000 0.295 184 F C 2.082 177.872 175.800 -0.017 0.000 1.091 184 F CA 0.482 58.365 58.000 -0.194 0.000 1.308 184 F CB 0.042 38.855 39.000 -0.311 0.000 1.030 184 F HN 0.267 nan 8.300 nan 0.000 0.487 185 L N 0.602 121.999 121.223 0.290 0.000 2.007 185 L HA -0.132 4.208 4.340 -0.000 0.000 0.205 185 L C 2.038 179.016 176.870 0.181 0.000 1.073 185 L CA 1.737 56.754 54.840 0.295 0.000 0.744 185 L CB -1.083 41.065 42.059 0.148 0.000 0.898 185 L HN 0.151 nan 8.230 nan 0.000 0.435 186 L N -0.163 121.081 121.223 0.034 0.000 2.064 186 L HA -0.239 4.101 4.340 -0.000 0.000 0.216 186 L C -0.090 176.702 176.870 -0.130 0.000 1.077 186 L CA 1.712 56.531 54.840 -0.034 0.000 0.766 186 L CB -2.203 39.827 42.059 -0.049 0.000 0.890 186 L HN 0.268 nan 8.230 nan 0.000 0.435 187 P HA -0.193 nan 4.420 nan 0.000 0.216 187 P C 1.512 178.583 177.300 -0.383 0.000 1.150 187 P CA 1.586 64.432 63.100 -0.423 0.000 0.843 187 P CB -0.049 31.258 31.700 -0.655 0.000 0.787 188 F N -0.432 119.498 119.950 -0.033 0.000 2.146 188 F HA -0.122 4.405 4.527 -0.000 0.000 0.298 188 F C 2.455 178.248 175.800 -0.011 0.000 1.096 188 F CA 0.999 58.993 58.000 -0.010 0.000 1.275 188 F CB -1.221 37.788 39.000 0.014 0.000 1.008 188 F HN -0.123 nan 8.300 nan 0.000 0.480 189 A N 0.659 123.556 122.820 0.129 0.000 1.933 189 A HA -0.151 4.169 4.320 -0.000 0.000 0.218 189 A C 2.204 179.802 177.584 0.023 0.000 1.175 189 A CA 1.542 53.621 52.037 0.070 0.000 0.628 189 A CB -1.057 17.971 19.000 0.046 0.000 0.814 189 A HN 0.401 nan 8.150 nan 0.000 0.444 190 I N -0.274 120.280 120.570 -0.027 0.000 2.099 190 I HA -0.322 3.848 4.170 -0.000 0.000 0.239 190 I C 3.039 179.145 176.117 -0.019 0.000 1.066 190 I CA 1.232 62.502 61.300 -0.050 0.000 1.324 190 I CB -0.537 37.401 38.000 -0.103 0.000 1.037 190 I HN 0.368 nan 8.210 nan 0.000 0.401 191 A N 1.047 123.862 122.820 -0.008 0.000 1.917 191 A HA -0.191 4.129 4.320 -0.000 0.000 0.219 191 A C 2.411 180.017 177.584 0.036 0.000 1.182 191 A CA 2.200 54.248 52.037 0.019 0.000 0.633 191 A CB -1.552 17.477 19.000 0.048 0.000 0.819 191 A HN 0.509 nan 8.150 nan 0.000 0.448 192 G N 0.056 108.889 108.800 0.054 0.000 2.480 192 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.216 192 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.216 192 G C 1.512 176.434 174.900 0.038 0.000 1.200 192 G CA 1.140 46.269 45.100 0.048 0.000 0.782 192 G HN 0.487 nan 8.290 nan 0.000 0.554 193 I N 1.046 121.638 120.570 0.036 0.000 2.335 193 I HA -0.188 3.982 4.170 -0.000 0.000 0.251 193 I C 2.888 179.038 176.117 0.056 0.000 1.129 193 I CA 1.422 62.750 61.300 0.046 0.000 1.402 193 I CB -0.592 37.425 38.000 0.029 0.000 1.069 193 I HN 0.124 nan 8.210 nan 0.000 0.424 194 T N 1.435 116.004 114.554 0.026 0.000 2.788 194 T HA -0.103 4.247 4.350 -0.000 0.000 0.268 194 T C 1.957 176.699 174.700 0.069 0.000 1.044 194 T CA 1.064 63.187 62.100 0.039 0.000 1.139 194 T CB -0.092 68.777 68.868 0.001 0.000 0.867 194 T HN 0.176 nan 8.240 nan 0.000 0.454 195 I N 1.276 121.865 120.570 0.031 0.000 2.286 195 I HA -0.114 4.056 4.170 -0.000 0.000 0.248 195 I C 2.263 178.373 176.117 -0.011 0.000 1.115 195 I CA 1.141 62.440 61.300 -0.003 0.000 1.392 195 I CB -1.118 36.875 38.000 -0.011 0.000 1.065 195 I HN 0.237 nan 8.210 nan 0.000 0.418 196 I N 0.309 120.899 120.570 0.033 0.000 2.252 196 I HA -0.277 3.893 4.170 -0.000 0.000 0.245 196 I C 2.633 178.846 176.117 0.160 0.000 1.102 196 I CA 1.479 62.802 61.300 0.039 0.000 1.385 196 I CB -1.718 36.355 38.000 0.121 0.000 1.064 196 I HN 0.271 nan 8.210 nan 0.000 0.414 197 H N 1.652 120.783 119.070 0.102 0.000 2.265 197 H HA -0.164 4.392 4.556 -0.000 0.000 0.295 197 H C 2.211 177.577 175.328 0.063 0.000 1.084 197 H CA 1.986 58.111 56.048 0.129 0.000 1.261 197 H CB -0.369 29.434 29.762 0.068 0.000 1.360 197 H HN 0.201 nan 8.280 nan 0.000 0.487 198 L N -0.759 120.461 121.223 -0.004 0.000 2.265 198 L HA -0.149 4.191 4.340 -0.000 0.000 0.215 198 L C 2.396 179.003 176.870 -0.439 0.000 1.117 198 L CA 1.398 56.080 54.840 -0.263 0.000 0.782 198 L CB -0.406 41.489 42.059 -0.274 0.000 0.914 198 L HN 0.371 nan 8.230 nan 0.000 0.441 199 T N -0.512 113.888 114.554 -0.256 0.000 2.770 199 T HA -0.102 4.248 4.350 -0.000 0.000 0.263 199 T C 1.615 176.193 174.700 -0.204 0.000 1.039 199 T CA 1.202 63.138 62.100 -0.272 0.000 1.142 199 T CB -0.205 68.490 68.868 -0.288 0.000 0.868 199 T HN 0.074 nan 8.240 nan 0.000 0.435 200 F N 1.123 121.006 119.950 -0.112 0.000 2.102 200 F HA -0.005 4.522 4.527 -0.000 0.000 0.298 200 F C 2.127 177.839 175.800 -0.147 0.000 1.105 200 F CA 0.490 58.435 58.000 -0.092 0.000 1.239 200 F CB -0.933 38.032 39.000 -0.058 0.000 0.991 200 F HN 0.056 nan 8.300 nan 0.000 0.474 201 L N 0.155 121.378 121.223 -0.000 0.000 1.997 201 L HA -0.298 4.042 4.340 -0.000 0.000 0.216 201 L C 2.260 179.121 176.870 -0.015 0.000 1.074 201 L CA 2.152 56.934 54.840 -0.097 0.000 0.763 201 L CB -1.193 40.797 42.059 -0.116 0.000 0.890 201 L HN 0.287 nan 8.230 nan 0.000 0.434 202 H N -1.188 117.832 119.070 -0.083 0.000 2.541 202 H HA -0.101 4.455 4.556 -0.000 0.000 0.289 202 H C 1.787 177.067 175.328 -0.081 0.000 1.054 202 H CA 0.411 56.412 56.048 -0.078 0.000 1.250 202 H CB 0.271 29.994 29.762 -0.065 0.000 1.369 202 H HN 0.484 nan 8.280 nan 0.000 0.578 203 E N 0.420 120.641 120.200 0.035 0.000 2.051 203 E HA -0.124 4.226 4.350 -0.000 0.000 0.192 203 E C 2.451 179.024 176.600 -0.046 0.000 0.991 203 E CA 1.491 57.891 56.400 -0.000 0.000 0.799 203 E CB -0.002 29.712 29.700 0.023 0.000 0.748 203 E HN 0.529 nan 8.360 nan 0.000 0.449 204 S N -0.948 114.663 115.700 -0.147 0.000 2.468 204 S HA 0.311 4.781 4.470 -0.000 0.000 0.226 204 S C 1.128 175.651 174.600 -0.128 0.000 1.051 204 S CA 0.523 58.603 58.200 -0.198 0.000 0.943 204 S CB 0.572 63.444 63.200 -0.547 0.000 0.810 204 S HN 0.386 nan 8.310 nan 0.000 0.509 205 G N 0.650 109.376 108.800 -0.124 0.000 2.661 205 G HA2 -0.012 3.948 3.960 -0.000 0.000 0.685 205 G HA3 -0.012 3.948 3.960 -0.000 0.000 0.685 205 G C -0.537 174.379 174.900 0.026 0.000 1.298 205 G CA -0.502 44.583 45.100 -0.025 0.000 0.855 205 G HN 0.581 nan 8.290 nan 0.000 0.560 206 S N -0.258 115.505 115.700 0.104 0.000 2.585 206 S HA 0.388 4.858 4.470 -0.000 0.000 0.273 206 S C 0.903 175.660 174.600 0.261 0.000 1.339 206 S CA -0.021 58.317 58.200 0.230 0.000 1.028 206 S CB 1.028 64.322 63.200 0.157 0.000 0.906 206 S HN 0.795 nan 8.310 nan 0.000 0.528 207 N N 0.768 119.717 118.700 0.415 0.000 2.434 207 N HA 0.281 5.021 4.740 -0.000 0.000 0.266 207 N C -0.605 174.909 175.510 0.007 0.000 1.223 207 N CA -0.539 52.654 53.050 0.239 0.000 0.972 207 N CB 0.503 39.101 38.487 0.185 0.000 1.207 207 N HN 0.796 nan 8.380 nan 0.000 0.525 208 N N -0.698 117.921 118.700 -0.136 0.000 2.357 208 N HA 0.420 5.160 4.740 -0.000 0.000 0.284 208 N C -2.393 172.929 