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 3l72_1_C DATA FIRST_RESID 1 DATA SEQUENCE MAPNIRKSHP LLKMINNSLI DLPAPSNISA WWNFGSLLAV CLMTQILTGL DATA SEQUENCE LLAMHYTADT SLAFSSVAHT CRNVQYGWLI RNLHANGASF FFICIFLHIG DATA SEQUENCE RGLYYGSYLY KETWNTGVIL LLTLMATAFV GYVLPWGQMS FWGATVITNL DATA SEQUENCE FSAIPYIGHT LVEWAWGGFS VDNPTLTRFF ALHFLLPFAI AGITIIHLTF DATA SEQUENCE LHESGSNNPL GISSDSDKIP FHPYYSFKDI LGLTLMLTPF LTLALFSPNL DATA SEQUENCE LGDPENFTPA NPLVTPPHIK PEWYFLFAYA ILRSIPNKLG GVLALAASVL DATA SEQUENCE ILFLIPFLHK SKQRTMTFRP LSQTLFWLLV ANLLILTWIG SQPVEHPFII DATA SEQUENCE IGQMASLSYF TILLILFPTI GTLENKMLNY VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.305 176.300 0.008 0.000 1.140 1 M CA 0.000 55.304 55.300 0.006 0.000 0.988 1 M CB 0.000 32.606 32.600 0.011 0.000 1.302 2 A N 0.968 123.795 122.820 0.012 0.000 2.350 2 A HA 0.912 5.231 4.320 -0.000 0.000 0.318 2 A C -1.518 176.074 177.584 0.012 0.000 1.132 2 A CA -0.616 51.428 52.037 0.011 0.000 0.811 2 A CB 0.518 19.526 19.000 0.012 0.000 1.313 2 A HN 0.954 nan 8.150 nan 0.000 0.454 3 P HA -0.116 nan 4.420 nan 0.000 0.208 3 P C -0.144 177.162 177.300 0.009 0.000 1.189 3 P CA 1.088 64.193 63.100 0.008 0.000 0.931 3 P CB -0.499 31.205 31.700 0.007 0.000 0.783 4 N N 0.815 119.520 118.700 0.009 0.000 2.488 4 N HA 0.036 4.776 4.740 -0.000 0.000 0.274 4 N C 0.801 176.320 175.510 0.013 0.000 1.111 4 N CA -0.381 52.673 53.050 0.007 0.000 0.974 4 N CB 0.956 39.446 38.487 0.004 0.000 1.089 4 N HN -0.036 nan 8.380 nan 0.000 0.465 5 I N 0.542 121.119 120.570 0.011 0.000 3.454 5 I HA -0.087 4.083 4.170 -0.000 0.000 0.297 5 I C 1.973 178.105 176.117 0.024 0.000 1.298 5 I CA 0.568 61.883 61.300 0.025 0.000 1.297 5 I CB -1.387 36.618 38.000 0.007 0.000 1.017 5 I HN 0.667 nan 8.210 nan 0.000 0.528 6 R N 1.555 122.063 120.500 0.014 0.000 2.090 6 R HA -0.012 4.328 4.340 -0.000 0.000 0.219 6 R C 1.784 178.103 176.300 0.032 0.000 1.100 6 R CA 0.721 56.827 56.100 0.010 0.000 0.991 6 R CB 0.316 30.614 30.300 -0.003 0.000 0.893 6 R HN 0.223 nan 8.270 nan 0.000 0.443 7 K N -0.326 120.092 120.400 0.030 0.000 2.356 7 K HA 0.054 4.374 4.320 -0.000 0.000 0.195 7 K C 1.826 178.446 176.600 0.033 0.000 1.037 7 K CA 0.869 57.173 56.287 0.028 0.000 1.014 7 K CB 0.618 33.128 32.500 0.018 0.000 0.815 7 K HN 0.149 nan 8.250 nan 0.000 0.507 8 S N -0.355 115.372 115.700 0.046 0.000 2.427 8 S HA -0.051 4.419 4.470 -0.000 0.000 0.224 8 S C 0.824 175.456 174.600 0.054 0.000 1.047 8 S CA -0.027 58.197 58.200 0.041 0.000 0.953 8 S CB -0.520 62.702 63.200 0.037 0.000 0.824 8 S HN 0.302 nan 8.310 nan 0.000 0.502 9 H N 5.370 124.436 119.070 -0.007 0.000 3.064 9 H HA 0.137 4.693 4.556 -0.000 0.000 0.329 9 H C -1.555 173.768 175.328 -0.008 0.000 1.020 9 H CA -0.529 55.515 56.048 -0.007 0.000 1.402 9 H CB 0.848 30.605 29.762 -0.008 0.000 1.379 9 H HN 0.097 nan 8.280 nan 0.000 0.594 10 P HA -0.126 nan 4.420 nan 0.000 0.230 10 P C 0.703 177.972 177.300 -0.052 0.000 1.158 10 P CA 1.140 64.136 63.100 -0.174 0.000 0.769 10 P CB 0.568 32.140 31.700 -0.213 0.000 0.807 11 L N -1.766 119.519 121.223 0.104 0.000 2.515 11 L HA 0.151 4.490 4.340 -0.000 0.000 0.202 11 L C 2.563 179.551 176.870 0.197 0.000 1.056 11 L CA 0.223 55.182 54.840 0.199 0.000 0.847 11 L CB -0.649 41.554 42.059 0.239 0.000 1.131 11 L HN -0.193 nan 8.230 nan 0.000 0.484 12 L N 0.899 122.295 121.223 0.289 0.000 2.191 12 L HA -0.208 4.132 4.340 -0.000 0.000 0.212 12 L C 2.574 179.481 176.870 0.062 0.000 1.103 12 L CA 1.269 56.149 54.840 0.067 0.000 0.769 12 L CB -0.485 41.541 42.059 -0.055 0.000 0.908 12 L HN 0.299 nan 8.230 nan 0.000 0.438 13 K N 0.441 120.898 120.400 0.095 0.000 2.288 13 K HA -0.122 4.198 4.320 -0.000 0.000 0.201 13 K C 1.970 178.587 176.600 0.029 0.000 1.048 13 K CA 1.028 57.345 56.287 0.050 0.000 0.956 13 K CB 0.088 32.615 32.500 0.044 0.000 0.746 13 K HN 0.316 nan 8.250 nan 0.000 0.461 14 M N 0.517 120.139 119.600 0.037 0.000 2.191 14 M HA -0.016 4.464 4.480 -0.000 0.000 0.262 14 M C 2.229 178.535 176.300 0.010 0.000 1.083 14 M CA 1.155 56.469 55.300 0.023 0.000 1.154 14 M CB -0.303 32.313 32.600 0.026 0.000 1.344 14 M HN 0.054 nan 8.290 nan 0.000 0.431 15 I N 0.911 121.486 120.570 0.009 0.000 2.208 15 I HA -0.309 3.861 4.170 -0.000 0.000 0.245 15 I C 2.271 178.371 176.117 -0.028 0.000 1.097 15 I CA 1.595 62.887 61.300 -0.013 0.000 1.363 15 I CB -0.840 37.151 38.000 -0.014 0.000 1.051 15 I HN 0.408 nan 8.210 nan 0.000 0.413 16 N N 1.534 120.225 118.700 -0.015 0.000 2.080 16 N HA -0.171 4.569 4.740 -0.000 0.000 0.189 16 N C 1.367 176.863 175.510 -0.023 0.000 1.036 16 N CA 1.451 54.493 53.050 -0.014 0.000 0.846 16 N CB -0.198 38.288 38.487 -0.002 0.000 1.015 16 N HN 0.176 nan 8.380 nan 0.000 0.423 17 N N -0.485 118.200 118.700 -0.024 0.000 2.485 17 N HA -0.000 4.739 4.740 -0.000 0.000 0.199 17 N C -0.021 175.423 175.510 -0.109 0.000 1.236 17 N CA 0.780 53.802 53.050 -0.046 0.000 0.852 17 N CB 0.181 38.654 38.487 -0.024 0.000 1.018 17 N HN 0.494 nan 8.380 nan 0.000 0.457 18 S N -1.708 113.919 115.700 -0.122 0.000 2.800 18 S HA 0.274 4.744 4.470 -0.000 0.000 0.266 18 S C 0.467 174.898 174.600 -0.282 0.000 1.029 18 S CA -0.410 57.679 58.200 -0.186 0.000 1.302 18 S CB 0.176 63.431 63.200 0.093 0.000 1.212 18 S HN 0.125 nan 8.310 nan 0.000 0.683 19 L N 0.470 121.521 121.223 -0.286 0.000 4.070 19 L HA 0.514 4.854 4.340 -0.000 0.000 0.398 19 L C 0.149 176.979 176.870 -0.066 0.000 1.215 19 L CA 0.224 54.759 54.840 -0.508 0.000 1.332 19 L CB 0.475 42.339 42.059 -0.325 0.000 1.499 19 L HN 0.258 nan 8.230 nan 0.000 0.613 20 I N -1.509 119.104 120.570 0.073 0.000 4.505 20 I HA 0.087 4.257 4.170 -0.000 0.000 0.294 20 I C 0.288 176.523 176.117 0.197 0.000 1.144 20 I CA 0.239 61.667 61.300 0.213 0.000 1.325 20 I CB 0.941 38.985 38.000 0.073 0.000 1.663 20 I HN -0.053 nan 8.210 nan 0.000 0.454 21 D N 1.485 121.946 120.400 0.101 0.000 2.402 21 D HA 0.203 4.843 4.640 -0.000 0.000 0.216 21 D C 0.159 176.502 176.300 0.073 0.000 1.128 21 D CA -0.073 53.979 54.000 0.087 0.000 0.833 21 D CB 0.563 41.390 40.800 0.045 0.000 0.971 21 D HN -0.031 nan 8.370 nan 0.000 0.503 22 L N 1.778 123.044 121.223 0.071 0.000 2.477 22 L HA 0.273 4.613 4.340 -0.000 0.000 0.272 22 L C -2.476 174.454 176.870 0.100 0.000 1.157 22 L CA -1.309 53.538 54.840 0.010 0.000 0.889 22 L CB 0.372 42.374 42.059 -0.095 0.000 1.158 22 L HN -0.221 nan 8.230 nan 0.000 0.473 23 P HA 0.302 nan 4.420 nan 0.000 0.276 23 P C -1.313 176.038 177.300 0.084 0.000 1.264 23 P CA 0.005 63.152 63.100 0.077 0.000 0.769 23 P CB 0.998 32.720 31.700 0.036 0.000 0.840 24 A N 5.598 128.501 122.820 0.139 0.000 2.401 24 A HA 0.735 5.055 4.320 -0.000 0.000 0.310 24 A C -2.755 174.873 177.584 0.072 0.000 1.075 24 A CA -2.265 49.822 52.037 0.084 0.000 0.746 24 A CB 0.799 19.852 19.000 0.088 0.000 1.277 24 A HN 0.266 nan 8.150 nan 0.000 0.425 25 P HA 0.044 nan 4.420 nan 0.000 0.266 25 P C 0.987 178.288 177.300 0.002 0.000 1.195 25 P CA 0.421 63.486 63.100 -0.058 0.000 0.768 25 P CB 0.826 32.423 31.700 -0.172 0.000 0.838 26 S N 1.551 117.236 115.700 -0.024 0.000 2.447 26 S HA -0.130 4.340 4.470 -0.000 0.000 0.233 26 S C 1.149 175.705 174.600 -0.073 0.000 1.006 26 S CA 0.977 59.142 58.200 -0.059 0.000 0.957 26 S CB -0.781 62.355 63.200 -0.107 0.000 0.773 26 S HN 0.579 nan 8.310 nan 0.000 0.507 27 N N 1.994 120.632 118.700 -0.102 0.000 2.205 27 N HA 0.099 4.839 4.740 -0.000 0.000 0.201 27 N C 0.492 175.858 175.510 -0.239 0.000 1.128 27 N CA -0.338 52.631 53.050 -0.134 0.000 0.867 27 N CB -0.593 37.822 38.487 -0.120 0.000 0.996 27 N HN 0.710 nan 8.380 nan 0.000 0.503 28 I N 0.774 121.122 120.570 -0.370 0.000 2.752 28 I HA 0.036 4.206 4.170 -0.000 0.000 0.289 28 I C 0.850 176.780 176.117 -0.313 0.000 1.197 28 I CA -0.556 60.280 61.300 -0.773 0.000 1.432 28 I CB 0.331 37.666 38.000 -1.109 0.000 1.359 28 I HN 0.052 nan 8.210 nan 0.000 0.571 29 S N 4.870 120.436 115.700 -0.223 0.000 2.477 29 S HA 0.539 5.009 4.470 -0.000 0.000 0.261 29 S C 1.365 176.052 174.600 0.145 0.000 1.197 29 S CA -0.199 58.040 58.200 0.065 0.000 1.015 29 S CB 0.830 64.146 63.200 0.193 0.000 1.077 29 S HN 0.876 nan 8.310 nan 0.000 0.505 30 A N -0.676 122.150 122.820 0.010 0.000 2.014 30 A HA 0.103 4.423 4.320 -0.000 0.000 0.218 30 A C 1.580 179.030 177.584 -0.224 0.000 1.163 30 A CA 0.523 52.450 52.037 -0.184 0.000 0.652 30 A CB -1.184 17.597 19.000 -0.366 0.000 0.808 30 A HN 0.848 nan 8.150 nan 0.000 0.449 31 W N -1.580 119.850 121.300 0.216 0.000 2.982 31 W HA 0.008 4.668 4.660 -0.000 0.000 0.239 31 W C 1.238 177.802 176.519 0.075 0.000 1.303 31 W CA -0.462 57.012 57.345 0.215 0.000 1.448 31 W CB -0.120 29.459 29.460 0.198 0.000 1.133 31 W HN 0.467 nan 8.180 nan 0.000 0.698 32 W N -0.494 120.822 121.300 0.028 0.000 3.008 32 W HA 0.071 4.731 4.660 -0.000 0.000 0.355 32 W C 0.715 177.214 176.519 -0.033 0.000 1.095 32 W CA -0.133 57.229 57.345 0.028 0.000 1.738 32 W CB -0.150 29.285 29.460 -0.040 0.000 1.091 32 W HN -0.088 nan 8.180 nan 0.000 0.574 33 N N 0.210 118.855 118.700 -0.092 0.000 2.416 33 N HA -0.073 4.667 4.740 -0.000 0.000 0.177 33 N C 1.207 176.579 175.510 -0.231 0.000 1.036 33 N CA 0.979 53.906 53.050 -0.205 0.000 0.901 33 N CB -0.675 37.573 38.487 -0.398 0.000 0.976 33 N HN -0.086 nan 8.380 nan 0.000 0.444 34 F N 0.708 120.726 119.950 0.115 0.000 2.269 34 F HA 0.047 4.574 4.527 -0.000 0.000 0.301 34 F C 2.422 178.182 175.800 -0.066 0.000 1.082 34 F CA 0.748 58.771 58.000 0.038 0.000 1.360 34 F CB -1.115 37.956 39.000 0.118 0.000 1.041 34 F HN 0.061 nan 8.300 nan 0.000 0.512 35 G N -0.032 108.868 108.800 0.166 0.000 2.459 35 G HA2 -0.289 3.670 3.960 -0.000 0.000 0.217 35 G HA3 -0.289 3.670 3.960 -0.000 0.000 0.217 35 G C 1.825 176.711 174.900 -0.023 0.000 1.183 35 G CA 1.376 46.484 45.100 0.013 0.000 0.776 35 G HN 0.454 nan 8.290 nan 0.000 0.552 36 S N 0.693 116.425 115.700 0.052 0.000 2.368 36 S HA 0.029 4.499 4.470 -0.000 0.000 0.224 36 S C 2.365 176.964 174.600 -0.003 0.000 1.029 36 S CA 1.060 59.290 58.200 0.049 0.000 0.988 36 S CB -0.450 62.823 63.200 0.122 0.000 0.838 36 S HN 0.284 nan 8.310 nan 0.000 0.462 37 L N 0.995 122.218 121.223 -0.000 0.000 2.012 37 L HA -0.090 4.250 4.340 -0.000 0.000 0.210 37 L C 2.734 179.516 176.870 -0.148 0.000 1.073 37 L CA 1.350 56.196 54.840 0.010 0.000 0.748 37 L CB -0.790 41.300 42.059 0.052 0.000 0.891 37 L HN 0.291 nan 8.230 nan 0.000 0.431 38 L N -0.437 120.625 121.223 -0.269 0.000 2.013 38 L HA -0.289 4.051 4.340 -0.000 0.000 0.212 38 L C 2.882 179.468 176.870 -0.473 0.000 1.073 38 L CA 1.422 55.946 54.840 -0.527 0.000 0.753 38 L CB -0.724 41.031 42.059 -0.506 0.000 0.890 38 L HN 0.309 nan 8.230 nan 0.000 0.432 39 A N -0.337 122.335 122.820 -0.247 0.000 1.845 39 A HA -0.181 4.139 4.320 -0.000 0.000 0.215 39 A C 2.288 179.785 177.584 -0.145 0.000 1.195 39 A CA 2.020 53.963 52.037 -0.157 0.000 0.616 39 A CB -1.019 17.940 19.000 -0.069 0.000 0.832 39 A HN 0.179 nan 8.150 nan 0.000 0.443 40 V N -0.773 119.086 119.914 -0.092 0.000 2.252 40 V HA -0.375 3.745 4.120 -0.000 0.000 0.249 40 V C 2.704 178.751 176.094 -0.078 0.000 1.056 40 V CA 2.102 64.374 62.300 -0.048 0.000 1.022 40 V CB -1.404 30.425 31.823 0.011 0.000 0.641 40 V HN 0.798 nan 8.190 nan 0.000 0.445 41 C N -0.347 118.868 119.300 -0.142 0.000 2.376 41 C HA -0.233 4.227 4.460 -0.000 0.000 0.275 41 C C 2.676 177.527 174.990 -0.231 0.000 1.200 41 C CA 1.805 60.694 59.018 -0.215 0.000 1.756 41 C CB -1.132 26.273 27.740 -0.559 0.000 2.050 41 C HN 0.619 nan 8.230 nan 0.000 0.460 42 L N 0.767 121.797 121.223 -0.323 0.000 1.989 42 L HA -0.169 4.171 4.340 -0.000 0.000 0.211 42 L C 2.433 179.296 176.870 -0.012 0.000 1.071 42 L CA 2.438 57.278 54.840 0.000 0.000 0.749 42 L CB -0.800 41.251 42.059 -0.013 0.000 0.890 42 L HN 0.390 nan 8.230 nan 0.000 0.431 43 M N -1.158 118.413 119.600 -0.048 0.000 2.108 43 M HA -0.220 4.260 4.480 -0.000 0.000 0.261 43 M C 1.971 178.262 176.300 -0.015 0.000 1.066 43 M CA 2.427 57.705 55.300 -0.036 0.000 1.107 43 M CB -0.849 31.735 32.600 -0.028 0.000 1.356 43 M HN 0.452 nan 8.290 nan 0.000 0.406 44 T N -0.942 113.613 114.554 0.001 0.000 2.746 44 T HA -0.152 4.198 4.350 -0.000 0.000 0.267 44 T C 1.842 176.585 174.700 0.072 0.000 1.039 44 T CA 0.914 63.035 62.100 0.034 0.000 1.142 44 T CB -0.332 68.567 68.868 0.051 0.000 0.866 44 T HN 0.307 nan 8.240 nan 0.000 0.444 45 Q N 0.927 120.774 119.800 0.078 0.000 2.020 45 Q HA 0.061 4.401 4.340 -0.000 0.000 0.202 45 Q C 2.530 178.598 176.000 0.113 0.000 0.982 45 Q CA 1.233 57.098 55.803 0.103 0.000 0.838 45 Q CB -0.657 28.108 28.738 0.045 0.000 0.899 45 Q HN 0.574 nan 8.270 nan 0.000 0.423 46 I N 0.391 120.946 120.570 -0.026 0.000 2.264 46 I HA -0.294 3.876 4.170 -0.000 0.000 0.248 46 I C 2.274 178.348 176.117 -0.071 0.000 1.111 46 I CA 0.678 61.895 61.300 -0.139 0.000 1.382 46 I CB -0.263 37.584 38.000 -0.255 0.000 1.060 46 I HN 0.147 nan 8.210 nan 0.000 0.418 47 L N 0.553 121.767 121.223 -0.015 0.000 2.023 47 L HA -0.174 4.166 4.340 -0.000 0.000 0.205 47 L C 2.791 179.665 176.870 0.006 0.000 1.073 47 L CA 2.482 57.321 54.840 -0.001 0.000 0.745 47 L CB -0.898 41.165 42.059 0.007 0.000 0.900 47 L HN 0.403 nan 8.230 nan 0.000 0.435 48 T N -3.437 111.152 114.554 0.058 0.000 2.788 48 T HA -0.090 4.259 4.350 -0.000 0.000 0.268 48 T C 1.973 176.617 174.700 -0.092 0.000 1.044 48 T CA 0.954 63.090 62.100 0.059 0.000 1.139 48 T CB -1.541 67.452 68.868 0.210 0.000 0.867 48 T HN 0.394 nan 8.240 nan 0.000 0.454 49 G N 1.629 110.354 108.800 -0.125 0.000 2.421 49 G HA2 -0.069 3.891 3.960 -0.000 0.000 0.216 49 G HA3 -0.069 3.891 3.960 -0.000 0.000 0.216 49 G C 1.551 176.295 174.900 -0.260 0.000 1.171 49 G CA 0.783 45.632 45.100 -0.418 0.000 0.775 49 G HN 0.507 nan 8.290 nan 0.000 0.543 50 L N -0.189 120.924 121.223 -0.184 0.000 2.012 50 L HA -0.057 4.283 4.340 -0.000 0.000 0.210 50 L C 2.939 179.789 176.870 -0.032 0.000 1.073 50 L CA 0.752 55.514 54.840 -0.129 0.000 0.748 50 L CB -0.399 41.635 42.059 -0.041 0.000 0.891 50 L HN 0.182 nan 8.230 nan 0.000 0.431 51 L N -0.672 120.542 121.223 -0.014 0.000 2.129 51 L HA -0.272 4.068 4.340 -0.000 0.000 0.212 51 L C 2.407 179.342 176.870 0.108 0.000 1.087 51 L CA 1.194 56.063 54.840 0.048 0.000 0.757 51 L CB -0.243 41.837 42.059 0.036 0.000 0.896 51 L HN 0.315 nan 8.230 nan 0.000 0.434 52 L N -1.302 119.930 121.223 0.016 0.000 2.127 52 L HA -0.065 4.275 4.340 -0.000 0.000 0.203 52 L C 2.729 179.672 176.870 0.122 0.000 1.080 52 L CA 0.831 55.702 54.840 0.050 0.000 0.768 52 L CB -0.655 41.327 42.059 -0.127 0.000 0.924 52 L HN 0.189 nan 8.230 nan 0.000 0.444 53 A N -0.025 122.850 122.820 0.092 0.000 2.131 53 A HA -0.170 4.150 4.320 -0.000 0.000 0.220 53 A C 2.124 179.848 177.584 0.232 0.000 1.158 53 A CA 1.287 53.485 52.037 0.269 0.000 0.665 53 A CB -0.459 18.711 19.000 0.283 0.000 0.795 53 A HN 0.410 nan 8.150 nan 0.000 0.460 54 M N -1.550 118.102 119.600 0.085 0.000 2.618 54 M HA 0.038 4.518 4.480 -0.000 0.000 0.240 54 M C 0.617 176.692 176.300 -0.374 0.000 1.123 54 M CA 0.900 56.129 55.300 -0.117 0.000 1.060 54 M CB -0.228 32.244 32.600 -0.214 0.000 1.535 54 M HN 0.571 nan 8.290 nan 0.000 0.507 55 H N -2.965 116.180 119.070 0.126 0.000 3.398 55 H HA 0.172 4.728 4.556 -0.000 0.000 0.260 55 H C -0.628 174.763 175.328 0.106 0.000 1.189 55 H CA -0.385 55.733 56.048 0.117 0.000 1.145 55 H CB 0.624 30.482 29.762 0.160 0.000 1.599 55 H HN 0.172 nan 8.280 nan 0.000 0.615 56 Y N 1.542 121.855 120.300 0.021 0.000 2.301 56 Y HA 0.431 4.981 4.550 -0.000 0.000 0.325 56 Y C -0.267 175.506 175.900 -0.212 0.000 1.203 56 Y CA -0.295 57.740 58.100 -0.109 0.000 1.255 56 Y CB 1.192 39.538 38.460 -0.190 0.000 1.232 56 Y HN -0.116 nan 8.280 nan 0.000 0.501 57 T N 5.686 119.637 114.554 -1.004 0.000 2.864 57 T HA 0.519 4.869 4.350 -0.000 0.000 0.299 57 T C -0.709 173.255 174.700 -1.226 0.000 1.011 57 T CA -0.498 61.100 62.100 -0.837 0.000 0.975 57 T CB 0.454 69.044 68.868 -0.464 0.000 0.962 57 T HN 0.784 nan 8.240 nan 0.000 0.448 58 A N 3.783 126.015 122.820 -0.980 0.000 2.906 58 A HA 0.518 4.838 4.320 -0.000 0.000 0.289 58 A C 0.023 177.355 177.584 -0.419 0.000 1.675 58 A CA -0.132 51.513 52.037 -0.654 0.000 1.372 58 A CB -0.570 18.255 19.000 -0.292 0.000 1.091 58 A HN 0.816 nan 8.150 nan 0.000 0.579 59 D N 0.526 120.645 120.400 -0.468 0.000 2.871 59 D HA 0.245 4.885 4.640 -0.000 0.000 0.209 59 D C 1.280 177.303 176.300 -0.462 0.000 1.292 59 D CA 0.306 54.071 54.000 -0.392 0.000 0.869 59 D CB 1.112 41.736 40.800 -0.294 0.000 1.663 59 D HN 0.256 nan 8.370 nan 0.000 0.557 60 T N 0.060 114.262 114.554 -0.586 0.000 2.751 60 T HA -0.292 4.058 4.350 -0.000 0.000 0.268 60 T C 1.765 176.275 174.700 -0.317 0.000 1.045 60 T CA 1.881 63.560 62.100 -0.702 0.000 1.142 60 T CB -0.463 68.092 68.868 -0.522 0.000 0.851 60 T HN 0.346 nan 8.240 nan 0.000 0.474 61 S N 0.838 116.404 115.700 -0.223 0.000 2.522 61 S HA 0.244 4.714 4.470 -0.000 0.000 0.227 61 S C 1.620 176.160 174.600 -0.101 0.000 0.986 61 S CA 0.255 58.381 58.200 -0.124 0.000 0.929 61 S CB -0.399 62.735 63.200 -0.111 0.000 0.769 61 S HN 0.632 nan 8.310 nan 0.000 0.529 62 L N -0.449 120.681 121.223 -0.155 0.000 3.174 62 L HA 0.498 4.838 4.340 -0.000 0.000 0.283 62 L C 2.380 179.164 176.870 -0.144 0.000 1.187 62 L CA 0.374 55.135 54.840 -0.132 0.000 1.018 62 L CB -0.329 41.618 42.059 -0.186 0.000 1.433 62 L HN 0.259 nan 8.230 nan 0.000 0.593 63 A N 1.286 123.997 122.820 -0.181 0.000 1.842 63 A HA -0.292 4.028 4.320 -0.000 0.000 0.217 63 A C 2.059 179.716 177.584 0.121 0.000 1.206 63 A CA 2.097 54.065 52.037 -0.115 0.000 0.630 63 A CB -0.952 18.014 19.000 -0.057 0.000 0.839 63 A HN 0.377 nan 8.150 nan 0.000 0.447 64 F N 1.892 121.894 119.950 0.086 0.000 2.091 64 F HA -0.275 4.252 4.527 -0.000 0.000 0.299 64 F C 2.781 178.611 175.800 0.051 0.000 1.103 64 F CA 2.533 60.589 58.000 0.093 0.000 1.228 64 F CB -0.183 38.877 39.000 0.100 0.000 0.984 64 F HN 0.331 nan 8.300 nan 0.000 0.477 65 S N -0.601 115.260 115.700 0.269 0.000 2.428 65 S HA -0.155 4.315 4.470 -0.000 0.000 0.230 65 S C 2.144 176.779 174.600 0.060 0.000 1.014 65 S CA 0.823 59.121 58.200 0.162 0.000 0.957 65 S CB -1.090 62.206 63.200 0.159 0.000 0.784 65 S HN 0.552 nan 8.310 nan 0.000 0.499 66 S N 1.605 117.313 115.700 0.013 0.000 2.383 66 S HA -0.027 4.443 4.470 -0.000 0.000 0.227 66 S C 1.805 176.475 174.600 0.115 0.000 1.026 66 S CA 0.936 59.144 58.200 0.012 0.000 0.981 66 S CB -0.993 62.136 63.200 -0.119 0.000 0.818 66 S HN 0.340 nan 8.310 nan 0.000 0.472 67 V N 2.546 122.498 119.914 0.064 0.000 2.270 67 V HA -0.083 4.037 4.120 -0.000 0.000 0.245 67 V C 3.172 179.233 176.094 -0.056 0.000 1.043 67 V CA 1.705 64.009 62.300 0.007 0.000 1.014 67 V CB -1.439 30.320 31.823 -0.106 0.000 0.645 67 V HN 0.661 nan 8.190 nan 0.000 0.447 68 A N -0.558 122.177 122.820 -0.141 0.000 1.908 68 A HA -0.324 3.996 4.320 -0.000 0.000 0.218 68 A C 2.247 179.835 177.584 0.007 0.000 1.181 68 A CA 2.177 54.151 52.037 -0.106 0.000 0.627 68 A CB -0.956 17.985 19.000 -0.099 0.000 0.818 68 A HN 0.765 nan 8.150 nan 0.000 0.445 69 H N 0.068 119.120 119.070 -0.031 0.000 2.321 69 H HA -0.114 4.442 4.556 -0.000 0.000 0.300 69 H C 1.908 177.220 175.328 -0.027 0.000 1.087 69 H CA 2.158 58.198 56.048 -0.012 0.000 1.319 69 H CB -0.517 29.246 29.762 0.001 0.000 1.379 69 H HN 0.401 nan 8.280 nan 0.000 0.501 70 T N 0.468 115.047 114.554 0.041 0.000 2.720 70 T HA -0.167 4.183 4.350 -0.000 0.000 0.268 70 T C 2.491 177.117 174.700 -0.124 0.000 1.037 70 T CA 1.473 63.530 62.100 -0.073 0.000 1.144 70 T CB -0.632 68.262 68.868 0.044 0.000 0.864 70 T HN 0.471 nan 8.240 nan 0.000 0.444 71 C N 1.007 120.280 119.300 -0.046 0.000 2.476 71 C HA 0.078 4.538 4.460 -0.000 0.000 0.278 71 C C 2.863 177.868 174.990 0.025 0.000 1.274 71 C CA 0.253 59.293 59.018 0.036 0.000 1.713 71 C CB -0.864 26.910 27.740 0.057 0.000 2.039 71 C HN 0.529 nan 8.230 nan 0.000 0.484 72 R N 0.978 121.450 120.500 -0.047 0.000 2.153 72 R HA 0.007 4.347 4.340 -0.000 0.000 0.218 72 R C 1.413 177.640 176.300 -0.122 0.000 1.072 72 R CA 0.992 57.055 56.100 -0.062 0.000 0.990 72 R CB -0.100 30.175 30.300 -0.041 0.000 0.889 72 R HN 0.613 nan 8.270 nan 0.000 0.452 73 N N -0.592 117.953 118.700 -0.258 0.000 2.445 73 N HA 0.048 4.788 4.740 -0.000 0.000 0.204 73 N C -0.079 175.262 175.510 -0.281 0.000 1.098 73 N CA 0.188 53.062 53.050 -0.294 0.000 0.859 73 N CB 0.744 38.962 38.487 -0.447 0.000 1.249 73 N HN -0.132 nan 8.380 nan 0.000 0.462 74 V N 4.026 123.727 119.914 -0.356 0.000 2.521 74 V HA 0.035 4.155 4.120 -0.000 0.000 0.286 74 V C 0.457 176.434 176.094 -0.195 0.000 1.034 74 V CA -0.454 61.658 62.300 -0.314 0.000 1.045 74 V CB 0.693 32.205 31.823 -0.518 0.000 0.974 74 V HN 0.154 nan 8.190 nan 0.000 0.480 75 Q N 4.454 124.172 119.800 -0.135 0.000 2.320 75 Q HA -0.060 4.280 4.340 -0.000 0.000 0.311 75 Q C 0.384 176.327 176.000 -0.096 0.000 1.083 75 Q CA 0.545 56.274 55.803 -0.122 0.000 1.001 75 Q CB -0.436 28.318 28.738 0.026 0.000 1.074 75 Q HN 0.802 nan 8.270 nan 0.000 0.379 76 Y N -0.113 120.108 120.300 -0.132 0.000 4.656 76 Y HA -0.355 4.195 4.550 -0.000 0.000 0.221 76 Y C 1.613 177.228 175.900 -0.474 0.000 1.045 76 Y CA 0.768 58.626 58.100 -0.404 0.000 1.926 76 Y CB -1.755 36.508 38.460 -0.327 0.000 1.618 76 Y HN 0.803 nan 8.280 nan 0.000 0.615 77 G N 0.665 109.338 108.800 -0.211 0.000 2.440 77 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.218 77 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.218 