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 1sqv_1_C DATA FIRST_RESID 2 DATA SEQUENCE TNIRKSHPLM KIVNNAFIDL PAPSNISSWW NFGSLLGICL ILQILTGLFL DATA SEQUENCE AMHYTSDTTT AFSSVTHICR DVNYGWIIRY MHANGASMFF ICLYMHVGRG DATA SEQUENCE LYYGSYTFLE TWNIGVILLL TVMATAFMGY VLPWGQMSFW GATVITNLLS DATA SEQUENCE AIPYIGTNLV EWIWGGFSVD KATLTRFFAF HFILPFIIMA IAMVHLLFLH DATA SEQUENCE ETGSNNPTGI SSDVDKIPFH PYYTIKDILG ALLLILALML LVLFAPDLLG DATA SEQUENCE DPDNYTPANP LNTPPHIKPE WYFLFAYAIL RSIPNKLGGV LALAFSILIL DATA SEQUENCE ALIPLLHTSK QRSMMFRPLS QCLFWALVAD LLTLTWIGGQ PVEHPYITIG DATA SEQUENCE QLASVLYFLL ILVLMPTAGT IENKLLKW 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 T HA 0.000 nan 4.350 nan 0.000 0.228 2 T C 0.000 174.703 174.700 0.006 0.000 1.109 2 T CA 0.000 62.103 62.100 0.005 0.000 1.349 2 T CB 0.000 68.872 68.868 0.006 0.000 0.612 3 N N 0.626 119.330 118.700 0.007 0.000 2.399 3 N HA 0.232 4.972 4.740 -0.000 0.000 0.259 3 N C 1.408 176.924 175.510 0.011 0.000 1.160 3 N CA -0.425 52.629 53.050 0.006 0.000 0.946 3 N CB -0.045 38.447 38.487 0.008 0.000 1.156 3 N HN 0.664 nan 8.380 nan 0.000 0.489 4 I N 2.776 123.349 120.570 0.005 0.000 2.227 4 I HA -0.372 3.798 4.170 -0.000 0.000 0.250 4 I C 2.414 178.548 176.117 0.028 0.000 1.087 4 I CA 1.293 62.598 61.300 0.008 0.000 1.352 4 I CB -0.007 37.974 38.000 -0.031 0.000 1.043 4 I HN 0.594 nan 8.210 nan 0.000 0.425 5 R N 0.794 121.302 120.500 0.013 0.000 2.241 5 R HA -0.165 4.175 4.340 -0.000 0.000 0.224 5 R C 1.721 178.040 176.300 0.032 0.000 1.101 5 R CA 1.170 57.283 56.100 0.021 0.000 0.995 5 R CB 0.067 30.371 30.300 0.007 0.000 0.870 5 R HN 0.386 nan 8.270 nan 0.000 0.463 6 K N -1.182 119.234 120.400 0.028 0.000 2.354 6 K HA 0.065 4.385 4.320 -0.000 0.000 0.194 6 K C 1.487 178.098 176.600 0.018 0.000 1.045 6 K CA 0.935 57.231 56.287 0.016 0.000 1.026 6 K CB 0.925 33.430 32.500 0.010 0.000 0.866 6 K HN 0.196 nan 8.250 nan 0.000 0.530 7 S N -1.095 114.629 115.700 0.040 0.000 2.769 7 S HA -0.014 4.456 4.470 -0.000 0.000 0.258 7 S C 0.499 175.131 174.600 0.052 0.000 1.080 7 S CA -0.302 57.918 58.200 0.033 0.000 0.943 7 S CB -0.418 62.798 63.200 0.028 0.000 0.893 7 S HN 0.317 nan 8.310 nan 0.000 0.490 8 H N 5.425 124.488 119.070 -0.012 0.000 3.125 8 H HA 0.223 4.779 4.556 -0.000 0.000 0.310 8 H C -1.979 173.342 175.328 -0.012 0.000 0.980 8 H CA -0.623 55.418 56.048 -0.010 0.000 1.422 8 H CB 0.726 30.483 29.762 -0.008 0.000 1.432 8 H HN 0.026 nan 8.280 nan 0.000 0.577 9 P HA -0.175 nan 4.420 nan 0.000 0.218 9 P C 1.343 178.506 177.300 -0.229 0.000 1.148 9 P CA 0.868 63.805 63.100 -0.271 0.000 0.822 9 P CB 0.254 31.797 31.700 -0.261 0.000 0.784 10 L N -2.073 118.940 121.223 -0.349 0.000 2.084 10 L HA 0.068 4.408 4.340 -0.000 0.000 0.202 10 L C 2.488 179.391 176.870 0.056 0.000 1.074 10 L CA 1.609 56.392 54.840 -0.095 0.000 0.757 10 L CB -0.761 41.286 42.059 -0.020 0.000 0.918 10 L HN -0.186 nan 8.230 nan 0.000 0.444 11 M N -0.906 118.837 119.600 0.238 0.000 2.117 11 M HA -0.251 4.229 4.480 -0.000 0.000 0.262 11 M C 2.172 178.521 176.300 0.081 0.000 1.065 11 M CA 1.488 56.904 55.300 0.194 0.000 1.114 11 M CB -0.208 32.530 32.600 0.231 0.000 1.361 11 M HN 0.149 nan 8.290 nan 0.000 0.408 12 K N 0.420 120.851 120.400 0.052 0.000 2.037 12 K HA -0.297 4.023 4.320 -0.000 0.000 0.229 12 K C 1.682 178.254 176.600 -0.047 0.000 1.040 12 K CA 2.177 58.457 56.287 -0.011 0.000 0.981 12 K CB -0.400 32.079 32.500 -0.034 0.000 0.749 12 K HN 0.264 nan 8.250 nan 0.000 0.451 13 I N 0.726 121.269 120.570 -0.045 0.000 2.208 13 I HA -0.248 3.922 4.170 -0.000 0.000 0.245 13 I C 2.405 178.452 176.117 -0.118 0.000 1.097 13 I CA 1.246 62.499 61.300 -0.078 0.000 1.363 13 I CB -0.801 37.176 38.000 -0.039 0.000 1.051 13 I HN 0.116 nan 8.210 nan 0.000 0.413 14 V N 1.207 121.114 119.914 -0.012 0.000 2.307 14 V HA -0.284 3.836 4.120 -0.000 0.000 0.245 14 V C 2.282 178.345 176.094 -0.052 0.000 1.045 14 V CA 2.266 64.612 62.300 0.076 0.000 1.024 14 V CB -0.955 30.978 31.823 0.184 0.000 0.651 14 V HN 0.453 nan 8.190 nan 0.000 0.449 15 N N 0.822 119.498 118.700 -0.040 0.000 2.120 15 N HA -0.183 4.557 4.740 -0.000 0.000 0.188 15 N C 1.543 176.973 175.510 -0.133 0.000 1.024 15 N CA 1.619 54.641 53.050 -0.047 0.000 0.852 15 N CB -0.263 38.216 38.487 -0.014 0.000 1.003 15 N HN 0.399 nan 8.380 nan 0.000 0.424 16 N N -0.445 118.136 118.700 -0.199 0.000 2.453 16 N HA -0.020 4.720 4.740 -0.000 0.000 0.183 16 N C 0.915 176.117 175.510 -0.514 0.000 1.041 16 N CA 1.010 53.896 53.050 -0.274 0.000 0.900 16 N CB -0.056 38.294 38.487 -0.228 0.000 0.961 16 N HN 0.456 nan 8.380 nan 0.000 0.443 17 A N -0.849 121.534 122.820 -0.728 0.000 1.984 17 A HA 0.253 4.573 4.320 -0.000 0.000 0.203 17 A C 0.869 177.739 177.584 -1.191 0.000 1.292 17 A CA 0.245 51.512 52.037 -1.283 0.000 0.782 17 A CB 0.084 18.076 19.000 -1.680 0.000 0.924 17 A HN 0.164 nan 8.150 nan 0.000 0.475 18 F N -1.535 118.250 119.950 -0.275 0.000 2.798 18 F HA 0.450 4.977 4.527 -0.000 0.000 0.328 18 F C 1.205 176.999 175.800 -0.011 0.000 1.098 18 F CA -0.266 57.519 58.000 -0.357 0.000 1.172 18 F CB 0.181 39.025 39.000 -0.260 0.000 1.072 18 F HN 0.054 nan 8.300 nan 0.000 0.555 19 I N -0.449 120.193 120.570 0.121 0.000 3.393 19 I HA 0.109 4.279 4.170 -0.000 0.000 0.250 19 I C 1.094 177.339 176.117 0.214 0.000 1.122 19 I CA 0.482 61.907 61.300 0.207 0.000 1.484 19 I CB 0.170 38.230 38.000 0.099 0.000 1.468 19 I HN -0.236 nan 8.210 nan 0.000 0.461 20 D N 1.105 121.564 120.400 0.097 0.000 2.369 20 D HA 0.183 4.823 4.640 -0.000 0.000 0.211 20 D C 0.310 176.655 176.300 0.076 0.000 1.077 20 D CA -0.009 54.045 54.000 0.089 0.000 0.842 20 D CB 0.391 41.213 40.800 0.037 0.000 0.947 20 D HN 0.003 nan 8.370 nan 0.000 0.509 21 L N 1.881 123.145 121.223 0.069 0.000 2.462 21 L HA 0.276 4.616 4.340 -0.000 0.000 0.272 21 L C -2.472 174.490 176.870 0.155 0.000 1.166 21 L CA -1.127 53.728 54.840 0.025 0.000 0.880 21 L CB 0.526 42.520 42.059 -0.108 0.000 1.142 21 L HN -0.271 nan 8.230 nan 0.000 0.473 22 P HA 0.245 nan 4.420 nan 0.000 0.274 22 P C -1.012 176.369 177.300 0.134 0.000 1.291 22 P CA -0.093 63.078 63.100 0.118 0.000 0.815 22 P CB 0.806 32.546 31.700 0.066 0.000 0.897 23 A N 6.251 129.179 122.820 0.179 0.000 2.269 23 A HA 0.696 5.016 4.320 -0.000 0.000 0.319 23 A C -2.462 175.148 177.584 0.044 0.000 1.110 23 A CA -2.171 49.918 52.037 0.086 0.000 0.847 23 A CB -0.242 18.747 19.000 -0.019 0.000 1.161 23 A HN 0.285 nan 8.150 nan 0.000 0.497 24 P HA 0.055 nan 4.420 nan 0.000 0.269 24 P C 0.760 178.060 177.300 -0.000 0.000 1.209 24 P CA 0.294 63.354 63.100 -0.068 0.000 0.776 24 P CB 0.696 32.286 31.700 -0.182 0.000 0.876 25 S N 0.900 116.585 115.700 -0.026 0.000 2.653 25 S HA -0.107 4.363 4.470 -0.000 0.000 0.233 25 S C 1.065 175.636 174.600 -0.048 0.000 0.970 25 S CA 0.964 59.130 58.200 -0.057 0.000 0.947 25 S CB -0.920 62.219 63.200 -0.101 0.000 0.771 25 S HN 0.637 nan 8.310 nan 0.000 0.538 26 N N 0.418 119.100 118.700 -0.029 0.000 2.182 26 N HA 0.049 4.789 4.740 -0.000 0.000 0.262 26 N C 0.222 175.595 175.510 -0.229 0.000 1.063 26 N CA 0.254 53.234 53.050 -0.118 0.000 0.787 26 N CB 0.143 38.550 38.487 -0.133 0.000 1.699 26 N HN 0.508 nan 8.380 nan 0.000 0.616 27 I N 2.768 123.081 120.570 -0.428 0.000 2.993 27 I HA 0.079 4.249 4.170 -0.000 0.000 0.301 27 I C 0.497 176.430 176.117 -0.306 0.000 1.229 27 I CA -0.070 60.736 61.300 -0.823 0.000 1.435 27 I CB 0.573 37.774 38.000 -1.331 0.000 1.328 27 I HN 0.154 nan 8.210 nan 0.000 0.584 28 S N 2.254 117.863 115.700 -0.152 0.000 2.751 28 S HA 0.453 4.923 4.470 -0.000 0.000 0.310 28 S C 0.837 175.626 174.600 0.315 0.000 1.128 28 S CA -0.238 58.047 58.200 0.141 0.000 0.931 28 S CB 1.304 64.628 63.200 0.206 0.000 1.177 28 S HN 0.724 nan 8.310 nan 0.000 0.530 29 S N 0.111 115.901 115.700 0.150 0.000 2.399 29 S HA -0.211 4.259 4.470 -0.000 0.000 0.235 29 S C 1.125 175.746 174.600 0.035 0.000 1.063 29 S CA 2.239 60.435 58.200 -0.007 0.000 1.070 29 S CB -0.856 62.229 63.200 -0.191 0.000 0.904 29 S HN 0.784 nan 8.310 nan 0.000 0.456 30 W N 0.440 121.973 121.300 0.389 0.000 2.436 30 W HA -0.050 4.610 4.660 -0.000 0.000 0.261 30 W C 1.862 178.513 176.519 0.219 0.000 1.222 30 W CA -0.100 57.487 57.345 0.403 0.000 1.191 30 W CB -0.376 29.267 29.460 0.304 0.000 1.132 30 W HN 0.400 nan 8.180 nan 0.000 0.596 31 W N -0.354 121.094 121.300 0.247 0.000 2.812 31 W HA -0.010 4.650 4.660 0.000 0.000 0.263 31 W C 1.548 178.143 176.519 0.127 0.000 1.284 31 W CA 0.118 57.568 57.345 0.174 0.000 1.430 31 W CB -0.549 28.945 29.460 0.057 0.000 1.088 31 W HN -0.144 nan 8.180 nan 0.000 0.623 32 N N 0.777 119.553 118.700 0.127 0.000 2.430 32 N HA -0.154 4.586 4.740 -0.000 0.000 0.186 32 N C 1.224 176.615 175.510 -0.199 0.000 1.032 32 N CA 1.204 54.198 53.050 -0.092 0.000 0.893 32 N CB -0.547 37.768 38.487 -0.286 0.000 0.957 32 N HN 0.107 nan 8.380 nan 0.000 0.442 33 F N 0.947 121.012 119.950 0.191 0.000 2.259 33 F HA 0.032 4.559 4.527 -0.000 0.000 0.298 33 F C 2.563 178.406 175.800 0.072 0.000 1.088 33 F CA 0.678 58.777 58.000 0.165 0.000 1.358 33 F CB -1.007 38.154 39.000 0.268 0.000 1.040 33 F HN 0.005 nan 8.300 nan 0.000 0.505 34 G N 0.165 109.162 108.800 0.329 0.000 2.553 34 G HA2 -0.361 3.599 3.960 -0.000 0.000 0.218 34 G HA3 -0.361 3.599 3.960 -0.000 0.000 0.218 34 G C 1.835 176.768 174.900 0.054 0.000 1.195 34 G CA 1.703 46.909 45.100 0.177 0.000 0.779 34 G HN 0.448 nan 8.290 nan 0.000 0.577 35 S N 0.584 116.339 115.700 0.091 0.000 2.383 35 S HA 0.049 4.519 4.470 -0.000 0.000 0.227 35 S C 2.366 176.938 174.600 -0.046 0.000 1.026 35 S CA 1.191 59.416 58.200 0.042 0.000 0.981 35 S CB -0.380 62.880 63.200 0.100 0.000 0.818 35 S HN 0.296 nan 8.310 nan 0.000 0.472 36 L N 0.719 121.905 121.223 -0.061 0.000 2.141 36 L HA 0.044 4.384 4.340 -0.000 0.000 0.209 36 L C 2.506 179.261 176.870 -0.192 0.000 1.094 36 L CA 0.705 55.484 54.840 -0.101 0.000 0.763 36 L CB -0.709 41.306 42.059 -0.073 0.000 0.908 36 L HN 0.269 nan 8.230 nan 0.000 0.437 37 L N -0.210 120.883 121.223 -0.215 0.000 2.042 37 L HA -0.164 4.176 4.340 -0.000 0.000 0.210 37 L C 2.709 179.299 176.870 -0.467 0.000 1.076 37 L CA 1.584 56.164 54.840 -0.433 0.000 0.749 37 L CB -1.208 40.641 42.059 -0.349 0.000 0.893 37 L HN 0.309 nan 8.230 nan 0.000 0.432 38 G N 0.271 108.923 108.800 -0.246 0.000 2.433 38 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.216 38 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.216 38 G C 1.567 176.348 174.900 -0.199 0.000 1.186 38 G CA 0.918 45.911 45.100 -0.177 0.000 0.779 38 G HN 0.305 nan 8.290 nan 0.000 0.543 39 I N 0.384 120.845 120.570 -0.182 0.000 2.335 39 I HA -0.201 3.969 4.170 -0.000 0.000 0.251 39 I C 2.755 178.750 176.117 -0.204 0.000 1.129 39 I CA 0.543 61.751 61.300 -0.154 0.000 1.402 39 I CB -0.225 37.709 38.000 -0.111 0.000 1.069 39 I HN 0.190 nan 8.210 nan 0.000 0.424 40 C N -0.171 118.912 119.300 -0.361 0.000 2.446 40 C HA -0.116 4.344 4.460 -0.000 0.000 0.277 40 C C 2.695 177.428 174.990 -0.430 0.000 1.275 40 C CA 0.373 59.086 59.018 -0.509 0.000 1.727 40 C CB -0.821 26.316 27.740 -1.005 0.000 2.010 40 C HN 0.490 nan 8.230 nan 0.000 0.486 41 L N 1.913 122.878 121.223 -0.430 0.000 2.056 41 L HA -0.055 4.285 4.340 -0.000 0.000 0.207 41 L C 2.154 179.011 176.870 -0.022 0.000 1.078 41 L CA 2.038 56.837 54.840 -0.069 0.000 0.749 41 L CB -0.680 41.365 42.059 -0.024 0.000 0.901 41 L HN 0.521 nan 8.230 nan 0.000 0.433 42 I N -3.785 116.753 120.570 -0.052 0.000 2.480 42 I HA -0.099 4.071 4.170 -0.000 0.000 0.251 42 I C 2.359 178.478 176.117 0.003 0.000 1.124 42 I CA 1.143 62.438 61.300 -0.009 0.000 1.444 42 I CB -0.790 37.208 38.000 -0.004 0.000 1.098 42 I HN 0.182 nan 8.210 nan 0.000 0.428 43 L N 0.581 121.789 121.223 -0.025 0.000 2.079 43 L HA -0.210 4.130 4.340 -0.000 0.000 0.210 43 L C 2.601 179.504 176.870 0.055 0.000 1.081 43 L CA 1.655 56.492 54.840 -0.005 0.000 0.752 43 L CB -0.446 41.594 42.059 -0.032 0.000 0.896 43 L HN 0.294 nan 8.230 nan 0.000 0.433 44 Q N -0.340 119.498 119.800 0.063 0.000 2.172 44 Q HA -0.111 4.229 4.340 -0.000 0.000 0.200 44 Q C 2.292 178.381 176.000 0.148 0.000 0.964 44 Q CA 1.669 57.553 55.803 0.134 0.000 0.855 44 Q CB -0.174 28.636 28.738 0.120 0.000 0.918 44 Q HN 0.622 nan 8.270 nan 0.000 0.444 45 I N -0.062 120.538 120.570 0.049 0.000 2.252 45 I HA -0.260 3.910 4.170 -0.000 0.000 0.245 45 I C 1.803 177.970 176.117 0.083 0.000 1.102 45 I CA 0.528 61.832 61.300 0.008 0.000 1.385 45 I CB -0.102 37.907 38.000 0.016 0.000 1.064 45 I HN 0.134 nan 8.210 nan 0.000 0.414 46 L N 0.274 121.565 121.223 0.113 0.000 1.988 46 L HA -0.181 4.159 4.340 -0.000 0.000 0.207 46 L C 2.897 179.887 176.870 0.200 0.000 1.071 46 L CA 2.549 57.489 54.840 0.167 0.000 0.744 46 L CB -1.472 40.627 42.059 0.066 0.000 0.893 46 L HN 0.407 nan 8.230 nan 0.000 0.433 47 T N -3.602 111.021 114.554 0.115 0.000 2.708 47 T HA -0.113 4.237 4.350 -0.000 0.000 0.266 47 T C 2.040 176.723 174.700 -0.028 0.000 1.037 47 T CA 0.986 63.144 62.100 0.097 0.000 1.146 47 T CB -1.360 67.602 68.868 0.157 0.000 0.865 47 T HN 0.309 nan 8.240 nan 0.000 0.435 48 G N 1.754 110.464 108.800 -0.151 0.000 2.505 48 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.220 48 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.220 