175.510 -0.313 0.000 1.236 208 N CA -1.329 51.429 53.050 -0.487 0.000 0.774 208 N CB 2.151 40.432 38.487 -0.343 0.000 1.534 208 N HN 0.211 nan 8.380 nan 0.000 0.478 209 P HA -0.178 nan 4.420 nan 0.000 0.218 209 P C 0.770 178.140 177.300 0.117 0.000 1.146 209 P CA 1.256 64.330 63.100 -0.044 0.000 0.813 209 P CB 0.253 31.944 31.700 -0.015 0.000 0.778 210 L N -1.916 119.301 121.223 -0.009 0.000 2.558 210 L HA 0.219 4.559 4.340 -0.000 0.000 0.225 210 L C 1.581 178.432 176.870 -0.032 0.000 1.128 210 L CA 0.633 55.451 54.840 -0.036 0.000 0.868 210 L CB -1.057 41.046 42.059 0.073 0.000 1.006 210 L HN 0.073 nan 8.230 nan 0.000 0.454 211 G N 2.130 110.921 108.800 -0.016 0.000 2.225 211 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.267 211 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.267 211 G C 0.179 175.074 174.900 -0.008 0.000 1.024 211 G CA 0.805 45.888 45.100 -0.029 0.000 0.784 211 G HN 0.533 nan 8.290 nan 0.000 0.507 212 I N -3.251 117.327 120.570 0.013 0.000 2.689 212 I HA 0.783 4.953 4.170 -0.000 0.000 0.299 212 I C 0.500 176.625 176.117 0.014 0.000 1.059 212 I CA -0.969 60.347 61.300 0.027 0.000 1.055 212 I CB 2.028 40.067 38.000 0.064 0.000 1.243 212 I HN 0.109 nan 8.210 nan 0.000 0.425 213 S N 2.777 118.486 115.700 0.016 0.000 2.784 213 S HA -0.031 4.439 4.470 -0.000 0.000 0.322 213 S C 1.012 175.618 174.600 0.010 0.000 1.234 213 S CA 0.388 58.598 58.200 0.017 0.000 1.064 213 S CB -0.065 63.147 63.200 0.019 0.000 0.787 213 S HN 0.859 nan 8.310 nan 0.000 0.506 214 S N 2.946 118.649 115.700 0.004 0.000 2.583 214 S HA 0.201 4.671 4.470 -0.000 0.000 0.239 214 S C 0.488 175.088 174.600 0.001 0.000 0.966 214 S CA -0.520 57.675 58.200 -0.007 0.000 0.973 214 S CB 0.261 63.443 63.200 -0.030 0.000 0.794 214 S HN 0.706 nan 8.310 nan 0.000 0.463 215 D N 2.792 123.197 120.400 0.009 0.000 2.264 215 D HA -0.060 4.580 4.640 -0.000 0.000 0.208 215 D C 1.921 178.226 176.300 0.009 0.000 0.966 215 D CA 1.283 55.289 54.000 0.011 0.000 0.864 215 D CB -0.251 40.558 40.800 0.014 0.000 0.933 215 D HN 0.618 nan 8.370 nan 0.000 0.499 216 S N -0.582 115.121 115.700 0.006 0.000 2.474 216 S HA -0.088 4.382 4.470 -0.000 0.000 0.235 216 S C 0.598 175.197 174.600 -0.001 0.000 0.997 216 S CA 0.372 58.575 58.200 0.004 0.000 0.949 216 S CB 0.341 63.543 63.200 0.004 0.000 0.766 216 S HN 0.027 nan 8.310 nan 0.000 0.517 217 D N 0.824 121.222 120.400 -0.004 0.000 2.411 217 D HA 0.334 4.974 4.640 -0.000 0.000 0.239 217 D C -1.256 175.039 176.300 -0.009 0.000 1.307 217 D CA -0.211 53.782 54.000 -0.012 0.000 0.930 217 D CB 0.503 41.289 40.800 -0.025 0.000 1.395 217 D HN 0.089 nan 8.370 nan 0.000 0.536 218 K N 2.266 122.671 120.400 0.009 0.000 2.259 218 K HA 0.647 4.967 4.320 -0.000 0.000 0.252 218 K C -0.003 176.631 176.600 0.057 0.000 0.936 218 K CA -0.968 55.338 56.287 0.032 0.000 0.810 218 K CB 2.442 34.965 32.500 0.038 0.000 1.143 218 K HN 0.411 nan 8.250 nan 0.000 0.427 219 I N -0.841 119.791 120.570 0.103 0.000 2.740 219 I HA 0.536 4.706 4.170 -0.000 0.000 0.303 219 I C -2.576 173.703 176.117 0.271 0.000 1.044 219 I CA -2.977 58.427 61.300 0.174 0.000 1.064 219 I CB 2.087 40.135 38.000 0.080 0.000 1.249 219 I HN 0.345 nan 8.210 nan 0.000 0.433 220 P HA -0.002 nan 4.420 nan 0.000 0.271 220 P C 0.463 177.961 177.300 0.329 0.000 1.220 220 P CA 0.060 63.309 63.100 0.248 0.000 0.768 220 P CB 0.831 32.624 31.700 0.155 0.000 0.848 221 F N 3.425 123.524 119.950 0.248 0.000 2.085 221 F HA -0.224 4.303 4.527 -0.000 0.000 0.299 221 F C 1.257 177.226 175.800 0.280 0.000 1.096 221 F CA 1.749 59.950 58.000 0.335 0.000 1.227 221 F CB -0.516 38.620 39.000 0.226 0.000 0.983 221 F HN 0.447 nan 8.300 nan 0.000 0.482 222 H N 0.998 120.209 119.070 0.234 0.000 2.458 222 H HA 0.288 4.844 4.556 -0.000 0.000 0.330 222 H C -1.935 173.329 175.328 -0.106 0.000 1.111 222 H CA -2.457 53.634 56.048 0.072 0.000 1.245 222 H CB 1.544 31.407 29.762 0.168 0.000 1.456 222 H HN -0.132 nan 8.280 nan 0.000 0.488 223 P HA -0.035 nan 4.420 nan 0.000 0.257 223 P C 0.598 177.670 177.300 -0.379 0.000 1.241 223 P CA 0.508 63.130 63.100 -0.796 0.000 0.816 223 P CB 0.308 31.471 31.700 -0.896 0.000 1.150 224 Y N 0.033 120.119 120.300 -0.356 0.000 2.014 224 Y HA -0.255 4.295 4.550 -0.000 0.000 0.272 224 Y C 2.436 177.945 175.900 -0.653 0.000 1.164 224 Y CA 1.586 59.362 58.100 -0.539 0.000 1.114 224 Y CB -1.351 36.698 38.460 -0.685 0.000 0.961 224 Y HN -0.099 nan 8.280 nan 0.000 0.489 225 Y N -0.528 119.611 120.300 -0.268 0.000 2.475 225 Y HA -0.153 4.397 4.550 -0.000 0.000 0.289 225 Y C 2.677 178.218 175.900 -0.598 0.000 1.121 225 Y CA 0.571 58.356 58.100 -0.526 0.000 1.257 225 Y CB -0.274 37.699 38.460 -0.812 0.000 1.026 225 Y HN 0.153 nan 8.280 nan 0.000 0.555 226 S N -0.314 115.103 115.700 -0.471 0.000 2.368 226 S HA -0.203 4.267 4.470 -0.000 0.000 0.225 226 S C 1.725 176.273 174.600 -0.087 0.000 1.030 226 S CA 1.109 59.242 58.200 -0.112 0.000 0.999 226 S CB -1.042 62.261 63.200 0.170 0.000 0.844 226 S HN 0.371 nan 8.310 nan 0.000 0.459 227 F N 2.054 121.928 119.950 -0.127 0.000 2.163 227 F HA 0.192 4.719 4.527 -0.000 0.000 0.297 227 F C 2.669 178.427 175.800 -0.071 0.000 1.094 227 F CA 1.147 59.095 58.000 -0.087 0.000 1.290 227 F CB -0.207 38.719 39.000 -0.124 0.000 1.017 227 F HN 0.131 nan 8.300 nan 0.000 0.483 228 K N 0.395 120.851 120.400 0.093 0.000 2.097 228 K HA -0.201 4.119 4.320 -0.000 0.000 0.206 228 K C 1.399 178.032 176.600 0.056 0.000 1.049 228 K CA 1.985 58.306 56.287 0.057 0.000 0.933 228 K CB -0.168 32.363 32.500 0.053 0.000 0.717 228 K HN 0.135 nan 8.250 nan 0.000 0.442 229 D N 0.646 121.083 120.400 0.062 0.000 2.123 229 D HA -0.094 4.546 4.640 -0.000 0.000 0.200 229 D C 1.884 178.198 176.300 0.024 0.000 0.976 229 D CA 0.874 54.908 54.000 0.058 0.000 0.831 229 D CB -0.088 40.785 40.800 0.123 0.000 0.974 229 D HN 0.231 nan 8.370 nan 0.000 0.469 230 I N 0.381 120.951 120.570 0.001 0.000 2.208 230 I HA -0.245 3.925 4.170 -0.000 0.000 0.245 230 I C 2.236 178.351 176.117 -0.003 0.000 1.097 230 I CA 0.537 61.822 61.300 -0.025 0.000 1.363 230 I CB -0.046 37.896 38.000 -0.096 0.000 1.051 230 I HN 0.032 nan 8.210 nan 0.000 0.413 231 L N 1.011 122.242 121.223 0.013 0.000 2.017 231 L HA -0.080 4.260 4.340 -0.000 0.000 0.208 231 L C 2.358 179.234 176.870 0.011 0.000 1.073 231 L CA 2.259 57.113 54.840 0.022 0.000 0.745 231 L CB -1.248 40.833 42.059 0.035 0.000 0.894 231 L HN 0.177 nan 8.230 nan 0.000 0.432 232 G N -0.518 108.278 108.800 -0.006 0.000 2.450 232 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.220 232 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.220 232 G C 1.581 176.481 174.900 0.001 0.000 1.130 232 G CA 1.003 46.079 45.100 -0.039 0.000 0.760 232 G HN 0.426 nan 8.290 nan 0.000 0.557 233 L N 1.525 122.761 121.223 0.022 0.000 