77 G C 1.366 176.194 174.900 -0.120 0.000 1.154 77 G CA 1.002 46.002 45.100 -0.166 0.000 0.767 77 G HN 0.816 nan 8.290 nan 0.000 0.552 78 W N 0.703 121.968 121.300 -0.058 0.000 2.325 78 W HA -0.084 4.576 4.660 -0.000 0.000 0.299 78 W C 1.757 178.284 176.519 0.014 0.000 1.215 78 W CA 0.896 58.224 57.345 -0.029 0.000 1.244 78 W CB -1.042 28.391 29.460 -0.045 0.000 1.140 78 W HN 0.204 nan 8.180 nan 0.000 0.523 79 L N 1.846 122.430 121.223 -1.066 0.000 2.007 79 L HA -0.074 4.266 4.340 -0.000 0.000 0.205 79 L C 2.668 179.321 176.870 -0.361 0.000 1.073 79 L CA 1.895 56.098 54.840 -1.062 0.000 0.744 79 L CB -1.214 40.058 42.059 -1.312 0.000 0.898 79 L HN -0.071 nan 8.230 nan 0.000 0.435 80 I N -0.506 119.894 120.570 -0.283 0.000 2.145 80 I HA -0.344 3.826 4.170 -0.000 0.000 0.244 80 I C 2.732 178.847 176.117 -0.002 0.000 1.075 80 I CA 1.298 62.533 61.300 -0.109 0.000 1.332 80 I CB -0.580 37.368 38.000 -0.086 0.000 1.033 80 I HN 0.368 nan 8.210 nan 0.000 0.410 81 R N 1.614 122.117 120.500 0.005 0.000 2.097 81 R HA -0.192 4.148 4.340 -0.000 0.000 0.236 81 R C 1.838 178.231 176.300 0.155 0.000 1.135 81 R CA 2.146 58.294 56.100 0.081 0.000 0.934 81 R CB -1.106 29.240 30.300 0.076 0.000 0.846 81 R HN 0.526 nan 8.270 nan 0.000 0.431 82 N N 0.366 119.158 118.700 0.153 0.000 2.002 82 N HA -0.229 4.511 4.740 -0.000 0.000 0.199 82 N C 2.081 177.727 175.510 0.225 0.000 1.060 82 N CA 1.919 55.089 53.050 0.201 0.000 0.867 82 N CB -0.432 38.175 38.487 0.200 0.000 1.069 82 N HN 0.126 nan 8.380 nan 0.000 0.430 83 L N 0.236 121.552 121.223 0.154 0.000 2.054 83 L HA -0.314 4.026 4.340 -0.000 0.000 0.220 83 L C 2.525 179.599 176.870 0.340 0.000 1.081 83 L CA 1.635 56.609 54.840 0.225 0.000 0.780 83 L CB -0.783 41.319 42.059 0.072 0.000 0.893 83 L HN 0.377 nan 8.230 nan 0.000 0.438 84 H N -0.561 118.608 119.070 0.165 0.000 2.276 84 H HA -0.112 4.444 4.556 -0.000 0.000 0.301 84 H C 2.139 177.581 175.328 0.190 0.000 1.073 84 H CA 1.749 57.890 56.048 0.154 0.000 1.311 84 H CB -0.063 29.761 29.762 0.103 0.000 1.379 84 H HN 0.306 nan 8.280 nan 0.000 0.494 85 A N 0.120 123.101 122.820 0.269 0.000 1.902 85 A HA -0.207 4.113 4.320 -0.000 0.000 0.217 85 A C 2.170 179.902 177.584 0.247 0.000 1.181 85 A CA 1.977 54.153 52.037 0.232 0.000 0.623 85 A CB -0.654 18.499 19.000 0.255 0.000 0.818 85 A HN 0.667 nan 8.150 nan 0.000 0.443 86 N N -0.423 118.462 118.700 0.309 0.000 2.331 86 N HA 0.011 4.751 4.740 -0.000 0.000 0.180 86 N C 1.752 177.370 175.510 0.180 0.000 1.019 86 N CA 0.822 54.092 53.050 0.366 0.000 0.881 86 N CB -0.247 38.573 38.487 0.556 0.000 0.972 86 N HN 0.470 nan 8.380 nan 0.000 0.435 87 G N 0.610 109.493 108.800 0.138 0.000 2.432 87 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.219 87 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.219 87 G C 1.574 176.483 174.900 0.014 0.000 1.135 87 G CA 0.844 45.895 45.100 -0.082 0.000 0.767 87 G HN 0.371 nan 8.290 nan 0.000 0.550 88 A N 0.779 123.617 122.820 0.030 0.000 1.908 88 A HA -0.028 4.292 4.320 -0.000 0.000 0.218 88 A C 2.718 180.361 177.584 0.098 0.000 1.181 88 A CA 2.337 54.379 52.037 0.008 0.000 0.627 88 A CB -0.685 18.334 19.000 0.033 0.000 0.818 88 A HN 0.320 nan 8.150 nan 0.000 0.445 89 S N -1.318 114.530 115.700 0.246 0.000 2.348 89 S HA -0.115 4.355 4.470 -0.000 0.000 0.221 89 S C 1.667 176.507 174.600 0.400 0.000 1.033 89 S CA 1.376 59.860 58.200 0.474 0.000 1.010 89 S CB -0.560 63.065 63.200 0.708 0.000 0.891 89 S HN 0.599 nan 8.310 nan 0.000 0.442 90 F N 1.672 121.608 119.950 -0.024 0.000 2.087 90 F HA -0.224 4.303 4.527 -0.000 0.000 0.299 90 F C 1.889 177.648 175.800 -0.067 0.000 1.100 90 F CA 1.374 59.273 58.000 -0.169 0.000 1.226 90 F CB -0.565 38.028 39.000 -0.678 0.000 0.983 90 F HN 0.174 nan 8.300 nan 0.000 0.479 91 F N -0.014 119.859 119.950 -0.128 0.000 2.043 91 F HA -0.263 4.264 4.527 -0.000 0.000 0.297 91 F C 2.201 177.687 175.800 -0.524 0.000 1.121 91 F CA 1.977 59.768 58.000 -0.349 0.000 1.199 91 F CB -1.203 37.545 39.000 -0.421 0.000 0.968 91 F HN -0.001 nan 8.300 nan 0.000 0.478 92 F N -0.105 119.708 119.950 -0.229 0.000 2.102 92 F HA -0.211 4.316 4.527 -0.000 0.000 0.298 92 F C 2.433 178.003 175.800 -0.383 0.000 1.105 92 F CA 1.506 59.141 58.000 -0.610 0.000 1.239 92 F CB -0.709 37.753 39.000 -0.897 0.000 0.991 92 F HN -0.082 nan 8.300 nan 0.000 0.474 93 I N -0.931 119.827 120.570 0.314 0.000 2.091 93 I HA -0.417 3.753 4.170 -0.000 0.000 0.239 93 I C 2.548 178.604 176.117 -0.103 0.000 1.061 93 I CA 1.405 62.882 61.300 0.295 0.000 1.317 93 I CB -0.694 37.392 38.000 0.143 0.000 1.031 93 I HN 0.240 nan 8.210 nan 0.000 0.401 94 C N 0.450 119.542 119.300 -0.346 0.000 2.398 94 C HA -0.231 4.229 4.460 -0.000 0.000 0.276 94 C C 2.774 177.555 174.990 -0.347 0.000 1.222 94 C CA 0.957 59.703 59.018 -0.452 0.000 1.746 94 C CB -0.814 26.599 27.740 -0.544 0.000 2.039 94 C HN 0.489 nan 8.230 nan 0.000 0.470 95 I N -0.313 120.044 120.570 -0.354 0.000 2.454 95 I HA -0.184 3.986 4.170 -0.000 0.000 0.254 95 I C 1.869 177.866 176.117 -0.199 0.000 1.156 95 I CA 1.563 62.672 61.300 -0.319 0.000 1.433 95 I CB -0.149 37.566 38.000 -0.476 0.000 1.082 95 I HN 0.228 nan 8.210 nan 0.000 0.432 96 F N 0.326 120.262 119.950 -0.025 0.000 2.234 96 F HA -0.081 4.446 4.527 -0.000 0.000 0.296 96 F C 2.125 177.889 175.800 -0.060 0.000 1.089 96 F CA 0.995 58.989 58.000 -0.009 0.000 1.343 96 F CB -0.820 38.220 39.000 0.067 0.000 1.040 96 F HN -0.028 nan 8.300 nan 0.000 0.498 97 L N -1.115 120.102 121.223 -0.010 0.000 2.072 97 L HA -0.203 4.137 4.340 -0.000 0.000 0.205 97 L C 2.485 179.345 176.870 -0.016 0.000 1.079 97 L CA 1.405 56.165 54.840 -0.134 0.000 0.752 97 L CB -0.905 40.729 42.059 -0.709 0.000 0.906 97 L HN 0.127 nan 8.230 nan 0.000 0.436 98 H N 0.583 119.575 119.070 -0.131 0.000 2.319 98 H HA -0.199 4.357 4.556 -0.000 0.000 0.297 98 H C 2.176 177.526 175.328 0.037 0.000 1.097 98 H CA 2.064 58.132 56.048 0.033 0.000 1.285 98 H CB -0.031 29.729 29.762 -0.004 0.000 1.368 98 H HN 0.178 nan 8.280 nan 0.000 0.495 99 I N -0.475 120.141 120.570 0.076 0.000 2.163 99 I HA -0.199 3.971 4.170 -0.000 0.000 0.240 99 I C 2.792 178.977 176.117 0.113 0.000 1.081 99 I CA 1.161 62.496 61.300 0.057 0.000 1.353 99 I CB -0.806 37.240 38.000 0.076 0.000 1.054 99 I HN 0.478 nan 8.210 nan 0.000 0.407 100 G N 1.160 110.016 108.800 0.094 0.000 2.529 100 G HA2 -0.345 3.615 3.960 -0.000 0.000 0.219 100 G HA3 -0.345 3.615 3.960 -0.000 0.000 0.219 100 G C 1.789 176.738 174.900 0.081 0.000 1.177 100 G CA 0.879 46.043 45.100 0.106 0.000 0.773 100 G HN 0.200 nan 8.290 nan 0.000 0.573 101 R N 1.331 121.816 120.500 -0.026 0.000 2.112 101 R HA -0.117 4.223 4.340 -0.000 0.000 0.242 101 R C 2.709 179.007 176.300 -0.004 0.000 1.137 101 R CA 2.391 58.450 56.100 -0.069 0.000 0.944 101 R CB -1.467 28.765 30.300 -0.113 0.000 0.857 101 R HN 0.311 nan 8.270 nan 0.000 0.435 102 G N 1.407 110.195 108.800 -0.021 0.000 2.442 102 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.219 102 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.219 102 G C 1.525 176.523 174.900 0.164 0.000 1.141 102 G CA 0.832 45.983 45.100 0.085 0.000 0.763 102 G HN 0.369 nan 8.290 nan 0.000 0.554 103 L N -0.728 120.645 121.223 0.250 0.000 2.005 103 L HA 0.057 4.397 4.340 -0.000 0.000 0.207 103 L C 2.490 179.415 176.870 0.092 0.000 1.072 103 L CA 1.718 56.697 54.840 0.232 0.000 0.744 103 L CB -0.942 41.263 42.059 0.244 0.000 0.895 103 L HN 0.310 nan 8.230 nan 0.000 0.433 104 Y N -0.557 119.624 120.300 -0.198 0.000 2.097 104 Y HA -0.295 4.255 4.550 -0.000 0.000 0.282 104 Y C 1.468 177.045 175.900 -0.538 0.000 1.152 104 Y CA 2.014 59.724 58.100 -0.650 0.000 1.136 104 Y CB -0.365 37.396 38.460 -1.166 0.000 0.975 104 Y HN 0.301 nan 8.280 nan 0.000 0.498 105 Y N 0.218 120.415 120.300 -0.172 0.000 2.596 105 Y HA 0.292 4.842 4.550 -0.000 0.000 0.316 105 Y C 1.599 177.291 175.900 -0.346 0.000 1.156 105 Y CA -0.010 57.973 58.100 -0.195 0.000 1.300 105 Y CB -0.115 38.379 38.460 0.057 0.000 1.130 105 Y HN 0.254 nan 8.280 nan 0.000 0.518 106 G N -0.275 108.282 108.800 -0.405 0.000 2.296 106 G HA2 -0.384 3.576 3.960 -0.000 0.000 0.282 106 G HA3 -0.384 3.576 3.960 -0.000 0.000 0.282 106 G C 1.254 175.460 174.900 -1.156 0.000 1.014 106 G CA 0.842 45.316 45.100 -1.043 0.000 0.812 106 G HN 0.450 nan 8.290 nan 0.000 0.508 107 S N -0.580 114.711 115.700 -0.681 0.000 2.419 107 S HA -0.143 4.327 4.470 -0.000 0.000 0.233 107 S C 1.907 176.188 174.600 -0.532 0.000 1.016 107 S CA 1.740 59.626 58.200 -0.524 0.000 0.974 107 S CB -0.390 62.693 63.200 -0.195 0.000 0.786 107 S HN 1.003 nan 8.310 nan 0.000 0.492 108 Y N 0.786 120.768 120.300 -0.530 0.000 2.651 108 Y HA 0.151 4.701 4.550 -0.000 0.000 0.296 108 Y C 1.450 176.970 175.900 -0.634 0.000 1.150 108 Y CA 0.005 57.546 58.100 -0.931 0.000 1.348 108 Y CB -1.004 36.180 38.460 -2.126 0.000 0.983 108 Y HN 0.142 nan 8.280 nan 0.000 0.555 109 L N -0.585 120.187 121.223 -0.752 0.000 2.456 109 L HA -0.126 4.214 4.340 -0.000 0.000 0.224 109 L C 0.385 177.169 176.870 -0.144 0.000 1.148 109 L CA 0.563 55.125 54.840 -0.463 0.000 0.825 109 L CB -0.425 41.260 42.059 -0.624 0.000 0.937 109 L HN 0.260 nan 8.230 nan 0.000 0.450 110 Y N 0.890 121.097 120.300 -0.156 0.000 2.830 110 Y HA 0.077 4.627 4.550 -0.000 0.000 0.371 110 Y C 1.504 177.410 175.900 0.010 0.000 1.246 110 Y CA -1.002 57.071 58.100 -0.045 0.000 1.890 110 Y CB -0.908 37.551 38.460 -0.002 0.000 1.995 110 Y HN 0.054 nan 8.280 nan 0.000 0.430 111 K N 0.319 120.789 120.400 0.115 0.000 2.090 111 K HA -0.336 3.984 4.320 -0.000 0.000 0.218 111 K C 1.431 178.077 176.600 0.077 0.000 1.055 111 K CA 2.604 58.938 56.287 0.078 0.000 0.941 111 K CB 0.136 32.646 32.500 0.017 0.000 0.722 111 K HN 0.488 nan 8.250 nan 0.000 0.458 112 E N -0.431 119.709 120.200 -0.101 0.000 2.046 112 E HA -0.094 4.256 4.350 -0.000 0.000 0.190 112 E C 2.086 178.499 176.600 -0.312 0.000 0.982 112 E CA 1.569 57.690 56.400 -0.465 0.000 0.800 112 E CB -0.192 28.789 29.700 -1.198 0.000 0.756 112 E HN 0.242 nan 8.360 nan 0.000 0.449 113 T N 0.915 115.421 114.554 -0.079 0.000 2.699 113 T HA -0.221 4.129 4.350 -0.000 0.000 0.268 113 T C 1.236 176.079 174.700 0.239 0.000 1.036 113 T CA 1.321 63.450 62.100 0.049 0.000 1.147 113 T CB -0.350 68.543 68.868 0.042 0.000 0.862 113 T HN 0.396 nan 8.240 nan 0.000 0.446 114 W N 2.546 123.894 121.300 0.081 0.000 2.380 114 W HA -0.151 4.508 4.660 -0.000 0.000 0.317 114 W C 1.903 178.490 176.519 0.113 0.000 1.196 114 W CA 1.042 58.458 57.345 0.118 0.000 1.307 114 W CB -0.603 28.907 29.460 0.082 0.000 1.157 114 W HN 0.202 nan 8.180 nan 0.000 0.483 115 N N 0.311 119.179 118.700 0.281 0.000 2.137 115 N HA -0.204 4.536 4.740 -0.000 0.000 0.190 115 N C 1.770 177.368 