48 G C 1.473 176.232 174.900 -0.236 0.000 1.145 48 G CA 1.190 46.016 45.100 -0.456 0.000 0.761 48 G HN 0.484 nan 8.290 nan 0.000 0.571 49 L N -0.653 120.528 121.223 -0.070 0.000 1.994 49 L HA 0.095 4.435 4.340 -0.000 0.000 0.208 49 L C 2.607 179.502 176.870 0.042 0.000 1.071 49 L CA 1.678 56.508 54.840 -0.016 0.000 0.745 49 L CB -0.499 41.603 42.059 0.071 0.000 0.892 49 L HN 0.194 nan 8.230 nan 0.000 0.431 50 F N -0.792 119.152 119.950 -0.010 0.000 2.269 50 F HA -0.181 4.346 4.527 -0.000 0.000 0.301 50 F C 2.194 178.064 175.800 0.117 0.000 1.082 50 F CA 1.130 59.160 58.000 0.050 0.000 1.360 50 F CB -0.523 38.498 39.000 0.035 0.000 1.041 50 F HN 0.040 nan 8.300 nan 0.000 0.512 51 L N -0.793 120.540 121.223 0.183 0.000 2.056 51 L HA -0.189 4.151 4.340 -0.000 0.000 0.207 51 L C 2.685 179.654 176.870 0.166 0.000 1.078 51 L CA 1.173 56.084 54.840 0.118 0.000 0.749 51 L CB -1.101 40.900 42.059 -0.098 0.000 0.901 51 L HN 0.114 nan 8.230 nan 0.000 0.433 52 A N -0.269 122.629 122.820 0.131 0.000 2.070 52 A HA -0.184 4.136 4.320 -0.000 0.000 0.220 52 A C 2.227 179.945 177.584 0.223 0.000 1.159 52 A CA 1.307 53.521 52.037 0.295 0.000 0.656 52 A CB -0.490 18.717 19.000 0.345 0.000 0.800 52 A HN 0.390 nan 8.150 nan 0.000 0.453 53 M N -1.184 118.437 119.600 0.035 0.000 2.549 53 M HA -0.081 4.399 4.480 -0.000 0.000 0.260 53 M C 1.199 177.239 176.300 -0.433 0.000 1.076 53 M CA 1.040 56.203 55.300 -0.228 0.000 1.090 53 M CB -0.274 32.076 32.600 -0.416 0.000 1.418 53 M HN 0.540 nan 8.290 nan 0.000 0.486 54 H N -3.222 115.919 119.070 0.119 0.000 3.207 54 H HA 0.135 4.691 4.556 -0.000 0.000 0.237 54 H C -0.019 175.382 175.328 0.122 0.000 0.959 54 H CA -0.277 55.851 56.048 0.134 0.000 1.091 54 H CB 0.079 29.920 29.762 0.131 0.000 1.447 54 H HN 0.214 nan 8.280 nan 0.000 0.477 55 Y N 4.219 124.564 120.300 0.076 0.000 2.578 55 Y HA 0.180 4.730 4.550 0.000 0.000 0.339 55 Y C 0.262 176.050 175.900 -0.187 0.000 1.231 55 Y CA 0.007 58.057 58.100 -0.083 0.000 1.461 55 Y CB 0.652 39.005 38.460 -0.179 0.000 1.323 55 Y HN -0.005 nan 8.280 nan 0.000 0.590 56 T N 0.997 114.859 114.554 -1.153 0.000 2.893 56 T HA 0.381 4.731 4.350 -0.000 0.000 0.291 56 T C 0.078 173.912 174.700 -1.444 0.000 1.028 56 T CA -0.393 61.098 62.100 -1.015 0.000 0.995 56 T CB 1.362 69.927 68.868 -0.504 0.000 1.051 56 T HN 0.621 nan 8.240 nan 0.000 0.470 57 S N -0.247 114.935 115.700 -0.864 0.000 2.574 57 S HA 0.205 4.675 4.470 -0.000 0.000 0.242 57 S C -0.155 174.222 174.600 -0.371 0.000 0.982 57 S CA -0.589 57.282 58.200 -0.549 0.000 0.977 57 S CB -0.213 62.861 63.200 -0.209 0.000 0.814 57 S HN 0.779 nan 8.310 nan 0.000 0.464 58 D N 1.725 121.892 120.400 -0.388 0.000 2.185 58 D HA 0.228 4.868 4.640 -0.000 0.000 0.247 58 D C 1.336 177.425 176.300 -0.352 0.000 1.027 58 D CA 0.068 53.874 54.000 -0.324 0.000 0.861 58 D CB 2.415 43.076 40.800 -0.231 0.000 1.202 58 D HN 0.244 nan 8.370 nan 0.000 0.453 59 T N -0.202 114.110 114.554 -0.403 0.000 2.746 59 T HA -0.193 4.157 4.350 -0.000 0.000 0.267 59 T C 1.619 176.242 174.700 -0.129 0.000 1.039 59 T CA 1.893 63.718 62.100 -0.458 0.000 1.142 59 T CB -0.718 67.926 68.868 -0.373 0.000 0.866 59 T HN 0.481 nan 8.240 nan 0.000 0.444 60 T N 0.471 114.969 114.554 -0.094 0.000 3.155 60 T HA 0.023 4.373 4.350 -0.000 0.000 0.264 60 T C 1.640 176.320 174.700 -0.033 0.000 1.160 60 T CA 1.246 63.324 62.100 -0.036 0.000 1.075 60 T CB -0.708 68.133 68.868 -0.045 0.000 0.921 60 T HN 0.755 nan 8.240 nan 0.000 0.533 61 T N -3.193 111.320 114.554 -0.069 0.000 3.046 61 T HA 0.589 4.939 4.350 -0.000 0.000 0.270 61 T C 2.024 176.680 174.700 -0.074 0.000 0.920 61 T CA 0.211 62.268 62.100 -0.073 0.000 0.874 61 T CB -0.296 68.492 68.868 -0.133 0.000 1.214 61 T HN 0.286 nan 8.240 nan 0.000 0.536 62 A N 1.121 123.885 122.820 -0.093 0.000 1.933 62 A HA 0.176 4.496 4.320 -0.000 0.000 0.218 62 A C 1.818 179.480 177.584 0.130 0.000 1.175 62 A CA 1.075 53.056 52.037 -0.093 0.000 0.628 62 A CB -0.993 17.930 19.000 -0.128 0.000 0.814 62 A HN 0.428 nan 8.150 nan 0.000 0.444 63 F N 0.366 120.368 119.950 0.087 0.000 2.075 63 F HA -0.140 4.387 4.527 -0.000 0.000 0.297 63 F C 2.835 178.673 175.800 0.063 0.000 1.113 63 F CA 1.942 60.003 58.000 0.101 0.000 1.218 63 F CB -0.317 38.750 39.000 0.112 0.000 0.984 63 F HN 0.220 nan 8.300 nan 0.000 0.472 64 S N -0.648 115.208 115.700 0.260 0.000 2.399 64 S HA -0.191 4.279 4.470 -0.000 0.000 0.231 64 S C 2.296 176.952 174.600 0.093 0.000 1.022 64 S CA 1.398 59.701 58.200 0.172 0.000 0.983 64 S CB -0.664 62.606 63.200 0.116 0.000 0.803 64 S HN 0.608 nan 8.310 nan 0.000 0.480 65 S N 0.691 116.416 115.700 0.041 0.000 2.368 65 S HA -0.063 4.407 4.470 -0.000 0.000 0.225 65 S C 1.815 176.490 174.600 0.125 0.000 1.030 65 S CA 1.374 59.612 58.200 0.062 0.000 0.999 65 S CB -0.793 62.361 63.200 -0.077 0.000 0.844 65 S HN 0.351 nan 8.310 nan 0.000 0.459 66 V N 2.695 122.632 119.914 0.037 0.000 2.379 66 V HA -0.137 3.983 4.120 -0.000 0.000 0.245 66 V C 2.907 178.952 176.094 -0.083 0.000 1.044 66 V CA 2.009 64.287 62.300 -0.037 0.000 1.036 66 V CB -1.790 29.942 31.823 -0.151 0.000 0.664 66 V HN 0.662 nan 8.190 nan 0.000 0.453 67 T N -0.392 114.107 114.554 -0.090 0.000 2.635 67 T HA -0.338 4.012 4.350 -0.000 0.000 0.267 67 T C 1.835 176.568 174.700 0.055 0.000 1.040 67 T CA 2.066 64.157 62.100 -0.015 0.000 1.156 67 T CB -0.742 68.158 68.868 0.054 0.000 0.863 67 T HN 0.674 nan 8.240 nan 0.000 0.430 68 H N 1.491 120.563 119.070 0.005 0.000 2.325 68 H HA -0.137 4.419 4.556 -0.000 0.000 0.293 68 H C 2.231 177.559 175.328 0.000 0.000 1.106 68 H CA 1.944 58.000 56.048 0.012 0.000 1.247 68 H CB -0.433 29.337 29.762 0.015 0.000 1.359 68 H HN 0.367 nan 8.280 nan 0.000 0.488 69 I N 0.411 120.856 120.570 -0.208 0.000 2.099 69 I HA -0.361 3.809 4.170 -0.000 0.000 0.239 69 I C 3.094 179.122 176.117 -0.149 0.000 1.066 69 I CA 1.509 62.649 61.300 -0.267 0.000 1.324 69 I CB -0.374 37.556 38.000 -0.116 0.000 1.037 69 I HN 0.382 nan 8.210 nan 0.000 0.401 70 C N 0.287 119.567 119.300 -0.033 0.000 2.429 70 C HA -0.126 4.334 4.460 -0.000 0.000 0.277 70 C C 2.812 177.890 174.990 0.147 0.000 1.262 70 C CA 0.894 59.985 59.018 0.121 0.000 1.733 70 C CB -1.384 26.447 27.740 0.151 0.000 2.010 70 C HN 0.445 nan 8.230 nan 0.000 0.483 71 R N 0.119 120.648 120.500 0.048 0.000 2.128 71 R HA 0.049 4.389 4.340 -0.000 0.000 0.211 71 R C 1.383 177.688 176.300 0.009 0.000 1.067 71 R CA 0.924 57.045 56.100 0.034 0.000 1.010 71 R CB -0.080 30.244 30.300 0.040 0.000 0.922 71 R HN 0.504 nan 8.270 nan 0.000 0.457 72 D N 0.018 120.389 120.400 -0.050 0.000 2.725 72 D HA 0.045 4.685 4.640 -0.000 0.000 0.269 72 D C 0.210 176.435 176.300 -0.125 0.000 1.018 72 D CA 0.351 54.314 54.000 -0.061 0.000 0.956 72 D CB 0.117 40.923 40.800 0.010 0.000 1.141 72 D HN -0.180 nan 8.370 nan 0.000 0.478 73 V N 3.405 123.136 119.914 -0.305 0.000 2.486 73 V HA -0.101 4.019 4.120 -0.000 0.000 0.290 73 V C 0.330 176.338 176.094 -0.144 0.000 0.991 73 V CA 0.158 62.268 62.300 -0.318 0.000 1.142 73 V CB -1.111 30.342 31.823 -0.616 0.000 0.926 73 V HN 0.116 nan 8.190 nan 0.000 0.472 74 N N 5.597 124.260 118.700 -0.062 0.000 2.315 74 N HA -0.030 4.710 4.740 -0.000 0.000 0.270 74 N C 0.077 175.628 175.510 0.068 0.000 1.329 74 N CA 0.116 53.159 53.050 -0.012 0.000 0.860 74 N CB -0.202 38.348 38.487 0.106 0.000 1.095 74 N HN 0.763 nan 8.380 nan 0.000 0.487 75 Y N -0.891 119.344 120.300 -0.110 0.000 4.753 75 Y HA -0.272 4.278 4.550 -0.000 0.000 0.232 75 Y C 1.844 177.489 175.900 -0.425 0.000 1.029 75 Y CA 0.542 58.387 58.100 -0.425 0.000 1.996 75 Y CB -1.894 36.349 38.460 -0.362 0.000 1.602 75 Y HN 0.783 nan 8.280 nan 0.000 0.621 76 G N 0.537 109.276 108.800 -0.102 0.000 2.462 76 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.220 76 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.220 76 G C 1.357 176.248 174.900 -0.016 0.000 1.121 76 G CA 1.034 46.075 45.100 -0.098 0.000 0.758 76 G HN 0.786 nan 8.290 nan 0.000 0.559 77 W N 1.877 123.188 121.300 0.019 0.000 2.380 77 W HA -0.064 4.596 4.660 -0.000 0.000 0.317 77 W C 2.127 178.758 176.519 0.187 0.000 1.196 77 W CA 1.171 58.590 57.345 0.122 0.000 1.307 77 W CB -1.325 28.252 29.460 0.195 0.000 1.157 77 W HN 0.315 nan 8.180 nan 0.000 0.483 78 I N 0.838 121.146 120.570 -0.437 0.000 2.142 78 I HA -0.239 3.931 4.170 -0.000 0.000 0.240 78 I C 2.591 178.640 176.117 -0.113 0.000 1.078 78 I CA 1.759 62.876 61.300 -0.305 0.000 1.343 78 I CB -1.364 36.275 38.000 -0.601 0.000 1.046 78 I HN -0.187 nan 8.210 nan 0.000 0.405 79 I N 0.379 120.846 120.570 -0.171 0.000 2.399 79 I HA -0.255 3.915 4.170 -0.000 0.000 0.254 79 I C 2.732 178.839 176.117 -0.017 0.000 1.146 79 I CA 1.430 62.677 61.300 -0.089 0.000 1.412 79 I CB -0.443 37.507 38.000 -0.084 0.000 1.076 79 I HN 0.298 nan 8.210 nan 0.000 0.432 80 R N -0.382 120.092 120.500 -0.045 0.000 2.103 80 R HA -0.056 4.284 4.340 -0.000 0.000 0.212 80 R C 2.252 178.485 176.300 -0.112 0.000 1.107 80 R CA 1.121 57.152 56.100 -0.115 0.000 1.025 80 R CB -0.336 29.796 30.300 -0.281 0.000 0.929 80 R HN 0.225 nan 8.270 nan 0.000 0.456 81 Y N 0.777 121.170 120.300 0.155 0.000 2.373 81 Y HA -0.010 4.540 4.550 -0.000 0.000 0.293 81 Y C 2.480 178.460 175.900 0.134 0.000 1.129 81 Y CA 1.044 59.242 58.100 0.163 0.000 1.226 81 Y CB -0.309 38.272 38.460 0.201 0.000 1.000 81 Y HN -0.022 nan 8.280 nan 0.000 0.549 82 M N -1.072 118.654 119.600 0.211 0.000 2.080 82 M HA -0.298 4.182 4.480 -0.000 0.000 0.260 82 M C 2.125 178.505 176.300 0.134 0.000 1.068 82 M CA 2.129 57.508 55.300 0.132 0.000 1.109 82 M CB -0.630 32.005 32.600 0.057 0.000 1.342 82 M HN 0.373 nan 8.290 nan 0.000 0.405 83 H N -0.001 119.101 119.070 0.054 0.000 2.357 83 H HA -0.010 4.546 4.556 -0.000 0.000 0.301 83 H C 1.884 177.275 175.328 0.104 0.000 1.082 83 H CA 2.126 58.210 56.048 0.059 0.000 1.342 83 H CB 0.063 29.839 29.762 0.024 0.000 1.389 83 H HN 0.342 nan 8.280 nan 0.000 0.511 84 A N 0.233 123.121 122.820 0.113 0.000 1.897 84 A HA -0.137 4.183 4.320 -0.000 0.000 0.215 84 A C 2.204 179.894 177.584 0.177 0.000 1.181 84 A CA 1.464 53.583 52.037 0.137 0.000 0.620 84 A CB -0.248 18.870 19.000 0.197 0.000 0.821 84 A HN 0.467 nan 8.150 nan 0.000 0.443 85 N N 0.262 119.083 118.700 0.201 0.000 2.171 85 N HA -0.081 4.659 4.740 -0.000 0.000 0.184 85 N C 1.930 177.547 175.510 0.177 0.000 1.021 85 N CA 1.312 54.487 53.050 0.209 0.000 0.854 85 N CB -0.927 37.681 38.487 0.202 0.000 0.994 85 N HN 0.429 nan 8.380 nan 0.000 0.426 86 G N 1.010 109.878 108.800 0.114 0.000 2.597 86 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.222 86 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.222 86 G C 1.610 176.590 174.900 0.133 0.000 1.135 86 G CA 1.695 46.844 45.100 0.081 0.000 0.759 86 G HN 0.490 nan 8.290 nan 0.000 0.595 87 A N 0.242 123.126 122.820 0.107 0.000 1.873 87 A HA 0.093 4.413 4.320 -0.000 0.000 0.215 87 A C 2.732 180.461 177.584 0.242 0.000 1.186 87 A CA 2.206 54.324 52.037 0.136 0.000 0.616 87 A CB -0.551 18.488 19.000 0.065 0.000 0.823 87 A HN 0.342 nan 8.150 nan 0.000 0.442 88 S N -0.371 115.540 115.700 0.352 0.000 2.383 88 S HA -0.119 4.351 4.470 -0.000 0.000 0.227 88 S C 2.024 176.950 174.600 0.543 0.000 1.026 88 S CA 1.525 60.082 58.200 0.596 0.000 0.981 88 S CB -0.305 63.374 63.200 0.797 0.000 0.818 88 S HN 0.440 nan 8.310 nan 0.000 0.472 89 M N 0.436 120.252 119.600 0.359 0.000 2.117 89 M HA -0.019 4.461 4.480 -0.000 0.000 0.262 89 M C 1.857 178.296 176.300 0.232 0.000 1.065 89 M CA 1.239 56.697 55.300 0.264 0.000 1.114 89 M CB -1.399 31.304 32.600 0.172 0.000 1.361 89 M HN 0.278 nan 8.290 nan 0.000 0.408 90 F N 0.309 120.274 119.950 0.025 0.000 2.161 90 F HA -0.221 4.306 4.527 -0.000 0.000 0.300 90 F C 2.012 177.623 175.800 -0.315 0.000 1.089 90 F CA 1.330 59.244 58.000 -0.144 0.000 1.282 90 F CB -0.628 38.245 39.000 -0.212 0.000 1.010 90 F HN -0.007 nan 8.300 nan 0.000 0.485 91 F N -0.612 119.325 119.950 -0.021 0.000 2.293 91 F HA -0.075 4.452 4.527 -0.000 0.000 0.297 91 F C 2.276 178.012 175.800 -0.107 0.000 1.089 91 F CA 0.949 58.757 58.000 -0.319 0.000 1.377 91 F CB -0.666 37.909 39.000 -0.709 0.000 1.051 91 F HN -0.148 nan 8.300 nan 0.000 0.511 92 I N -1.165 119.635 120.570 0.382 0.000 2.315 92 I HA -0.317 3.853 4.170 -0.000 0.000 0.248 92 I C 2.275 178.474 176.117 0.136 0.000 1.117 92 I CA 0.889 62.403 61.300 0.357 0.000 1.404 92 I CB -0.500 37.694 38.000 0.325 0.000 1.071 92 I HN 0.188 nan 8.210 nan 0.000 0.419 93 C N 0.162 119.532 119.300 0.118 0.000 2.453 93 C HA -0.112 4.348 4.460 -0.000 0.000 0.277 93 C C 2.705 177.690 174.990 -0.009 0.000 1.262 93 C CA 0.379 59.454 59.018 0.094 0.000 1.718 93 C CB -0.981 26.871 27.740 0.186 0.000 2.031 93 C HN 0.437 nan 8.230 nan 0.000 0.480 94 L N -0.335 120.829 121.223 -0.099 0.000 2.013 94 L HA -0.222 4.118 4.340 -0.000 0.000 0.212 94 L C 2.614 179.498 176.870 0.023 0.000 1.073 94 L CA 1.886 56.631 54.840 -0.158 0.000 0.753 94 L CB -0.644 41.111 42.059 -0.506 0.000 0.890 94 L HN 0.328 nan 8.230 nan 0.000 0.432 95 Y N -1.657 118.684 120.300 0.068 0.000 2.263 95 Y HA -0.200 4.350 4.550 -0.000 0.000 0.292 95 Y C 2.458 178.371 175.900 0.022 0.000 1.130 95 Y CA 0.881 59.022 58.100 0.068 0.000 1.179 95 Y CB -0.662 37.885 38.460 