2.005 233 L HA -0.031 4.309 4.340 -0.000 0.000 0.207 233 L C 3.204 180.116 176.870 0.070 0.000 1.072 233 L CA 2.869 57.741 54.840 0.054 0.000 0.744 233 L CB -1.063 41.010 42.059 0.024 0.000 0.895 233 L HN 0.331 nan 8.230 nan 0.000 0.433 234 T N -2.596 111.985 114.554 0.045 0.000 2.833 234 T HA -0.196 4.154 4.350 -0.000 0.000 0.269 234 T C 2.035 176.781 174.700 0.077 0.000 1.054 234 T CA 1.653 63.784 62.100 0.052 0.000 1.135 234 T CB -0.837 68.052 68.868 0.035 0.000 0.869 234 T HN 0.381 nan 8.240 nan 0.000 0.466 235 L N -0.576 120.690 121.223 0.072 0.000 2.093 235 L HA 0.008 4.348 4.340 -0.000 0.000 0.208 235 L C 2.996 179.948 176.870 0.137 0.000 1.085 235 L CA 1.053 55.941 54.840 0.081 0.000 0.755 235 L CB -0.493 41.593 42.059 0.045 0.000 0.904 235 L HN 0.262 nan 8.230 nan 0.000 0.435 236 M N -1.199 118.515 119.600 0.191 0.000 2.287 236 M HA -0.092 4.388 4.480 -0.000 0.000 0.266 236 M C 2.251 178.809 176.300 0.431 0.000 1.079 236 M CA 1.189 56.697 55.300 0.346 0.000 1.146 236 M CB -0.871 32.002 32.600 0.456 0.000 1.374 236 M HN 0.167 nan 8.290 nan 0.000 0.435 237 L N 0.587 121.974 121.223 0.273 0.000 2.129 237 L HA -0.179 4.161 4.340 -0.000 0.000 0.212 237 L C 2.220 179.218 176.870 0.214 0.000 1.087 237 L CA 1.759 56.715 54.840 0.194 0.000 0.757 237 L CB -0.968 41.144 42.059 0.088 0.000 0.896 237 L HN 0.302 nan 8.230 nan 0.000 0.434 238 T N -0.213 114.449 114.554 0.181 0.000 2.701 238 T HA -0.091 4.259 4.350 -0.000 0.000 0.263 238 T C -0.319 174.494 174.700 0.188 0.000 1.040 238 T CA 1.716 63.906 62.100 0.150 0.000 1.147 238 T CB -1.004 67.938 68.868 0.123 0.000 0.865 238 T HN 0.251 nan 8.240 nan 0.000 0.426 239 P HA -0.049 nan 4.420 nan 0.000 0.215 239 P C 1.302 178.790 177.300 0.314 0.000 1.153 239 P CA 0.836 64.083 63.100 0.244 0.000 0.853 239 P CB -0.172 31.673 31.700 0.242 0.000 0.788 240 F N 0.430 120.499 119.950 0.199 0.000 2.015 240 F HA -0.281 4.246 4.527 -0.000 0.000 0.297 240 F C 1.969 177.827 175.800 0.096 0.000 1.141 240 F CA 1.456 59.558 58.000 0.170 0.000 1.192 240 F CB -0.709 38.323 39.000 0.053 0.000 0.957 240 F HN -0.265 nan 8.300 nan 0.000 0.491 241 L N -0.086 121.029 121.223 -0.179 0.000 2.081 241 L HA -0.264 4.076 4.340 -0.000 0.000 0.212 241 L C 2.361 179.148 176.870 -0.138 0.000 1.080 241 L CA 1.854 56.498 54.840 -0.327 0.000 0.754 241 L CB -1.353 40.582 42.059 -0.206 0.000 0.893 241 L HN 0.300 nan 8.230 nan 0.000 0.433 242 T N 0.294 114.873 114.554 0.042 0.000 2.788 242 T HA -0.187 4.163 4.350 -0.000 0.000 0.268 242 T C 1.799 176.623 174.700 0.207 0.000 1.044 242 T CA 1.455 63.673 62.100 0.197 0.000 1.139 242 T CB -0.175 68.851 68.868 0.263 0.000 0.867 242 T HN 0.153 nan 8.240 nan 0.000 0.454 243 L N 1.306 122.623 121.223 0.157 0.000 2.023 243 L HA 0.264 4.604 4.340 -0.000 0.000 0.205 243 L C 2.508 179.442 176.870 0.106 0.000 1.073 243 L CA 1.824 56.767 54.840 0.170 0.000 0.745 243 L CB -0.947 41.244 42.059 0.221 0.000 0.900 243 L HN 0.177 nan 8.230 nan 0.000 0.435 244 A N -1.199 121.623 122.820 0.003 0.000 2.216 244 A HA -0.023 4.297 4.320 -0.000 0.000 0.214 244 A C 2.087 179.642 177.584 -0.048 0.000 1.160 244 A CA 1.493 53.504 52.037 -0.044 0.000 0.725 244 A CB -0.567 18.280 19.000 -0.254 0.000 0.784 244 A HN 0.533 nan 8.150 nan 0.000 0.472 245 L N -3.479 117.672 121.223 -0.121 0.000 2.577 245 L HA 0.237 4.577 4.340 -0.000 0.000 0.225 245 L C 1.831 178.531 176.870 -0.284 0.000 1.053 245 L CA 0.442 55.142 54.840 -0.234 0.000 0.866 245 L CB 0.045 41.826 42.059 -0.463 0.000 1.132 245 L HN 0.451 nan 8.230 nan 0.000 0.486 246 F N -1.442 118.540 119.950 0.054 0.000 2.500 246 F HA 0.112 4.639 4.527 -0.000 0.000 0.285 246 F C 1.581 177.410 175.800 0.048 0.000 1.088 246 F CA 0.140 58.167 58.000 0.045 0.000 1.432 246 F CB 0.627 39.650 39.000 0.038 0.000 1.131 246 F HN -0.156 nan 8.300 nan 0.000 0.582 247 S N 0.371 116.210 115.700 0.231 0.000 2.204 247 S HA 0.296 4.766 4.470 -0.000 0.000 0.178 247 S C -2.046 172.643 174.600 0.148 0.000 1.493 247 S CA -1.445 56.853 58.200 0.164 0.000 1.266 247 S CB -0.085 63.203 63.200 0.147 0.000 1.232 247 S HN -0.169 nan 8.310 nan 0.000 0.406 248 P HA -0.087 nan 4.420 nan 0.000 0.217 248 P C 0.525 177.935 177.300 0.182 0.000 1.151 248 P CA 1.269 64.463 63.100 0.157 0.000 0.849 248 P CB 0.088 31.881 31.700 0.155 0.000 0.787 249 N N -1.836 116.964 118.700 0.166 0.000 2.234 249 N HA 0.088 4.828 4.740 -0.000 0.000 0.227 249 N C 1.218 176.820 175.510 0.153 0.000 1.151 249 N CA -0.244 52.917 53.050 0.184 0.000 0.865 249 N CB -0.013 38.576 38.487 0.171 0.000 1.066 249 N HN 0.062 nan 8.380 nan 0.000 0.515 250 L N 1.142 122.449 121.223 0.140 0.000 1.963 250 L HA -0.119 4.221 4.340 -0.000 0.000 0.220 250 L C 1.780 178.726 176.870 0.126 0.000 1.076 250 L CA 1.820 56.729 54.840 0.116 0.000 0.772 250 L CB -0.477 41.648 42.059 0.110 0.000 0.892 250 L HN 0.137 nan 8.230 nan 0.000 0.435 251 L N -0.691 120.627 121.223 0.158 0.000 2.622 251 L HA 0.093 4.433 4.340 -0.000 0.000 0.233 251 L C 1.056 178.038 176.870 0.186 0.000 1.156 251 L CA 0.140 55.090 54.840 0.183 0.000 0.866 251 L CB -1.139 41.080 42.059 0.268 0.000 0.980 251 L HN 0.378 nan 8.230 nan 0.000 0.448 252 G N -1.034 107.881 108.800 0.190 0.000 2.389 252 G HA2 0.199 4.159 3.960 -0.000 0.000 0.328 252 G HA3 0.199 4.159 3.960 -0.000 0.000 0.328 252 G C -1.155 173.869 174.900 0.207 0.000 1.133 252 G CA -0.437 44.787 45.100 0.207 0.000 0.891 252 G HN -0.137 nan 8.290 nan 0.000 0.485 253 D N 1.665 122.193 120.400 0.213 0.000 2.390 253 D HA 0.126 4.766 4.640 -0.000 0.000 0.249 253 D C -0.917 175.548 176.300 0.274 0.000 1.144 253 D CA -1.474 52.649 54.000 0.206 0.000 0.880 253 D CB 2.140 43.059 40.800 0.198 0.000 1.182 253 D HN 0.113 nan 8.370 nan 0.000 0.451 254 P HA -0.078 nan 4.420 nan 0.000 0.225 254 P C 0.925 178.397 177.300 0.287 0.000 1.156 254 P CA 0.470 63.702 63.100 0.220 0.000 0.787 254 P CB 0.534 32.269 31.700 0.058 0.000 0.802 255 E N 0.756 121.087 120.200 0.217 0.000 2.333 255 E HA -0.152 4.198 4.350 -0.000 0.000 0.198 255 E C 1.439 178.171 176.600 0.220 0.000 1.007 255 E CA 0.763 57.272 56.400 0.182 0.000 0.845 255 E CB -0.896 28.886 29.700 0.138 0.000 0.766 255 E HN 0.015 nan 8.360 nan 0.000 0.507 256 N N -0.871 117.994 118.700 0.275 0.000 2.362 256 N HA 0.042 4.782 4.740 -0.000 0.000 0.204 256 N C -0.621 175.010 175.510 0.203 0.000 1.166 256 N CA 0.117 53.282 53.050 0.191 0.000 0.831 256 N CB -0.003 38.549 38.487 0.108 0.000 1.008 256 N HN 0.099 nan 8.380 nan 0.000 0.472 257 F N -0.805 119.266 119.950 0.200 0.000 2.668 257 F HA 0.320 4.847 4.527 -0.000 0.000 0.301 257 F C 0.192 176.145 175.800 0.256 0.000 1.106 257 F CA -0.057 58.109 58.000 0.277 0.000 1.289 257 F CB 0.666 39.772 39.000 0.176 0.000 1.006 257 F HN -0.276 nan 8.300 nan 0.000 0.535 258 T N 1.350 116.061 114.554 0.262 0.000 2.847 