175.510 0.147 0.000 1.017 115 N CA 2.983 56.193 53.050 0.266 0.000 0.859 115 N CB -1.025 37.648 38.487 0.309 0.000 1.002 115 N HN 0.345 nan 8.380 nan 0.000 0.428 116 T N -2.119 112.500 114.554 0.109 0.000 2.821 116 T HA -0.042 4.308 4.350 -0.000 0.000 0.267 116 T C 2.102 176.798 174.700 -0.007 0.000 1.046 116 T CA 1.347 63.524 62.100 0.129 0.000 1.139 116 T CB -0.840 68.193 68.868 0.276 0.000 0.871 116 T HN 0.191 nan 8.240 nan 0.000 0.454 117 G N 1.447 110.218 108.800 -0.049 0.000 2.446 117 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.217 117 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.217 117 G C 1.664 176.338 174.900 -0.376 0.000 1.168 117 G CA 1.088 45.992 45.100 -0.326 0.000 0.771 117 G HN 0.485 nan 8.290 nan 0.000 0.551 118 V N 1.428 121.048 119.914 -0.490 0.000 2.282 118 V HA -0.234 3.886 4.120 -0.000 0.000 0.249 118 V C 2.800 178.709 176.094 -0.308 0.000 1.057 118 V CA 1.800 63.759 62.300 -0.568 0.000 1.032 118 V CB -0.516 30.722 31.823 -0.975 0.000 0.645 118 V HN 0.409 nan 8.190 nan 0.000 0.447 119 I N -0.661 119.841 120.570 -0.112 0.000 2.208 119 I HA -0.275 3.895 4.170 -0.000 0.000 0.245 119 I C 2.413 178.483 176.117 -0.079 0.000 1.097 119 I CA 1.572 62.871 61.300 -0.001 0.000 1.363 119 I CB -0.349 37.702 38.000 0.085 0.000 1.051 119 I HN 0.283 nan 8.210 nan 0.000 0.413 120 L N -0.043 121.093 121.223 -0.145 0.000 1.989 120 L HA -0.261 4.079 4.340 -0.000 0.000 0.211 120 L C 2.622 179.370 176.870 -0.202 0.000 1.071 120 L CA 1.217 55.948 54.840 -0.181 0.000 0.749 120 L CB -0.556 41.342 42.059 -0.268 0.000 0.890 120 L HN 0.271 nan 8.230 nan 0.000 0.431 121 L N -0.094 120.992 121.223 -0.227 0.000 1.990 121 L HA -0.272 4.068 4.340 -0.000 0.000 0.213 121 L C 2.385 179.179 176.870 -0.126 0.000 1.072 121 L CA 1.863 56.577 54.840 -0.210 0.000 0.755 121 L CB -0.557 41.391 42.059 -0.186 0.000 0.889 121 L HN 0.106 nan 8.230 nan 0.000 0.432 122 L N -1.127 120.044 121.223 -0.087 0.000 1.990 122 L HA -0.284 4.056 4.340 -0.000 0.000 0.213 122 L C 2.418 179.276 176.870 -0.020 0.000 1.072 122 L CA 2.120 56.949 54.840 -0.019 0.000 0.755 122 L CB -1.264 40.794 42.059 -0.002 0.000 0.889 122 L HN 0.355 nan 8.230 nan 0.000 0.432 123 T N 0.239 114.760 114.554 -0.054 0.000 2.720 123 T HA -0.214 4.136 4.350 -0.000 0.000 0.268 123 T C 1.818 176.456 174.700 -0.103 0.000 1.037 123 T CA 1.538 63.604 62.100 -0.058 0.000 1.144 123 T CB -0.328 68.500 68.868 -0.067 0.000 0.864 123 T HN 0.153 nan 8.240 nan 0.000 0.444 124 L N 0.910 122.006 121.223 -0.211 0.000 2.042 124 L HA -0.048 4.292 4.340 -0.000 0.000 0.210 124 L C 2.286 179.061 176.870 -0.159 0.000 1.076 124 L CA 1.779 56.389 54.840 -0.382 0.000 0.749 124 L CB -0.661 40.970 42.059 -0.713 0.000 0.893 124 L HN 0.278 nan 8.230 nan 0.000 0.432 125 M N -0.906 118.720 119.600 0.043 0.000 2.080 125 M HA -0.211 4.269 4.480 -0.000 0.000 0.260 125 M C 2.342 178.855 176.300 0.355 0.000 1.068 125 M CA 1.936 57.469 55.300 0.388 0.000 1.109 125 M CB -0.760 32.080 32.600 0.399 0.000 1.342 125 M HN 0.451 nan 8.290 nan 0.000 0.405 126 A N 0.191 123.114 122.820 0.172 0.000 1.883 126 A HA -0.177 4.143 4.320 -0.000 0.000 0.217 126 A C 2.216 179.936 177.584 0.225 0.000 1.186 126 A CA 2.413 54.551 52.037 0.168 0.000 0.624 126 A CB -1.304 17.745 19.000 0.082 0.000 0.822 126 A HN 0.495 nan 8.150 nan 0.000 0.444 127 T N 0.456 115.093 114.554 0.138 0.000 2.635 127 T HA -0.133 4.216 4.350 -0.000 0.000 0.267 127 T C 2.200 177.082 174.700 0.304 0.000 1.040 127 T CA 2.049 64.243 62.100 0.157 0.000 1.156 127 T CB -0.576 68.264 68.868 -0.046 0.000 0.863 127 T HN 0.644 nan 8.240 nan 0.000 0.430 128 A N 0.737 123.716 122.820 0.266 0.000 1.969 128 A HA 0.009 4.329 4.320 -0.000 0.000 0.218 128 A C 1.993 179.836 177.584 0.432 0.000 1.169 128 A CA 1.173 53.406 52.037 0.326 0.000 0.635 128 A CB -0.894 18.291 19.000 0.308 0.000 0.810 128 A HN 0.450 nan 8.150 nan 0.000 0.445 129 F N 1.425 121.564 119.950 0.314 0.000 2.046 129 F HA -0.219 4.308 4.527 -0.000 0.000 0.297 129 F C 2.408 178.306 175.800 0.164 0.000 1.123 129 F CA 2.333 60.467 58.000 0.223 0.000 1.199 129 F CB -0.650 38.390 39.000 0.066 0.000 0.972 129 F HN 0.134 nan 8.300 nan 0.000 0.474 130 V N -0.735 119.147 119.914 -0.053 0.000 2.427 130 V HA -0.037 4.083 4.120 -0.000 0.000 0.248 130 V C 2.519 178.541 176.094 -0.119 0.000 1.051 130 V CA 1.802 63.962 62.300 -0.233 0.000 1.048 130 V CB -2.091 29.585 31.823 -0.244 0.000 0.666 130 V HN 0.408 nan 8.190 nan 0.000 0.456 131 G N -1.097 107.535 108.800 -0.281 0.000 2.440 131 G HA2 -0.345 3.615 3.960 -0.000 0.000 0.218 131 G HA3 -0.345 3.615 3.960 -0.000 0.000 0.218 131 G C 1.525 176.322 174.900 -0.172 0.000 1.154 131 G CA 1.239 45.885 45.100 -0.758 0.000 0.767 131 G HN 0.607 nan 8.290 nan 0.000 0.552 132 Y N 1.010 121.253 120.300 -0.095 0.000 2.333 132 Y HA -0.069 4.480 4.550 -0.000 0.000 0.290 132 Y C 2.771 178.668 175.900 -0.006 0.000 1.144 132 Y CA 0.966 59.057 58.100 -0.015 0.000 1.228 132 Y CB 0.006 38.488 38.460 0.037 0.000 0.985 132 Y HN 0.064 nan 8.280 nan 0.000 0.542 133 V N -0.130 119.798 119.914 0.024 0.000 2.667 133 V HA -0.274 3.846 4.120 -0.000 0.000 0.252 133 V C 2.325 178.535 176.094 0.193 0.000 1.065 133 V CA 1.353 63.701 62.300 0.081 0.000 1.083 133 V CB -0.627 31.341 31.823 0.240 0.000 0.692 133 V HN 0.389 nan 8.190 nan 0.000 0.468 134 L N 1.061 122.350 121.223 0.109 0.000 2.051 134 L HA -0.148 4.192 4.340 -0.000 0.000 0.214 134 L C 0.184 177.161 176.870 0.180 0.000 1.076 134 L CA 1.893 56.800 54.840 0.110 0.000 0.758 134 L CB -2.081 39.862 42.059 -0.193 0.000 0.890 134 L HN 0.395 nan 8.230 nan 0.000 0.433 135 P HA -0.245 nan 4.420 nan 0.000 0.234 135 P C 0.368 177.824 177.300 0.259 0.000 1.167 135 P CA 0.533 63.673 63.100 0.067 0.000 0.763 135 P CB -0.188 31.441 31.700 -0.118 0.000 0.835 136 W N 0.639 121.957 121.300 0.030 0.000 6.486 136 W HA -0.151 4.509 4.660 -0.000 0.000 0.411 136 W C -0.192 176.420 176.519 0.154 0.000 1.595 136 W CA 0.453 57.847 57.345 0.083 0.000 1.075 136 W CB -1.355 28.164 29.460 0.098 0.000 2.798 136 W HN -0.008 nan 8.180 nan 0.000 1.534 137 G N 0.670 109.507 108.800 0.061 0.000 2.557 137 G HA2 0.223 4.183 3.960 -0.000 0.000 0.302 137 G HA3 0.223 4.183 3.960 -0.000 0.000 0.302 137 G C 0.527 175.414 174.900 -0.023 0.000 1.311 137 G CA -0.086 45.075 45.100 0.103 0.000 1.030 137 G HN 0.181 nan 8.290 nan 0.000 0.509 138 Q N -1.095 118.748 119.800 0.071 0.000 2.061 138 Q HA -0.151 4.189 4.340 -0.000 0.000 0.204 138 Q C 2.517 178.701 176.000 0.306 0.000 0.984 138 Q CA 1.454 57.371 55.803 0.191 0.000 0.846 138 Q CB -0.318 28.532 28.738 0.188 0.000 0.902 138 Q HN 0.501 nan 8.270 nan 0.000 0.421 139 M N 0.231 119.961 119.600 0.218 0.000 2.132 139 M HA -0.082 4.398 4.480 -0.000 0.000 0.263 139 M C 2.081 178.508 176.300 0.211 0.000 1.065 139 M CA 1.321 56.786 55.300 0.276 0.000 1.122 139 M CB -0.417 32.387 32.600 0.340 0.000 1.365 139 M HN 0.012 nan 8.290 nan 0.000 0.411 140 S N 0.018 115.693 115.700 -0.041 0.000 2.359 140 S HA -0.196 4.273 4.470 -0.000 0.000 0.223 140 S C 1.760 176.251 174.600 -0.182 0.000 1.039 140 S CA 1.795 59.883 58.200 -0.187 0.000 1.042 140 S CB -0.874 62.164 63.200 -0.271 0.000 0.915 140 S HN 0.591 nan 8.310 nan 0.000 0.439 141 F N 0.884 120.535 119.950 -0.499 0.000 2.051 141 F HA -0.090 4.437 4.527 -0.000 0.000 0.296 141 F C 1.878 177.327 175.800 -0.586 0.000 1.122 141 F CA 1.334 58.855 58.000 -0.798 0.000 1.201 141 F CB -0.559 37.791 39.000 -1.085 0.000 0.978 141 F HN 0.200 nan 8.300 nan 0.000 0.472 142 W N 0.504 121.745 121.300 -0.098 0.000 2.425 142 W HA 0.045 4.705 4.660 -0.000 0.000 0.277 142 W C 2.632 179.085 176.519 -0.110 0.000 1.231 142 W CA 1.209 58.482 57.345 -0.120 0.000 1.248 142 W CB -1.236 28.247 29.460 0.039 0.000 1.117 142 W HN 0.149 nan 8.180 nan 0.000 0.568 143 G N 0.374 109.243 108.800 0.115 0.000 2.421 143 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.216 143 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.216 143 G C 1.714 176.670 174.900 0.093 0.000 1.171 143 G CA 1.503 46.675 45.100 0.120 0.000 0.775 143 G HN 0.283 nan 8.290 nan 0.000 0.543 144 A N 0.344 123.128 122.820 -0.060 0.000 1.892 144 A HA -0.082 4.238 4.320 -0.000 0.000 0.218 144 A C 2.531 180.084 177.584 -0.053 0.000 1.188 144 A CA 2.660 54.658 52.037 -0.066 0.000 0.631 144 A CB -1.159 17.672 19.000 -0.282 0.000 0.822 144 A HN 0.321 nan 8.150 nan 0.000 0.447 145 T N -0.176 114.173 114.554 -0.340 0.000 2.595 145 T HA -0.158 4.192 4.350 -0.000 0.000 0.264 145 T C 1.918 176.621 174.700 0.005 0.000 1.058 145 T CA 1.884 63.814 62.100 -0.283 0.000 1.166 145 T CB -0.764 67.777 68.868 -0.545 0.000 0.863 145 T HN 0.164 nan 8.240 nan 0.000 0.415 146 V N 2.069 122.018 119.914 0.058 0.000 2.222 146 V HA -0.233 3.887 4.120 -0.000 0.000 0.252 146 V C 2.547 178.660 176.094 0.033 0.000 1.060 146 V CA 1.708 64.066 62.300 0.095 0.000 1.027 146 V CB -0.773 31.123 31.823 0.122 0.000 0.644 146 V HN 0.402 nan 8.190 nan 0.000 0.448 147 I N 1.092 121.673 120.570 0.018 0.000 2.113 147 I HA -0.225 3.945 4.170 -0.000 0.000 0.238 147 I C 2.906 178.846 176.117 -0.294 0.000 1.070 147 I CA 2.584 63.816 61.300 -0.112 0.000 1.332 147 I CB -2.032 35.907 38.000 -0.103 0.000 1.044 147 I HN 0.613 nan 8.210 nan 0.000 0.402 148 T N -0.865 113.606 114.554 -0.138 0.000 2.803 148 T HA -0.193 4.157 4.350 -0.000 0.000 0.269 148 T C 1.718 176.122 174.700 -0.495 0.000 1.052 148 T CA 1.437 63.288 62.100 -0.416 0.000 1.136 148 T CB -0.613 68.350 68.868 0.159 0.000 0.864 148 T HN 0.196 nan 8.240 nan 0.000 0.467 149 N N 0.961 119.601 118.700 -0.100 0.000 2.519 149 N HA 0.066 4.806 4.740 -0.000 0.000 0.186 149 N C 1.693 177.122 175.510 -0.135 0.000 1.062 149 N CA 0.500 53.545 53.050 -0.009 0.000 0.910 149 N CB -0.332 38.243 38.487 0.146 0.000 0.958 149 N HN 0.508 nan 8.380 nan 0.000 0.445 150 L N -0.736 120.333 121.223 -0.257 0.000 2.093 150 L HA -0.084 4.256 4.340 -0.000 0.000 0.208 150 L C 1.870 178.718 176.870 -0.038 0.000 1.085 150 L CA 0.778 55.530 54.840 -0.147 0.000 0.755 150 L CB -0.582 41.397 42.059 -0.134 0.000 0.904 150 L HN 0.134 nan 8.230 nan 0.000 0.435 151 F N 0.611 120.507 119.950 -0.090 0.000 2.154 151 F HA -0.272 4.255 4.527 -0.000 0.000 0.301 151 F C 2.821 178.528 175.800 -0.156 0.000 1.087 151 F CA 0.855 58.787 58.000 -0.112 0.000 1.274 151 F CB -0.612 38.318 39.000 -0.116 0.000 1.009 151 F HN 0.239 nan 8.300 nan 0.000 0.485 152 S N 0.417 116.083 115.700 -0.056 0.000 2.528 152 S HA -0.108 4.362 4.470 -0.000 0.000 0.244 152 S C 1.656 176.113 174.600 -0.237 0.000 0.982 152 S CA 0.654 58.690 58.200 -0.273 0.000 0.953 152 S CB -0.511 62.425 63.200 -0.440 0.000 0.754 152 S HN 0.335 nan 8.310 nan 0.000 0.529 153 A N 0.564 123.328 122.820 -0.093 0.000 2.238 