0.145 0.000 0.998 95 Y HN 0.130 nan 8.280 nan 0.000 0.532 96 M N -1.086 118.551 119.600 0.062 0.000 2.213 96 M HA -0.202 4.278 4.480 -0.000 0.000 0.263 96 M C 2.091 178.388 176.300 -0.005 0.000 1.062 96 M CA 1.678 56.902 55.300 -0.128 0.000 1.105 96 M CB -0.381 31.676 32.600 -0.906 0.000 1.385 96 M HN 0.310 nan 8.290 nan 0.000 0.417 97 H N -1.288 117.750 119.070 -0.053 0.000 2.372 97 H HA -0.007 4.549 4.556 0.000 0.000 0.301 97 H C 1.620 177.008 175.328 0.100 0.000 1.065 97 H CA 1.709 57.812 56.048 0.092 0.000 1.364 97 H CB 0.146 29.978 29.762 0.116 0.000 1.406 97 H HN 0.168 nan 8.280 nan 0.000 0.521 98 V N 0.042 120.068 119.914 0.187 0.000 2.667 98 V HA -0.082 4.038 4.120 -0.000 0.000 0.252 98 V C 2.629 178.826 176.094 0.171 0.000 1.065 98 V CA 1.323 63.703 62.300 0.132 0.000 1.083 98 V CB -1.008 30.864 31.823 0.082 0.000 0.692 98 V HN 0.660 nan 8.190 nan 0.000 0.468 99 G N 0.664 109.546 108.800 0.136 0.000 2.480 99 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.216 99 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.216 99 G C 1.714 176.641 174.900 0.046 0.000 1.200 99 G CA 0.970 46.142 45.100 0.121 0.000 0.782 99 G HN 0.349 nan 8.290 nan 0.000 0.554 100 R N 1.391 121.882 120.500 -0.014 0.000 2.091 100 R HA -0.075 4.265 4.340 -0.000 0.000 0.238 100 R C 2.679 178.995 176.300 0.027 0.000 1.136 100 R CA 2.121 58.193 56.100 -0.047 0.000 0.959 100 R CB -1.362 28.889 30.300 -0.082 0.000 0.856 100 R HN 0.309 nan 8.270 nan 0.000 0.437 101 G N 1.275 110.112 108.800 0.061 0.000 2.440 101 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.218 101 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.218 101 G C 1.680 176.753 174.900 0.289 0.000 1.154 101 G CA 0.669 45.908 45.100 0.233 0.000 0.767 101 G HN 0.366 nan 8.290 nan 0.000 0.552 102 L N -1.393 120.025 121.223 0.325 0.000 2.068 102 L HA 0.103 4.443 4.340 -0.000 0.000 0.204 102 L C 2.558 179.454 176.870 0.044 0.000 1.076 102 L CA 1.028 56.030 54.840 0.271 0.000 0.753 102 L CB -0.244 41.974 42.059 0.266 0.000 0.910 102 L HN 0.329 nan 8.230 nan 0.000 0.439 103 Y N -0.483 119.561 120.300 -0.426 0.000 2.128 103 Y HA -0.328 4.222 4.550 -0.000 0.000 0.284 103 Y C 1.783 177.289 175.900 -0.658 0.000 1.154 103 Y CA 2.011 59.515 58.100 -0.992 0.000 1.149 103 Y CB -0.244 37.284 38.460 -1.553 0.000 0.976 103 Y HN 0.177 nan 8.280 nan 0.000 0.505 104 Y N -0.188 120.044 120.300 -0.114 0.000 2.466 104 Y HA 0.266 4.816 4.550 -0.000 0.000 0.272 104 Y C 1.749 177.490 175.900 -0.266 0.000 1.169 104 Y CA 0.366 58.411 58.100 -0.090 0.000 1.285 104 Y CB 0.271 38.781 38.460 0.084 0.000 1.078 104 Y HN 0.287 nan 8.280 nan 0.000 0.523 105 G N -0.963 107.634 108.800 -0.339 0.000 2.136 105 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.242 105 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.242 105 G C 1.308 175.423 174.900 -1.307 0.000 0.989 105 G CA 0.605 45.111 45.100 -0.989 0.000 0.682 105 G HN 0.331 nan 8.290 nan 0.000 0.522 106 S N -0.264 114.957 115.700 -0.798 0.000 2.399 106 S HA -0.106 4.364 4.470 -0.000 0.000 0.231 106 S C 2.012 176.211 174.600 -0.670 0.000 1.022 106 S CA 1.905 59.744 58.200 -0.601 0.000 0.983 106 S CB -0.490 62.614 63.200 -0.160 0.000 0.803 106 S HN 0.974 nan 8.310 nan 0.000 0.480 107 Y N 2.805 122.708 120.300 -0.662 0.000 2.283 107 Y HA -0.218 4.332 4.550 -0.000 0.000 0.285 107 Y C 2.414 177.949 175.900 -0.610 0.000 1.176 107 Y CA 1.056 58.529 58.100 -1.046 0.000 1.229 107 Y CB -2.417 34.872 38.460 -1.952 0.000 0.975 107 Y HN 0.314 nan 8.280 nan 0.000 0.537 108 T N -1.393 112.730 114.554 -0.719 0.000 2.649 108 T HA -0.313 4.037 4.350 -0.000 0.000 0.268 108 T C 0.439 175.029 174.700 -0.183 0.000 1.036 108 T CA 1.139 62.955 62.100 -0.475 0.000 1.157 108 T CB -1.444 67.038 68.868 -0.644 0.000 0.861 108 T HN 0.196 nan 8.240 nan 0.000 0.445 109 F N 2.522 122.391 119.950 -0.135 0.000 2.504 109 F HA 0.324 4.851 4.527 -0.000 0.000 0.365 109 F C 1.431 177.235 175.800 0.007 0.000 1.140 109 F CA -1.609 56.369 58.000 -0.037 0.000 1.077 109 F CB -0.695 38.307 39.000 0.002 0.000 1.106 109 F HN 0.045 nan 8.300 nan 0.000 0.578 110 L N 1.746 123.074 121.223 0.175 0.000 2.007 110 L HA -0.158 4.182 4.340 -0.000 0.000 0.205 110 L C 1.905 178.840 176.870 0.108 0.000 1.073 110 L CA 1.456 56.369 54.840 0.122 0.000 0.744 110 L CB -0.285 41.814 42.059 0.067 0.000 0.898 110 L HN 0.433 nan 8.230 nan 0.000 0.435 111 E N -0.533 119.643 120.200 -0.039 0.000 2.204 111 E HA -0.143 4.207 4.350 -0.000 0.000 0.195 111 E C 1.935 178.389 176.600 -0.244 0.000 0.990 111 E CA 1.498 57.714 56.400 -0.307 0.000 0.821 111 E CB -0.315 28.880 29.700 -0.841 0.000 0.750 111 E HN 0.414 nan 8.360 nan 0.000 0.477 112 T N 0.447 114.988 114.554 -0.022 0.000 2.732 112 T HA -0.142 4.208 4.350 -0.000 0.000 0.261 112 T C 1.295 176.140 174.700 0.242 0.000 1.040 112 T CA 0.962 63.089 62.100 0.045 0.000 1.145 112 T CB -0.432 68.470 68.868 0.057 0.000 0.866 112 T HN 0.408 nan 8.240 nan 0.000 0.427 113 W N 2.835 124.210 121.300 0.125 0.000 2.355 113 W HA -0.139 4.521 4.660 0.000 0.000 0.309 113 W C 1.850 178.448 176.519 0.131 0.000 1.206 113 W CA 1.196 58.642 57.345 0.168 0.000 1.284 113 W CB -0.750 28.802 29.460 0.154 0.000 1.145 113 W HN 0.325 nan 8.180 nan 0.000 0.502 114 N N 0.416 119.310 118.700 0.322 0.000 2.094 114 N HA -0.246 4.494 4.740 -0.000 0.000 0.191 114 N C 1.673 177.207 175.510 0.041 0.000 1.023 114 N CA 1.907 55.038 53.050 0.134 0.000 0.857 114 N CB -0.314 38.244 38.487 0.119 0.000 1.013 114 N HN 0.017 nan 8.380 nan 0.000 0.426 115 I N 1.217 121.824 120.570 0.062 0.000 2.127 115 I HA -0.173 3.997 4.170 -0.000 0.000 0.241 115 I C 2.672 178.834 176.117 0.075 0.000 1.075 115 I CA 1.267 62.626 61.300 0.098 0.000 1.334 115 I CB -1.892 36.225 38.000 0.195 0.000 1.040 115 I HN 0.150 nan 8.210 nan 0.000 0.405 116 G N 0.537 109.435 108.800 0.163 0.000 2.469 116 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.220 116 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.220 116 G C 1.888 176.677 174.900 -0.186 0.000 1.136 116 G CA 1.112 46.181 45.100 -0.051 0.000 0.759 116 G HN 0.292 nan 8.290 nan 0.000 0.562 117 V N 1.381 121.150 119.914 -0.241 0.000 2.287 117 V HA -0.171 3.949 4.120 -0.000 0.000 0.248 117 V C 2.781 178.810 176.094 -0.109 0.000 1.053 117 V CA 1.303 63.474 62.300 -0.215 0.000 1.027 117 V CB -0.325 31.381 31.823 -0.195 0.000 0.646 117 V HN 0.294 nan 8.190 nan 0.000 0.447 118 I N -0.531 119.996 120.570 -0.072 0.000 2.335 118 I HA -0.231 3.939 4.170 -0.000 0.000 0.251 118 I C 2.316 178.390 176.117 -0.072 0.000 1.129 118 I CA 1.717 62.989 61.300 -0.047 0.000 1.402 118 I CB -0.914 37.075 38.000 -0.019 0.000 1.069 118 I HN 0.305 nan 8.210 nan 0.000 0.424 119 L N -0.291 120.867 121.223 -0.109 0.000 2.056 119 L HA -0.224 4.116 4.340 -0.000 0.000 0.207 119 L C 2.579 179.355 176.870 -0.156 0.000 1.078 119 L CA 0.940 55.692 54.840 -0.146 0.000 0.749 119 L CB -0.415 41.508 42.059 -0.227 0.000 0.901 119 L HN 0.224 nan 8.230 nan 0.000 0.433 120 L N -0.260 120.877 121.223 -0.144 0.000 2.005 120 L HA -0.206 4.134 4.340 -0.000 0.000 0.207 120 L C 2.375 179.207 176.870 -0.064 0.000 1.072 120 L CA 1.613 56.377 54.840 -0.127 0.000 0.744 120 L CB -0.307 41.707 42.059 -0.076 0.000 0.895 120 L HN 0.049 nan 8.230 nan 0.000 0.433 121 L N -0.579 120.626 121.223 -0.030 0.000 1.990 121 L HA -0.287 4.053 4.340 -0.000 0.000 0.213 121 L C 2.462 179.319 176.870 -0.021 0.000 1.072 121 L CA 2.249 57.087 54.840 -0.004 0.000 0.755 121 L CB -1.333 40.719 42.059 -0.011 0.000 0.889 121 L HN 0.329 nan 8.230 nan 0.000 0.432 122 T N -1.002 113.517 114.554 -0.058 0.000 2.665 122 T HA -0.242 4.108 4.350 -0.000 0.000 0.268 122 T C 1.865 176.502 174.700 -0.105 0.000 1.035 122 T CA 1.726 63.782 62.100 -0.074 0.000 1.151 122 T CB -0.453 68.367 68.868 -0.080 0.000 0.862 122 T HN 0.228 nan 8.240 nan 0.000 0.438 123 V N 0.513 120.311 119.914 -0.193 0.000 2.626 123 V HA -0.089 4.031 4.120 -0.000 0.000 0.252 123 V C 2.199 178.208 176.094 -0.140 0.000 1.067 123 V CA 1.524 63.617 62.300 -0.346 0.000 1.081 123 V CB -0.492 30.885 31.823 -0.744 0.000 0.686 123 V HN 0.467 nan 8.190 nan 0.000 0.468 124 M N -0.015 119.626 119.600 0.070 0.000 2.066 124 M HA -0.088 4.392 4.480 -0.000 0.000 0.259 124 M C 2.374 178.890 176.300 0.360 0.000 1.074 124 M CA 2.525 58.086 55.300 0.436 0.000 1.114 124 M CB -0.600 32.206 32.600 0.343 0.000 1.306 124 M HN 0.435 nan 8.290 nan 0.000 0.411 125 A N -0.562 122.361 122.820 0.172 0.000 1.927 125 A HA -0.230 4.090 4.320 -0.000 0.000 0.220 125 A C 2.137 179.821 177.584 0.167 0.000 1.185 125 A CA 2.553 54.690 52.037 0.166 0.000 0.639 125 A CB -1.413 17.612 19.000 0.041 0.000 0.820 125 A HN 0.556 nan 8.150 nan 0.000 0.451 126 T N -0.129 114.477 114.554 0.088 0.000 2.708 126 T HA 0.015 4.365 4.350 -0.000 0.000 0.266 126 T C 2.205 177.030 174.700 0.208 0.000 1.037 126 T CA 1.677 63.834 62.100 0.095 0.000 1.146 126 T CB -0.406 68.424 68.868 -0.065 0.000 0.865 126 T HN 0.630 nan 8.240 nan 0.000 0.435 127 A N 0.949 123.893 122.820 0.207 0.000 1.968 127 A HA 0.079 4.399 4.320 -0.000 0.000 0.217 127 A C 1.956 179.674 177.584 0.223 0.000 1.169 127 A CA 1.020 53.192 52.037 0.224 0.000 0.638 127 A CB -0.816 18.301 19.000 0.194 0.000 0.812 127 A HN 0.512 nan 8.150 nan 0.000 0.446 128 F N 0.302 120.340 119.950 0.147 0.000 2.026 128 F HA -0.221 4.306 4.527 -0.000 0.000 0.296 128 F C 2.108 177.671 175.800 -0.396 0.000 1.133 128 F CA 2.322 60.208 58.000 -0.190 0.000 1.188 128 F CB -0.682 38.359 39.000 0.069 0.000 0.968 128 F HN 0.185 nan 8.300 nan 0.000 0.476 129 M N 0.860 119.987 119.600 -0.787 0.000 2.146 129 M HA -0.195 4.285 4.480 -0.000 0.000 0.256 129 M C 2.344 178.338 176.300 -0.510 0.000 1.075 129 M CA 2.159 57.053 55.300 -0.676 0.000 1.082 129 M CB -1.130 31.257 32.600 -0.356 0.000 1.355 129 M HN 0.457 nan 8.290 nan 0.000 0.402 130 G N -0.424 108.052 108.800 -0.540 0.000 2.480 130 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.216 130 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.216 130 G C 1.105 175.863 174.900 -0.238 0.000 1.200 130 G CA 1.201 45.905 45.100 -0.661 0.000 0.782 130 G HN 0.703 nan 8.290 nan 0.000 0.554 131 Y N 0.584 120.852 120.300 -0.053 0.000 2.574 131 Y HA 0.189 4.739 4.550 -0.000 0.000 0.294 131 Y C 2.215 178.151 175.900 0.061 0.000 1.142 131 Y CA 0.456 58.571 58.100 0.025 0.000 1.314 131 Y CB -0.684 37.823 38.460 0.078 0.000 0.991 131 Y HN 0.022 nan 8.280 nan 0.000 0.555 132 V N 1.283 121.165 119.914 -0.055 0.000 2.515 132 V HA -0.267 3.853 4.120 -0.000 0.000 0.250 132 V C 2.475 178.721 176.094 0.254 0.000 1.058 132 V CA 1.619 63.983 62.300 0.107 0.000 1.064 132 V CB -0.613 31.240 31.823 0.049 0.000 0.675 132 V HN 0.537 nan 8.190 nan 0.000 0.461 133 L N 0.087 121.367 121.223 0.094 0.000 2.046 133 L HA -0.103 4.237 4.340 -0.000 0.000 0.208 133 L C -0.093 176.895 176.870 0.196 0.000 1.077 133 L CA 1.585 56.463 54.840 0.063 0.000 0.747 133 L CB -1.933 39.963 42.059 -0.272 0.000 0.896 133 L HN 0.398 nan 8.230 nan 0.000 0.432 134 P HA -0.195 nan 4.420 nan 0.000 0.230 134 P C 0.164 177.711 177.300 0.411 0.000 1.158 134 P CA 0.587 63.793 63.100 0.176 0.000 0.769 134 P CB -0.048 31.640 31.700 -0.020 0.000 0.807 135 W N -0.398 121.003 121.300 0.168 0.000 5.158 135 W HA -0.152 4.508 4.660 -0.000 0.000 0.393 135 W C 0.201 176.896 176.519 0.292 0.000 1.508 135 W CA -0.186 57.278 57.345 0.198 0.000 0.901 135 W CB -1.337 28.221 29.460 0.164 0.000 2.676 135 W HN -0.040 nan 8.180 nan 0.000 1.392 136 G N 0.631 109.632 108.800 0.334 0.000 2.535 136 G HA2 0.132 4.092 3.960 -0.000 0.000 0.282 136 G HA3 0.132 4.092 3.960 -0.000 0.000 0.282 136 G C 0.592 175.537 174.900 0.076 0.000 1.350 136 G CA 0.119 45.379 45.100 0.266 0.000 1.039 136 G HN 0.258 nan 8.290 nan 0.000 0.509 137 Q N -1.029 118.849 119.800 0.131 0.000 2.079 137 Q HA -0.039 4.301 4.340 -0.000 0.000 0.200 137 Q C 2.480 178.636 176.000 0.259 0.000 0.974 137 Q CA 0.766 56.668 55.803 0.166 0.000 0.840 137 Q CB -0.183 28.687 28.738 0.221 0.000 0.898 137 Q HN 0.541 nan 8.270 nan 0.000 0.430 138 M N 0.266 120.008 119.600 0.235 0.000 2.229 138 M HA -0.121 4.359 4.480 -0.000 0.000 0.264 138 M C 1.977 178.469 176.300 0.320 0.000 1.063 138 M CA 1.028 56.474 55.300 0.244 0.000 1.114 138 M CB -0.092 32.588 32.600 0.133 0.000 1.387 138 M HN 0.073 nan 8.290 nan 0.000 0.420 139 S N 0.582 116.444 115.700 0.271 0.000 2.351 139 S HA -0.192 4.278 4.470 -0.000 0.000 0.220 139 S C 1.605 176.193 174.600 -0.020 0.000 1.035 139 S CA 1.579 59.911 58.200 0.219 0.000 1.031 139 S CB -0.713 62.596 63.200 0.181 0.000 0.928 139 S HN 0.501 nan 8.310 nan 0.000 0.433 140 F N 1.023 120.680 119.950 -0.488 0.000 2.051 140 F HA -0.135 4.392 4.527 -0.000 0.000 0.296 140 F C 1.923 177.349 175.800 -0.624 0.000 1.122 140 F CA 1.588 59.046 58.000 -0.903 0.000 1.201 140 F CB -0.469 37.714 39.000 -1.362 0.000 0.978 140 F HN 0.244 nan 8.300 nan 0.000 0.472 141 W N 0.196 121.596 121.300 0.166 0.000 2.519 141 W HA 0.091 4.751 4.660 -0.000 0.000 0.266 141 W C 2.501 179.109 176.519 0.147 0.000 1.253 141 W CA 0.656 58.087 57.345 0.143 0.000 1.274 141 W CB -1.370 28.174 29.460 0.140 0.000 1.114 141 W HN 0.131 nan 8.180 nan 0.000 0.596 142 G N 1.282 110.290 108.800 0.348 0.000 2.545 142 