258 T HA 0.300 4.650 4.350 -0.000 0.000 0.291 258 T C -2.657 171.917 174.700 -0.211 0.000 0.998 258 T CA -1.711 60.389 62.100 -0.001 0.000 0.967 258 T CB 1.894 70.784 68.868 0.035 0.000 0.954 258 T HN -0.304 nan 8.240 nan 0.000 0.441 259 P HA 0.141 nan 4.420 nan 0.000 0.261 259 P C -0.285 176.816 177.300 -0.332 0.000 1.173 259 P CA -0.089 62.624 63.100 -0.644 0.000 0.760 259 P CB 0.278 31.553 31.700 -0.709 0.000 0.783 260 A N 3.519 126.116 122.820 -0.371 0.000 2.586 260 A HA 0.110 4.430 4.320 -0.000 0.000 0.231 260 A C 0.570 177.878 177.584 -0.461 0.000 1.055 260 A CA 0.692 52.419 52.037 -0.517 0.000 0.756 260 A CB -0.469 17.859 19.000 -1.119 0.000 0.988 260 A HN 0.629 nan 8.150 nan 0.000 0.509 261 N N 1.848 120.314 118.700 -0.389 0.000 2.549 261 N HA 0.377 5.117 4.740 -0.000 0.000 0.290 261 N C -2.687 172.684 175.510 -0.231 0.000 1.122 261 N CA -1.920 50.968 53.050 -0.271 0.000 0.885 261 N CB 1.860 40.293 38.487 -0.090 0.000 1.455 261 N HN 0.061 nan 8.380 nan 0.000 0.521 262 P HA 0.051 nan 4.420 nan 0.000 0.225 262 P C 0.477 177.864 177.300 0.146 0.000 1.148 262 P CA 0.977 63.874 63.100 -0.338 0.000 0.779 262 P CB 0.317 31.781 31.700 -0.393 0.000 0.780 263 L N -1.458 119.822 121.223 0.095 0.000 2.848 263 L HA 0.221 4.561 4.340 -0.000 0.000 0.240 263 L C -0.243 176.693 176.870 0.110 0.000 1.232 263 L CA -0.185 54.721 54.840 0.111 0.000 1.031 263 L CB 0.366 42.442 42.059 0.028 0.000 1.338 263 L HN -0.288 nan 8.230 nan 0.000 0.509 264 V N -1.076 118.954 119.914 0.195 0.000 2.674 264 V HA 0.117 4.237 4.120 -0.000 0.000 0.279 264 V C -0.120 175.883 176.094 -0.151 0.000 1.051 264 V CA -0.457 61.862 62.300 0.031 0.000 0.912 264 V CB 1.837 33.669 31.823 0.015 0.000 1.044 264 V HN 0.115 nan 8.190 nan 0.000 0.464 265 T N 6.917 121.205 114.554 -0.442 0.000 2.832 265 T HA 0.394 4.744 4.350 -0.000 0.000 0.296 265 T C -2.251 172.074 174.700 -0.624 0.000 0.968 265 T CA -0.754 60.746 62.100 -0.999 0.000 1.107 265 T CB 1.383 69.765 68.868 -0.809 0.000 0.916 265 T HN 0.360 nan 8.240 nan 0.000 0.517 266 P HA 0.194 nan 4.420 nan 0.000 0.272 266 P C -1.765 175.351 177.300 -0.307 0.000 1.230 266 P CA -1.322 61.577 63.100 -0.334 0.000 0.788 266 P CB 0.215 31.786 31.700 -0.215 0.000 0.949 267 P HA -0.102 nan 4.420 nan 0.000 0.215 267 P C -0.415 176.610 177.300 -0.458 0.000 1.157 267 P CA 1.440 64.278 63.100 -0.438 0.000 0.863 267 P CB 0.004 31.350 31.700 -0.590 0.000 0.787 268 H N -1.229 117.823 119.070 -0.031 0.000 2.792 268 H HA 0.364 4.920 4.556 -0.000 0.000 0.298 268 H C -0.302 175.036 175.328 0.016 0.000 1.042 268 H CA -0.594 55.456 56.048 0.003 0.000 1.300 268 H CB 0.348 30.120 29.762 0.017 0.000 1.431 268 H HN -0.030 nan 8.280 nan 0.000 0.496 269 I N 5.325 125.970 120.570 0.125 0.000 2.243 269 I HA 0.072 4.242 4.170 -0.000 0.000 0.297 269 I C -0.072 176.113 176.117 0.114 0.000 1.161 269 I CA -0.081 61.278 61.300 0.099 0.000 1.298 269 I CB -0.331 37.720 38.000 0.085 0.000 1.475 269 I HN 0.505 nan 8.210 nan 0.000 0.561 270 K N 7.623 128.067 120.400 0.074 0.000 2.318 270 K HA 0.725 5.045 4.320 -0.000 0.000 0.249 270 K C -2.884 173.653 176.600 -0.105 0.000 0.942 270 K CA -1.706 54.593 56.287 0.021 0.000 0.808 270 K CB 2.136 34.691 32.500 0.091 0.000 1.189 270 K HN 0.032 nan 8.250 nan 0.000 0.428 271 P HA 0.098 nan 4.420 nan 0.000 0.279 271 P C -0.708 176.401 177.300 -0.318 0.000 1.282 271 P CA -0.382 62.562 63.100 -0.260 0.000 0.788 271 P CB 0.528 32.095 31.700 -0.221 0.000 1.139 272 E N 0.058 119.877 120.200 -0.634 0.000 2.408 272 E HA -0.039 4.311 4.350 -0.000 0.000 0.259 272 E C 1.659 177.816 176.600 -0.738 0.000 1.110 272 E CA -0.099 55.795 56.400 -0.844 0.000 0.929 272 E CB 0.148 28.868 29.700 -1.632 0.000 0.971 272 E HN 0.636 nan 8.360 nan 0.000 0.438 273 W N 3.663 124.665 121.300 -0.497 0.000 2.290 273 W HA -0.339 4.321 4.660 -0.000 0.000 0.323 273 W C 1.507 177.926 176.519 -0.167 0.000 1.260 273 W CA 1.682 58.888 57.345 -0.232 0.000 1.266 273 W CB -1.434 27.984 29.460 -0.069 0.000 1.149 273 W HN 0.654 nan 8.180 nan 0.000 0.482 274 Y N -1.909 117.754 120.300 -1.061 0.000 2.738 274 Y HA 0.023 4.573 4.550 -0.000 0.000 0.293 274 Y C 1.730 177.535 175.900 -0.159 0.000 1.156 274 Y CA 0.867 58.420 58.100 -0.912 0.000 1.410 274 Y CB -1.901 35.429 38.460 -1.883 0.000 0.966 274 Y HN 0.013 nan 8.280 nan 0.000 0.568 275 F N -1.312 118.465 119.950 -0.289 0.000 2.746 275 F HA 0.166 4.693 4.527 -0.000 0.000 0.313 275 F C 1.813 177.460 175.800 -0.254 0.000 1.095 275 F CA -0.406 57.443 58.000 -0.251 0.000 1.224 275 F CB 0.274 39.097 39.000 -0.294 0.000 1.060 275 F HN 0.026 nan 8.300 nan 0.000 0.584 276 L N 0.691 121.964 121.223 0.084 0.000 1.976 276 L HA -0.336 4.004 4.340 -0.000 0.000 0.223 276 L C 2.650 179.553 176.870 0.056 0.000 1.081 276 L CA 2.301 57.204 54.840 0.105 0.000 0.784 276 L CB -1.091 41.057 42.059 0.149 0.000 0.896 276 L HN 0.296 nan 8.230 nan 0.000 0.438 277 F N 0.527 120.500 119.950 0.039 0.000 2.115 277 F HA -0.279 4.248 4.527 -0.000 0.000 0.300 277 F C 2.298 178.060 175.800 -0.062 0.000 1.092 277 F CA 1.292 59.266 58.000 -0.043 0.000 1.245 277 F CB -1.015 37.919 39.000 -0.109 0.000 0.995 277 F HN -0.014 nan 8.300 nan 0.000 0.481 278 A N -0.842 121.177 122.820 -1.336 0.000 1.970 278 A HA -0.096 4.224 4.320 -0.000 0.000 0.216 278 A C 2.101 179.488 177.584 -0.328 0.000 1.170 278 A CA 1.050 52.506 52.037 -0.969 0.000 0.645 278 A CB -1.481 16.829 19.000 -1.150 0.000 0.816 278 A HN 0.611 nan 8.150 nan 0.000 0.447 279 Y N 0.764 120.851 120.300 -0.355 0.000 2.293 279 Y HA 0.013 4.563 4.550 -0.000 0.000 0.291 279 Y C 2.554 178.367 175.900 -0.145 0.000 1.137 279 Y CA 0.506 58.489 58.100 -0.195 0.000 1.202 279 Y CB -0.664 37.719 38.460 -0.128 0.000 0.990 279 Y HN 0.314 nan 8.280 nan 0.000 0.537 280 A N 0.420 123.154 122.820 -0.143 0.000 1.858 280 A HA -0.164 4.156 4.320 -0.000 0.000 0.216 280 A C 2.346 179.843 177.584 -0.145 0.000 1.190 280 A CA 1.937 53.864 52.037 -0.182 0.000 0.617 280 A CB -1.151 17.788 19.000 -0.103 0.000 0.827 280 A HN 0.451 nan 8.150 nan 0.000 0.443 281 I N -0.530 119.980 120.570 -0.100 0.000 2.335 281 I HA -0.247 3.923 4.170 -0.000 0.000 0.251 281 I C 2.434 178.529 176.117 -0.037 0.000 1.129 281 I CA 1.146 62.426 61.300 -0.033 0.000 1.402 281 I CB -0.303 37.695 38.000 -0.004 0.000 1.069 281 I HN 0.428 nan 8.210 nan 0.000 0.424 282 L N 1.217 122.390 121.223 -0.084 0.000 1.976 282 L HA -0.202 4.138 4.340 -0.000 0.000 0.209 282 L C 2.584 179.397 176.870 -0.095 0.000 1.071 282 L CA 1.913 56.712 54.840 -0.069 0.000 0.746 282 L CB -0.562 41.471 42.059 -0.044 0.000 0.890 282 L HN 0.082 nan 8.230 nan 0.000 0.432 283 R N -0.433 119.954 120.500 -0.188 0.000 2.235 283 R HA -0.064 4.276 4.340 -0.000 0.000 0.213 283 R C 2.372 178.611 176.300 -0.102 0.000 1.059 283 R CA 1.038 57.032 56.100 -0.176 0.000 