153 A HA 0.459 4.779 4.320 -0.000 0.000 0.210 153 A C 0.816 178.365 177.584 -0.059 0.000 1.179 153 A CA -0.308 51.689 52.037 -0.066 0.000 0.827 153 A CB -0.285 18.696 19.000 -0.031 0.000 0.856 153 A HN 0.559 nan 8.150 nan 0.000 0.488 154 I N 1.077 121.619 120.570 -0.046 0.000 2.779 154 I HA 0.149 4.319 4.170 -0.000 0.000 0.285 154 I C -2.297 173.748 176.117 -0.121 0.000 1.134 154 I CA -1.883 59.375 61.300 -0.070 0.000 1.398 154 I CB 1.048 39.017 38.000 -0.051 0.000 1.404 154 I HN 0.046 nan 8.210 nan 0.000 0.587 155 P HA 0.203 nan 4.420 nan 0.000 0.280 155 P C -0.552 176.548 177.300 -0.333 0.000 1.244 155 P CA 0.152 62.995 63.100 -0.428 0.000 0.784 155 P CB 0.394 31.648 31.700 -0.743 0.000 0.913 156 Y N 1.005 121.320 120.300 0.025 0.000 2.720 156 Y HA -0.377 4.173 4.550 -0.000 0.000 0.481 156 Y C 1.716 177.632 175.900 0.026 0.000 1.080 156 Y CA 0.926 59.043 58.100 0.028 0.000 2.975 156 Y CB -1.862 36.604 38.460 0.011 0.000 1.020 156 Y HN 0.336 nan 8.280 nan 0.000 0.585 157 I N 0.565 121.237 120.570 0.170 0.000 3.528 157 I HA 0.169 4.339 4.170 -0.000 0.000 0.298 157 I C 1.725 177.864 176.117 0.037 0.000 1.281 157 I CA 0.972 62.314 61.300 0.070 0.000 1.269 157 I CB -0.765 37.246 38.000 0.019 0.000 1.013 157 I HN 0.396 nan 8.210 nan 0.000 0.512 158 G N 1.097 109.925 108.800 0.046 0.000 2.662 158 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.215 158 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.215 158 G C 1.322 176.240 174.900 0.031 0.000 1.310 158 G CA 0.355 45.458 45.100 0.005 0.000 0.849 158 G HN 0.451 nan 8.290 nan 0.000 0.568 159 H N 0.634 119.741 119.070 0.062 0.000 2.538 159 H HA -0.075 4.481 4.556 -0.000 0.000 0.294 159 H C 2.506 177.878 175.328 0.074 0.000 1.083 159 H CA 1.658 57.746 56.048 0.066 0.000 1.233 159 H CB -0.017 29.797 29.762 0.086 0.000 1.360 159 H HN 0.286 nan 8.280 nan 0.000 0.571 160 T N 0.096 114.754 114.554 0.173 0.000 3.004 160 T HA -0.041 4.309 4.350 -0.000 0.000 0.243 160 T C 2.113 176.894 174.700 0.135 0.000 1.020 160 T CA 0.279 62.465 62.100 0.143 0.000 1.145 160 T CB -0.243 68.677 68.868 0.085 0.000 0.876 160 T HN 0.134 nan 8.240 nan 0.000 0.449 161 L N 2.028 123.302 121.223 0.084 0.000 2.189 161 L HA -0.049 4.291 4.340 -0.000 0.000 0.214 161 L C 2.053 179.039 176.870 0.194 0.000 1.097 161 L CA 1.436 56.348 54.840 0.121 0.000 0.764 161 L CB -0.664 41.403 42.059 0.015 0.000 0.900 161 L HN 0.069 nan 8.230 nan 0.000 0.436 162 V N -0.508 119.437 119.914 0.051 0.000 2.331 162 V HA -0.144 3.976 4.120 -0.000 0.000 0.242 162 V C 2.134 178.026 176.094 -0.338 0.000 1.034 162 V CA 1.613 63.755 62.300 -0.263 0.000 1.027 162 V CB -0.594 30.915 31.823 -0.523 0.000 0.667 162 V HN 0.422 nan 8.190 nan 0.000 0.457 163 E N -1.216 118.967 120.200 -0.029 0.000 2.533 163 E HA -0.207 4.143 4.350 -0.000 0.000 0.201 163 E C 1.576 178.319 176.600 0.238 0.000 1.097 163 E CA 0.699 57.224 56.400 0.208 0.000 0.887 163 E CB -0.069 29.837 29.700 0.344 0.000 0.855 163 E HN 0.778 nan 8.360 nan 0.000 0.540 164 W N 0.363 121.674 121.300 0.019 0.000 2.728 164 W HA 0.264 4.924 4.660 -0.000 0.000 0.270 164 W C 2.229 178.793 176.519 0.075 0.000 1.150 164 W CA 0.857 58.229 57.345 0.045 0.000 1.518 164 W CB -0.402 29.077 29.460 0.032 0.000 1.069 164 W HN -0.032 nan 8.180 nan 0.000 0.590 165 A N 0.041 122.880 122.820 0.031 0.000 1.902 165 A HA -0.179 4.141 4.320 -0.000 0.000 0.217 165 A C 1.722 179.354 177.584 0.080 0.000 1.181 165 A CA 1.685 53.708 52.037 -0.022 0.000 0.623 165 A CB -1.491 17.599 19.000 0.152 0.000 0.818 165 A HN 0.470 nan 8.150 nan 0.000 0.443 166 W N -1.131 120.181 121.300 0.020 0.000 2.467 166 W HA 0.216 4.876 4.660 -0.000 0.000 0.275 166 W C 1.792 178.239 176.519 -0.119 0.000 1.239 166 W CA 0.888 58.198 57.345 -0.058 0.000 1.266 166 W CB -1.216 28.227 29.460 -0.027 0.000 1.112 166 W HN 0.652 nan 8.180 nan 0.000 0.576 167 G N 0.202 109.056 108.800 0.090 0.000 2.160 167 G HA2 -0.036 3.924 3.960 -0.000 0.000 0.251 167 G HA3 -0.036 3.924 3.960 -0.000 0.000 0.251 167 G C 0.484 175.340 174.900 -0.075 0.000 1.008 167 G CA 0.611 45.687 45.100 -0.040 0.000 0.724 167 G HN 0.688 nan 8.290 nan 0.000 0.514 168 G N -1.852 106.923 108.800 -0.042 0.000 2.562 168 G HA2 0.564 4.524 3.960 -0.000 0.000 0.190 168 G HA3 0.564 4.524 3.960 -0.000 0.000 0.190 168 G C 0.193 174.942 174.900 -0.252 0.000 1.196 168 G CA 0.194 45.085 45.100 -0.348 0.000 0.986 168 G HN 0.369 nan 8.290 nan 0.000 0.512 169 F N 1.208 121.280 119.950 0.203 0.000 2.694 169 F HA 0.424 4.951 4.527 -0.000 0.000 0.292 169 F C 1.387 177.185 175.800 -0.002 0.000 1.121 169 F CA 0.469 58.611 58.000 0.238 0.000 1.352 169 F CB 1.135 40.211 39.000 0.127 0.000 1.107 169 F HN 0.505 nan 8.300 nan 0.000 0.597 170 S N -0.978 114.582 115.700 -0.233 0.000 2.671 170 S HA 0.532 5.002 4.470 -0.000 0.000 0.277 170 S C -0.882 173.146 174.600 -0.954 0.000 1.165 170 S CA -0.896 56.776 58.200 -0.880 0.000 0.822 170 S CB 1.496 64.470 63.200 -0.376 0.000 1.150 170 S HN -0.223 nan 8.310 nan 0.000 0.479 171 V N 2.488 121.732 119.914 -1.117 0.000 2.425 171 V HA 0.326 4.446 4.120 -0.000 0.000 0.276 171 V C 0.080 176.123 176.094 -0.086 0.000 1.017 171 V CA 0.779 62.666 62.300 -0.689 0.000 1.062 171 V CB -0.180 31.139 31.823 -0.839 0.000 0.997 171 V HN 0.883 nan 8.190 nan 0.000 0.476 172 D N 3.147 123.531 120.400 -0.026 0.000 2.798 172 D HA 0.192 4.832 4.640 -0.000 0.000 0.308 172 D C 0.976 177.227 176.300 -0.081 0.000 1.187 172 D CA -0.742 53.299 54.000 0.067 0.000 1.033 172 D CB 1.572 42.361 40.800 -0.018 0.000 1.445 172 D HN 0.262 nan 8.370 nan 0.000 0.550 173 N N 0.424 119.017 118.700 -0.178 0.000 2.069 173 N HA -0.132 4.608 4.740 -0.000 0.000 0.196 173 N C -1.203 174.183 175.510 -0.206 0.000 1.024 173 N CA 2.601 55.478 53.050 -0.288 0.000 0.869 173 N CB -0.585 37.763 38.487 -0.231 0.000 1.035 173 N HN 0.280 nan 8.380 nan 0.000 0.434 174 P HA -0.163 nan 4.420 nan 0.000 0.216 174 P C 0.895 178.139 177.300 -0.094 0.000 1.154 174 P CA 1.829 64.870 63.100 -0.099 0.000 0.865 174 P CB -0.278 31.371 31.700 -0.085 0.000 0.789 175 T N 0.520 114.997 114.554 -0.129 0.000 2.737 175 T HA -0.115 4.234 4.350 -0.000 0.000 0.265 175 T C 1.909 176.442 174.700 -0.280 0.000 1.038 175 T CA 0.896 62.865 62.100 -0.219 0.000 1.144 175 T CB -1.078 67.607 68.868 -0.306 0.000 0.866 175 T HN -0.007 nan 8.240 nan 0.000 0.434 176 L N 2.357 123.426 121.223 -0.257 0.000 1.990 176 L HA -0.174 4.166 4.340 -0.000 0.000 0.213 176 L C 2.665 179.555 176.870 0.033 0.000 1.072 176 L CA 2.547 57.277 54.840 -0.184 0.000 0.755 176 L CB -1.560 40.175 42.059 -0.541 0.000 0.889 176 L HN 0.492 nan 8.230 nan 0.000 0.432 177 T N -1.356 113.191 114.554 -0.011 0.000 2.720 177 T HA -0.264 4.086 4.350 -0.000 0.000 0.268 177 T C 1.872 176.697 174.700 0.208 0.000 1.037 177 T CA 1.488 63.650 62.100 0.103 0.000 1.144 177 T CB -0.748 68.132 68.868 0.020 0.000 0.864 177 T HN 0.637 nan 8.240 nan 0.000 0.444 178 R N -0.176 120.429 120.500 0.174 0.000 2.148 178 R HA 0.080 4.420 4.340 -0.000 0.000 0.223 178 R C 1.931 178.461 176.300 0.384 0.000 1.088 178 R CA 0.822 57.053 56.100 0.219 0.000 0.985 178 R CB -0.757 29.636 30.300 0.155 0.000 0.880 178 R HN 0.288 nan 8.270 nan 0.000 0.451 179 F N 1.177 121.212 119.950 0.142 0.000 2.146 179 F HA -0.014 4.513 4.527 -0.000 0.000 0.298 179 F C 2.151 178.103 175.800 0.252 0.000 1.096 179 F CA 0.257 58.358 58.000 0.169 0.000 1.275 179 F CB -0.866 38.219 39.000 0.142 0.000 1.008 179 F HN -0.073 nan 8.300 nan 0.000 0.480 180 F N 0.505 120.660 119.950 0.343 0.000 2.069 180 F HA -0.223 4.304 4.527 -0.000 0.000 0.298 180 F C 2.402 178.400 175.800 0.329 0.000 1.113 180 F CA 1.688 59.880 58.000 0.321 0.000 1.214 180 F CB -0.410 38.795 39.000 0.342 0.000 0.978 180 F HN -0.067 nan 8.300 nan 0.000 0.474 181 A N 1.012 123.906 122.820 0.124 0.000 1.873 181 A HA -0.221 4.099 4.320 -0.000 0.000 0.218 181 A C 2.270 179.876 177.584 0.037 0.000 1.193 181 A CA 1.967 53.992 52.037 -0.020 0.000 0.629 181 A CB -1.341 17.682 19.000 0.039 0.000 0.826 181 A HN 0.550 nan 8.150 nan 0.000 0.447 182 L N -1.678 119.605 121.223 0.099 0.000 2.042 182 L HA -0.257 4.082 4.340 -0.000 0.000 0.210 182 L C 2.700 179.632 176.870 0.104 0.000 1.076 182 L CA 2.133 57.021 54.840 0.079 0.000 0.749 182 L CB -0.593 41.486 42.059 0.034 0.000 0.893 182 L HN 0.683 nan 8.230 nan 0.000 0.432 183 H N -0.901 118.188 119.070 0.033 0.000 2.389 183 H HA -0.227 4.329 4.556 -0.000 0.000 0.299 183 H C 1.943 177.293 175.328 0.037 0.000 1.081 183 H CA 1.583 57.650 56.048 0.031 0.000 1.345 183 H CB -0.160 29.645 29.762 0.071 0.000 1.393 183 H HN 0.286 nan 8.280 nan 0.000 0.520 184 F N -0.769 119.072 119.950 -0.181 0.000 2.234 184 F HA -0.115 4.412 4.527 -0.000 0.000 0.299 184 F C 1.994 177.826 175.800 0.054 0.000 1.087 184 F CA 0.528 58.417 58.000 -0.184 0.000 1.340 184 F CB 0.104 38.880 39.000 -0.373 0.000 1.031 184 F HN 0.282 nan 8.300 nan 0.000 0.500 185 L N 0.405 121.817 121.223 0.316 0.000 2.022 185 L HA -0.084 4.256 4.340 -0.000 0.000 0.204 185 L C 2.051 179.078 176.870 0.263 0.000 1.076 185 L CA 1.580 56.604 54.840 0.306 0.000 0.749 185 L CB -1.044 41.089 42.059 0.122 0.000 0.903 185 L HN 0.105 nan 8.230 nan 0.000 0.439 186 L N -0.030 121.248 121.223 0.092 0.000 2.064 186 L HA -0.252 4.088 4.340 -0.000 0.000 0.216 186 L C -0.097 176.743 176.870 -0.050 0.000 1.077 186 L CA 1.794 56.645 54.840 0.019 0.000 0.766 186 L CB -2.357 39.691 42.059 -0.018 0.000 0.890 186 L HN 0.292 nan 8.230 nan 0.000 0.435 187 P HA -0.182 nan 4.420 nan 0.000 0.215 187 P C 1.537 178.645 177.300 -0.319 0.000 1.153 187 P CA 1.542 64.448 63.100 -0.323 0.000 0.853 187 P CB -0.036 31.355 31.700 -0.516 0.000 0.788 188 F N -0.140 119.795 119.950 -0.024 0.000 2.146 188 F HA -0.122 4.405 4.527 -0.000 0.000 0.298 188 F C 2.488 178.283 175.800 -0.008 0.000 1.096 188 F CA 1.223 59.221 58.000 -0.002 0.000 1.275 188 F CB -1.525 37.488 39.000 0.021 0.000 1.008 188 F HN -0.130 nan 8.300 nan 0.000 0.480 189 A N 0.524 123.438 122.820 0.156 0.000 1.948 189 A HA -0.188 4.132 4.320 -0.000 0.000 0.220 189 A C 2.263 179.863 177.584 0.028 0.000 1.177 189 A CA 1.755 53.841 52.037 0.081 0.000 0.636 189 A CB -1.137 17.898 19.000 0.058 0.000 0.815 189 A HN 0.420 nan 8.150 nan 0.000 0.449 190 I N -0.532 120.026 120.570 -0.020 0.000 2.142 190 I HA -0.304 3.866 4.170 -0.000 0.000 0.240 190 I C 3.041 179.139 176.117 -0.031 0.000 1.078 190 I CA 1.119 62.386 61.300 -0.054 0.000 1.343 190 I CB -0.406 37.529 38.000 -0.108 0.000 1.046 190 I HN 0.384 nan 8.210 nan 0.000 0.405 191 A N 0.898 123.699 122.820 -0.032 0.000 1.892 191 A HA -0.199 4.121 4.320 -0.000 0.000 0.218 191 A C 2.384 179.980 177.584 0.019 0.000 1.188 191 A CA 2.164 54.194 52.037 -0.012 0.000 0.631 191 A CB -1.609 17.384 