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.217 142 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.217 142 G C 1.726 176.909 174.900 0.472 0.000 1.218 142 G CA 2.039 47.414 45.100 0.460 0.000 0.787 142 G HN 0.312 nan 8.290 nan 0.000 0.571 143 A N -0.198 122.806 122.820 0.307 0.000 1.969 143 A HA 0.062 4.382 4.320 -0.000 0.000 0.218 143 A C 2.534 180.316 177.584 0.329 0.000 1.169 143 A CA 2.397 54.646 52.037 0.354 0.000 0.635 143 A CB -0.785 18.163 19.000 -0.086 0.000 0.810 143 A HN 0.366 nan 8.150 nan 0.000 0.445 144 T N -0.155 114.448 114.554 0.081 0.000 2.614 144 T HA -0.136 4.214 4.350 -0.000 0.000 0.263 144 T C 1.878 176.825 174.700 0.411 0.000 1.055 144 T CA 1.785 64.047 62.100 0.271 0.000 1.162 144 T CB -0.701 68.260 68.868 0.155 0.000 0.863 144 T HN 0.139 nan 8.240 nan 0.000 0.414 145 V N 1.513 121.610 119.914 0.304 0.000 2.358 145 V HA -0.093 4.027 4.120 -0.000 0.000 0.246 145 V C 2.534 178.690 176.094 0.102 0.000 1.047 145 V CA 1.295 63.724 62.300 0.215 0.000 1.035 145 V CB -0.717 31.217 31.823 0.185 0.000 0.658 145 V HN 0.450 nan 8.190 nan 0.000 0.452 146 I N -0.001 120.592 120.570 0.038 0.000 2.163 146 I HA -0.224 3.946 4.170 -0.000 0.000 0.240 146 I C 2.609 178.678 176.117 -0.081 0.000 1.081 146 I CA 1.905 63.101 61.300 -0.173 0.000 1.353 146 I CB -0.899 36.707 38.000 -0.655 0.000 1.054 146 I HN 0.313 nan 8.210 nan 0.000 0.407 147 T N 0.962 115.571 114.554 0.091 0.000 2.665 147 T HA -0.183 4.167 4.350 -0.000 0.000 0.268 147 T C 1.730 176.336 174.700 -0.157 0.000 1.035 147 T CA 1.475 63.574 62.100 -0.002 0.000 1.151 147 T CB -0.390 68.485 68.868 0.012 0.000 0.862 147 T HN 0.273 nan 8.240 nan 0.000 0.438 148 N N 1.110 119.757 118.700 -0.088 0.000 2.334 148 N HA -0.027 4.713 4.740 -0.000 0.000 0.187 148 N C 1.780 177.252 175.510 -0.063 0.000 1.016 148 N CA 0.596 53.590 53.050 -0.094 0.000 0.879 148 N CB -0.444 38.093 38.487 0.082 0.000 0.965 148 N HN 0.401 nan 8.380 nan 0.000 0.438 149 L N 0.686 121.877 121.223 -0.054 0.000 2.089 149 L HA -0.205 4.135 4.340 -0.000 0.000 0.213 149 L C 2.039 178.870 176.870 -0.064 0.000 1.079 149 L CA 1.024 55.830 54.840 -0.057 0.000 0.758 149 L CB -0.477 41.535 42.059 -0.078 0.000 0.891 149 L HN 0.181 nan 8.230 nan 0.000 0.433 150 L N -0.787 120.384 121.223 -0.087 0.000 2.362 150 L HA -0.138 4.202 4.340 -0.000 0.000 0.219 150 L C 2.731 179.555 176.870 -0.076 0.000 1.134 150 L CA 1.070 55.862 54.840 -0.079 0.000 0.807 150 L CB -0.898 41.113 42.059 -0.081 0.000 0.927 150 L HN 0.380 nan 8.230 nan 0.000 0.447 151 S N 0.714 116.363 115.700 -0.085 0.000 2.442 151 S HA -0.121 4.349 4.470 -0.000 0.000 0.236 151 S C 2.072 176.654 174.600 -0.030 0.000 1.007 151 S CA 0.799 58.963 58.200 -0.060 0.000 0.965 151 S CB -0.189 62.980 63.200 -0.051 0.000 0.773 151 S HN 0.387 nan 8.310 nan 0.000 0.504 152 A N 1.155 123.959 122.820 -0.028 0.000 2.067 152 A HA 0.347 4.667 4.320 -0.000 0.000 0.217 152 A C 0.934 178.509 177.584 -0.015 0.000 1.156 152 A CA 0.018 52.045 52.037 -0.017 0.000 0.683 152 A CB -0.744 18.245 19.000 -0.020 0.000 0.808 152 A HN 0.623 nan 8.150 nan 0.000 0.455 153 I N 1.779 122.336 120.570 -0.021 0.000 2.828 153 I HA 0.007 4.177 4.170 -0.000 0.000 0.292 153 I C -2.137 173.985 176.117 0.009 0.000 1.206 153 I CA -1.200 60.093 61.300 -0.012 0.000 1.420 153 I CB 0.198 38.184 38.000 -0.024 0.000 1.368 153 I HN 0.067 nan 8.210 nan 0.000 0.556 154 P HA -0.155 nan 4.420 nan 0.000 0.260 154 P C 0.098 177.490 177.300 0.153 0.000 1.172 154 P CA 0.620 63.763 63.100 0.071 0.000 0.760 154 P CB 0.110 31.843 31.700 0.055 0.000 0.773 155 Y N 3.442 123.731 120.300 -0.019 0.000 3.707 155 Y HA -0.313 4.237 4.550 -0.000 0.000 0.395 155 Y C 0.623 176.511 175.900 -0.020 0.000 1.233 155 Y CA 2.134 60.224 58.100 -0.017 0.000 2.151 155 Y CB -1.986 36.462 38.460 -0.019 0.000 0.880 155 Y HN 0.324 nan 8.280 nan 0.000 0.464 156 I N 0.198 120.679 120.570 -0.149 0.000 4.439 156 I HA 0.379 4.549 4.170 -0.000 0.000 0.331 156 I C 2.080 178.110 176.117 -0.145 0.000 1.345 156 I CA 0.943 62.088 61.300 -0.259 0.000 1.193 156 I CB 0.192 38.040 38.000 -0.254 0.000 1.221 156 I HN 0.384 nan 8.210 nan 0.000 0.429 157 G N 0.357 109.107 108.800 -0.084 0.000 2.418 157 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.217 157 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.217 157 G C 1.555 176.408 174.900 -0.079 0.000 1.158 157 G CA 1.650 46.708 45.100 -0.070 0.000 0.771 157 G HN 0.396 nan 8.290 nan 0.000 0.545 158 T N 1.176 115.692 114.554 -0.063 0.000 2.597 158 T HA -0.256 4.094 4.350 -0.000 0.000 0.267 158 T C 2.106 176.779 174.700 -0.046 0.000 1.053 158 T CA 1.675 63.749 62.100 -0.043 0.000 1.165 158 T CB -0.668 68.198 68.868 -0.003 0.000 0.863 158 T HN 0.371 nan 8.240 nan 0.000 0.427 159 N N 1.635 120.298 118.700 -0.061 0.000 2.061 159 N HA -0.023 4.717 4.740 -0.000 0.000 0.193 159 N C 1.854 177.364 175.510 0.001 0.000 1.030 159 N CA 1.183 54.203 53.050 -0.050 0.000 0.856 159 N CB -0.650 37.767 38.487 -0.116 0.000 1.023 159 N HN 0.327 nan 8.380 nan 0.000 0.424 160 L N -0.186 121.022 121.223 -0.026 0.000 2.046 160 L HA -0.143 4.197 4.340 -0.000 0.000 0.208 160 L C 2.120 179.020 176.870 0.050 0.000 1.077 160 L CA 0.758 55.634 54.840 0.060 0.000 0.747 160 L CB -0.523 41.534 42.059 -0.003 0.000 0.896 160 L HN 0.073 nan 8.230 nan 0.000 0.432 161 V N -0.215 119.624 119.914 -0.123 0.000 2.295 161 V HA -0.293 3.827 4.120 -0.000 0.000 0.246 161 V C 2.415 178.235 176.094 -0.457 0.000 1.049 161 V CA 1.903 63.960 62.300 -0.406 0.000 1.024 161 V CB -0.421 31.093 31.823 -0.515 0.000 0.648 161 V HN 0.442 nan 8.190 nan 0.000 0.447 162 E N -1.322 118.810 120.200 -0.113 0.000 2.077 162 E HA -0.278 4.072 4.350 -0.000 0.000 0.193 162 E C 1.897 178.601 176.600 0.174 0.000 0.989 162 E CA 1.640 58.117 56.400 0.128 0.000 0.800 162 E CB -0.239 29.518 29.700 0.096 0.000 0.746 162 E HN 0.766 nan 8.360 nan 0.000 0.452 163 W N 1.566 122.853 121.300 -0.022 0.000 2.358 163 W HA -0.185 4.475 4.660 -0.000 0.000 0.303 163 W C 2.010 178.577 176.519 0.080 0.000 1.208 163 W CA 1.817 59.168 57.345 0.010 0.000 1.274 163 W CB -0.197 29.251 29.460 -0.021 0.000 1.138 163 W HN 0.152 nan 8.180 nan 0.000 0.515 164 I N -1.695 118.883 120.570 0.013 0.000 2.761 164 I HA -0.078 4.092 4.170 -0.000 0.000 0.261 164 I C 1.736 177.955 176.117 0.170 0.000 1.198 164 I CA 1.403 62.661 61.300 -0.069 0.000 1.482 164 I CB -0.741 37.290 38.000 0.052 0.000 1.100 164 I HN -0.056 nan 8.210 nan 0.000 0.445 165 W N 2.403 123.711 121.300 0.014 0.000 2.518 165 W HA 0.349 5.009 4.660 -0.000 0.000 0.273 165 W C 1.830 178.319 176.519 -0.050 0.000 1.247 165 W CA 1.083 58.423 57.345 -0.007 0.000 1.288 165 W CB -0.703 28.767 29.460 0.018 0.000 1.107 165 W HN 0.435 nan 8.180 nan 0.000 0.586 166 G N 0.214 109.104 108.800 0.150 0.000 2.270 166 G HA2 0.217 4.177 3.960 -0.000 0.000 0.224 166 G HA3 0.217 4.177 3.960 -0.000 0.000 0.224 166 G C 0.678 175.615 174.900 0.062 0.000 1.079 166 G CA 0.309 45.435 45.100 0.044 0.000 0.807 166 G HN 0.962 nan 8.290 nan 0.000 0.492 167 G N -1.050 107.799 108.800 0.082 0.000 2.475 167 G HA2 0.018 3.978 3.960 -0.000 0.000 0.223 167 G HA3 0.018 3.978 3.960 -0.000 0.000 0.223 167 G C 0.589 175.608 174.900 0.198 0.000 1.201 167 G CA 0.401 45.521 45.100 0.033 0.000 0.962 167 G HN 0.981 nan 8.290 nan 0.000 0.586 168 F N 2.396 122.442 119.950 0.161 0.000 2.473 168 F HA 0.458 4.985 4.527 -0.000 0.000 0.294 168 F C 1.898 177.817 175.800 0.198 0.000 1.103 168 F CA 1.533 59.642 58.000 0.182 0.000 1.442 168 F CB 0.251 39.320 39.000 0.115 0.000 1.097 168 F HN 0.945 nan 8.300 nan 0.000 0.547 169 S N -1.659 114.178 115.700 0.228 0.000 2.840 169 S HA 0.541 5.011 4.470 -0.000 0.000 0.307 169 S C -0.884 173.359 174.600 -0.595 0.000 1.180 169 S CA -0.852 57.219 58.200 -0.215 0.000 0.846 169 S CB 0.850 63.963 63.200 -0.145 0.000 1.233 169 S HN -0.260 nan 8.310 nan 0.000 0.548 170 V N 2.399 121.615 119.914 -1.164 0.000 2.540 170 V HA 0.318 4.438 4.120 -0.000 0.000 0.297 170 V C 0.219 176.128 176.094 -0.307 0.000 1.024 170 V CA 0.727 62.411 62.300 -1.027 0.000 1.105 170 V CB 0.093 31.034 31.823 -1.470 0.000 0.938 170 V HN 0.861 nan 8.190 nan 0.000 0.482 171 D N 2.465 122.782 120.400 -0.139 0.000 3.344 171 D HA 0.293 4.933 4.640 -0.000 0.000 0.308 171 D C 0.937 177.216 176.300 -0.034 0.000 1.356 171 D CA -0.691 53.319 54.000 0.017 0.000 0.998 171 D CB 1.302 42.089 40.800 -0.022 0.000 1.370 171 D HN 0.248 nan 8.370 nan 0.000 0.610 172 K N 0.183 120.535 120.400 -0.080 0.000 2.026 172 K HA -0.024 4.296 4.320 -0.000 0.000 0.208 172 K C 1.691 178.170 176.600 -0.202 0.000 1.048 172 K CA 1.248 57.429 56.287 -0.177 0.000 0.929 172 K CB -0.234 32.195 32.500 -0.119 0.000 0.713 172 K HN 0.311 nan 8.250 nan 0.000 0.439 173 A N 1.180 123.922 122.820 -0.130 0.000 2.225 173 A HA -0.092 4.228 4.320 -0.000 0.000 0.215 173 A C 1.890 179.399 177.584 -0.125 0.000 1.164 173 A CA 1.560 53.532 52.037 -0.109 0.000 0.710 173 A CB -0.582 18.381 19.000 -0.061 0.000 0.780 173 A HN 0.328 nan 8.150 nan 0.000 0.473 174 T N -0.773 113.664 114.554 -0.195 0.000 2.983 174 T HA 0.112 4.462 4.350 -0.000 0.000 0.250 174 T C 1.810 176.269 174.700 -0.402 0.000 1.037 174 T CA 0.676 62.606 62.100 -0.284 0.000 1.142 174 T CB -0.212 68.444 68.868 -0.353 0.000 0.876 174 T HN 0.310 nan 8.240 nan 0.000 0.455 175 L N 1.594 122.532 121.223 -0.475 0.000 2.056 175 L HA -0.116 4.224 4.340 -0.000 0.000 0.207 175 L C 2.962 179.760 176.870 -0.121 0.000 1.078 175 L CA 1.635 56.215 54.840 -0.433 0.000 0.749 175 L CB -0.747 40.821 42.059 -0.818 0.000 0.901 175 L HN 0.473 nan 8.230 nan 0.000 0.433 176 T N -2.265 112.208 114.554 -0.136 0.000 2.569 176 T HA -0.321 4.029 4.350 -0.000 0.000 0.263 176 T C 1.827 176.520 174.700 -0.012 0.000 1.074 176 T CA 1.228 63.311 62.100 -0.029 0.000 1.176 176 T CB -0.620 68.199 68.868 -0.082 0.000 0.863 176 T HN 0.197 nan 8.240 nan 0.000 0.410 177 R N 0.124 120.557 120.500 -0.111 0.000 2.301 177 R HA -0.252 4.088 4.340 -0.000 0.000 0.250 177 R C 2.140 178.291 176.300 -0.248 0.000 1.102 177 R CA 2.499 58.456 56.100 -0.239 0.000 0.933 177 R CB -0.778 29.515 30.300 -0.012 0.000 0.955 177 R HN 0.409 nan 8.270 nan 0.000 0.439 178 F N -0.699 119.176 119.950 -0.126 0.000 2.128 178 F HA -0.073 4.454 4.527 0.000 0.000 0.295 178 F C 2.100 177.970 175.800 0.117 0.000 1.100 178 F CA 0.958 58.990 58.000 0.054 0.000 1.260 178 F CB -0.980 38.041 39.000 0.036 0.000 1.009 178 F HN 0.065 nan 8.300 nan 0.000 0.476 179 F N 0.908 120.960 119.950 0.169 0.000 2.120 179 F HA -0.238 4.289 4.527 -0.000 0.000 0.300 179 F C 2.281 178.194 175.800 0.188 0.000 1.095 179 F CA 1.382 59.493 58.000 0.185 0.000 1.249 179 F CB -0.909 38.233 39.000 0.236 0.000 0.995 179 F HN -0.069 nan 8.300 nan 0.000 0.480 180 A N -0.025 122.715 122.820 -0.134 0.000 1.877 180 A HA -0.157 4.163 4.320 -0.000 0.000 0.216 180 A C 2.118 179.646 177.584 -0.094 0.000 1.186 180 A CA 1.737 53.609 52.037 -0.275 0.000 0.620 180 A CB -1.440 17.338 19.000 -0.371 0.000 0.822 180 A HN 0.372 nan 8.150 nan 0.000 0.443 181 F N -0.564 119.383 119.950 -0.004 0.000 2.134 181 F HA -0.102 4.425 4.527 0.000 0.000 0.299 181 F C 2.258 178.038 175.800 -0.032 0.000 1.097 181 F CA 1.447 59.422 58.000 -0.042 0.000 1.264 181 F CB -1.304 37.622 39.000 -0.123 0.000 1.001 181 F HN 0.515 nan 8.300 nan 0.000 0.479 182 H N -1.331 117.794 119.070 0.091 0.000 2.491 182 H HA -0.140 4.416 4.556 -0.000 0.000 0.290 182 H C 1.998 177.318 175.328 -0.014 0.000 1.050 182 H CA 1.302 57.354 56.048 0.007 0.000 1.309 182 H CB -0.327 29.444 29.762 0.015 0.000 1.392 182 H HN 0.130 nan 8.280 nan 0.000 0.554 183 F N -0.148 119.657 119.950 -0.242 0.000 2.118 183 F HA -0.010 4.517 4.527 -0.000 0.000 0.293 183 F C 2.425 178.150 175.800 -0.125 0.000 1.102 183 F CA 1.095 58.939 58.000 -0.259 0.000 1.247 183 F CB -0.465 38.340 39.000 -0.324 0.000 1.017 183 F HN 0.218 nan 8.300 nan 0.000 0.475 184 I N -0.742 119.974 120.570 0.243 0.000 2.439 184 I HA -0.253 3.917 4.170 -0.000 0.000 0.251 184 I C 2.072 178.262 176.117 0.122 0.000 1.139 184 I CA 0.919 62.372 61.300 0.255 0.000 1.438 184 I CB -0.099 38.009 38.000 0.179 0.000 1.085 184 I HN 0.124 nan 8.210 nan 0.000 0.427 185 L N 1.423 122.650 121.223 0.006 0.000 2.083 185 L HA -0.124 4.216 4.340 -0.000 0.000 0.209 185 L C -0.666 176.117 176.870 -0.144 0.000 1.083 185 L CA 2.068 56.873 54.840 -0.057 0.000 0.752 185 L CB -1.475 40.543 42.059 -0.069 0.000 0.899 185 L HN 0.175 nan 8.230 nan 0.000 0.433 186 P HA -0.117 nan 4.420 nan 0.000 0.219 186 P C 1.305 178.392 177.300 -0.355 0.000 1.150 186 P CA 1.225 64.088 63.100 -0.394 0.000 0.814 186 P CB -0.008 31.334 31.700 -0.595 0.000 0.787 187 F N -0.820 119.133 119.950 0.004 0.000 2.146 187 F HA -0.094 4.433 4.527 -0.000 0.000 0.298 187 F C 2.284 178.095 175.800 0.018 0.000 1.096 187 F CA 0.846 58.859 58.000 0.022 0.000 1.275 187 F CB -1.608 37.417 39.000 0.041 0.000 1.008 187 F HN -0.168 nan 8.300 nan 0.000 0.480 188 I N -0.001 120.657 120.570 0.147 0.000 2.163 188 I HA -0.331 3.839 4.170 -0.000 0.000 0.243 188 I C 2.359 178.501 176.117 0.040 0.000 1.085 188 I CA 1.509 62.858 61.300 0.082 0.000 1.347 188 I CB -0.660 37.372 38.000 0.054 0.000 1.044 188 I HN 0.086 nan 8.210 nan 0.000 0.408 189 I N 0.194 120.759 120.570 -0.007 