0.997 283 R CB -0.567 29.554 30.300 -0.299 0.000 0.884 283 R HN 0.696 nan 8.270 nan 0.000 0.462 284 S N 0.842 116.495 115.700 -0.078 0.000 2.402 284 S HA -0.106 4.364 4.470 -0.000 0.000 0.233 284 S C 1.089 175.683 174.600 -0.011 0.000 1.030 284 S CA 0.778 58.960 58.200 -0.030 0.000 1.003 284 S CB -0.068 63.137 63.200 0.008 0.000 0.813 284 S HN 0.078 nan 8.310 nan 0.000 0.477 285 I N 4.056 124.618 120.570 -0.014 0.000 2.347 285 I HA 0.364 4.534 4.170 -0.000 0.000 0.283 285 I C -2.521 173.588 176.117 -0.014 0.000 1.058 285 I CA -2.991 58.304 61.300 -0.008 0.000 1.202 285 I CB 0.465 38.460 38.000 -0.008 0.000 1.386 285 I HN 0.141 nan 8.210 nan 0.000 0.475 286 P HA 0.119 nan 4.420 nan 0.000 0.270 286 P C -0.186 177.111 177.300 -0.004 0.000 1.242 286 P CA 0.198 63.293 63.100 -0.009 0.000 0.768 286 P CB 0.800 32.497 31.700 -0.005 0.000 0.820 287 N N 3.416 122.115 118.700 -0.002 0.000 7.332 287 N HA -0.081 4.659 4.740 -0.000 0.000 0.103 287 N C 0.581 176.092 175.510 0.002 0.000 0.950 287 N CA -0.235 52.816 53.050 0.002 0.000 1.221 287 N CB -0.111 38.375 38.487 -0.002 0.000 1.319 287 N HN 0.242 nan 8.380 nan 0.000 1.323 288 K N 1.533 121.938 120.400 0.008 0.000 2.090 288 K HA -0.230 4.090 4.320 -0.000 0.000 0.218 288 K C 1.763 178.366 176.600 0.006 0.000 1.055 288 K CA 2.299 58.592 56.287 0.010 0.000 0.941 288 K CB -0.014 32.496 32.500 0.017 0.000 0.722 288 K HN 0.432 nan 8.250 nan 0.000 0.458 289 L N 0.260 121.485 121.223 0.003 0.000 2.056 289 L HA -0.025 4.315 4.340 -0.000 0.000 0.207 289 L C 2.138 179.004 176.870 -0.007 0.000 1.078 289 L CA 2.304 57.143 54.840 -0.002 0.000 0.749 289 L CB -1.097 40.955 42.059 -0.012 0.000 0.901 289 L HN 0.327 nan 8.230 nan 0.000 0.433 290 G N -1.025 107.768 108.800 -0.011 0.000 2.421 290 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.216 290 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.216 290 G C 1.549 176.440 174.900 -0.014 0.000 1.171 290 G CA 0.579 45.668 45.100 -0.018 0.000 0.775 290 G HN 0.578 nan 8.290 nan 0.000 0.543 291 G N 0.259 109.054 108.800 -0.009 0.000 2.450 291 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.220 291 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.220 291 G C 1.759 176.661 174.900 0.002 0.000 1.130 291 G CA 1.219 46.315 45.100 -0.007 0.000 0.760 291 G HN 0.343 nan 8.290 nan 0.000 0.557 292 V N 0.941 120.861 119.914 0.009 0.000 2.237 292 V HA -0.143 3.977 4.120 -0.000 0.000 0.245 292 V C 2.934 179.043 176.094 0.024 0.000 1.046 292 V CA 1.718 64.034 62.300 0.026 0.000 1.007 292 V CB -0.578 31.273 31.823 0.047 0.000 0.638 292 V HN 0.373 nan 8.190 nan 0.000 0.445 293 L N 0.232 121.460 121.223 0.009 0.000 2.021 293 L HA -0.270 4.070 4.340 -0.000 0.000 0.215 293 L C 2.718 179.590 176.870 0.002 0.000 1.074 293 L CA 1.889 56.728 54.840 -0.001 0.000 0.760 293 L CB -0.938 41.106 42.059 -0.026 0.000 0.889 293 L HN 0.401 nan 8.230 nan 0.000 0.433 294 A N -0.201 122.615 122.820 -0.007 0.000 1.940 294 A HA -0.229 4.091 4.320 -0.000 0.000 0.219 294 A C 2.204 179.861 177.584 0.121 0.000 1.176 294 A CA 1.881 53.928 52.037 0.017 0.000 0.631 294 A CB -0.659 18.356 19.000 0.026 0.000 0.814 294 A HN 0.341 nan 8.150 nan 0.000 0.446 295 L N -0.212 121.051 121.223 0.066 0.000 1.994 295 L HA -0.026 4.314 4.340 -0.000 0.000 0.208 295 L C 2.663 179.577 176.870 0.073 0.000 1.071 295 L CA 2.245 57.110 54.840 0.043 0.000 0.745 295 L CB -1.254 40.800 42.059 -0.009 0.000 0.892 295 L HN 0.362 nan 8.230 nan 0.000 0.431 296 A N 0.018 122.878 122.820 0.066 0.000 1.842 296 A HA -0.243 4.077 4.320 -0.000 0.000 0.217 296 A C 2.491 180.159 177.584 0.140 0.000 1.206 296 A CA 2.834 54.918 52.037 0.079 0.000 0.630 296 A CB -1.616 17.420 19.000 0.059 0.000 0.839 296 A HN 0.656 nan 8.150 nan 0.000 0.447 297 A N 0.087 122.999 122.820 0.152 0.000 1.958 297 A HA -0.228 4.092 4.320 -0.000 0.000 0.221 297 A C 2.507 180.361 177.584 0.450 0.000 1.178 297 A CA 3.089 55.269 52.037 0.239 0.000 0.642 297 A CB -1.314 17.747 19.000 0.102 0.000 0.816 297 A HN 1.343 nan 8.150 nan 0.000 0.453 298 S N -0.771 115.218 115.700 0.481 0.000 2.374 298 S HA -0.155 4.315 4.470 -0.000 0.000 0.227 298 S C 1.679 176.484 174.600 0.343 0.000 1.037 298 S CA 1.865 60.339 58.200 0.457 0.000 1.024 298 S CB -0.786 62.557 63.200 0.239 0.000 0.861 298 S HN 0.346 nan 8.310 nan 0.000 0.456 299 V N 1.435 121.499 119.914 0.249 0.000 2.575 299 V HA 0.194 4.314 4.120 -0.000 0.000 0.242 299 V C 2.429 178.587 176.094 0.106 0.000 1.045 299 V CA 0.841 63.250 62.300 0.180 0.000 1.065 299 V CB -0.614 31.289 31.823 0.133 0.000 0.717 299 V HN 0.432 nan 8.190 nan 0.000 0.467 300 L N -0.197 121.114 121.223 0.146 0.000 2.191 300 L HA -0.165 4.175 4.340 -0.000 0.000 0.212 300 L C 2.458 179.456 176.870 0.215 0.000 1.103 300 L CA 1.148 56.092 54.840 0.173 0.000 0.769 300 L CB -0.642 41.565 42.059 0.247 0.000 0.908 300 L HN 0.329 nan 8.230 nan 0.000 0.438 301 I N 0.530 121.251 120.570 0.253 0.000 2.300 301 I HA -0.319 3.851 4.170 -0.000 0.000 0.252 301 I C 2.250 178.484 176.117 0.195 0.000 1.119 301 I CA 1.550 63.007 61.300 0.262 0.000 1.384 301 I CB -0.202 37.989 38.000 0.318 0.000 1.062 301 I HN 0.139 nan 8.210 nan 0.000 0.426 302 L N -1.016 120.285 121.223 0.130 0.000 2.189 302 L HA -0.257 4.083 4.340 -0.000 0.000 0.214 302 L C 2.291 179.334 176.870 0.288 0.000 1.097 302 L CA 1.468 56.395 54.840 0.144 0.000 0.764 302 L CB -0.669 41.358 42.059 -0.054 0.000 0.900 302 L HN 0.218 nan 8.230 nan 0.000 0.436 303 F N -0.827 119.275 119.950 0.254 0.000 2.365 303 F HA -0.155 4.372 4.527 -0.000 0.000 0.300 303 F C 2.047 177.971 175.800 0.206 0.000 1.090 303 F CA 0.425 58.575 58.000 0.251 0.000 1.408 303 F CB 0.037 39.151 39.000 0.189 0.000 1.060 303 F HN 0.024 nan 8.300 nan 0.000 0.534 304 L N -0.746 120.682 121.223 0.341 0.000 2.375 304 L HA -0.104 4.236 4.340 -0.000 0.000 0.215 304 L C 2.211 179.094 176.870 0.022 0.000 1.108 304 L CA -0.091 54.906 54.840 0.262 0.000 0.830 304 L CB -0.389 41.807 42.059 0.229 0.000 0.959 304 L HN 0.088 nan 8.230 nan 0.000 0.457 305 I N 1.039 121.534 120.570 -0.125 0.000 2.091 305 I HA -0.239 3.931 4.170 -0.000 0.000 0.240 305 I C 0.038 175.746 176.117 -0.681 0.000 1.046 305 I CA 2.133 63.149 61.300 -0.474 0.000 1.306 305 I CB -2.548 35.011 38.000 -0.734 0.000 1.018 305 I HN 0.164 nan 8.210 nan 0.000 0.404 306 P HA -0.186 nan 4.420 nan 0.000 0.217 306 P C 1.603 178.618 177.300 -0.474 0.000 1.148 306 P CA 1.601 64.302 63.100 -0.665 0.000 0.834 306 P CB -0.168 31.060 31.700 -0.785 0.000 0.783 307 F N -2.210 117.696 119.950 -0.074 0.000 2.797 307 F HA 0.144 4.671 4.527 -0.000 0.000 0.302 307 F C 1.610 177.396 175.800 -0.024 0.000 1.130 307 F CA 0.471 58.458 58.000 -0.022 0.000 1.387 307 F CB -0.734 38.265 39.000 -0.001 0.000 1.107 307 F HN -0.151 nan 8.300 nan 0.000 0.577 308 L N -0.661 