19.000 -0.012 0.000 0.822 191 A HN 0.493 nan 8.150 nan 0.000 0.447 192 G N 0.172 108.999 108.800 0.045 0.000 2.628 192 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.217 192 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.217 192 G C 1.511 176.433 174.900 0.037 0.000 1.240 192 G CA 1.301 46.430 45.100 0.048 0.000 0.792 192 G HN 0.492 nan 8.290 nan 0.000 0.593 193 I N 0.787 121.380 120.570 0.038 0.000 2.248 193 I HA -0.219 3.951 4.170 -0.000 0.000 0.248 193 I C 2.957 179.108 176.117 0.057 0.000 1.107 193 I CA 1.597 62.928 61.300 0.050 0.000 1.373 193 I CB -0.683 37.337 38.000 0.034 0.000 1.055 193 I HN 0.143 nan 8.210 nan 0.000 0.418 194 T N 1.351 115.917 114.554 0.021 0.000 2.803 194 T HA -0.141 4.209 4.350 -0.000 0.000 0.269 194 T C 1.915 176.655 174.700 0.066 0.000 1.052 194 T CA 1.146 63.264 62.100 0.030 0.000 1.136 194 T CB -0.105 68.757 68.868 -0.010 0.000 0.864 194 T HN 0.171 nan 8.240 nan 0.000 0.467 195 I N 1.246 121.834 120.570 0.031 0.000 2.179 195 I HA -0.116 4.054 4.170 -0.000 0.000 0.242 195 I C 2.357 178.468 176.117 -0.010 0.000 1.088 195 I CA 1.128 62.427 61.300 -0.001 0.000 1.357 195 I CB -1.202 36.792 38.000 -0.009 0.000 1.051 195 I HN 0.229 nan 8.210 nan 0.000 0.409 196 I N 0.497 121.084 120.570 0.028 0.000 2.151 196 I HA -0.340 3.830 4.170 -0.000 0.000 0.243 196 I C 2.657 178.869 176.117 0.157 0.000 1.080 196 I CA 1.778 63.096 61.300 0.030 0.000 1.339 196 I CB -1.793 36.287 38.000 0.133 0.000 1.039 196 I HN 0.323 nan 8.210 nan 0.000 0.409 197 H N 1.525 120.667 119.070 0.121 0.000 2.265 197 H HA -0.155 4.401 4.556 -0.000 0.000 0.295 197 H C 2.230 177.598 175.328 0.067 0.000 1.084 197 H CA 1.931 58.069 56.048 0.151 0.000 1.261 197 H CB -0.357 29.451 29.762 0.077 0.000 1.360 197 H HN 0.213 nan 8.280 nan 0.000 0.487 198 L N -0.638 120.574 121.223 -0.018 0.000 2.191 198 L HA -0.157 4.183 4.340 -0.000 0.000 0.212 198 L C 2.396 178.954 176.870 -0.520 0.000 1.103 198 L CA 1.431 56.098 54.840 -0.289 0.000 0.769 198 L CB -0.488 41.408 42.059 -0.272 0.000 0.908 198 L HN 0.395 nan 8.230 nan 0.000 0.438 199 T N -0.324 114.040 114.554 -0.316 0.000 2.732 199 T HA -0.118 4.232 4.350 -0.000 0.000 0.261 199 T C 1.625 176.186 174.700 -0.231 0.000 1.040 199 T CA 1.270 63.176 62.100 -0.323 0.000 1.145 199 T CB -0.248 68.431 68.868 -0.315 0.000 0.866 199 T HN 0.073 nan 8.240 nan 0.000 0.427 200 F N 1.111 120.986 119.950 -0.124 0.000 2.126 200 F HA -0.051 4.476 4.527 -0.000 0.000 0.299 200 F C 2.124 177.829 175.800 -0.160 0.000 1.096 200 F CA 0.582 58.522 58.000 -0.100 0.000 1.255 200 F CB -0.986 37.979 39.000 -0.058 0.000 0.997 200 F HN 0.060 nan 8.300 nan 0.000 0.479 201 L N 0.290 121.500 121.223 -0.022 0.000 1.951 201 L HA -0.315 4.025 4.340 -0.000 0.000 0.222 201 L C 2.345 179.197 176.870 -0.030 0.000 1.078 201 L CA 2.197 56.974 54.840 -0.105 0.000 0.778 201 L CB -1.306 40.683 42.059 -0.117 0.000 0.893 201 L HN 0.277 nan 8.230 nan 0.000 0.436 202 H N -1.062 117.958 119.070 -0.084 0.000 2.520 202 H HA -0.170 4.386 4.556 -0.000 0.000 0.295 202 H C 1.920 177.199 175.328 -0.082 0.000 1.096 202 H CA 0.661 56.664 56.048 -0.075 0.000 1.249 202 H CB 0.110 29.834 29.762 -0.062 0.000 1.365 202 H HN 0.519 nan 8.280 nan 0.000 0.556 203 E N 0.430 120.649 120.200 0.031 0.000 2.031 203 E HA -0.139 4.211 4.350 -0.000 0.000 0.193 203 E C 2.558 179.126 176.600 -0.055 0.000 0.994 203 E CA 1.557 57.952 56.400 -0.009 0.000 0.800 203 E CB -0.166 29.537 29.700 0.004 0.000 0.752 203 E HN 0.556 nan 8.360 nan 0.000 0.447 204 S N -0.705 114.897 115.700 -0.164 0.000 2.404 204 S HA 0.269 4.739 4.470 -0.000 0.000 0.223 204 S C 1.156 175.673 174.600 -0.139 0.000 1.040 204 S CA 0.598 58.660 58.200 -0.229 0.000 0.957 204 S CB 0.281 63.093 63.200 -0.646 0.000 0.826 204 S HN 0.433 nan 8.310 nan 0.000 0.491 205 G N 0.458 109.171 108.800 -0.146 0.000 2.612 205 G HA2 0.033 3.992 3.960 -0.000 0.000 0.686 205 G HA3 0.033 3.992 3.960 -0.000 0.000 0.686 205 G C -0.647 174.308 174.900 0.091 0.000 1.274 205 G CA -0.542 44.555 45.100 -0.004 0.000 0.849 205 G HN 0.619 nan 8.290 nan 0.000 0.595 206 S N 0.163 115.961 115.700 0.164 0.000 2.549 206 S HA 0.284 4.754 4.470 -0.000 0.000 0.283 206 S C 1.055 175.846 174.600 0.318 0.000 1.320 206 S CA 0.096 58.475 58.200 0.298 0.000 1.058 206 S CB 0.866 64.181 63.200 0.192 0.000 0.882 206 S HN 0.801 nan 8.310 nan 0.000 0.498 207 N N 1.508 120.482 118.700 0.456 0.000 2.327 207 N HA 0.180 4.920 4.740 -0.000 0.000 0.257 207 N C -0.406 175.167 175.510 0.104 0.000 1.281 207 N CA -0.391 52.794 53.050 0.226 0.000 0.942 207 N CB 0.361 38.880 38.487 0.054 0.000 1.199 207 N HN 0.815 nan 8.380 nan 0.000 0.532 208 N N -1.582 117.096 118.700 -0.038 0.000 2.484 208 N HA 0.332 5.072 4.740 -0.000 0.000 0.269 208 N C -2.523 172.857 175.510 -0.217 0.000 1.237 208 N CA -1.212 51.590 53.050 -0.413 0.000 0.838 208 N CB 2.075 40.355 38.487 -0.344 0.000 1.593 208 N HN 0.205 nan 8.380 nan 0.000 0.485 209 P HA -0.243 nan 4.420 nan 0.000 0.219 209 P C 0.819 178.216 177.300 0.162 0.000 1.151 209 P CA 1.390 64.545 63.100 0.091 0.000 0.850 209 P CB 0.322 32.038 31.700 0.027 0.000 0.784 210 L N -2.514 118.707 121.223 -0.004 0.000 2.307 210 L HA 0.193 4.533 4.340 -0.000 0.000 0.211 210 L C 1.569 178.411 176.870 -0.047 0.000 1.099 210 L CA 0.888 55.689 54.840 -0.065 0.000 0.816 210 L CB -0.969 41.105 42.059 0.024 0.000 0.952 210 L HN 0.104 nan 8.230 nan 0.000 0.455 211 G N 1.970 110.763 108.800 -0.012 0.000 2.212 211 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.255 211 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.255 211 G C -0.024 174.876 174.900 0.000 0.000 1.062 211 G CA 0.436 45.522 45.100 -0.022 0.000 0.815 211 G HN 0.450 nan 8.290 nan 0.000 0.497 212 I N -3.404 117.175 120.570 0.014 0.000 2.802 212 I HA 0.766 4.936 4.170 -0.000 0.000 0.298 212 I C 0.460 176.588 176.117 0.018 0.000 1.176 212 I CA -1.010 60.307 61.300 0.029 0.000 1.025 212 I CB 1.904 39.940 38.000 0.060 0.000 1.243 212 I HN 0.200 nan 8.210 nan 0.000 0.424 213 S N 2.782 118.494 115.700 0.021 0.000 3.298 213 S HA -0.058 4.412 4.470 -0.000 0.000 0.389 213 S C 1.031 175.639 174.600 0.014 0.000 1.186 213 S CA 0.513 58.726 58.200 0.021 0.000 1.034 213 S CB -0.155 63.058 63.200 0.022 0.000 0.735 213 S HN 0.858 nan 8.310 nan 0.000 0.510 214 S N 3.012 118.718 115.700 0.009 0.000 2.583 214 S HA 0.194 4.664 4.470 -0.000 0.000 0.239 214 S C 0.450 175.053 174.600 0.005 0.000 0.966 214 S CA -0.513 57.685 58.200 -0.003 0.000 0.973 214 S CB 0.283 63.468 63.200 -0.026 0.000 0.794 214 S HN 0.711 nan 8.310 nan 0.000 0.463 215 D N 2.425 122.833 120.400 0.013 0.000 2.277 215 D HA -0.001 4.639 4.640 -0.000 0.000 0.208 215 D C 1.647 177.954 176.300 0.012 0.000 0.962 215 D CA 0.808 54.818 54.000 0.016 0.000 0.865 215 D CB -0.241 40.569 40.800 0.018 0.000 0.939 215 D HN 0.490 nan 8.370 nan 0.000 0.510 216 S N -0.056 115.649 115.700 0.009 0.000 2.469 216 S HA -0.105 4.365 4.470 -0.000 0.000 0.238 216 S C 0.600 175.201 174.600 0.002 0.000 0.998 216 S CA 0.629 58.833 58.200 0.006 0.000 0.957 216 S CB 0.250 63.454 63.200 0.007 0.000 0.764 216 S HN 0.110 nan 8.310 nan 0.000 0.514 217 D N 0.690 121.090 120.400 -0.000 0.000 2.826 217 D HA 0.262 4.902 4.640 -0.000 0.000 0.239 217 D C -1.115 175.183 176.300 -0.003 0.000 1.329 217 D CA -0.205 53.791 54.000 -0.007 0.000 0.854 217 D CB 0.298 41.085 40.800 -0.022 0.000 1.494 217 D HN 0.037 nan 8.370 nan 0.000 0.540 218 K N 1.657 122.067 120.400 0.016 0.000 2.156 218 K HA 0.695 5.015 4.320 -0.000 0.000 0.250 218 K C 0.226 176.867 176.600 0.069 0.000 0.955 218 K CA -0.951 55.361 56.287 0.040 0.000 0.855 218 K CB 2.232 34.760 32.500 0.047 0.000 1.101 218 K HN 0.392 nan 8.250 nan 0.000 0.434 219 I N -1.156 119.488 120.570 0.123 0.000 2.785 219 I HA 0.516 4.686 4.170 -0.000 0.000 0.302 219 I C -2.620 173.668 176.117 0.283 0.000 1.069 219 I CA -3.046 58.380 61.300 0.209 0.000 1.045 219 I CB 2.132 40.238 38.000 0.177 0.000 1.236 219 I HN 0.357 nan 8.210 nan 0.000 0.429 220 P HA 0.007 nan 4.420 nan 0.000 0.271 220 P C 0.477 177.968 177.300 0.319 0.000 1.216 220 P CA 0.038 63.278 63.100 0.233 0.000 0.771 220 P CB 0.889 32.669 31.700 0.133 0.000 0.864 221 F N 3.643 123.737 119.950 0.240 0.000 2.063 221 F HA -0.225 4.302 4.527 -0.000 0.000 0.298 221 F C 1.238 177.199 175.800 0.269 0.000 1.105 221 F CA 1.707 59.906 58.000 0.332 0.000 1.215 221 F CB -0.654 38.476 39.000 0.217 0.000 0.972 221 F HN 0.438 nan 8.300 nan 0.000 0.483 222 H N 1.242 120.450 119.070 0.229 0.000 2.473 222 H HA 0.254 4.810 4.556 -0.000 0.000 0.327 222 H C -1.780 173.455 175.328 -0.156 0.000 1.105 222 H CA -2.202 53.881 56.048 0.058 0.000 1.280 222 H CB 1.418 31.293 29.762 0.189 0.000 1.450 222 H HN -0.097 nan 8.280 nan 0.000 0.492 223 P HA -0.073 nan 4.420 nan 0.000 0.239 223 P C 0.723 177.706 177.300 -0.529 0.000 1.188 223 P CA 0.677 63.183 63.100 -0.989 0.000 0.794 223 P CB 0.322 31.389 31.700 -1.054 0.000 0.937 224 Y N 0.236 120.269 120.300 -0.444 0.000 2.002 224 Y HA -0.267 4.283 4.550 -0.000 0.000 0.268 224 Y C 2.321 177.797 175.900 -0.707 0.000 1.177 224 Y CA 1.609 59.342 58.100 -0.610 0.000 1.111 224 Y CB -1.388 36.610 38.460 -0.771 0.000 0.952 224 Y HN -0.072 nan 8.280 nan 0.000 0.491 225 Y N -0.977 119.133 120.300 -0.316 0.000 2.523 225 Y HA -0.074 4.476 4.550 -0.000 0.000 0.279 225 Y C 2.330 177.846 175.900 -0.641 0.000 1.139 225 Y CA 0.310 58.089 58.100 -0.536 0.000 1.296 225 Y CB -0.045 37.988 38.460 -0.713 0.000 1.045 225 Y HN 0.070 nan 8.280 nan 0.000 0.538 226 S N 0.351 115.767 115.700 -0.473 0.000 2.335 226 S HA -0.174 4.296 4.470 -0.000 0.000 0.216 226 S C 1.702 176.264 174.600 -0.064 0.000 1.032 226 S CA 1.302 59.444 58.200 -0.097 0.000 1.000 226 S CB -0.951 62.355 63.200 0.178 0.000 0.928 226 S HN 0.352 nan 8.310 nan 0.000 0.434 227 F N 2.055 121.905 119.950 -0.168 0.000 2.091 227 F HA -0.134 4.393 4.527 -0.000 0.000 0.299 227 F C 2.626 178.372 175.800 -0.090 0.000 1.103 227 F CA 1.500 59.430 58.000 -0.118 0.000 1.228 227 F CB -0.293 38.612 39.000 -0.158 0.000 0.984 227 F HN 0.110 nan 8.300 nan 0.000 0.477 228 K N 0.302 120.745 120.400 0.072 0.000 2.063 228 K HA -0.224 4.096 4.320 -0.000 0.000 0.208 228 K C 1.553 178.177 176.600 0.041 0.000 1.048 228 K CA 2.061 58.369 56.287 0.035 0.000 0.928 228 K CB -0.237 32.274 32.500 0.018 0.000 0.713 228 K HN 0.163 nan 8.250 nan 0.000 0.442 229 D N 0.579 121.010 120.400 0.051 0.000 2.117 229 D HA -0.104 4.536 4.640 -0.000 0.000 0.198 229 D C 1.857 178.176 176.300 0.031 0.000 0.982 229 D CA 0.978 55.016 54.000 0.062 0.000 0.828 229 D CB -0.110 40.771 40.800 0.135 0.000 0.967 229 D HN 0.251 nan 8.370 nan 0.000 0.464 230 I N 0.350 120.920 120.570 -0.000 0.000 2.361 230 I HA -0.224 3.946 4.170 -0.000 