0.000 2.087 189 I HA -0.407 3.763 4.170 -0.000 0.000 0.240 189 I C 2.750 178.877 176.117 0.016 0.000 1.054 189 I CA 1.887 63.173 61.300 -0.023 0.000 1.311 189 I CB -0.336 37.624 38.000 -0.067 0.000 1.024 189 I HN 0.249 nan 8.210 nan 0.000 0.402 190 M N 0.149 119.772 119.600 0.039 0.000 2.108 190 M HA -0.310 4.170 4.480 -0.000 0.000 0.257 190 M C 2.394 178.746 176.300 0.087 0.000 1.071 190 M CA 2.321 57.665 55.300 0.073 0.000 1.093 190 M CB -0.244 32.425 32.600 0.115 0.000 1.345 190 M HN 0.395 nan 8.290 nan 0.000 0.403 191 A N 0.390 123.267 122.820 0.094 0.000 1.892 191 A HA -0.210 4.110 4.320 -0.000 0.000 0.218 191 A C 1.903 179.540 177.584 0.088 0.000 1.188 191 A CA 2.091 54.181 52.037 0.088 0.000 0.631 191 A CB -1.072 17.979 19.000 0.084 0.000 0.822 191 A HN 0.617 nan 8.150 nan 0.000 0.447 192 I N -0.417 120.197 120.570 0.073 0.000 2.439 192 I HA -0.163 4.007 4.170 -0.000 0.000 0.251 192 I C 2.855 179.031 176.117 0.098 0.000 1.139 192 I CA 0.815 62.162 61.300 0.080 0.000 1.438 192 I CB -0.385 37.640 38.000 0.041 0.000 1.085 192 I HN 0.319 nan 8.210 nan 0.000 0.427 193 A N 0.916 123.773 122.820 0.062 0.000 1.940 193 A HA -0.210 4.110 4.320 -0.000 0.000 0.219 193 A C 2.344 180.030 177.584 0.169 0.000 1.176 193 A CA 1.722 53.806 52.037 0.077 0.000 0.631 193 A CB -0.578 18.442 19.000 0.032 0.000 0.814 193 A HN 0.354 nan 8.150 nan 0.000 0.446 194 M N -1.089 118.596 119.600 0.141 0.000 2.229 194 M HA -0.091 4.389 4.480 -0.000 0.000 0.264 194 M C 2.019 178.409 176.300 0.150 0.000 1.063 194 M CA 1.034 56.420 55.300 0.143 0.000 1.114 194 M CB -0.221 32.448 32.600 0.115 0.000 1.387 194 M HN 0.240 nan 8.290 nan 0.000 0.420 195 V N -0.744 119.277 119.914 0.178 0.000 2.307 195 V HA -0.288 3.832 4.120 -0.000 0.000 0.245 195 V C 2.217 178.528 176.094 0.361 0.000 1.045 195 V CA 2.230 64.667 62.300 0.229 0.000 1.024 195 V CB -0.841 31.133 31.823 0.251 0.000 0.651 195 V HN 0.471 nan 8.190 nan 0.000 0.449 196 H N -0.026 119.170 119.070 0.211 0.000 2.289 196 H HA -0.220 4.336 4.556 0.000 0.000 0.294 196 H C 2.124 177.540 175.328 0.148 0.000 1.095 196 H CA 2.380 58.541 56.048 0.188 0.000 1.256 196 H CB -0.267 29.564 29.762 0.115 0.000 1.359 196 H HN 0.293 nan 8.280 nan 0.000 0.487 197 L N -0.616 120.704 121.223 0.161 0.000 2.046 197 L HA -0.165 4.175 4.340 -0.000 0.000 0.208 197 L C 2.514 179.344 176.870 -0.067 0.000 1.077 197 L CA 1.181 55.999 54.840 -0.036 0.000 0.747 197 L CB -0.407 41.674 42.059 0.036 0.000 0.896 197 L HN 0.384 nan 8.230 nan 0.000 0.432 198 L N -0.802 120.432 121.223 0.017 0.000 1.989 198 L HA -0.235 4.105 4.340 -0.000 0.000 0.211 198 L C 2.266 179.046 176.870 -0.151 0.000 1.071 198 L CA 1.969 56.768 54.840 -0.068 0.000 0.749 198 L CB -0.890 41.085 42.059 -0.139 0.000 0.890 198 L HN 0.011 nan 8.230 nan 0.000 0.431 199 F N -0.531 119.387 119.950 -0.052 0.000 2.126 199 F HA -0.207 4.320 4.527 -0.000 0.000 0.299 199 F C 2.335 178.023 175.800 -0.188 0.000 1.096 199 F CA 1.924 59.869 58.000 -0.092 0.000 1.255 199 F CB -0.896 38.069 39.000 -0.060 0.000 0.997 199 F HN 0.225 nan 8.300 nan 0.000 0.479 200 L N -0.315 120.865 121.223 -0.072 0.000 1.989 200 L HA -0.259 4.081 4.340 -0.000 0.000 0.211 200 L C 2.231 178.981 176.870 -0.201 0.000 1.071 200 L CA 2.144 56.843 54.840 -0.235 0.000 0.749 200 L CB -0.877 41.008 42.059 -0.290 0.000 0.890 200 L HN 0.196 nan 8.230 nan 0.000 0.431 201 H N -1.173 117.818 119.070 -0.131 0.000 2.495 201 H HA -0.057 4.499 4.556 -0.000 0.000 0.287 201 H C 1.960 177.203 175.328 -0.142 0.000 1.033 201 H CA 0.519 56.488 56.048 -0.132 0.000 1.307 201 H CB 0.299 29.975 29.762 -0.143 0.000 1.401 201 H HN 0.422 nan 8.280 nan 0.000 0.555 202 E N 0.049 120.228 120.200 -0.034 0.000 2.108 202 E HA -0.204 4.146 4.350 -0.000 0.000 0.203 202 E C 2.248 178.782 176.600 -0.110 0.000 1.022 202 E CA 2.212 58.563 56.400 -0.082 0.000 0.823 202 E CB -0.159 29.490 29.700 -0.085 0.000 0.744 202 E HN 0.631 nan 8.360 nan 0.000 0.456 203 T N -2.946 111.476 114.554 -0.219 0.000 3.040 203 T HA 0.342 4.692 4.350 -0.000 0.000 0.252 203 T C 1.110 175.719 174.700 -0.151 0.000 1.064 203 T CA 0.616 62.556 62.100 -0.266 0.000 1.110 203 T CB 0.429 68.885 68.868 -0.687 0.000 0.921 203 T HN 0.360 nan 8.240 nan 0.000 0.480 204 G N 1.096 109.826 108.800 -0.116 0.000 2.877 204 G HA2 -0.139 3.821 3.960 -0.000 0.000 0.279 204 G HA3 -0.139 3.821 3.960 -0.000 0.000 0.279 204 G C -0.344 174.581 174.900 0.041 0.000 1.431 204 G CA -0.383 44.721 45.100 0.006 0.000 0.883 204 G HN 0.618 nan 8.290 nan 0.000 0.547 205 S N 0.616 116.406 115.700 0.149 0.000 2.545 205 S HA 0.345 4.815 4.470 -0.000 0.000 0.275 205 S C 0.978 175.775 174.600 0.328 0.000 1.299 205 S CA -0.353 58.021 58.200 0.291 0.000 1.048 205 S CB 0.915 64.270 63.200 0.259 0.000 0.938 205 S HN 0.806 nan 8.310 nan 0.000 0.496 206 N N 2.219 121.217 118.700 0.496 0.000 2.297 206 N HA 0.010 4.750 4.740 -0.000 0.000 0.232 206 N C -0.279 175.331 175.510 0.166 0.000 1.311 206 N CA 0.288 53.505 53.050 0.278 0.000 0.897 206 N CB 0.287 38.828 38.487 0.090 0.000 1.137 206 N HN 0.867 nan 8.380 nan 0.000 0.449 207 N N -0.606 118.088 118.700 -0.011 0.000 2.525 207 N HA 0.434 5.174 4.740 -0.000 0.000 0.270 207 N C -2.590 172.769 175.510 -0.252 0.000 1.321 207 N CA -1.206 51.612 53.050 -0.387 0.000 0.797 207 N CB 1.917 40.213 38.487 -0.319 0.000 1.529 207 N HN 0.116 nan 8.380 nan 0.000 0.491 208 P HA -0.208 nan 4.420 nan 0.000 0.218 208 P C 0.996 178.369 177.300 0.121 0.000 1.146 208 P CA 1.858 64.874 63.100 -0.140 0.000 0.820 208 P CB -0.023 31.616 31.700 -0.102 0.000 0.778 209 T N -5.582 108.982 114.554 0.016 0.000 3.014 209 T HA 0.178 4.528 4.350 -0.000 0.000 0.263 209 T C 1.794 176.534 174.700 0.067 0.000 1.078 209 T CA 1.000 63.112 62.100 0.021 0.000 1.135 209 T CB -1.008 67.944 68.868 0.138 0.000 0.895 209 T HN 0.217 nan 8.240 nan 0.000 0.480 210 G N 1.531 110.371 108.800 0.067 0.000 2.220 210 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.269 210 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.269 210 G C 0.109 175.042 174.900 0.054 0.000 0.977 210 G CA 0.402 45.529 45.100 0.045 0.000 0.634 210 G HN 0.721 nan 8.290 nan 0.000 0.539 211 I N 1.635 122.261 120.570 0.094 0.000 2.472 211 I HA 0.416 4.586 4.170 -0.000 0.000 0.290 211 I C 1.258 177.407 176.117 0.053 0.000 1.016 211 I CA -0.117 61.235 61.300 0.086 0.000 1.348 211 I CB 1.586 39.657 38.000 0.118 0.000 1.417 211 I HN 0.195 nan 8.210 nan 0.000 0.521 212 S N 3.525 119.253 115.700 0.047 0.000 2.544 212 S HA 0.001 4.471 4.470 -0.000 0.000 0.290 212 S C 1.047 175.667 174.600 0.032 0.000 1.276 212 S CA -0.101 58.124 58.200 0.043 0.000 1.075 212 S CB 0.492 63.719 63.200 0.044 0.000 0.849 212 S HN 0.781 nan 8.310 nan 0.000 0.494 213 S N 2.632 118.347 115.700 0.024 0.000 2.577 213 S HA 0.128 4.598 4.470 -0.000 0.000 0.219 213 S C 0.822 175.429 174.600 0.013 0.000 0.962 213 S CA -0.104 58.101 58.200 0.008 0.000 0.921 213 S CB -0.130 63.060 63.200 -0.017 0.000 0.789 213 S HN 0.751 nan 8.310 nan 0.000 0.497 214 D N 2.441 122.855 120.400 0.022 0.000 2.244 214 D HA -0.124 4.516 4.640 -0.000 0.000 0.197 214 D C 1.625 177.934 176.300 0.016 0.000 1.006 214 D CA 1.301 55.314 54.000 0.021 0.000 0.888 214 D CB -0.311 40.503 40.800 0.024 0.000 0.912 214 D HN 0.452 nan 8.370 nan 0.000 0.452 215 V N -0.589 119.333 119.914 0.014 0.000 3.306 215 V HA -0.017 4.103 4.120 -0.000 0.000 0.264 215 V C 0.648 176.744 176.094 0.003 0.000 1.149 215 V CA 0.732 63.038 62.300 0.010 0.000 1.143 215 V CB 0.015 31.845 31.823 0.012 0.000 0.767 215 V HN 0.040 nan 8.190 nan 0.000 0.476 216 D N 0.625 121.025 120.400 -0.000 0.000 2.978 216 D HA 0.178 4.818 4.640 -0.000 0.000 0.268 216 D C -0.254 176.038 176.300 -0.013 0.000 1.252 216 D CA -0.218 53.775 54.000 -0.012 0.000 0.771 216 D CB 0.432 41.219 40.800 -0.021 0.000 1.361 216 D HN 0.116 nan 8.370 nan 0.000 0.558 217 K N 0.842 121.243 120.400 0.002 0.000 2.098 217 K HA 0.613 4.933 4.320 -0.000 0.000 0.261 217 K C 0.555 177.167 176.600 0.021 0.000 0.987 217 K CA -0.683 55.615 56.287 0.019 0.000 0.916 217 K CB 2.072 34.593 32.500 0.035 0.000 1.039 217 K HN 0.426 nan 8.250 nan 0.000 0.455 218 I N -1.441 119.160 120.570 0.051 0.000 2.647 218 I HA 0.454 4.624 4.170 -0.000 0.000 0.295 218 I C -2.710 173.519 176.117 0.186 0.000 1.078 218 I CA -2.790 58.544 61.300 0.057 0.000 1.048 218 I CB 2.469 40.388 38.000 -0.135 0.000 1.239 218 I HN 0.251 nan 8.210 nan 0.000 0.421 219 P HA 0.072 nan 4.420 nan 0.000 0.276 219 P C 0.370 177.887 177.300 0.361 0.000 1.230 219 P CA -0.020 63.241 63.100 0.268 0.000 0.776 219 P CB 0.828 32.659 31.700 0.218 0.000 0.888 220 F N 2.991 123.112 119.950 0.285 0.000 2.063 220 F HA -0.211 4.316 4.527 -0.000 0.000 0.298 220 F C 1.380 177.371 175.800 0.317 0.000 1.109 220 F CA 1.715 59.937 58.000 0.371 0.000 1.212 220 F CB -0.688 38.486 39.000 0.290 0.000 0.973 220 F HN 0.402 nan 8.300 nan 0.000 0.480 221 H N 1.592 120.882 119.070 0.367 0.000 2.580 221 H HA 0.221 4.777 4.556 -0.000 0.000 0.322 221 H C -1.863 173.463 175.328 -0.004 0.000 1.082 221 H CA -2.309 53.829 56.048 0.150 0.000 1.383 221 H CB 1.187 31.054 29.762 0.176 0.000 1.450 221 H HN -0.081 nan 8.280 nan 0.000 0.505 222 P HA -0.014 nan 4.420 nan 0.000 0.267 222 P C 0.287 177.184 177.300 -0.672 0.000 1.289 222 P CA 0.454 62.883 63.100 -1.118 0.000 0.866 222 P CB 0.353 31.400 31.700 -1.087 0.000 1.309 223 Y N -0.676 119.380 120.300 -0.406 0.000 2.176 223 Y HA -0.071 4.479 4.550 0.000 0.000 0.291 223 Y C 1.924 177.415 175.900 -0.682 0.000 1.122 223 Y CA 1.514 59.284 58.100 -0.551 0.000 1.128 223 Y CB -1.143 36.898 38.460 -0.698 0.000 1.005 223 Y HN -0.122 nan 8.280 nan 0.000 0.509 224 Y N -0.516 119.580 120.300 -0.340 0.000 2.466 224 Y HA 0.017 4.567 4.550 -0.000 0.000 0.272 224 Y C 2.306 177.889 175.900 -0.528 0.000 1.169 224 Y CA 0.532 58.266 58.100 -0.610 0.000 1.285 224 Y CB -0.819 36.955 38.460 -1.145 0.000 1.078 224 Y HN 0.178 nan 8.280 nan 0.000 0.523 225 T N -2.517 111.952 114.554 -0.143 0.000 2.851 225 T HA -0.103 4.247 4.350 -0.000 0.000 0.262 225 T C 1.913 176.649 174.700 0.060 0.000 1.043 225 T CA 0.892 63.094 62.100 0.171 0.000 1.140 225 T CB -0.202 68.883 68.868 0.362 0.000 0.872 225 T HN 0.219 nan 8.240 nan 0.000 0.446 226 I N 1.395 121.935 120.570 -0.050 0.000 2.480 226 I HA 0.099 4.269 4.170 -0.000 0.000 0.251 226 I C 2.487 178.576 176.117 -0.048 0.000 1.124 226 I CA 1.047 62.313 61.300 -0.056 0.000 1.444 226 I CB -0.494 37.448 38.000 -0.096 0.000 1.098 226 I HN 0.286 nan 8.210 nan 0.000 0.428 227 K N 0.792 121.149 120.400 -0.071 0.000 2.147 227 K HA -0.241 4.079 4.320 -0.000 0.000 0.205 227 K C 1.471 178.086 176.600 0.024 0.000 1.049 227 K CA 1.905 58.177 56.287 -0.025 0.000 0.936 227 K CB -0.017 32.474 32.500 -0.015 0.000 0.722 227 K HN 0.139 nan 8.250 nan 0.000 0.446 228 D N -0.032 120.403 120.400 0.058 0.000 2.269 228 D HA -0.029 4.611 4.640 -0.000 0.000 0.208 228 D C 1.536 177.861 176.300 0.042 0.000 0.963 228 D CA 0.729 54.781 54.000 0.087 0.000 0.864 228 D CB 0.193 41.105 40.800 0.188 0.000 0.936 228 D HN 0.234 nan 8.370 nan 0.000 0.505 229 I N -0.354 120.232 120.570 0.027 0.000 2.277 229 I HA -0.145 4.025 4.170 -0.000 0.000 0.243 229 I C 2.008 178.120 176.117 -0.008 0.000 1.094 229 I CA 0.252 61.558 61.300 0.010 0.000 1.393 229 I CB 0.007 38.014 38.000 0.012 0.000 1.078 229 I HN 0.021 nan 8.210 nan 0.000 0.417 230 L N 1.137 122.351 121.223 -0.015 0.000 2.013 230 L HA -0.189 4.151 4.340 -0.000 0.000 0.212 230 L C 2.379 179.228 176.870 -0.034 0.000 1.073 230 L CA 2.379 57.205 54.840 -0.024 0.000 0.753 230 L CB -1.408 40.635 42.059 -0.027 0.000 0.890 230 L HN 0.281 nan 8.230 nan 0.000 0.432 231 G N -1.316 107.457 108.800 -0.044 0.000 2.491 231 G HA2 -0.344 3.616 3.960 -0.000 0.000 0.218 231 G HA3 -0.344 3.616 3.960 -0.000 0.000 0.218 231 G C 1.612 176.469 174.900 -0.070 0.000 1.180 231 G CA 1.231 46.284 45.100 -0.079 0.000 0.774 231 G HN 0.676 nan 8.290 nan 0.000 0.562 232 A N 0.292 123.086 122.820 -0.044 0.000 1.902 232 A HA 0.058 4.378 4.320 -0.000 0.000 0.217 232 A C 2.433 180.000 177.584 -0.029 0.000 1.181 232 A CA 1.619 53.634 52.037 -0.038 0.000 0.623 232 A CB -0.470 18.514 19.000 -0.026 0.000 0.818 232 A HN 0.432 nan 8.150 nan 0.000 0.443 233 L N -0.649 120.560 121.223 -0.023 0.000 2.017 233 L HA -0.165 4.175 4.340 -0.000 0.000 0.208 233 L C 2.453 179.318 176.870 -0.009 0.000 1.073 233 L CA 1.539 56.371 54.840 -0.015 0.000 0.745 233 L CB -0.258 41.794 42.059 -0.012 0.000 0.894 233 L HN 0.415 nan 8.230 nan 0.000 0.432 234 L N -0.879 120.334 121.223 -0.016 0.000 2.127 234 L HA -0.264 4.076 4.340 -0.000 0.000 0.211 234 L C 2.424 179.297 176.870 0.005 0.000 1.089 234 L CA 1.117 55.952 54.840 -0.009 0.000 0.757 234 L CB -0.496 41.547 42.059 -0.027 0.000 0.899 234 L HN 0.351 nan 8.230 nan 0.000 0.434 235 L N -0.250 120.969 121.223 -0.005 0.000 2.046 235 L HA -0.184 4.156 4.340 -0.000 0.000 0.208 235 L C 2.265 179.148 176.870 0.022 0.000 1.077 235 L CA 1.695 56.543 54.840 0.014 0.000 0.747 235 L CB -0.208 41.847 42.059 -0.008 0.000 0.896 235 L HN 0.107 nan 8.230 nan 0.000 0.432 236 I N -1.239 119.336 120.570 0.008 0.000 2.394 236 I HA -0.239 3.931 4.170 -0.000 0.000 0.251 236 I C 2.237 178.371 176.117 0.030 0.000 1.136 236 I CA 0.692 61.999 