120.585 121.223 0.038 0.000 2.791 308 L HA 0.168 4.508 4.340 -0.000 0.000 0.239 308 L C -0.186 176.674 176.870 -0.017 0.000 1.203 308 L CA -0.142 54.704 54.840 0.010 0.000 1.002 308 L CB -0.594 41.446 42.059 -0.032 0.000 1.295 308 L HN 0.051 nan 8.230 nan 0.000 0.504 309 H N 0.724 119.745 119.070 -0.081 0.000 2.652 309 H HA 0.203 4.759 4.556 -0.000 0.000 0.298 309 H C 0.745 176.065 175.328 -0.014 0.000 1.076 309 H CA -0.131 55.885 56.048 -0.053 0.000 1.360 309 H CB 0.841 30.607 29.762 0.006 0.000 1.421 309 H HN -0.134 nan 8.280 nan 0.000 0.464 310 K N 2.721 122.922 120.400 -0.332 0.000 2.365 310 K HA 0.054 4.374 4.320 -0.000 0.000 0.195 310 K C 0.819 177.266 176.600 -0.254 0.000 1.079 310 K CA 0.044 56.218 56.287 -0.188 0.000 0.979 310 K CB 0.244 32.682 32.500 -0.102 0.000 0.929 310 K HN 0.519 nan 8.250 nan 0.000 0.523 311 S N 1.414 116.812 115.700 -0.502 0.000 2.560 311 S HA -0.038 4.432 4.470 -0.000 0.000 0.276 311 S C 0.996 175.544 174.600 -0.088 0.000 1.350 311 S CA 0.320 58.346 58.200 -0.290 0.000 1.024 311 S CB 0.529 63.541 63.200 -0.313 0.000 0.864 311 S HN 0.082 nan 8.310 nan 0.000 0.536 312 K N 1.466 121.842 120.400 -0.040 0.000 2.374 312 K HA 0.165 4.485 4.320 -0.000 0.000 0.196 312 K C 0.171 176.763 176.600 -0.012 0.000 1.023 312 K CA 0.293 56.545 56.287 -0.058 0.000 1.103 312 K CB 0.286 32.666 32.500 -0.199 0.000 0.848 312 K HN 0.637 nan 8.250 nan 0.000 0.528 313 Q N -0.080 119.746 119.800 0.043 0.000 2.348 313 Q HA 0.306 4.646 4.340 -0.000 0.000 0.271 313 Q C 0.592 176.639 176.000 0.078 0.000 1.067 313 Q CA -0.435 55.401 55.803 0.054 0.000 0.839 313 Q CB 2.571 31.355 28.738 0.077 0.000 1.354 313 Q HN -0.049 nan 8.270 nan 0.000 0.447 314 R N 0.339 120.832 120.500 -0.011 0.000 2.052 314 R HA -0.026 4.314 4.340 -0.000 0.000 0.226 314 R C 0.892 177.107 176.300 -0.142 0.000 1.145 314 R CA 1.682 57.717 56.100 -0.108 0.000 0.952 314 R CB -0.067 30.119 30.300 -0.191 0.000 0.847 314 R HN 0.817 nan 8.270 nan 0.000 0.431 315 T N -2.226 112.220 114.554 -0.181 0.000 2.770 315 T HA 0.194 4.544 4.350 -0.000 0.000 0.281 315 T C 0.934 175.366 174.700 -0.446 0.000 0.981 315 T CA -0.556 61.357 62.100 -0.312 0.000 0.955 315 T CB 0.928 69.658 68.868 -0.231 0.000 1.060 315 T HN 0.151 nan 8.240 nan 0.000 0.531 316 M N 0.273 119.386 119.600 -0.813 0.000 2.419 316 M HA 0.129 4.609 4.480 -0.000 0.000 0.252 316 M C 1.656 177.545 176.300 -0.684 0.000 1.143 316 M CA -0.206 54.596 55.300 -0.830 0.000 0.985 316 M CB -0.071 31.723 32.600 -1.342 0.000 1.489 316 M HN 0.769 nan 8.290 nan 0.000 0.484 317 T N 0.427 114.602 114.554 -0.632 0.000 2.708 317 T HA -0.087 4.263 4.350 -0.000 0.000 0.266 317 T C 0.762 175.274 174.700 -0.313 0.000 1.037 317 T CA 1.458 63.248 62.100 -0.517 0.000 1.146 317 T CB -0.182 68.171 68.868 -0.859 0.000 0.865 317 T HN 0.400 nan 8.240 nan 0.000 0.435 318 F N 1.115 121.041 119.950 -0.040 0.000 2.925 318 F HA 0.411 4.938 4.527 -0.000 0.000 0.302 318 F C 0.743 176.532 175.800 -0.019 0.000 1.189 318 F CA -0.684 57.312 58.000 -0.007 0.000 1.346 318 F CB 0.189 39.195 39.000 0.009 0.000 0.954 318 F HN -0.299 nan 8.300 nan 0.000 0.506 319 R N 1.580 122.115 120.500 0.059 0.000 2.639 319 R HA 0.166 4.506 4.340 -0.000 0.000 0.273 319 R C -2.121 174.198 176.300 0.032 0.000 1.732 319 R CA -1.311 54.806 56.100 0.028 0.000 1.586 319 R CB 0.767 31.043 30.300 -0.040 0.000 1.263 319 R HN -0.030 nan 8.270 nan 0.000 0.615 320 P HA -0.196 nan 4.420 nan 0.000 0.218 320 P C 1.148 178.502 177.300 0.090 0.000 1.148 320 P CA 1.195 64.352 63.100 0.096 0.000 0.822 320 P CB 0.419 32.175 31.700 0.093 0.000 0.784 321 L N -0.575 120.686 121.223 0.063 0.000 2.056 321 L HA -0.090 4.250 4.340 -0.000 0.000 0.207 321 L C 2.736 179.639 176.870 0.054 0.000 1.078 321 L CA 1.494 56.362 54.840 0.047 0.000 0.749 321 L CB -1.125 40.948 42.059 0.024 0.000 0.901 321 L HN 0.004 nan 8.230 nan 0.000 0.433 322 S N -0.539 115.204 115.700 0.071 0.000 2.382 322 S HA -0.201 4.269 4.470 -0.000 0.000 0.228 322 S C 1.922 176.644 174.600 0.202 0.000 1.027 322 S CA 1.116 59.409 58.200 0.154 0.000 0.991 322 S CB -0.149 63.120 63.200 0.116 0.000 0.823 322 S HN 0.430 nan 8.310 nan 0.000 0.469 323 Q N 0.407 120.296 119.800 0.148 0.000 2.096 323 Q HA -0.153 4.187 4.340 -0.000 0.000 0.204 323 Q C 2.600 178.836 176.000 0.394 0.000 0.982 323 Q CA 1.903 57.866 55.803 0.267 0.000 0.850 323 Q CB -0.615 28.299 28.738 0.294 0.000 0.901 323 Q HN 0.792 nan 8.270 nan 0.000 0.422 324 T N -0.570 114.158 114.554 0.290 0.000 2.812 324 T HA -0.100 4.250 4.350 -0.000 0.000 0.264 324 T C 1.823 176.631 174.700 0.179 0.000 1.042 324 T CA 0.651 62.921 62.100 0.283 0.000 1.140 324 T CB -0.317 68.646 68.868 0.159 0.000 0.870 324 T HN 0.078 nan 8.240 nan 0.000 0.445 325 L N 0.548 121.803 121.223 0.053 0.000 2.079 325 L HA 0.101 4.441 4.340 -0.000 0.000 0.210 325 L C 2.142 178.980 176.870 -0.054 0.000 1.081 325 L CA 1.393 56.138 54.840 -0.159 0.000 0.752 325 L CB -1.313 40.460 42.059 -0.476 0.000 0.896 325 L HN 0.356 nan 8.230 nan 0.000 0.433 326 F N -1.086 118.908 119.950 0.072 0.000 2.075 326 F HA -0.254 4.273 4.527 -0.000 0.000 0.297 326 F C 1.922 177.638 175.800 -0.140 0.000 1.113 326 F CA 1.837 59.885 58.000 0.081 0.000 1.218 326 F CB -0.716 38.211 39.000 -0.121 0.000 0.984 326 F HN 0.110 nan 8.300 nan 0.000 0.472 327 W N -0.286 121.079 121.300 0.108 0.000 2.465 327 W HA -0.072 4.588 4.660 -0.000 0.000 0.268 327 W C 2.044 178.507 176.519 -0.093 0.000 1.242 327 W CA 0.109 57.429 57.345 -0.040 0.000 1.248 327 W CB -0.431 29.079 29.460 0.084 0.000 1.118 327 W HN 0.074 nan 8.180 nan 0.000 0.587 328 L N -0.283 121.006 121.223 0.110 0.000 2.056 328 L HA -0.162 4.178 4.340 -0.000 0.000 0.207 328 L C 2.362 179.214 176.870 -0.031 0.000 1.078 328 L CA 1.374 56.235 54.840 0.035 0.000 0.749 328 L CB -1.117 40.932 42.059 -0.017 0.000 0.901 328 L HN -0.001 nan 8.230 nan 0.000 0.433 329 L N -1.304 119.852 121.223 -0.112 0.000 2.017 329 L HA -0.175 4.165 4.340 -0.000 0.000 0.208 329 L C 2.394 179.170 176.870 -0.156 0.000 1.073 329 L CA 1.784 56.540 54.840 -0.140 0.000 0.745 329 L CB -0.657 41.297 42.059 -0.176 0.000 0.894 329 L HN 0.066 nan 8.230 nan 0.000 0.432 330 V N 0.310 120.064 119.914 -0.267 0.000 2.282 330 V HA -0.349 3.771 4.120 -0.000 0.000 0.249 330 V C 2.825 178.890 176.094 -0.049 0.000 1.057 330 V CA 1.842 64.025 62.300 -0.196 0.000 1.032 330 V CB -1.673 30.078 31.823 -0.121 0.000 0.645 330 V HN 0.634 nan 8.190 nan 0.000 0.447 331 A N 0.212 123.038 122.820 0.011 0.000 1.902 331 A HA -0.272 4.048 4.320 -0.000 0.000 0.217 331 A C 2.193 179.789 177.584 0.021 0.000 1.181 331 A CA 1.985 54.039 52.037 0.028 0.000 0.623 331 A CB -0.818 18.207 19.000 0.043 0.000 0.818 331 A HN 0.565 nan 8.150 nan 0.000 0.443 332 N N 0.440 119.148 118.700 0.013 0.000 2.060 332 N HA -0.166 4.574 4.740 -0.000 0.000 0.195 332 N C 1.666 177.197 175.510 0.035 0.000 1.028 332 N CA 1.921 54.993 53.050 0.038 0.000 0.861 332 N CB -0.429 38.086 38.487 0.046 0.000 1.029 332 N HN 0.528 nan 8.380 nan 0.000 0.428 333 L N 0.466 121.682 121.223 -0.012 0.000 2.083 333 L HA -0.125 4.215 4.340 -0.000 0.000 0.209 333 L C 2.520 179.381 176.870 -0.014 0.000 1.083 333 L CA 0.622 55.420 54.840 -0.069 0.000 0.752 333 L CB -0.387 41.558 42.059 -0.191 0.000 0.899 333 L HN 0.186 nan 8.230 nan 0.000 0.433 334 L N -0.405 120.823 121.223 0.008 0.000 2.046 334 L HA -0.249 4.091 4.340 -0.000 0.000 0.208 334 L C 2.486 179.430 176.870 0.124 0.000 1.077 334 L CA 1.399 56.268 54.840 0.049 0.000 0.747 334 L CB -0.287 41.787 42.059 0.026 0.000 0.896 334 L HN 0.236 nan 8.230 nan 0.000 0.432 335 I N -0.550 120.099 120.570 0.132 0.000 2.179 335 I HA -0.335 3.835 4.170 -0.000 0.000 0.242 335 I C 2.427 178.679 176.117 0.225 0.000 1.088 335 I CA 1.308 62.755 61.300 0.246 0.000 1.357 335 I CB -0.226 37.897 38.000 0.206 0.000 1.051 335 I HN 0.212 nan 8.210 nan 0.000 0.409 336 L N 0.091 121.387 121.223 0.121 0.000 2.042 336 L HA -0.237 4.103 4.340 -0.000 0.000 0.210 336 L C 2.651 179.578 176.870 0.095 0.000 1.076 336 L CA 1.622 56.507 54.840 0.074 0.000 0.749 336 L CB -0.841 41.249 42.059 0.051 0.000 0.893 336 L HN 0.297 nan 8.230 nan 0.000 0.432 337 T N -1.347 113.299 114.554 0.152 0.000 2.684 337 T HA -0.268 4.082 4.350 -0.000 0.000 0.267 337 T C 1.291 176.085 174.700 0.157 0.000 1.036 337 T CA 1.765 63.974 62.100 0.181 0.000 1.148 337 T CB -0.418 68.564 68.868 0.190 0.000 0.863 337 T HN 0.539 nan 8.240 nan 0.000 0.436 338 W N 2.042 123.332 121.300 -0.017 0.000 2.355 338 W HA -0.067 4.593 4.660 -0.000 0.000 0.309 338 W C 1.683 178.112 176.519 -0.151 0.000 1.206 338 W CA 0.434 57.734 57.345 -0.074 0.000 1.284 338 W CB -0.648 28.770 29.460 -0.070 0.000 1.145 338 W HN 0.047 nan 8.180 nan 0.000 0.502 339 I N 1.474 121.796 120.570 -0.412 0.000 2.208 339 I HA -0.214 3.956 4.170 -0.000 0.000 0.245 339 I C 2.573 178.416 176.117 -0.458 0.000 1.097 339 I CA 1.916 62.821 61.300 -0.659 0.000 1.363 339 I CB -2.093 35.698 38.000 -0.348 0.000 1.051 339 I HN 0.243 nan 8.210 nan 0.000 0.413 340 G N 0.466 109.135 108.800 -0.217 0.000 2.462 340 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.220 340 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.220 340 G C 1.624 176.481 174.900 -0.072 0.000 1.121 340 G CA 1.176 46.213 45.100 -0.105 0.000 0.758 340 G HN 0.562 nan 8.290 nan 0.000 0.559 341 S N -1.121 114.483 115.700 -0.159 0.000 2.575 341 S HA 0.257 4.727 4.470 -0.000 0.000 0.215 341 S C 0.798 175.232 174.600 -0.276 0.000 0.966 341 S CA -0.137 57.984 58.200 -0.132 0.000 0.911 341 S CB 0.245 63.410 63.200 -0.058 0.000 0.780 341 S HN 0.224 nan 8.310 nan 0.000 0.514 342 Q N 2.172 121.674 119.800 -0.497 0.000 2.248 342 Q HA 0.550 4.890 4.340 -0.000 0.000 0.263 342 Q C -2.565 173.222 176.000 -0.356 0.000 1.007 342 Q CA -2.410 53.007 55.803 -0.643 0.000 0.877 342 Q CB 0.870 28.652 28.738 -1.594 0.000 1.315 342 Q HN 0.219 nan 8.270 nan 0.000 0.454 343 P HA 0.053 nan 4.420 nan 0.000 0.272 343 P C -0.360 176.965 177.300 0.042 0.000 1.254 343 P CA -0.237 62.858 63.100 -0.008 0.000 0.795 343 P CB 0.518 32.258 31.700 0.066 0.000 1.022 344 V N 0.699 120.635 119.914 0.037 0.000 2.222 344 V HA 0.253 4.373 4.120 -0.000 0.000 0.253 344 V C 0.510 176.638 176.094 0.057 0.000 1.210 344 V CA 0.373 62.686 62.300 0.022 0.000 1.079 344 V CB -1.366 30.446 31.823 -0.018 0.000 1.265 344 V HN 0.507 nan 8.190 nan 0.000 0.494 345 E N 0.509 120.767 120.200 0.096 0.000 2.433 345 E HA 0.402 4.752 4.350 -0.000 0.000 0.278 345 E C -1.132 175.461 176.600 -0.011 0.000 0.976 345 E CA -1.149 55.281 56.400 0.049 0.000 0.793 345 E CB 2.090 31.809 29.700 0.032 0.000 1.311 345 E HN 0.654 nan 8.360 nan 0.000 0.460 346 H N 2.359 121.362 119.070 -0.112 0.000 2.790 346 H HA 0.082 4.638 4.556 -0.000 0.000 0.358 346 H C -1.500 173.610 175.328 -0.363 0.000 1.103 346 H CA -0.935 55.017 56.048 -0.160 0.000 1.426 346 H CB 0.935 30.634 29.762 -0.106 0.000 1.424 346 H HN 0.246 nan 8.280 nan 0.000 0.599 347 P HA -0.072 nan 4.420 nan 0.000 0.235 347 P C 1.212 178.265 177.300 -0.411 0.000 1.177 347 P CA 0.747 63.150 63.100 -1.161 0.000 0.785 347 P CB 0.190 31.380 31.700 -0.851 0.000 0.885 348 F N 0.743 120.529 119.950 -0.275 0.000 2.111 348 F HA -0.237 4.290 4.527 -0.000 0.000 0.300 348 F C 2.494 178.179 175.800 -0.190 0.000 1.088 348 F CA 0.628 58.459 58.000 -0.281 0.000 1.243 348 F CB -0.978 37.830 39.000 -0.320 0.000 0.996 348 F HN -0.200 nan 8.300 nan 0.000 0.483 349 I N -0.310 120.298 120.570 0.063 0.000 2.163 349 I HA -0.299 3.871 4.170 -0.000 0.000 0.243 349 I C 2.421 178.561 176.117 0.038 0.000 1.085 349 I CA 1.291 62.614 61.300 0.039 0.000 1.347 349 I CB -0.448 37.583 38.000 0.052 0.000 1.044 349 I HN 0.146 nan 8.210 nan 0.000 0.408 350 I N 1.068 121.674 120.570 0.058 0.000 2.286 350 I HA -0.202 3.968 4.170 -0.000 0.000 0.245 350 I C 2.277 178.427 176.117 0.055 0.000 1.104 350 I CA 1.500 62.840 61.300 0.068 0.000 1.397 350 I CB -0.195 37.871 38.000 0.110 0.000 1.072 350 I HN 0.055 nan 8.210 nan 0.000 0.417 351 I N 0.359 120.959 120.570 0.049 0.000 2.264 351 I HA -0.247 3.923 4.170 -0.000 0.000 0.248 351 I C 2.515 178.665 176.117 0.055 0.000 1.111 351 I CA 1.393 62.738 61.300 0.075 0.000 1.382 351 I CB -1.265 36.808 38.000 0.121 0.000 1.060 351 I HN 0.368 nan 8.210 nan 0.000 0.418 352 G N 0.397 109.207 108.800 0.016 0.000 2.459 352 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.217 352 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.217 352 G C 1.547 176.462 174.900 0.024 0.000 1.183 352 G CA 0.547 45.642 45.100 -0.009 0.000 0.776 352 G HN 0.418 nan 8.290 nan 0.000 0.552 353 Q N -0.624 119.196 119.800 0.034 0.000 2.224 353 Q HA 0.018 4.358 4.340 -0.000 0.000 0.203 353 Q C 2.681 178.725 176.000 0.074 0.000 0.970 353 Q CA 0.886 56.721 55.803 0.053 0.000 0.865 353 Q CB -0.155 28.610 28.738 0.045 0.000 0.922 353 Q HN 0.340 nan 8.270 nan 0.000 0.445 354 M N 0.161 119.803 119.600 0.070 0.000 2.064 354 M HA -0.074 4.406 4.480 -0.000 0.000 0.260 354 M C 2.383 178.737 176.300 0.091 0.000 1.073 354 M CA 1.619 56.966 55.300 0.077 0.000 1.124 354 M CB -1.331 31.314 32.600 0.073 0.000 1.326 354 M HN 0.262 nan 8.290 nan 0.000 0.410 355 A N -0.203 122.670 122.820 0.088 0.000 1.940 355 A HA -0.145 4.175 4.320 -0.000 0.000 0.219 355 A C 2.534 180.188 177.584 0.117 0.000 1.176 355 A CA 2.288 54.382 52.037 0.094 0.000 0.631 355 A CB -0.895 18.156 19.000 0.085 0.000 0.814 355 A HN 0.511 nan 8.150 nan 0.000 0.446 356 S N -0.823 114.947 115.700 0.117 0.000 2.368 356 S HA -0.105 4.365 4.470 -0.000 0.000 0.224 356 S C 1.848 176.629 174.600 0.303 0.000 1.029 356 S CA 1.375 59.683 58.200 0.180 0.000 