0.000 0.251 230 I C 2.212 178.323 176.117 -0.010 0.000 1.133 230 I CA 0.411 61.695 61.300 -0.026 0.000 1.413 230 I CB -0.064 37.869 38.000 -0.112 0.000 1.073 230 I HN 0.027 nan 8.210 nan 0.000 0.424 231 L N 1.036 122.260 121.223 0.000 0.000 2.027 231 L HA -0.027 4.313 4.340 -0.000 0.000 0.206 231 L C 2.412 179.291 176.870 0.014 0.000 1.074 231 L CA 2.179 57.026 54.840 0.012 0.000 0.745 231 L CB -1.210 40.860 42.059 0.019 0.000 0.898 231 L HN 0.163 nan 8.230 nan 0.000 0.433 232 G N -0.279 108.522 108.800 0.001 0.000 2.469 232 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.220 232 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.220 232 G C 1.598 176.526 174.900 0.047 0.000 1.136 232 G CA 1.120 46.210 45.100 -0.017 0.000 0.759 232 G HN 0.422 nan 8.290 nan 0.000 0.562 233 L N 1.413 122.673 121.223 0.061 0.000 1.970 233 L HA -0.096 4.244 4.340 -0.000 0.000 0.212 233 L C 3.316 180.253 176.870 0.112 0.000 1.071 233 L CA 3.068 57.973 54.840 0.109 0.000 0.751 233 L CB -1.091 41.009 42.059 0.067 0.000 0.889 233 L HN 0.378 nan 8.230 nan 0.000 0.432 234 T N -2.333 112.258 114.554 0.062 0.000 2.720 234 T HA -0.229 4.121 4.350 -0.000 0.000 0.268 234 T C 2.033 176.780 174.700 0.078 0.000 1.037 234 T CA 1.784 63.915 62.100 0.052 0.000 1.144 234 T CB -0.984 67.900 68.868 0.026 0.000 0.864 234 T HN 0.381 nan 8.240 nan 0.000 0.444 235 L N -0.302 120.968 121.223 0.078 0.000 1.989 235 L HA -0.093 4.247 4.340 -0.000 0.000 0.211 235 L C 3.171 180.132 176.870 0.151 0.000 1.071 235 L CA 1.498 56.391 54.840 0.089 0.000 0.749 235 L CB -0.677 41.417 42.059 0.058 0.000 0.890 235 L HN 0.248 nan 8.230 nan 0.000 0.431 236 M N -0.834 118.898 119.600 0.221 0.000 2.077 236 M HA -0.168 4.312 4.480 -0.000 0.000 0.261 236 M C 2.402 178.943 176.300 0.401 0.000 1.070 236 M CA 1.487 57.020 55.300 0.388 0.000 1.125 236 M CB -1.182 31.759 32.600 0.567 0.000 1.339 236 M HN 0.187 nan 8.290 nan 0.000 0.409 237 L N 0.648 122.025 121.223 0.256 0.000 2.151 237 L HA -0.229 4.111 4.340 -0.000 0.000 0.215 237 L C 2.281 179.205 176.870 0.090 0.000 1.084 237 L CA 1.821 56.708 54.840 0.078 0.000 0.764 237 L CB -0.955 41.107 42.059 0.004 0.000 0.891 237 L HN 0.333 nan 8.230 nan 0.000 0.435 238 T N -0.104 114.518 114.554 0.113 0.000 2.622 238 T HA -0.124 4.226 4.350 -0.000 0.000 0.266 238 T C -0.303 174.480 174.700 0.138 0.000 1.047 238 T CA 2.098 64.255 62.100 0.095 0.000 1.159 238 T CB -1.005 67.918 68.868 0.093 0.000 0.863 238 T HN 0.289 nan 8.240 nan 0.000 0.422 239 P HA -0.014 nan 4.420 nan 0.000 0.217 239 P C 1.354 178.824 177.300 0.282 0.000 1.150 239 P CA 0.759 63.987 63.100 0.214 0.000 0.832 239 P CB -0.201 31.627 31.700 0.212 0.000 0.787 240 F N 0.586 120.613 119.950 0.128 0.000 2.027 240 F HA -0.293 4.233 4.527 -0.000 0.000 0.297 240 F C 1.828 177.656 175.800 0.047 0.000 1.129 240 F CA 1.414 59.464 58.000 0.083 0.000 1.195 240 F CB -0.670 38.234 39.000 -0.159 0.000 0.960 240 F HN -0.241 nan 8.300 nan 0.000 0.485 241 L N 0.025 121.136 121.223 -0.186 0.000 2.083 241 L HA -0.230 4.110 4.340 -0.000 0.000 0.209 241 L C 2.408 179.237 176.870 -0.069 0.000 1.083 241 L CA 1.728 56.373 54.840 -0.325 0.000 0.752 241 L CB -1.232 40.647 42.059 -0.301 0.000 0.899 241 L HN 0.294 nan 8.230 nan 0.000 0.433 242 T N 0.642 115.253 114.554 0.094 0.000 2.652 242 T HA -0.222 4.128 4.350 -0.000 0.000 0.267 242 T C 1.850 176.717 174.700 0.279 0.000 1.039 242 T CA 1.870 64.127 62.100 0.262 0.000 1.153 242 T CB -0.320 68.711 68.868 0.271 0.000 0.863 242 T HN 0.253 nan 8.240 nan 0.000 0.428 243 L N 1.350 122.714 121.223 0.236 0.000 2.046 243 L HA 0.060 4.400 4.340 -0.000 0.000 0.208 243 L C 2.491 179.486 176.870 0.209 0.000 1.077 243 L CA 2.108 57.089 54.840 0.235 0.000 0.747 243 L CB -0.833 41.377 42.059 0.253 0.000 0.896 243 L HN 0.190 nan 8.230 nan 0.000 0.432 244 A N -0.784 122.140 122.820 0.174 0.000 2.015 244 A HA -0.016 4.304 4.320 -0.000 0.000 0.219 244 A C 2.213 179.828 177.584 0.052 0.000 1.163 244 A CA 1.723 53.837 52.037 0.127 0.000 0.646 244 A CB -0.605 18.410 19.000 0.026 0.000 0.806 244 A HN 0.532 nan 8.150 nan 0.000 0.448 245 L N -2.941 118.245 121.223 -0.063 0.000 2.515 245 L HA 0.196 4.535 4.340 -0.000 0.000 0.223 245 L C 1.775 178.437 176.870 -0.346 0.000 1.079 245 L CA 0.420 55.123 54.840 -0.228 0.000 0.857 245 L CB 0.033 41.820 42.059 -0.452 0.000 1.050 245 L HN 0.451 nan 8.230 nan 0.000 0.476 246 F N -1.781 118.215 119.950 0.078 0.000 2.514 246 F HA 0.113 4.640 4.527 -0.000 0.000 0.281 246 F C 1.707 177.545 175.800 0.063 0.000 1.060 246 F CA 0.085 58.120 58.000 0.059 0.000 1.397 246 F CB 0.441 39.470 39.000 0.048 0.000 1.129 246 F HN -0.207 nan 8.300 nan 0.000 0.620 247 S N 0.834 116.687 115.700 0.254 0.000 2.257 247 S HA 0.293 4.763 4.470 -0.000 0.000 0.191 247 S C -1.987 172.715 174.600 0.171 0.000 1.386 247 S CA -1.560 56.749 58.200 0.182 0.000 1.233 247 S CB -0.219 63.079 63.200 0.164 0.000 1.138 247 S HN -0.161 nan 8.310 nan 0.000 0.483 248 P HA -0.120 nan 4.420 nan 0.000 0.218 248 P C 0.474 177.898 177.300 0.207 0.000 1.152 248 P CA 1.346 64.557 63.100 0.186 0.000 0.857 248 P CB 0.069 31.872 31.700 0.173 0.000 0.787 249 N N -1.827 116.981 118.700 0.179 0.000 2.234 249 N HA 0.078 4.818 4.740 -0.000 0.000 0.227 249 N C 1.223 176.830 175.510 0.162 0.000 1.151 249 N CA -0.245 52.919 53.050 0.191 0.000 0.865 249 N CB -0.023 38.561 38.487 0.162 0.000 1.066 249 N HN 0.065 nan 8.380 nan 0.000 0.515 250 L N 0.974 122.288 121.223 0.153 0.000 2.089 250 L HA -0.120 4.220 4.340 -0.000 0.000 0.213 250 L C 1.786 178.741 176.870 0.142 0.000 1.079 250 L CA 1.717 56.635 54.840 0.129 0.000 0.758 250 L CB -0.203 41.930 42.059 0.124 0.000 0.891 250 L HN 0.151 nan 8.230 nan 0.000 0.433 251 L N -1.573 119.762 121.223 0.187 0.000 2.202 251 L HA 0.200 4.540 4.340 -0.000 0.000 0.205 251 L C 1.419 178.419 176.870 0.217 0.000 1.083 251 L CA 0.272 55.244 54.840 0.220 0.000 0.790 251 L CB -0.965 41.280 42.059 0.310 0.000 0.942 251 L HN 0.293 nan 8.230 nan 0.000 0.452 252 G N 0.307 109.249 108.800 0.237 0.000 2.406 252 G HA2 0.019 3.979 3.960 -0.000 0.000 0.251 252 G HA3 0.019 3.979 3.960 -0.000 0.000 0.251 252 G C -0.708 174.336 174.900 0.241 0.000 1.271 252 G CA -0.302 44.955 45.100 0.261 0.000 0.859 252 G HN -0.004 nan 8.290 nan 0.000 0.540 253 D N 2.422 122.971 120.400 0.249 0.000 2.389 253 D HA 0.087 4.727 4.640 -0.000 0.000 0.247 253 D C -0.803 175.660 176.300 0.271 0.000 1.128 253 D CA -1.577 52.556 54.000 0.221 0.000 0.884 253 D CB 1.942 42.875 40.800 0.222 0.000 1.194 253 D HN 0.151 nan 8.370 nan 0.000 0.441 254 P HA -0.086 nan 4.420 nan 0.000 0.225 254 P C 0.929 178.397 177.300 0.281 0.000 1.156 254 P CA 0.531 63.750 63.100 0.199 0.000 0.787 254 P CB 0.421 32.147 31.700 0.042 0.000 0.802 255 E N 0.468 120.799 120.200 0.219 0.000 2.455 255 E HA -0.155 4.195 4.350 -0.000 0.000 0.202 255 E C 1.220 177.963 176.600 0.238 0.000 1.045 255 E CA 0.648 57.164 56.400 0.193 0.000 0.872 255 E CB -0.870 28.919 29.700 0.150 0.000 0.792 255 E HN 0.032 nan 8.360 nan 0.000 0.542 256 N N -0.972 117.913 118.700 0.309 0.000 2.295 256 N HA 0.095 4.835 4.740 -0.000 0.000 0.221 256 N C -0.690 174.971 175.510 0.251 0.000 1.129 256 N CA 0.054 53.244 53.050 0.234 0.000 0.836 256 N CB 0.101 38.674 38.487 0.143 0.000 1.040 256 N HN 0.095 nan 8.380 nan 0.000 0.494 257 F N -1.087 118.994 119.950 0.218 0.000 2.688 257 F HA 0.336 4.863 4.527 -0.000 0.000 0.310 257 F C 0.347 176.329 175.800 0.304 0.000 1.098 257 F CA -0.031 58.148 58.000 0.298 0.000 1.228 257 F CB 0.839 39.950 39.000 0.186 0.000 1.042 257 F HN -0.254 nan 8.300 nan 0.000 0.557 258 T N 2.121 116.862 114.554 0.311 0.000 2.791 258 T HA 0.315 4.665 4.350 -0.000 0.000 0.288 258 T C -2.611 172.032 174.700 -0.096 0.000 0.999 258 T CA -1.727 60.410 62.100 0.061 0.000 0.952 258 T CB 1.700 70.611 68.868 0.071 0.000 0.938 258 T HN -0.313 nan 8.240 nan 0.000 0.444 259 P HA 0.120 nan 4.420 nan 0.000 0.262 259 P C -0.388 176.775 177.300 -0.228 0.000 1.182 259 P CA -0.125 62.682 63.100 -0.489 0.000 0.761 259 P CB 0.277 31.584 31.700 -0.656 0.000 0.795 260 A N 3.622 126.301 122.820 -0.236 0.000 2.609 260 A HA 0.106 4.426 4.320 -0.000 0.000 0.232 260 A C 0.575 177.921 177.584 -0.396 0.000 1.041 260 A CA 0.735 52.532 52.037 -0.401 0.000 0.753 260 A CB -0.620 17.818 19.000 -0.936 0.000 0.966 260 A HN 0.660 nan 8.150 nan 0.000 0.510 261 N N 2.094 120.589 118.700 -0.342 0.000 2.572 261 N HA 0.393 5.133 4.740 -0.000 0.000 0.287 261 N C -2.727 172.699 175.510 -0.139 0.000 1.136 261 N CA -1.834 51.067 53.050 -0.248 0.000 0.900 261 N CB 1.820 40.253 38.487 -0.089 0.000 1.484 261 N HN 0.058 nan 8.380 nan 0.000 0.526 262 P HA 0.048 nan 4.420 nan 0.000 0.228 262 P C 0.485 177.928 177.300 0.239 0.000 1.151 262 P CA 0.840 63.871 63.100 -0.115 0.000 0.770 262 P CB 0.320 31.870 31.700 -0.250 0.000 0.786 263 L N -1.067 120.235 121.223 0.131 0.000 2.791 263 L HA 0.217 4.557 4.340 -0.000 0.000 0.239 263 L C -0.219 176.700 176.870 0.083 0.000 1.203 263 L CA -0.086 54.818 54.840 0.106 0.000 1.002 263 L CB 0.420 42.499 42.059 0.032 0.000 1.295 263 L HN -0.255 nan 8.230 nan 0.000 0.504 264 V N -0.979 119.017 119.914 0.136 0.000 2.663 264 V HA 0.135 4.255 4.120 -0.000 0.000 0.286 264 V C -0.167 175.735 176.094 -0.321 0.000 1.085 264 V CA -0.469 61.803 62.300 -0.047 0.000 0.916 264 V CB 1.979 33.780 31.823 -0.037 0.000 1.039 264 V HN 0.089 nan 8.190 nan 0.000 0.453 265 T N 7.057 121.253 114.554 -0.597 0.000 2.780 265 T HA 0.425 4.775 4.350 -0.000 0.000 0.294 265 T C -2.344 171.907 174.700 -0.749 0.000 0.949 265 T CA -0.911 60.459 62.100 -1.218 0.000 1.074 265 T CB 1.491 69.834 68.868 -0.876 0.000 0.910 265 T HN 0.362 nan 8.240 nan 0.000 0.501 266 P HA 0.180 nan 4.420 nan 0.000 0.272 266 P C -1.726 175.380 177.300 -0.323 0.000 1.223 266 P CA -1.284 61.586 63.100 -0.383 0.000 0.784 266 P CB 0.192 31.747 31.700 -0.243 0.000 0.923 267 P HA -0.159 nan 4.420 nan 0.000 0.213 267 P C -0.402 176.511 177.300 -0.646 0.000 1.176 267 P CA 1.637 64.468 63.100 -0.449 0.000 0.919 267 P CB -0.086 31.403 31.700 -0.351 0.000 0.791 268 H N -1.838 117.218 119.070 -0.023 0.000 2.860 268 H HA 0.383 4.939 4.556 -0.000 0.000 0.312 268 H C -0.369 174.983 175.328 0.040 0.000 0.995 268 H CA -0.566 55.490 56.048 0.013 0.000 1.311 268 H CB 0.325 30.102 29.762 0.024 0.000 1.478 268 H HN -0.022 nan 8.280 nan 0.000 0.508 269 I N 5.263 125.918 120.570 0.141 0.000 2.322 269 I HA 0.163 4.332 4.170 -0.000 0.000 0.292 269 I C -0.109 176.113 176.117 0.175 0.000 1.060 269 I CA -0.097 61.287 61.300 0.140 0.000 1.309 269 I CB 0.108 38.193 38.000 0.143 0.000 1.415 269 I HN 0.538 nan 8.210 nan 0.000 0.492 270 K N 7.837 128.281 120.400 0.073 0.000 2.498 270 K HA 0.650 4.969 4.320 -0.000 0.000 