61.300 0.012 0.000 1.425 236 I CB -0.412 37.586 38.000 -0.003 0.000 1.079 236 I HN 0.311 nan 8.210 nan 0.000 0.425 237 L N 1.371 122.614 121.223 0.033 0.000 1.976 237 L HA -0.133 4.207 4.340 -0.000 0.000 0.209 237 L C 2.583 179.495 176.870 0.070 0.000 1.071 237 L CA 2.275 57.146 54.840 0.052 0.000 0.746 237 L CB -0.931 41.154 42.059 0.044 0.000 0.890 237 L HN 0.195 nan 8.230 nan 0.000 0.432 238 A N -1.000 121.860 122.820 0.066 0.000 2.024 238 A HA -0.187 4.133 4.320 -0.000 0.000 0.220 238 A C 2.210 179.848 177.584 0.090 0.000 1.164 238 A CA 1.871 53.956 52.037 0.080 0.000 0.643 238 A CB -0.905 18.145 19.000 0.083 0.000 0.806 238 A HN 0.512 nan 8.150 nan 0.000 0.451 239 L N -1.453 119.818 121.223 0.079 0.000 2.044 239 L HA -0.028 4.312 4.340 -0.000 0.000 0.205 239 L C 2.252 179.172 176.870 0.083 0.000 1.075 239 L CA 1.796 56.685 54.840 0.083 0.000 0.747 239 L CB -0.399 41.698 42.059 0.063 0.000 0.903 239 L HN 0.255 nan 8.230 nan 0.000 0.435 240 M N -1.181 118.461 119.600 0.069 0.000 2.349 240 M HA -0.044 4.436 4.480 -0.000 0.000 0.266 240 M C 2.252 178.600 176.300 0.080 0.000 1.076 240 M CA 1.208 56.542 55.300 0.056 0.000 1.126 240 M CB -0.939 31.681 32.600 0.033 0.000 1.392 240 M HN 0.256 nan 8.290 nan 0.000 0.440 241 L N -0.546 120.765 121.223 0.147 0.000 2.012 241 L HA -0.267 4.073 4.340 -0.000 0.000 0.210 241 L C 2.393 179.397 176.870 0.223 0.000 1.073 241 L CA 1.014 56.011 54.840 0.262 0.000 0.748 241 L CB -0.594 41.590 42.059 0.208 0.000 0.891 241 L HN 0.258 nan 8.230 nan 0.000 0.431 242 L N -0.440 120.870 121.223 0.146 0.000 1.961 242 L HA -0.200 4.140 4.340 -0.000 0.000 0.210 242 L C 2.796 179.733 176.870 0.112 0.000 1.072 242 L CA 2.163 57.080 54.840 0.127 0.000 0.749 242 L CB -0.951 41.181 42.059 0.123 0.000 0.889 242 L HN 0.300 nan 8.230 nan 0.000 0.432 243 V N -1.080 118.899 119.914 0.109 0.000 2.469 243 V HA -0.227 3.893 4.120 -0.000 0.000 0.251 243 V C 2.018 178.149 176.094 0.062 0.000 1.064 243 V CA 1.620 63.993 62.300 0.122 0.000 1.066 243 V CB -0.361 31.563 31.823 0.169 0.000 0.667 243 V HN 0.410 nan 8.190 nan 0.000 0.461 244 L N -2.252 118.940 121.223 -0.051 0.000 2.585 244 L HA 0.370 4.710 4.340 -0.000 0.000 0.226 244 L C 1.646 178.191 176.870 -0.543 0.000 1.113 244 L CA 0.352 55.023 54.840 -0.282 0.000 0.876 244 L CB 0.156 41.951 42.059 -0.440 0.000 1.072 244 L HN 0.326 nan 8.230 nan 0.000 0.468 245 F N -1.189 118.782 119.950 0.035 0.000 2.767 245 F HA 0.369 4.896 4.527 -0.000 0.000 0.329 245 F C 1.158 176.951 175.800 -0.013 0.000 0.912 245 F CA -0.139 57.866 58.000 0.007 0.000 1.115 245 F CB 0.328 39.335 39.000 0.012 0.000 0.936 245 F HN -0.187 nan 8.300 nan 0.000 0.624 246 A N 0.457 123.369 122.820 0.155 0.000 3.045 246 A HA 0.417 4.737 4.320 -0.000 0.000 0.244 246 A C -1.790 175.813 177.584 0.031 0.000 0.917 246 A CA -0.589 51.494 52.037 0.076 0.000 1.075 246 A CB -0.556 18.494 19.000 0.083 0.000 1.202 246 A HN -0.043 nan 8.150 nan 0.000 0.486 247 P HA -0.189 nan 4.420 nan 0.000 0.218 247 P C 0.368 177.668 177.300 -0.000 0.000 1.146 247 P CA 1.542 64.608 63.100 -0.056 0.000 0.820 247 P CB 0.307 31.802 31.700 -0.341 0.000 0.778 248 D N -1.834 118.551 120.400 -0.024 0.000 2.360 248 D HA 0.078 4.718 4.640 -0.000 0.000 0.210 248 D C 1.880 178.209 176.300 0.049 0.000 1.047 248 D CA -0.078 53.939 54.000 0.028 0.000 0.854 248 D CB -0.473 40.289 40.800 -0.064 0.000 0.936 248 D HN 0.008 nan 8.370 nan 0.000 0.514 249 L N -0.041 121.205 121.223 0.038 0.000 1.976 249 L HA -0.070 4.270 4.340 -0.000 0.000 0.209 249 L C 1.359 178.248 176.870 0.032 0.000 1.071 249 L CA 1.252 56.104 54.840 0.020 0.000 0.746 249 L CB 0.045 42.111 42.059 0.011 0.000 0.890 249 L HN 0.072 nan 8.230 nan 0.000 0.432 250 L N -0.309 120.953 121.223 0.065 0.000 2.672 250 L HA 0.246 4.586 4.340 -0.000 0.000 0.236 250 L C 0.562 177.543 176.870 0.185 0.000 1.186 250 L CA -0.254 54.647 54.840 0.101 0.000 0.977 250 L CB -0.750 41.370 42.059 0.101 0.000 1.203 250 L HN 0.226 nan 8.230 nan 0.000 0.448 251 G N -1.457 107.422 108.800 0.131 0.000 2.481 251 G HA2 0.335 4.295 3.960 -0.000 0.000 0.315 251 G HA3 0.335 4.295 3.960 -0.000 0.000 0.315 251 G C -1.367 173.582 174.900 0.082 0.000 1.231 251 G CA -0.415 44.750 45.100 0.109 0.000 0.968 251 G HN -0.167 nan 8.290 nan 0.000 0.482 252 D N 0.948 121.378 120.400 0.051 0.000 2.389 252 D HA 0.236 4.876 4.640 -0.000 0.000 0.247 252 D C -0.881 175.515 176.300 0.160 0.000 1.128 252 D CA -1.596 52.449 54.000 0.075 0.000 0.884 252 D CB 2.118 42.948 40.800 0.050 0.000 1.194 252 D HN 0.092 nan 8.370 nan 0.000 0.441 253 P HA -0.024 nan 4.420 nan 0.000 0.237 253 P C 0.519 177.965 177.300 0.244 0.000 1.178 253 P CA 0.309 63.489 63.100 0.133 0.000 0.766 253 P CB 0.606 32.299 31.700 -0.012 0.000 0.876 254 D N 0.485 121.023 120.400 0.231 0.000 2.144 254 D HA -0.143 4.497 4.640 -0.000 0.000 0.199 254 D C 1.567 178.034 176.300 0.278 0.000 0.984 254 D CA 1.031 55.178 54.000 0.245 0.000 0.834 254 D CB -0.513 40.419 40.800 0.220 0.000 0.955 254 D HN 0.074 nan 8.370 nan 0.000 0.465 255 N N -0.360 118.516 118.700 0.294 0.000 2.519 255 N HA -0.136 4.604 4.740 -0.000 0.000 0.186 255 N C 0.979 176.707 175.510 0.363 0.000 1.062 255 N CA 0.426 53.650 53.050 0.290 0.000 0.910 255 N CB -0.203 38.410 38.487 0.211 0.000 0.958 255 N HN 0.282 nan 8.380 nan 0.000 0.445 256 Y N -0.568 119.910 120.300 0.297 0.000 2.511 256 Y HA 0.089 4.639 4.550 -0.000 0.000 0.279 256 Y C 0.644 176.797 175.900 0.421 0.000 1.157 256 Y CA 0.264 58.605 58.100 0.401 0.000 1.300 256 Y CB -0.057 38.554 38.460 0.253 0.000 1.052 256 Y HN -0.055 nan 8.280 nan 0.000 0.529 257 T N -1.072 113.699 114.554 0.361 0.000 2.767 257 T HA 0.389 4.739 4.350 -0.000 0.000 0.284 257 T C -2.881 171.759 174.700 -0.100 0.000 0.973 257 T CA -2.797 59.354 62.100 0.085 0.000 0.996 257 T CB 1.705 70.620 68.868 0.078 0.000 0.927 257 T HN -0.227 nan 8.240 nan 0.000 0.456 258 P HA 0.267 nan 4.420 nan 0.000 0.264 258 P C -0.044 177.097 177.300 -0.266 0.000 1.193 258 P CA -0.210 62.548 63.100 -0.569 0.000 0.763 258 P CB 0.133 31.398 31.700 -0.725 0.000 0.810 259 A N 3.755 126.424 122.820 -0.251 0.000 2.566 259 A HA -0.003 4.317 4.320 -0.000 0.000 0.245 259 A C 0.543 177.856 177.584 -0.452 0.000 1.056 259 A CA 0.307 52.085 52.037 -0.432 0.000 0.757 259 A CB -0.676 17.814 19.000 -0.850 0.000 0.979 259 A HN 0.633 nan 8.150 nan 0.000 0.508 260 N N 4.504 122.958 118.700 -0.410 0.000 2.518 260 N HA 0.266 5.006 4.740 -0.000 0.000 0.254 260 N C -2.257 172.991 175.510 -0.436 0.000 0.979 260 N CA -1.739 51.111 53.050 -0.332 0.000 0.930 260 N CB 1.759 40.167 38.487 -0.132 0.000 1.152 260 N HN 0.326 nan 8.380 nan 0.000 0.505 261 P HA -0.026 nan 4.420 nan 0.000 0.242 261 P C 0.660 177.952 177.300 -0.012 0.000 1.198 261 P CA 0.617 63.253 63.100 -0.774 0.000 0.756 261 P CB 0.248 31.542 31.700 -0.677 0.000 0.911 262 L N -2.728 118.520 121.223 0.041 0.000 2.701 262 L HA 0.236 4.576 4.340 -0.000 0.000 0.238 262 L C 2.247 179.151 176.870 0.056 0.000 1.106 262 L CA -0.018 54.861 54.840 0.065 0.000 0.898 262 L CB -0.474 41.581 42.059 -0.007 0.000 1.188 262 L HN -0.057 nan 8.230 nan 0.000 0.508 263 N N 0.249 119.013 118.700 0.107 0.000 2.288 263 N HA -0.054 4.686 4.740 -0.000 0.000 0.199 263 N C 0.093 175.428 175.510 -0.292 0.000 1.043 263 N CA 1.143 54.177 53.050 -0.028 0.000 0.947 263 N CB 0.492 38.986 38.487 0.013 0.000 1.140 263 N HN -0.006 nan 8.380 nan 0.000 0.490 264 T N 2.119 116.320 114.554 -0.589 0.000 2.260 264 T HA -0.072 4.278 4.350 -0.000 0.000 0.543 264 T C -2.757 171.626 174.700 -0.527 0.000 0.855 264 T CA -0.490 60.916 62.100 -1.157 0.000 2.888 264 T CB -0.355 67.553 68.868 -1.599 0.000 1.762 264 T HN 0.220 nan 8.240 nan 0.000 0.477 265 P HA 0.212 nan 4.420 nan 0.000 0.272 265 P C -1.688 175.372 177.300 -0.399 0.000 1.223 265 P CA -1.319 61.578 63.100 -0.339 0.000 0.784 265 P CB 0.474 31.989 31.700 -0.308 0.000 0.923 266 P HA -0.147 nan 4.420 nan 0.000 0.216 266 P C 0.687 177.871 177.300 -0.194 0.000 1.153 266 P CA 1.509 64.454 63.100 -0.258 0.000 0.848 266 P CB -0.328 31.282 31.700 -0.151 0.000 0.787 267 H N -1.982 117.085 119.070 -0.004 0.000 2.605 267 H HA 0.293 4.849 4.556 -0.000 0.000 0.308 267 H C 0.585 175.927 175.328 0.024 0.000 1.080 267 H CA -0.725 55.331 56.048 0.013 0.000 1.119 267 H CB -0.915 28.857 29.762 0.015 0.000 1.479 267 H HN 0.161 nan 8.280 nan 0.000 0.537 268 I N 2.646 123.208 120.570 -0.013 0.000 2.872 268 I HA -0.091 4.079 4.170 -0.000 0.000 0.291 268 I C -0.126 176.044 176.117 0.089 0.000 1.216 268 I CA 0.843 62.158 61.300 0.026 0.000 1.424 268 I CB 0.287 38.267 38.000 -0.034 0.000 1.351 268 I HN 0.522 nan 8.210 nan 0.000 0.592 269 K N 5.799 126.195 120.400 -0.007 0.000 2.703 269 K HA 0.469 4.789 4.320 -0.000 0.000 0.285 269 K C -2.974 173.473 176.600 -0.255 0.000 1.014 269 K CA -1.367 54.812 56.287 -0.181 0.000 0.858 269 K CB 0.821 33.317 32.500 -0.007 0.000 1.467 269 K HN 0.130 nan 8.250 nan 0.000 0.383 270 P HA 0.063 nan 4.420 nan 0.000 0.293 270 P C -0.637 176.438 177.300 -0.375 0.000 1.298 270 P CA -0.227 62.722 63.100 -0.251 0.000 0.757 270 P CB 0.345 31.993 31.700 -0.087 0.000 1.262 271 E N 0.013 119.807 120.200 -0.677 0.000 2.404 271 E HA -0.040 4.310 4.350 -0.000 0.000 0.261 271 E C 1.598 177.644 176.600 -0.924 0.000 1.074 271 E CA -0.065 55.729 56.400 -1.010 0.000 0.917 271 E CB 0.126 28.735 29.700 -1.818 0.000 0.965 271 E HN 0.607 nan 8.360 nan 0.000 0.433 272 W N 4.070 124.961 121.300 -0.682 0.000 2.325 272 W HA -0.275 4.385 4.660 -0.000 0.000 0.299 272 W C 1.302 177.749 176.519 -0.120 0.000 1.215 272 W CA 1.185 58.363 57.345 -0.278 0.000 1.244 272 W CB -1.078 28.317 29.460 -0.109 0.000 1.140 272 W HN 0.589 nan 8.180 nan 0.000 0.523 273 Y N -1.944 117.589 120.300 -1.277 0.000 2.680 273 Y HA 0.070 4.620 4.550 -0.000 0.000 0.303 273 Y C 1.350 177.128 175.900 -0.202 0.000 1.166 273 Y CA 0.221 57.685 58.100 -1.059 0.000 1.344 273 Y CB -1.702 35.603 38.460 -1.925 0.000 1.002 273 Y HN -0.208 nan 8.280 nan 0.000 0.537 274 F N -0.646 119.166 119.950 -0.231 0.000 2.682 274 F HA 0.293 4.820 4.527 -0.000 0.000 0.308 274 F C 1.576 177.260 175.800 -0.194 0.000 1.093 274 F CA -1.140 56.751 58.000 -0.182 0.000 1.244 274 F CB -0.523 38.363 39.000 -0.189 0.000 1.052 274 F HN 0.114 nan 8.300 nan 0.000 0.573 275 L N -0.313 120.970 121.223 0.100 0.000 2.056 275 L HA -0.229 4.111 4.340 -0.000 0.000 0.207 275 L C 2.694 179.632 176.870 0.112 0.000 1.078 275 L CA 1.497 56.421 54.840 0.139 0.000 0.749 275 L CB -0.789 41.380 42.059 0.182 0.000 0.901 275 L HN 0.216 nan 8.230 nan 0.000 0.433 276 F N 0.713 120.717 119.950 0.089 0.000 2.120 276 F HA -0.237 4.290 4.527 0.000 0.000 0.300 276 F C 2.339 178.119 175.800 -0.035 0.000 1.095 276 F CA 1.283 59.280 58.000 -0.005 0.000 1.249 276 F CB -0.906 38.046 39.000 -0.080 0.000 0.995 276 F HN -0.058 nan 8.300 nan 0.000 0.480 277 A N -0.317 121.764 122.820 -1.231 0.000 1.898 277 A HA -0.087 4.233 4.320 -0.000 0.000 0.214 277 A C 2.144 179.541 177.584 -0.312 0.000 1.183 277 A CA 1.135 52.584 52.037 -0.980 0.000 0.622 277 A CB -1.637 16.759 19.000 -1.007 0.000 0.824 277 A HN 0.589 nan 8.150 nan 0.000 0.444 278 Y N 0.998 121.113 120.300 -0.309 0.000 2.053 278 Y HA -0.254 4.296 4.550 -0.000 0.000 0.277 278 Y C 2.775 178.592 175.900 -0.137 0.000 1.159 278 Y CA 1.241 59.240 58.100 -0.169 0.000 1.125 278 Y CB -1.121 37.275 38.460 -0.106 0.000 0.969 278 Y HN 0.337 nan 8.280 nan 0.000 0.492 279 A N 0.424 123.166 122.820 -0.129 0.000 1.909 279 A HA -0.314 4.006 4.320 -0.000 0.000 0.221 279 A C 2.417 179.913 177.584 -0.146 0.000 1.223 279 A CA 2.764 54.688 52.037 -0.189 0.000 0.658 279 A CB -1.498 17.437 19.000 -0.109 0.000 0.831 279 A HN 0.576 nan 8.150 nan 0.000 0.462 280 I N -0.844 119.662 120.570 -0.106 0.000 2.264 280 I HA -0.255 3.915 4.170 -0.000 0.000 0.248 280 I C 2.450 178.552 176.117 -0.025 0.000 1.111 280 I CA 1.675 62.952 61.300 -0.039 0.000 1.382 280 I CB -0.182 37.797 38.000 -0.035 0.000 1.060 280 I HN 0.580 nan 8.210 nan 0.000 0.418 281 L N 1.096 122.283 121.223 -0.061 0.000 2.162 281 L HA -0.055 4.285 4.340 -0.000 0.000 0.205 281 L C 2.434 179.265 176.870 -0.065 0.000 1.086 281 L CA 1.197 56.012 54.840 -0.041 0.000 0.778 281 L CB -0.445 41.599 42.059 -0.024 0.000 0.928 281 L HN 0.127 nan 8.230 nan 0.000 0.446 282 R N -0.131 120.288 120.500 -0.134 0.000 2.313 282 R HA 0.100 4.440 4.340 -0.000 0.000 0.199 282 R C 1.843 178.071 176.300 -0.120 0.000 0.958 282 R CA 0.809 56.816 56.100 -0.154 0.000 1.047 282 R CB -0.876 29.259 30.300 -0.274 0.000 0.955 282 R HN 0.551 nan 8.270 nan 0.000 0.481 283 S N 0.963 116.607 115.700 -0.094 0.000 2.555 283 S HA 0.073 4.543 4.470 -0.000 0.000 0.230 283 S C 0.896 175.478 174.600 -0.030 0.000 0.978 283 S CA -0.105 58.062 58.200 -0.055 0.000 0.934 283 S CB -0.242 62.940 63.200 -0.029 0.000 0.766 283 S HN 0.302 nan 8.310 nan 0.000 0.533 284 I N 1.981 122.532 120.570 -0.031 0.000 2.362 284 I HA 0.352 4.522 4.170 -0.000 0.000 0.289 284 I C -2.651 173.449 176.117 -0.027 0.000 0.994 284 I CA -2.573 58.713 61.300 -0.024 0.000 1.158 284 I CB 1.590 39.577 38.000 -0.021 0.000 1.315 284 I HN -0.104 nan 8.210 nan 0.000 0.451 285 P HA 0.122 nan 4.420 nan 0.000 0.249 285 P C -0.556 176.735 177.300 -0.016 0.000 1.686 285 P CA 0.286 