0.988 356 S CB -0.355 62.946 63.200 0.167 0.000 0.838 356 S HN 0.452 nan 8.310 nan 0.000 0.462 357 L N 2.211 123.567 121.223 0.223 0.000 2.027 357 L HA -0.074 4.266 4.340 -0.000 0.000 0.206 357 L C 2.484 179.472 176.870 0.197 0.000 1.074 357 L CA 2.084 57.058 54.840 0.223 0.000 0.745 357 L CB -1.087 41.052 42.059 0.134 0.000 0.898 357 L HN 0.412 nan 8.230 nan 0.000 0.433 358 S N -1.713 114.070 115.700 0.137 0.000 2.382 358 S HA -0.307 4.163 4.470 -0.000 0.000 0.228 358 S C 2.090 176.726 174.600 0.060 0.000 1.027 358 S CA 1.259 59.508 58.200 0.082 0.000 0.991 358 S CB -1.348 61.888 63.200 0.060 0.000 0.823 358 S HN 0.536 nan 8.310 nan 0.000 0.469 359 Y N 2.135 122.408 120.300 -0.046 0.000 2.040 359 Y HA -0.218 4.332 4.550 -0.000 0.000 0.275 359 Y C 1.884 177.646 175.900 -0.230 0.000 1.171 359 Y CA 1.710 59.696 58.100 -0.190 0.000 1.123 359 Y CB -0.884 37.374 38.460 -0.337 0.000 0.963 359 Y HN 0.266 nan 8.280 nan 0.000 0.493 360 F N -0.492 119.469 119.950 0.018 0.000 2.293 360 F HA -0.165 4.362 4.527 -0.000 0.000 0.300 360 F C 2.349 178.104 175.800 -0.074 0.000 1.086 360 F CA 1.582 59.544 58.000 -0.062 0.000 1.375 360 F CB -0.696 38.354 39.000 0.084 0.000 1.045 360 F HN 0.007 nan 8.300 nan 0.000 0.516 361 T N 0.605 115.219 114.554 0.101 0.000 2.701 361 T HA -0.126 4.224 4.350 -0.000 0.000 0.263 361 T C 2.143 176.821 174.700 -0.037 0.000 1.040 361 T CA 1.186 63.310 62.100 0.041 0.000 1.147 361 T CB -0.440 68.448 68.868 0.034 0.000 0.865 361 T HN 0.168 nan 8.240 nan 0.000 0.426 362 I N 0.792 121.300 120.570 -0.102 0.000 2.248 362 I HA -0.180 3.990 4.170 -0.000 0.000 0.248 362 I C 2.209 178.278 176.117 -0.080 0.000 1.107 362 I CA 1.479 62.671 61.300 -0.180 0.000 1.373 362 I CB -0.362 37.507 38.000 -0.218 0.000 1.055 362 I HN 0.224 nan 8.210 nan 0.000 0.418 363 L N -0.495 120.691 121.223 -0.061 0.000 2.168 363 L HA -0.069 4.271 4.340 -0.000 0.000 0.203 363 L C 2.364 179.264 176.870 0.050 0.000 1.078 363 L CA 0.660 55.523 54.840 0.038 0.000 0.780 363 L CB -0.224 41.740 42.059 -0.160 0.000 0.939 363 L HN 0.188 nan 8.230 nan 0.000 0.451 364 L N -0.806 120.441 121.223 0.041 0.000 2.162 364 L HA -0.059 4.281 4.340 -0.000 0.000 0.205 364 L C 2.117 179.016 176.870 0.048 0.000 1.086 364 L CA 1.187 56.065 54.840 0.064 0.000 0.778 364 L CB 0.050 42.167 42.059 0.097 0.000 0.928 364 L HN 0.213 nan 8.230 nan 0.000 0.446 365 I N -1.598 118.991 120.570 0.030 0.000 3.366 365 I HA -0.090 4.080 4.170 -0.000 0.000 0.267 365 I C 2.101 178.213 176.117 -0.010 0.000 1.149 365 I CA 0.161 61.469 61.300 0.013 0.000 1.436 365 I CB 0.184 38.189 38.000 0.008 0.000 1.379 365 I HN 0.019 nan 8.210 nan 0.000 0.460 366 L N 0.136 121.327 121.223 -0.053 0.000 1.973 366 L HA -0.178 4.162 4.340 -0.000 0.000 0.208 366 L C 2.614 179.424 176.870 -0.100 0.000 1.073 366 L CA 1.866 56.636 54.840 -0.117 0.000 0.746 366 L CB -0.797 41.127 42.059 -0.224 0.000 0.891 366 L HN 0.156 nan 8.230 nan 0.000 0.433 367 F N 0.758 120.667 119.950 -0.068 0.000 2.085 367 F HA -0.229 4.298 4.527 -0.000 0.000 0.299 367 F C 0.033 175.780 175.800 -0.089 0.000 1.096 367 F CA 1.958 59.908 58.000 -0.082 0.000 1.227 367 F CB -1.497 37.442 39.000 -0.103 0.000 0.983 367 F HN 0.195 nan 8.300 nan 0.000 0.482 368 P HA -0.095 nan 4.420 nan 0.000 0.217 368 P C 1.403 178.711 177.300 0.013 0.000 1.151 368 P CA 1.716 64.839 63.100 0.038 0.000 0.828 368 P CB -0.220 31.498 31.700 0.030 0.000 0.788 369 T N 0.978 115.538 114.554 0.009 0.000 2.668 369 T HA -0.062 4.288 4.350 -0.000 0.000 0.262 369 T C 1.946 176.640 174.700 -0.010 0.000 1.045 369 T CA 1.003 63.099 62.100 -0.006 0.000 1.152 369 T CB -0.606 68.254 68.868 -0.015 0.000 0.864 369 T HN -0.071 nan 8.240 nan 0.000 0.419 370 I N 1.718 122.276 120.570 -0.019 0.000 2.194 370 I HA -0.146 4.024 4.170 -0.000 0.000 0.246 370 I C 2.862 178.978 176.117 -0.002 0.000 1.093 370 I CA 1.531 62.819 61.300 -0.019 0.000 1.355 370 I CB -1.872 36.103 38.000 -0.043 0.000 1.046 370 I HN 0.331 nan 8.210 nan 0.000 0.413 371 G N 0.224 109.026 108.800 0.004 0.000 2.446 371 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.217 371 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.217 371 G C 1.712 176.592 174.900 -0.034 0.000 1.168 371 G CA 1.476 46.557 45.100 -0.031 0.000 0.771 371 G HN 0.319 nan 8.290 nan 0.000 0.551 372 T N 0.975 115.514 114.554 -0.024 0.000 2.674 372 T HA -0.140 4.210 4.350 -0.000 0.000 0.265 372 T C 2.276 176.980 174.700 0.005 0.000 1.039 372 T CA 1.307 63.401 62.100 -0.010 0.000 1.150 372 T CB -0.321 68.543 68.868 -0.005 0.000 0.864 372 T HN 0.169 nan 8.240 nan 0.000 0.427 373 L N 1.400 122.625 121.223 0.003 0.000 2.013 373 L HA -0.127 4.213 4.340 -0.000 0.000 0.212 373 L C 2.278 179.157 176.870 0.016 0.000 1.073 373 L CA 1.979 56.824 54.840 0.008 0.000 0.753 373 L CB -0.678 41.382 42.059 0.001 0.000 0.890 373 L HN 0.274 nan 8.230 nan 0.000 0.432 374 E N -0.610 119.599 120.200 0.016 0.000 2.118 374 E HA -0.235 4.115 4.350 -0.000 0.000 0.195 374 E C 1.945 178.574 176.600 0.049 0.000 0.992 374 E CA 1.183 57.599 56.400 0.027 0.000 0.804 374 E CB -0.112 29.602 29.700 0.023 0.000 0.741 374 E HN 0.561 nan 8.360 nan 0.000 0.458 375 N N 0.738 119.469 118.700 0.052 0.000 2.104 375 N HA -0.155 4.585 4.740 -0.000 0.000 0.190 375 N C 1.461 177.042 175.510 0.118 0.000 1.024 375 N CA 1.103 54.214 53.050 0.103 0.000 0.853 375 N CB -0.061 38.469 38.487 0.072 0.000 1.008 375 N HN 0.152 nan 8.380 nan 0.000 0.424 376 K N 0.254 120.694 120.400 0.066 0.000 2.097 376 K HA 0.027 4.347 4.320 -0.000 0.000 0.206 376 K C 1.848 178.462 176.600 0.023 0.000 1.049 376 K CA 0.916 57.230 56.287 0.046 0.000 0.933 376 K CB -0.124 32.392 32.500 0.028 0.000 0.717 376 K HN 0.156 nan 8.250 nan 0.000 0.442 377 M N 0.562 120.175 119.600 0.021 0.000 2.632 377 M HA -0.068 4.412 4.480 -0.000 0.000 0.256 377 M C 1.240 177.533 176.300 -0.013 0.000 1.080 377 M CA 1.002 56.305 55.300 0.004 0.000 1.084 377 M CB 0.158 32.764 32.600 0.011 0.000 1.439 377 M HN 0.091 nan 8.290 nan 0.000 0.509 378 L N -0.927 120.290 121.223 -0.010 0.000 2.640 378 L HA 0.175 4.515 4.340 -0.000 0.000 0.230 378 L C 0.336 177.059 176.870 -0.246 0.000 1.123 378 L CA -0.209 54.584 54.840 -0.078 0.000 0.900 378 L CB 0.043 42.127 42.059 0.043 0.000 1.146 378 L HN 0.360 nan 8.230 nan 0.000 0.484 379 N N -0.374 118.239 118.700 -0.144 0.000 2.814 379 N HA -0.247 4.493 4.740 -0.000 0.000 0.247 379 N C -0.858 174.528 175.510 -0.206 0.000 1.089 379 N CA 0.574 53.528 53.050 -0.159 0.000 0.682 379 N CB -1.373 37.001 38.487 -0.189 0.000 0.970 379 N HN 0.367 nan 8.380 nan 0.000 0.554 380 Y N 0.000 120.301 120.300 0.001 0.000 2.660 380 Y HA 0.000 4.550 4.550 -0.000 0.000 0.201 380 Y CA 0.000 58.102 58.100 0.003 0.000 1.940 380 Y CB 0.000 38.463 38.460 0.005 0.000 1.050 380 Y HN 0.000 nan 8.280 nan 0.000 0.758