63.375 63.100 -0.019 0.000 0.873 285 P CB -0.206 31.485 31.700 -0.015 0.000 1.828 286 N N 0.735 119.424 118.700 -0.018 0.000 2.295 286 N HA 0.108 4.848 4.740 -0.000 0.000 0.293 286 N C 0.734 176.234 175.510 -0.016 0.000 1.040 286 N CA -0.506 52.534 53.050 -0.017 0.000 0.840 286 N CB 1.970 40.443 38.487 -0.022 0.000 1.468 286 N HN -0.180 nan 8.380 nan 0.000 0.478 287 K N 1.757 122.151 120.400 -0.010 0.000 2.000 287 K HA -0.186 4.134 4.320 -0.000 0.000 0.218 287 K C 1.647 178.239 176.600 -0.014 0.000 1.053 287 K CA 1.503 57.786 56.287 -0.006 0.000 0.946 287 K CB -0.104 32.396 32.500 0.001 0.000 0.723 287 K HN 0.432 nan 8.250 nan 0.000 0.446 288 L N 0.786 121.999 121.223 -0.017 0.000 2.017 288 L HA -0.069 4.271 4.340 -0.000 0.000 0.208 288 L C 2.229 179.077 176.870 -0.036 0.000 1.073 288 L CA 2.415 57.240 54.840 -0.025 0.000 0.745 288 L CB -1.167 40.878 42.059 -0.024 0.000 0.894 288 L HN 0.360 nan 8.230 nan 0.000 0.432 289 G N -1.148 107.629 108.800 -0.038 0.000 2.421 289 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.216 289 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.216 289 G C 1.501 176.376 174.900 -0.042 0.000 1.171 289 G CA 0.635 45.706 45.100 -0.048 0.000 0.775 289 G HN 0.615 nan 8.290 nan 0.000 0.543 290 G N 0.121 108.904 108.800 -0.029 0.000 2.433 290 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.216 290 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.216 290 G C 1.826 176.717 174.900 -0.015 0.000 1.186 290 G CA 1.309 46.396 45.100 -0.021 0.000 0.779 290 G HN 0.451 nan 8.290 nan 0.000 0.543 291 V N 0.315 120.218 119.914 -0.018 0.000 2.343 291 V HA -0.089 4.031 4.120 -0.000 0.000 0.247 291 V C 2.762 178.850 176.094 -0.010 0.000 1.051 291 V CA 1.707 63.996 62.300 -0.018 0.000 1.036 291 V CB -0.275 31.534 31.823 -0.024 0.000 0.654 291 V HN 0.219 nan 8.190 nan 0.000 0.451 292 L N 0.492 121.700 121.223 -0.026 0.000 2.275 292 L HA 0.048 4.388 4.340 -0.000 0.000 0.215 292 L C 2.603 179.460 176.870 -0.022 0.000 1.119 292 L CA 2.052 56.868 54.840 -0.041 0.000 0.790 292 L CB -1.415 40.591 42.059 -0.088 0.000 0.919 292 L HN 0.418 nan 8.230 nan 0.000 0.443 293 A N -1.085 121.726 122.820 -0.016 0.000 1.898 293 A HA -0.170 4.150 4.320 -0.000 0.000 0.216 293 A C 2.272 179.962 177.584 0.177 0.000 1.181 293 A CA 1.549 53.602 52.037 0.027 0.000 0.620 293 A CB -0.660 18.349 19.000 0.014 0.000 0.819 293 A HN 0.341 nan 8.150 nan 0.000 0.442 294 L N -0.307 120.976 121.223 0.101 0.000 2.027 294 L HA -0.034 4.306 4.340 -0.000 0.000 0.206 294 L C 2.760 179.705 176.870 0.125 0.000 1.074 294 L CA 1.966 56.853 54.840 0.079 0.000 0.745 294 L CB -0.656 41.394 42.059 -0.014 0.000 0.898 294 L HN 0.366 nan 8.230 nan 0.000 0.433 295 A N -0.516 122.371 122.820 0.111 0.000 1.870 295 A HA -0.348 3.972 4.320 -0.000 0.000 0.219 295 A C 2.242 180.004 177.584 0.296 0.000 1.224 295 A CA 2.462 54.587 52.037 0.148 0.000 0.650 295 A CB -1.453 17.610 19.000 0.105 0.000 0.836 295 A HN 0.506 nan 8.150 nan 0.000 0.454 296 F N 0.687 120.723 119.950 0.143 0.000 2.365 296 F HA -0.048 4.479 4.527 -0.000 0.000 0.300 296 F C 2.725 178.859 175.800 0.556 0.000 1.090 296 F CA 0.815 58.968 58.000 0.254 0.000 1.408 296 F CB -0.590 38.460 39.000 0.083 0.000 1.060 296 F HN 0.242 nan 8.300 nan 0.000 0.534 297 S N 0.055 116.151 115.700 0.660 0.000 2.387 297 S HA -0.207 4.263 4.470 -0.000 0.000 0.230 297 S C 1.851 176.648 174.600 0.328 0.000 1.035 297 S CA 2.123 60.610 58.200 0.479 0.000 1.014 297 S CB -0.211 63.150 63.200 0.268 0.000 0.836 297 S HN 0.382 nan 8.310 nan 0.000 0.466 298 I N -0.222 120.501 120.570 0.256 0.000 3.366 298 I HA 0.168 4.338 4.170 -0.000 0.000 0.267 298 I C 1.456 177.647 176.117 0.124 0.000 1.149 298 I CA 0.254 61.670 61.300 0.193 0.000 1.436 298 I CB -0.319 37.791 38.000 0.184 0.000 1.379 298 I HN 0.083 nan 8.210 nan 0.000 0.460 299 L N 1.034 122.342 121.223 0.141 0.000 2.642 299 L HA -0.099 4.241 4.340 -0.000 0.000 0.236 299 L C 2.362 179.280 176.870 0.080 0.000 1.169 299 L CA 0.738 55.657 54.840 0.132 0.000 0.851 299 L CB -0.628 41.544 42.059 0.188 0.000 0.968 299 L HN 0.297 nan 8.230 nan 0.000 0.453 300 I N 0.210 120.750 120.570 -0.050 0.000 2.264 300 I HA -0.309 3.861 4.170 -0.000 0.000 0.248 300 I C 2.304 178.387 176.117 -0.057 0.000 1.111 300 I CA 1.486 62.648 61.300 -0.229 0.000 1.382 300 I CB 0.040 37.847 38.000 -0.321 0.000 1.060 300 I HN 0.181 nan 8.210 nan 0.000 0.418 301 L N 0.215 121.458 121.223 0.035 0.000 2.043 301 L HA -0.274 4.066 4.340 -0.000 0.000 0.212 301 L C 2.738 179.797 176.870 0.314 0.000 1.075 301 L CA 1.412 56.349 54.840 0.162 0.000 0.752 301 L CB -1.126 40.960 42.059 0.045 0.000 0.891 301 L HN 0.320 nan 8.230 nan 0.000 0.432 302 A N 0.057 122.996 122.820 0.199 0.000 1.985 302 A HA -0.253 4.067 4.320 -0.000 0.000 0.223 302 A C 2.244 179.923 177.584 0.157 0.000 1.189 302 A CA 2.051 54.207 52.037 0.198 0.000 0.658 302 A CB -0.789 18.292 19.000 0.135 0.000 0.820 302 A HN 0.451 nan 8.150 nan 0.000 0.464 303 L N -1.142 120.135 121.223 0.090 0.000 2.307 303 L HA -0.002 4.338 4.340 -0.000 0.000 0.211 303 L C 2.347 179.199 176.870 -0.029 0.000 1.099 303 L CA 0.426 55.289 54.840 0.039 0.000 0.816 303 L CB -0.480 41.593 42.059 0.023 0.000 0.952 303 L HN 0.400 nan 8.230 nan 0.000 0.455 304 I N 0.955 121.487 120.570 -0.063 0.000 2.113 304 I HA -0.278 3.892 4.170 -0.000 0.000 0.242 304 I C -0.210 175.689 176.117 -0.363 0.000 1.064 304 I CA 1.844 62.989 61.300 -0.258 0.000 1.320 304 I CB -1.695 36.103 38.000 -0.336 0.000 1.028 304 I HN 0.199 nan 8.210 nan 0.000 0.406 305 P HA -0.199 nan 4.420 nan 0.000 0.216 305 P C 1.838 179.114 177.300 -0.041 0.000 1.154 305 P CA 1.645 64.662 63.100 -0.137 0.000 0.865 305 P CB -0.119 31.531 31.700 -0.083 0.000 0.789 306 L N -2.190 119.014 121.223 -0.032 0.000 2.275 306 L HA -0.083 4.257 4.340 -0.000 0.000 0.215 306 L C 1.998 178.863 176.870 -0.009 0.000 1.119 306 L CA 0.935 55.772 54.840 -0.004 0.000 0.790 306 L CB -0.734 41.333 42.059 0.012 0.000 0.919 306 L HN 0.000 nan 8.230 nan 0.000 0.443 307 L N -2.004 119.193 121.223 -0.044 0.000 2.607 307 L HA 0.105 4.445 4.340 -0.000 0.000 0.228 307 L C 0.774 177.605 176.870 -0.066 0.000 1.123 307 L CA -0.347 54.456 54.840 -0.062 0.000 0.890 307 L CB -0.493 41.505 42.059 -0.101 0.000 1.103 307 L HN 0.121 nan 8.230 nan 0.000 0.468 308 H N -0.315 118.689 119.070 -0.110 0.000 3.001 308 H HA -0.007 4.549 4.556 -0.000 0.000 0.334 308 H C 0.815 176.111 175.328 -0.054 0.000 1.034 308 H CA 1.174 57.187 56.048 -0.058 0.000 1.420 308 H CB 0.926 30.707 29.762 0.032 0.000 1.405 308 H HN -0.110 nan 8.280 nan 0.000 0.593 309 T N 1.622 115.954 114.554 -0.370 0.000 3.236 309 T HA 0.049 4.399 4.350 -0.000 0.000 0.265 309 T C 0.159 174.727 174.700 -0.221 0.000 0.912 309 T CA 0.211 62.186 62.100 -0.209 0.000 0.946 309 T CB 0.105 68.863 68.868 -0.183 0.000 1.241 309 T HN 0.548 nan 8.240 nan 0.000 0.513 310 S N 1.906 117.363 115.700 -0.405 0.000 2.531 310 S HA 0.178 4.648 4.470 -0.000 0.000 0.279 310 S C 1.319 175.848 174.600 -0.119 0.000 1.305 310 S CA -0.329 57.730 58.200 -0.235 0.000 1.058 310 S CB 0.537 63.584 63.200 -0.256 0.000 0.899 310 S HN 0.182 nan 8.310 nan 0.000 0.493 311 K N 2.817 123.115 120.400 -0.171 0.000 2.360 311 K HA -0.062 4.258 4.320 -0.000 0.000 0.201 311 K C 0.408 176.829 176.600 -0.299 0.000 1.046 311 K CA 1.076 57.139 56.287 -0.375 0.000 0.940 311 K CB -0.059 31.917 32.500 -0.872 0.000 0.748 311 K HN 0.676 nan 8.250 nan 0.000 0.465 312 Q N -0.193 119.570 119.800 -0.061 0.000 2.235 312 Q HA 0.214 4.554 4.340 -0.000 0.000 0.256 312 Q C 0.862 176.922 176.000 0.101 0.000 0.951 312 Q CA -0.332 55.508 55.803 0.062 0.000 0.890 312 Q CB 2.069 30.926 28.738 0.199 0.000 1.279 312 Q HN -0.007 nan 8.270 nan 0.000 0.444 313 R N 0.924 121.444 120.500 0.033 0.000 2.055 313 R HA -0.006 4.334 4.340 -0.000 0.000 0.228 313 R C 1.003 177.259 176.300 -0.073 0.000 1.143 313 R CA 1.011 57.067 56.100 -0.074 0.000 0.945 313 R CB -0.001 30.196 30.300 -0.171 0.000 0.841 313 R HN 0.580 nan 8.270 nan 0.000 0.429 314 S N -0.809 114.860 115.700 -0.051 0.000 2.634 314 S HA 0.060 4.530 4.470 -0.000 0.000 0.261 314 S C 0.924 175.379 174.600 -0.242 0.000 1.271 314 S CA -0.404 57.737 58.200 -0.098 0.000 0.985 314 S CB 0.882 64.092 63.200 0.018 0.000 0.968 314 S HN 0.363 nan 8.310 nan 0.000 0.568 315 M N 1.818 121.080 119.600 -0.563 0.000 2.428 315 M HA 0.162 4.642 4.480 -0.000 0.000 0.239 315 M C 1.743 177.718 176.300 -0.541 0.000 1.121 315 M CA 0.020 54.881 55.300 -0.731 0.000 1.019 315 M CB -0.050 31.707 32.600 -1.404 0.000 1.485 315 M HN 0.725 nan 8.290 nan 0.000 0.484 316 M N 0.004 119.344 119.600 -0.432 0.000 2.195 316 M HA -0.192 4.288 4.480 -0.000 0.000 0.260 316 M C -0.050 175.992 176.300 -0.430 0.000 1.066 316 M CA 1.875 56.944 55.300 -0.386 0.000 1.089 316 M CB -0.028 32.229 32.600 -0.571 0.000 1.377 316 M HN 0.189 nan 8.290 nan 0.000 0.411 317 F N 0.699 120.669 119.950 0.033 0.000 2.923 317 F HA 0.309 4.836 4.527 0.000 0.000 0.314 317 F C 0.036 175.845 175.800 0.015 0.000 1.196 317 F CA -0.401 57.622 58.000 0.038 0.000 1.320 317 F CB -0.035 38.997 39.000 0.053 0.000 0.953 317 F HN -0.001 nan 8.300 nan 0.000 0.505 318 R N -0.528 120.020 120.500 0.079 0.000 2.734 318 R HA 0.312 4.652 4.340 -0.000 0.000 0.268 318 R C -2.825 173.481 176.300 0.010 0.000 1.785 318 R CA -1.387 54.733 56.100 0.033 0.000 1.461 318 R CB 0.776 31.069 30.300 -0.012 0.000 1.308 318 R HN -0.033 nan 8.270 nan 0.000 0.586 319 P HA -0.086 nan 4.420 nan 0.000 0.217 319 P C 1.217 178.556 177.300 0.065 0.000 1.151 319 P CA 0.413 63.557 63.100 0.073 0.000 0.828 319 P CB 0.326 32.073 31.700 0.078 0.000 0.788 320 L N -0.659 120.589 121.223 0.042 0.000 1.990 320 L HA -0.218 4.122 4.340 -0.000 0.000 0.213 320 L C 2.438 179.321 176.870 0.022 0.000 1.072 320 L CA 2.031 56.890 54.840 0.032 0.000 0.755 320 L CB -1.352 40.717 42.059 0.017 0.000 0.889 320 L HN -0.065 nan 8.230 nan 0.000 0.432 321 S N -1.632 114.059 115.700 -0.015 0.000 2.371 321 S HA -0.179 4.291 4.470 -0.000 0.000 0.224 321 S C 1.878 176.458 174.600 -0.034 0.000 1.029 321 S CA 0.709 58.874 58.200 -0.058 0.000 0.978 321 S CB -0.179 62.942 63.200 -0.131 0.000 0.833 321 S HN 0.423 nan 8.310 nan 0.000 0.466 322 Q N -0.105 119.678 119.800 -0.027 0.000 2.156 322 Q HA -0.228 4.112 4.340 -0.000 0.000 0.211 322 Q C 2.402 178.601 176.000 0.332 0.000 0.995 322 Q CA 1.674 57.560 55.803 0.137 0.000 0.877 322 Q CB -0.433 28.417 28.738 0.186 0.000 0.920 322 Q HN 0.565 nan 8.270 nan 0.000 0.416 323 C N -0.142 119.292 119.300 0.224 0.000 2.518 323 C HA -0.058 4.402 4.460 -0.000 0.000 0.279 323 C C 2.617 177.713 174.990 0.177 0.000 1.279 323 C CA 0.257 59.415 59.018 0.232 0.000 1.703 323 C CB -0.974 26.851 27.740 0.140 0.000 2.072 323 C HN 0.489 nan 8.230 nan 0.000 0.487 324 L N 0.125 121.404 121.223 0.094 0.000 2.187 324 L HA -0.174 4.166 4.340 -0.000 0.000 0.213 324 L C 2.370 179.240 176.870 -0.001 0.000 1.100 324 L CA 1.415 56.275 54.840 0.033 0.000 0.765 324 L CB -0.808 41.250 42.059 -0.001 0.000 0.904 324 L HN 0.341 nan 8.230 nan 0.000 0.437 325 F N 0.333 120.194 119.950 -0.149 0.000 2.051 325 F HA -0.204 4.323 4.527 0.000 0.000 0.296 325 F C 2.052 177.635 175.800 -0.362 0.000 1.122 325 F CA 1.462 59.272 58.000 -0.317 0.000 1.201 325 F CB -0.514 38.213 39.000 -0.455 0.000 0.978 325 F HN -0.061 nan 8.300 nan 0.000 0.472 326 W N 0.424 121.695 121.300 -0.049 0.000 2.402 326 W HA -0.016 4.644 4.660 -0.000 0.000 0.286 326 W C 2.588 179.019 176.519 -0.146 0.000 1.221 326 W CA 1.355 58.609 57.345 -0.151 0.000 1.257 326 W CB -1.122 28.357 29.460 0.031 0.000 1.120 326 W HN 0.134 nan 8.180 nan 0.000 0.551 327 A N 0.422 123.284 122.820 0.071 0.000 1.917 327 A HA -0.235 4.085 4.320 -0.000 0.000 0.219 327 A C 2.020 179.565 177.584 -0.064 0.000 1.182 327 A CA 1.679 53.725 52.037 0.015 0.000 0.633 327 A CB -0.962 18.051 19.000 0.021 0.000 0.819 327 A HN 0.367 nan 8.150 nan 0.000 0.448 328 L N -0.257 120.851 121.223 -0.192 0.000 2.027 328 L HA -0.141 4.199 4.340 -0.000 0.000 0.206 328 L C 2.519 179.242 176.870 -0.246 0.000 1.074 328 L CA 1.843 56.538 54.840 -0.241 0.000 0.745 328 L CB -0.465 41.372 42.059 -0.369 0.000 0.898 328 L HN 0.308 nan 8.230 nan 0.000 0.433 329 V N 0.485 120.163 119.914 -0.393 0.000 2.220 329 V HA -0.327 3.793 4.120 -0.000 0.000 0.246 329 V C 2.875 178.935 176.094 -0.055 0.000 1.049 329 V CA 1.907 64.052 62.300 -0.258 0.000 1.003 329 V CB -1.294 30.385 31.823 -0.240 0.000 0.634 329 V HN 0.584 nan 8.190 nan 0.000 0.444 330 A N 0.103 122.934 122.820 0.017 0.000 1.903 330 A HA -0.383 3.937 4.320 -0.000 0.000 0.219 330 A C 2.037 179.653 177.584 0.054 0.000 1.191 330 A CA 2.592 54.662 52.037 0.054 0.000 0.638 330 A CB -1.001 18.041 19.000 0.070 0.000 0.823 330 A HN 0.641 nan 8.150 nan 0.000 0.451 331 D N -0.586 119.837 120.400 0.038 0.000 2.158 331 D HA -0.142 4.498 4.640 -0.000 0.000 0.197 331 D C 1.764 178.105 176.300 0.068 0.000 0.995 331 D CA 1.440 55.479 54.000 0.065 0.000 0.846 331 D CB -0.175 40.663 40.800 0.062 0.000 0.941 331 D HN 0.456 nan 8.370 nan 0.000 0.456 332 L N -0.098 121.135 121.223 0.018 0.000 2.109 332 L HA -0.054 4.286 4.340 -0.000 0.000 0.207 332 L C 2.540 179.446 176.870 0.059 0.000 1.086 332 L CA 0.416 55.243 54.840 -0.021 0.000 0.760 332 L CB -0.338 41.622 42.059 -0.165 0.000 0.910 332 L HN 0.192 nan 8.230 nan 0.000 0.437 333 L N -0.531 120.738 121.223 0.077 0.000 2.042 333 L HA -0.265 4.075 4.340 -0.000 0.000 0.210 333 L C 2.535 179.530 176.870 0.208 0.000 1.076 333 L CA 1.670 56.591 54.840 0.134 0.000 0.749 333 L CB -0.339 41.780 42.059 0.099 0.000 0.893 333 L HN 0.336 nan 8.230 nan 0.000 0.432 334 T N 0.302 114.977 114.554 0.203 0.000 2.652 334 T HA -0.221 4.129 4.350 -0.000 0.000 0.267 334 T C 1.880 176.759 174.700 0.298 0.000 1.039 334 T CA 1.570 63.864 62.100 0.322 0.000 1.153 334 T CB -0.266 68.749 68.868 0.246 0.000 0.863 334 T HN 0.246 nan 8.240 nan 0.000 0.428 335 L N 0.815 122.144 121.223 0.177 0.000 2.083 335 L HA -0.110 4.230 4.340 -0.000 0.000 0.209 335 L C 2.906 179.862 176.870 0.142 0.000 1.083 335 L CA 1.199 56.108 54.840 0.117 0.000 0.752 335 L CB -1.145 40.972 42.059 0.097 0.000 0.899 335 L HN 0.315 nan 8.230 nan 0.000 0.433 336 T N -1.136 113.554 114.554 0.227 0.000 2.635 336 T HA -0.300 4.050 4.350 -0.000 0.000 0.267 336 T C 1.332 176.160 174.700 0.213 0.000 1.040 336 T CA 1.876 64.131 62.100 0.258 0.000 1.156 336 T CB -0.649 68.406 68.868 0.311 0.000 0.863 336 T HN 0.564 nan 8.240 nan 0.000 0.430 337 W N 2.074 123.408 121.300 0.057 0.000 2.338 337 W HA -0.093 4.567 4.660 -0.000 0.000 0.304 337 W C 1.659 178.136 176.519 -0.069 0.000 1.212 337 W CA 0.517 57.863 57.345 0.002 0.000 1.264 337 W CB -0.533 28.928 29.460 0.002 0.000 1.142 337 W HN 0.046 nan 8.180 nan 0.000 0.512 338 I N 1.501 121.780 120.570 -0.485 0.000 2.142 338 I HA -0.169 4.001 4.170 -0.000 0.000 0.240 338 I C 2.705 178.574 176.117 -0.413 0.000 1.078 338 I CA 1.850 62.751 61.300 -0.666 0.000 1.343 338 I CB -2.080 35.676 38.000 -0.406 0.000 1.046 338 I HN 0.238 nan 8.210 nan 0.000 0.405 339 G N 0.738 109.429 108.800 -0.182 0.000 2.545 339 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.222 339 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.222 339 G C 1.642 176.551 174.900 0.014 0.000 1.126 339 G CA 1.121 46.206 45.100 -0.024 0.000 0.754 339 G HN 0.530 nan 8.290 nan 0.000 0.583 340 G N -1.294 107.455 108.800 -0.085 0.000 2.813 340 G HA2 0.251 4.211 3.960 -0.000 0.000 0.209 340 G HA3 0.251 4.211 3.960 -0.000 0.000 0.209 340 G C 0.710 175.503 174.900 -0.179 0.000 1.150 340 G CA 0.100 45.160 45.100 -0.067 0.000 0.785 340 G HN 0.392 nan 8.290 nan 0.000 0.535 341 Q N 0.380 119.943 119.800 -0.396 0.000 2.301 341 Q HA 0.390 4.730 4.340 -0.000 0.000 0.267 341 Q C -2.579 173.245 176.000 -0.294 0.000 1.035 341 Q CA -2.232 53.270 55.803 -0.502 0.000 0.856 341 Q CB 2.135 30.081 28.738 -1.319 0.000 1.337 341 Q HN 0.044 nan 8.270 nan 0.000 0.450 342 P HA 0.094 nan 4.420 nan 0.000 0.274 342 P C -0.150 177.149 177.300 -0.002 0.000 1.246 342 P CA -0.391 62.694 63.100 -0.024 0.000 0.795 342 P CB 0.528 32.255 31.700 0.044 0.000 1.006 343 V N 0.298 120.195 119.914 -0.029 0.000 2.054 343 V HA 0.182 4.302 4.120 -0.000 0.000 0.243 343 V C 0.682 176.784 176.094 0.013 0.000 1.480 343 V CA 0.582 62.861 62.300 -0.036 0.000 1.440 343 V CB -2.044 29.733 31.823 -0.076 0.000 1.489 343 V HN 0.532 nan 8.190 nan 0.000 0.502 344 E N 0.161 120.400 120.200 0.065 0.000 2.415 344 E HA 0.337 4.687 4.350 -0.000 0.000 0.255 344 E C 0.914 177.530 176.600 0.027 0.000 0.936 344 E CA -0.792 55.648 56.400 0.066 0.000 0.876 344 E CB 1.082 30.833 29.700 0.085 0.000 1.696 344 E HN 0.445 nan 8.360 nan 0.000 0.435 345 H N 1.312 120.335 119.070 -0.079 0.000 2.280 345 H HA -0.084 4.472 4.556 -0.000 0.000 0.294 345 H C -1.039 174.222 175.328 -0.111 0.000 1.064 345 H CA 2.849 58.838 56.048 -0.098 0.000 1.208 345 H CB -0.644 29.059 29.762 -0.097 0.000 1.365 345 H HN 0.257 nan 8.280 nan 0.000 0.511 346 P HA -0.114 nan 4.420 nan 0.000 0.215 346 P C 1.307 178.458 177.300 -0.247 0.000 1.160 346 P CA 1.142 63.878 63.100 -0.607 0.000 0.869 346 P CB -0.507 30.960 31.700 -0.388 0.000 0.782 347 Y N 0.241 120.420 120.300 -0.202 0.000 2.292 347 Y HA -0.274 4.276 4.550 -0.000 0.000 0.268 347 Y C 2.529 178.299 175.900 -0.216 0.000 1.312 347 Y CA 0.443 58.392 58.100 -0.250 0.000 1.096 347 Y CB -2.281 36.031 38.460 -0.248 0.000 0.900 347 Y HN -0.026 nan 8.280 nan 0.000 0.528 348 I N -0.578 119.974 120.570 -0.030 0.000 2.133 348 I HA -0.297 3.873 4.170 -0.000 0.000 0.238 348 I C 2.341 178.423 176.117 -0.059 0.000 1.074 348 I CA 2.085 63.349 61.300 -0.059 0.000 1.342 348 I CB -0.749 37.218 38.000 -0.054 0.000 1.053 348 I HN 0.312 nan 8.210 nan 0.000 0.404 349 T N 0.896 115.400 114.554 -0.083 0.000 2.737 349 T HA -0.184 4.166 4.350 -0.000 0.000 0.265 349 T C 1.919 176.610 174.700 -0.015 0.000 1.038 349 T CA 1.418 63.488 62.100 -0.050 0.000 1.144 349 T CB -0.880 67.950 68.868 -0.064 0.000 0.866 349 T HN 0.460 nan 8.240 nan 0.000 0.434 350 I N 1.972 122.538 120.570 -0.006 0.000 2.264 350 I HA 0.054 4.224 4.170 -0.000 0.000 0.248 350 I C 2.437 178.579 176.117 0.042 0.000 1.111 350 I CA 1.789 63.119 61.300 0.050 0.000 1.382 350 I CB -0.909 37.166 38.000 0.126 0.000 1.060 350 I HN 0.216 nan 8.210 nan 0.000 0.418 351 G N -0.215 108.582 108.800 -0.006 0.000 2.402 351 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.216 351 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.216 351 G C 1.581 176.483 174.900 0.002 0.000 1.162 351 G CA 0.713 45.797 45.100 -0.028 0.000 0.777 351 G HN 0.580 nan 8.290 nan 0.000 0.539 352 Q N -0.332 119.471 119.800 0.004 0.000 2.170 352 Q HA 0.065 4.405 4.340 -0.000 0.000 0.203 352 Q C 2.583 178.617 176.000 0.058 0.000 0.976 352 Q CA 0.719 56.538 55.803 0.027 0.000 0.858 352 Q CB -0.180 28.566 28.738 0.014 0.000 0.907 352 Q HN 0.431 nan 8.270 nan 0.000 0.433 353 L N -0.239 121.017 121.223 0.056 0.000 2.044 353 L HA -0.108 4.232 4.340 -0.000 0.000 0.205 353 L C 2.501 179.427 176.870 0.093 0.000 1.075 353 L CA 0.820 55.703 54.840 0.071 0.000 0.747 353 L CB -0.553 41.545 42.059 0.065 0.000 0.903 353 L HN 0.200 nan 8.230 nan 0.000 0.435 354 A N -0.387 122.489 122.820 0.093 0.000 1.902 354 A HA -0.208 4.112 4.320 -0.000 0.000 0.217 354 A C 2.493 180.154 177.584 0.129 0.000 1.181 354 A CA 2.073 54.173 52.037 0.106 0.000 0.623 354 A CB -0.683 18.377 19.000 0.101 0.000 0.818 354 A HN 0.380 nan 8.150 nan 0.000 0.443 355 S N -0.309 115.467 115.700 0.126 0.000 2.368 355 S HA -0.200 4.270 4.470 -0.000 0.000 0.226 355 S C 1.893 176.688 174.600 0.325 0.000 1.044 355 S CA 1.754 60.079 58.200 0.208 0.000 1.062 355 S CB -0.695 62.606 63.200 0.170 0.000 0.931 355 S HN 0.379 nan 8.310 nan 0.000 0.440 356 V N 1.514 121.564 119.914 0.226 0.000 2.407 356 V HA -0.124 3.996 4.120 -0.000 0.000 0.248 356 V C 2.226 178.443 176.094 0.205 0.000 1.055 356 V CA 1.468 63.900 62.300 0.220 0.000 1.049 356 V CB -0.685 31.219 31.823 0.134 0.000 0.662 356 V HN 0.317 nan 8.190 nan 0.000 0.455 357 L N -0.698 120.619 121.223 0.157 0.000 2.046 357 L HA -0.159 4.181 4.340 -0.000 0.000 0.208 357 L C 2.290 179.214 176.870 0.089 0.000 1.077 357 L CA 2.001 56.906 54.840 0.109 0.000 0.747 357 L CB -0.896 41.216 42.059 0.089 0.000 0.896 357 L HN 0.444 nan 8.230 nan 0.000 0.432 358 Y N -0.466 119.805 120.300 -0.048 0.000 2.053 358 Y HA -0.344 4.206 4.550 0.000 0.000 0.277 358 Y C 2.181 177.928 175.900 -0.255 0.000 1.159 358 Y CA 2.296 60.274 58.100 -0.203 0.000 1.125 358 Y CB -0.642 37.635 38.460 -0.306 0.000 0.969 358 Y HN 0.198 nan 8.280 nan 0.000 0.492 359 F N -1.017 119.005 119.950 0.120 0.000 2.451 359 F HA -0.113 4.414 4.527 -0.000 0.000 0.299 359 F C 1.926 177.710 175.800 -0.026 0.000 1.101 359 F CA 0.643 58.652 58.000 0.015 0.000 1.436 359 F CB -0.542 38.548 39.000 0.149 0.000 1.074 359 F HN 0.124 nan 8.300 nan 0.000 0.553 360 L N -1.098 120.196 121.223 0.119 0.000 2.049 360 L HA -0.124 4.216 4.340 -0.000 0.000 0.203 360 L C 2.297 179.154 176.870 -0.022 0.000 1.074 360 L CA 0.946 55.821 54.840 0.058 0.000 0.749 360 L CB -0.855 41.244 42.059 0.066 0.000 0.907 360 L HN -0.025 nan 8.230 nan 0.000 0.439 361 L N -0.382 120.800 121.223 -0.068 0.000 1.997 361 L HA -0.284 4.056 4.340 -0.000 0.000 0.216 361 L C 2.383 179.158 176.870 -0.159 0.000 1.074 361 L CA 2.043 56.816 54.840 -0.112 0.000 0.763 361 L CB -0.800 41.176 42.059 -0.139 0.000 0.890 361 L HN 0.220 nan 8.230 nan 0.000 0.434 362 I N -1.979 118.440 120.570 -0.252 0.000 2.277 362 I HA -0.258 3.912 4.170 -0.000 0.000 0.243 362 I C 2.194 178.209 176.117 -0.170 0.000 1.094 362 I CA 0.597 61.728 61.300 -0.281 0.000 1.393 362 I CB -0.087 37.620 38.000 -0.489 0.000 1.078 362 I HN 0.150 nan 8.210 nan 0.000 0.417 363 L N -0.824 120.340 121.223 -0.097 0.000 2.240 363 L HA -0.015 4.325 4.340 -0.000 0.000 0.211 363 L C 1.680 178.543 176.870 -0.012 0.000 1.106 363 L CA 1.251 56.080 54.840 -0.018 0.000 0.793 363 L CB 0.322 42.433 42.059 0.087 0.000 0.927 363 L HN 0.013 nan 8.230 nan 0.000 0.446 364 V N -3.092 116.810 119.914 -0.021 0.000 3.161 364 V HA 0.044 4.164 4.120 -0.000 0.000 0.228 364 V C 1.487 177.565 176.094 -0.027 0.000 1.415 364 V CA 0.085 62.378 62.300 -0.012 0.000 1.285 364 V CB 0.627 32.458 31.823 0.013 0.000 1.100 364 V HN 0.035 nan 8.190 nan 0.000 0.478 365 L N -0.352 120.849 121.223 -0.035 0.000 2.095 365 L HA 0.074 4.414 4.340 -0.000 0.000 0.204 365 L C 2.199 179.038 176.870 -0.051 0.000 1.080 365 L CA 2.196 57.015 54.840 -0.035 0.000 0.759 365 L CB -0.530 41.512 42.059 -0.029 0.000 0.914 365 L HN 0.262 nan 8.230 nan 0.000 0.439 366 M N -1.053 118.501 119.600 -0.077 0.000 2.156 366 M HA -0.091 4.389 4.480 -0.000 0.000 0.264 366 M C -0.369 175.867 176.300 -0.107 0.000 1.067 366 M CA 1.694 56.937 55.300 -0.095 0.000 1.131 366 M CB -1.091 31.437 32.600 -0.121 0.000 1.368 366 M HN 0.068 nan 8.290 nan 0.000 0.416 367 P HA -0.124 nan 4.420 nan 0.000 0.215 367 P C 1.228 178.481 177.300 -0.078 0.000 1.157 367 P CA 1.521 64.560 63.100 -0.103 0.000 0.868 367 P CB -0.304 31.348 31.700 -0.080 0.000 0.788 368 T N -0.553 113.969 114.554 -0.054 0.000 2.720 368 T HA -0.173 4.177 4.350 -0.000 0.000 0.268 368 T C 1.891 176.569 174.700 -0.037 0.000 1.037 368 T CA 1.741 63.819 62.100 -0.037 0.000 1.144 368 T CB -0.957 67.898 68.868 -0.022 0.000 0.864 368 T HN 0.079 nan 8.240 nan 0.000 0.444 369 A N 1.459 124.253 122.820 -0.044 0.000 1.898 369 A HA 0.185 4.505 4.320 -0.000 0.000 0.216 369 A C 2.694 180.252 177.584 -0.043 0.000 1.181 369 A CA 1.716 53.732 52.037 -0.035 0.000 0.620 369 A CB -1.435 17.544 19.000 -0.035 0.000 0.819 369 A HN 0.500 nan 8.150 nan 0.000 0.442 370 G N -0.545 108.209 108.800 -0.078 0.000 2.503 370 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.221 370 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.221 370 G C 1.553 176.416 174.900 -0.061 0.000 1.131 370 G CA 1.893 46.933 45.100 -0.100 0.000 0.756 370 G HN 0.500 nan 8.290 nan 0.000 0.572 371 T N 0.772 115.296 114.554 -0.050 0.000 2.896 371 T HA 0.077 4.427 4.350 -0.000 0.000 0.263 371 T C 2.389 177.092 174.700 0.004 0.000 1.050 371 T CA 0.726 62.811 62.100 -0.025 0.000 1.140 371 T CB -0.042 68.810 68.868 -0.026 0.000 0.877 371 T HN 0.245 nan 8.240 nan 0.000 0.457 372 I N 1.593 122.164 120.570 0.002 0.000 2.226 372 I HA -0.174 3.996 4.170 -0.000 0.000 0.245 372 I C 2.522 178.658 176.117 0.031 0.000 1.100 372 I CA 1.422 62.730 61.300 0.014 0.000 1.374 372 I CB -0.342 37.663 38.000 0.008 0.000 1.057 372 I HN 0.283 nan 8.210 nan 0.000 0.413 373 E N 0.496 120.716 120.200 0.033 0.000 2.204 373 E HA -0.190 4.160 4.350 -0.000 0.000 0.195 373 E C 1.772 178.441 176.600 0.115 0.000 0.990 373 E CA 0.874 57.311 56.400 0.061 0.000 0.821 373 E CB -0.193 29.542 29.700 0.058 0.000 0.750 373 E HN 0.458 nan 8.360 nan 0.000 0.477 374 N N 1.049 119.819 118.700 0.117 0.000 2.058 374 N HA -0.127 4.613 4.740 -0.000 0.000 0.191 374 N C 1.485 177.099 175.510 0.174 0.000 1.037 374 N CA 1.018 54.184 53.050 0.192 0.000 0.848 374 N CB -0.065 38.485 38.487 0.106 0.000 1.021 374 N HN 0.067 nan 8.380 nan 0.000 0.422 375 K N 0.849 121.307 120.400 0.096 0.000 2.211 375 K HA 0.030 4.350 4.320 -0.000 0.000 0.203 375 K C 2.133 178.762 176.600 0.048 0.000 1.050 375 K CA 0.322 56.650 56.287 0.069 0.000 0.945 375 K CB -0.397 32.129 32.500 0.042 0.000 0.732 375 K HN 0.252 nan 8.250 nan 0.000 0.451 376 L N 0.474 121.723 121.223 0.044 0.000 2.093 376 L HA -0.094 4.246 4.340 -0.000 0.000 0.208 376 L C 2.081 178.943 176.870 -0.013 0.000 1.085 376 L CA 0.886 55.737 54.840 0.018 0.000 0.755 376 L CB -0.216 41.855 42.059 0.021 0.000 0.904 376 L HN 0.059 nan 8.230 nan 0.000 0.435 377 L N -0.824 120.397 121.223 -0.003 0.000 2.592 377 L HA 0.041 4.381 4.340 -0.000 0.000 0.227 377 L C 0.237 177.002 176.870 -0.176 0.000 1.127 377 L CA 0.027 54.784 54.840 -0.139 0.000 0.884 377 L CB -0.024 41.895 42.059 -0.233 0.000 1.065 377 L HN 0.167 nan 8.230 nan 0.000 0.457 378 K N -0.291 120.100 120.400 -0.014 0.000 3.549 378 K HA -0.202 4.118 4.320 -0.000 0.000 0.275 378 K C -0.946 175.736 176.600 0.137 0.000 1.060 378 K CA 0.247 56.547 56.287 0.022 0.000 0.812 378 K CB -0.875 31.600 32.500 -0.042 0.000 1.374 378 K HN 0.215 nan 8.250 nan 0.000 0.455 379 W N 0.000 121.296 121.300 -0.007 0.000 2.388 379 W HA 0.000 4.660 4.660 0.000 0.000 0.303 379 W CA 0.000 57.342 57.345 -0.005 0.000 1.226 379 W CB 0.000 29.457 29.460 -0.006 0.000 1.126 379 W HN 0.000 nan 8.180 nan 0.000 0.535