0.254 270 K C -3.113 173.376 176.600 -0.184 0.000 0.933 270 K CA -1.654 54.609 56.287 -0.040 0.000 0.806 270 K CB 2.467 35.041 32.500 0.123 0.000 1.301 270 K HN 0.120 nan 8.250 nan 0.000 0.432 271 P HA 0.080 nan 4.420 nan 0.000 0.277 271 P C -0.581 176.507 177.300 -0.353 0.000 1.276 271 P CA -0.285 62.600 63.100 -0.359 0.000 0.788 271 P CB 0.532 32.032 31.700 -0.333 0.000 1.114 272 E N 0.006 119.842 120.200 -0.607 0.000 2.409 272 E HA -0.042 4.308 4.350 -0.000 0.000 0.257 272 E C 1.685 177.878 176.600 -0.679 0.000 1.150 272 E CA -0.098 55.869 56.400 -0.722 0.000 0.942 272 E CB 0.086 28.997 29.700 -1.314 0.000 0.979 272 E HN 0.648 nan 8.360 nan 0.000 0.447 273 W N 3.104 124.155 121.300 -0.416 0.000 2.290 273 W HA -0.315 4.345 4.660 -0.000 0.000 0.311 273 W C 1.372 177.782 176.519 -0.181 0.000 1.238 273 W CA 1.531 58.753 57.345 -0.206 0.000 1.255 273 W CB -1.222 28.207 29.460 -0.051 0.000 1.145 273 W HN 0.613 nan 8.180 nan 0.000 0.506 274 Y N -2.294 117.319 120.300 -1.146 0.000 2.680 274 Y HA 0.169 4.719 4.550 -0.000 0.000 0.303 274 Y C 1.485 176.995 175.900 -0.649 0.000 1.166 274 Y CA 0.341 57.733 58.100 -1.181 0.000 1.344 274 Y CB -1.809 35.338 38.460 -2.188 0.000 1.002 274 Y HN -0.035 nan 8.280 nan 0.000 0.537 275 F N -1.281 118.450 119.950 -0.364 0.000 2.789 275 F HA 0.180 4.707 4.527 -0.000 0.000 0.320 275 F C 1.800 177.397 175.800 -0.338 0.000 1.079 275 F CA -0.340 57.452 58.000 -0.347 0.000 1.205 275 F CB 0.290 39.043 39.000 -0.411 0.000 1.046 275 F HN -0.019 nan 8.300 nan 0.000 0.586 276 L N 0.542 121.768 121.223 0.005 0.000 1.991 276 L HA -0.326 4.014 4.340 -0.000 0.000 0.221 276 L C 2.636 179.524 176.870 0.030 0.000 1.079 276 L CA 2.254 57.133 54.840 0.065 0.000 0.778 276 L CB -1.118 41.012 42.059 0.118 0.000 0.893 276 L HN 0.315 nan 8.230 nan 0.000 0.437 277 F N 0.765 120.732 119.950 0.027 0.000 2.111 277 F HA -0.291 4.236 4.527 -0.000 0.000 0.300 277 F C 2.313 178.090 175.800 -0.037 0.000 1.088 277 F CA 1.337 59.316 58.000 -0.035 0.000 1.243 277 F CB -1.065 37.873 39.000 -0.104 0.000 0.996 277 F HN -0.021 nan 8.300 nan 0.000 0.483 278 A N -0.889 121.145 122.820 -1.310 0.000 2.016 278 A HA -0.094 4.226 4.320 -0.000 0.000 0.217 278 A C 2.114 179.525 177.584 -0.289 0.000 1.162 278 A CA 1.034 52.546 52.037 -0.875 0.000 0.662 278 A CB -1.520 16.875 19.000 -1.008 0.000 0.812 278 A HN 0.610 nan 8.150 nan 0.000 0.450 279 Y N 0.817 120.906 120.300 -0.351 0.000 2.242 279 Y HA -0.054 4.496 4.550 -0.000 0.000 0.291 279 Y C 2.595 178.398 175.900 -0.162 0.000 1.137 279 Y CA 0.602 58.570 58.100 -0.220 0.000 1.181 279 Y CB -0.693 37.664 38.460 -0.171 0.000 0.989 279 Y HN 0.317 nan 8.280 nan 0.000 0.527 280 A N 0.171 122.924 122.820 -0.112 0.000 1.873 280 A HA -0.145 4.175 4.320 -0.000 0.000 0.215 280 A C 2.319 179.826 177.584 -0.129 0.000 1.186 280 A CA 1.854 53.794 52.037 -0.160 0.000 0.616 280 A CB -1.092 17.855 19.000 -0.089 0.000 0.823 280 A HN 0.455 nan 8.150 nan 0.000 0.442 281 I N -0.473 120.048 120.570 -0.082 0.000 2.614 281 I HA -0.195 3.975 4.170 -0.000 0.000 0.258 281 I C 2.332 178.412 176.117 -0.061 0.000 1.189 281 I CA 0.795 62.074 61.300 -0.036 0.000 1.462 281 I CB -0.183 37.836 38.000 0.031 0.000 1.092 281 I HN 0.404 nan 8.210 nan 0.000 0.442 282 L N 1.085 122.253 121.223 -0.093 0.000 2.056 282 L HA -0.121 4.219 4.340 -0.000 0.000 0.207 282 L C 2.402 179.203 176.870 -0.115 0.000 1.078 282 L CA 1.793 56.582 54.840 -0.085 0.000 0.749 282 L CB -0.457 41.567 42.059 -0.059 0.000 0.901 282 L HN 0.088 nan 8.230 nan 0.000 0.433 283 R N -0.699 119.691 120.500 -0.183 0.000 2.297 283 R HA 0.064 4.404 4.340 -0.000 0.000 0.197 283 R C 2.215 178.441 176.300 -0.124 0.000 0.943 283 R CA 0.797 56.785 56.100 -0.185 0.000 1.038 283 R CB -0.327 29.791 30.300 -0.303 0.000 0.957 283 R HN 0.615 nan 8.270 nan 0.000 0.484 284 S N 0.796 116.435 115.700 -0.101 0.000 2.383 284 S HA -0.012 4.458 4.470 -0.000 0.000 0.227 284 S C 1.109 175.672 174.600 -0.062 0.000 1.026 284 S CA 0.482 58.641 58.200 -0.070 0.000 0.981 284 S CB 0.040 63.209 63.200 -0.052 0.000 0.818 284 S HN 0.025 nan 8.310 nan 0.000 0.472 285 I N 4.477 125.007 120.570 -0.068 0.000 2.287 285 I HA 0.345 4.515 4.170 -0.000 0.000 0.290 285 I C -2.541 173.545 176.117 -0.051 0.000 1.069 285 I CA -3.074 58.190 61.300 -0.060 0.000 1.237 285 I CB 0.273 38.233 38.000 -0.068 0.000 1.418 285 I HN 0.146 nan 8.210 nan 0.000 0.481 286 P HA 0.190 nan 4.420 nan 0.000 0.274 286 P C -0.302 176.982 177.300 -0.027 0.000 1.470 286 P CA -0.015 63.064 63.100 -0.035 0.000 1.001 286 P CB 0.599 32.282 31.700 -0.029 0.000 1.332 287 N N 3.598 122.282 118.700 -0.026 0.000 4.308 287 N HA -0.036 4.704 4.740 -0.000 0.000 0.168 287 N C 0.769 176.266 175.510 -0.021 0.000 1.348 287 N CA -0.213 52.825 53.050 -0.021 0.000 0.882 287 N CB 0.457 38.930 38.487 -0.024 0.000 1.713 287 N HN 0.056 nan 8.380 nan 0.000 0.818 288 K N 0.745 121.136 120.400 -0.015 0.000 2.128 288 K HA -0.268 4.052 4.320 -0.000 0.000 0.220 288 K C 1.623 178.213 176.600 -0.016 0.000 1.049 288 K CA 2.344 58.623 56.287 -0.014 0.000 0.948 288 K CB 0.051 32.546 32.500 -0.009 0.000 0.742 288 K HN 0.429 nan 8.250 nan 0.000 0.465 289 L N 0.032 121.243 121.223 -0.020 0.000 2.007 289 L HA -0.012 4.328 4.340 -0.000 0.000 0.205 289 L C 2.261 179.118 176.870 -0.020 0.000 1.073 289 L CA 2.425 57.253 54.840 -0.021 0.000 0.744 289 L CB -1.338 40.702 42.059 -0.032 0.000 0.898 289 L HN 0.320 nan 8.230 nan 0.000 0.435 290 G N -0.909 107.875 108.800 -0.027 0.000 2.505 290 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.220 290 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.220 290 G C 1.512 176.390 174.900 -0.036 0.000 1.145 290 G CA 0.796 45.876 45.100 -0.034 0.000 0.761 290 G HN 0.630 nan 8.290 nan 0.000 0.571 291 G N 0.014 108.793 108.800 -0.035 0.000 2.432 291 G HA2 -0.085 3.875 3.960 -0.000 0.000 0.219 291 G HA3 -0.085 3.875 3.960 -0.000 0.000 0.219 291 G C 1.749 176.636 174.900 -0.022 0.000 1.135 291 G CA 1.086 46.164 45.100 -0.038 0.000 0.767 291 G HN 0.349 nan 8.290 nan 0.000 0.550 292 V N 0.935 120.844 119.914 -0.009 0.000 2.307 292 V HA -0.107 4.013 4.120 -0.000 0.000 0.245 292 V C 2.930 179.038 176.094 0.022 0.000 1.045 292 V CA 1.515 63.822 62.300 0.011 0.000 1.024 292 V CB -0.419 31.422 31.823 0.031 0.000 0.651 292 V HN 0.359 nan 8.190 nan 0.000 0.449 293 L N 0.293 121.525 121.223 0.015 0.000 2.042 293 L HA -0.186 4.154 4.340 -0.000 0.000 0.210 293 L C 2.736 179.636 176.870 0.050 0.000 1.076 293 L CA 1.736 56.594 54.840 0.030 0.000 0.749 293 L CB -0.957 41.108 42.059 0.010 0.000 0.893 293 L HN 0.356 nan 8.230 nan 0.000 0.432 294 A N -0.016 122.810 122.820 0.011 0.000 1.978 294 A HA -0.216 4.104 4.320 -0.000 0.000 0.220 294 A C 2.213 179.870 177.584 0.122 0.000 1.170 294 A CA 1.857 53.898 52.037 0.008 0.000 0.636 294 A CB -0.594 18.358 19.000 -0.080 0.000 0.810 294 A HN 0.354 nan 8.150 nan 0.000 0.448 295 L N -0.415 120.847 121.223 0.064 0.000 2.023 295 L HA 0.099 4.439 4.340 -0.000 0.000 0.205 295 L C 2.616 179.542 176.870 0.093 0.000 1.073 295 L CA 2.112 56.982 54.840 0.049 0.000 0.745 295 L CB -1.273 40.774 42.059 -0.020 0.000 0.900 295 L HN 0.326 nan 8.230 nan 0.000 0.435 296 A N 0.271 123.142 122.820 0.085 0.000 1.870 296 A HA -0.289 4.031 4.320 -0.000 0.000 0.219 296 A C 2.450 180.132 177.584 0.162 0.000 1.224 296 A CA 2.896 54.993 52.037 0.100 0.000 0.650 296 A CB -1.601 17.451 19.000 0.086 0.000 0.836 296 A HN 0.667 nan 8.150 nan 0.000 0.454 297 A N -0.174 122.780 122.820 0.224 0.000 2.070 297 A HA -0.031 4.289 4.320 -0.000 0.000 0.220 297 A C 2.388 180.183 177.584 0.352 0.000 1.159 297 A CA 2.178 54.404 52.037 0.316 0.000 0.656 297 A CB -0.980 18.273 19.000 0.422 0.000 0.800 297 A HN 1.222 nan 8.150 nan 0.000 0.453 298 S N -0.955 114.980 115.700 0.391 0.000 2.419 298 S HA -0.080 4.390 4.470 -0.000 0.000 0.233 298 S C 1.543 176.289 174.600 0.243 0.000 1.016 298 S CA 1.596 59.984 58.200 0.314 0.000 0.974 298 S CB -0.337 63.015 63.200 0.253 0.000 0.786 298 S HN 0.255 nan 8.310 nan 0.000 0.492 299 V N 0.785 120.821 119.914 0.204 0.000 2.908 299 V HA 0.279 4.399 4.120 -0.000 0.000 0.240 299 V C 2.216 178.349 176.094 0.065 0.000 1.117 299 V CA 0.512 62.905 62.300 0.155 0.000 1.133 299 V CB -0.375 31.542 31.823 0.156 0.000 0.857 299 V HN 0.406 nan 8.190 nan 0.000 0.478 300 L N -0.008 121.282 121.223 0.111 0.000 2.353 300 L HA -0.145 4.195 4.340 -0.000 0.000 0.220 300 L C 2.339 179.305 176.870 0.159 0.000 1.133 300 L CA 0.974 55.903 54.840 0.148 0.000 0.798 300 L CB -0.468 41.733 42.059 0.236 0.000 0.922 300 L HN 0.352 nan 8.230 nan 0.000 0.445 301 I N 0.130 120.770 120.570 0.117 0.000 2.335 301 I HA -0.281 3.889 4.170 -0.000 0.000 0.251 301 I C 2.126 178.282 176.117 0.066 0.000 1.129 301 I CA 1.497 62.844 61.300 0.078 0.000 1.402 301 I CB -0.089 37.879 38.000 -0.052 0.000 1.069 301 I HN 0.092 nan 8.210 nan 0.000 0.424 302 L N -0.550 120.684 121.223 0.019 0.000 2.129 302 L HA -0.238 4.101 4.340 -0.000 0.000 0.212 302 L C 2.250 179.237 176.870 0.195 0.000 1.087 302 L CA 1.844 56.719 54.840 0.057 0.000 0.757 302 L CB -0.874 41.099 42.059 -0.144 0.000 0.896 302 L HN 0.201 nan 8.230 nan 0.000 0.434 303 F N -1.286 118.764 119.950 0.166 0.000 2.408 303 F HA -0.184 4.342 4.527 -0.000 0.000 0.300 303 F C 1.955 177.803 175.800 0.080 0.000 1.090 303 F CA 0.421 58.518 58.000 0.162 0.000 1.427 303 F CB -0.065 39.007 39.000 0.119 0.000 1.070 303 F HN 0.043 nan 8.300 nan 0.000 0.549 304 L N -0.933 120.425 121.223 0.225 0.000 2.416 304 L HA -0.076 4.264 4.340 -0.000 0.000 0.216 304 L C 2.184 179.000 176.870 -0.090 0.000 1.098 304 L CA -0.135 54.780 54.840 0.126 0.000 0.840 304 L CB -0.306 41.849 42.059 0.160 0.000 0.981 304 L HN 0.079 nan 8.230 nan 0.000 0.462 305 I N 1.159 121.623 120.570 -0.177 0.000 2.143 305 I HA -0.231 3.939 4.170 -0.000 0.000 0.245 305 I C -0.032 175.648 176.117 -0.730 0.000 1.068 305 I CA 2.068 63.071 61.300 -0.496 0.000 1.326 305 I CB -2.316 35.282 38.000 -0.670 0.000 1.028 305 I HN 0.167 nan 8.210 nan 0.000 0.412 306 P HA -0.157 nan 4.420 nan 0.000 0.216 306 P C 1.614 178.700 177.300 -0.357 0.000 1.150 306 P CA 1.445 64.176 63.100 -0.615 0.000 0.837 306 P CB -0.145 31.090 31.700 -0.775 0.000 0.786 307 F N -1.924 117.982 119.950 -0.073 0.000 2.811 307 F HA 0.137 4.664 4.527 -0.000 0.000 0.301 307 F C 1.535 177.321 175.800 -0.025 0.000 1.151 307 F CA 0.431 58.417 58.000 -0.023 0.000 1.412 307 F CB -0.920 38.078 39.000 -0.002 0.000 1.113 307 F HN -0.143 nan 8.300 nan 0.000 0.579 308 L N -0.613 120.637 121.223 0.045 0.000 2.928 308 L HA 0.182 4.521 4.340 -0.000 0.000 0.246 308 L C -0.280 176.582 176.870 -0.014 0.000 1.239 308 L CA -0.174 54.673 54.840 0.012 0.000 1.035 308 L CB -0.479 41.560 42.059 -0.034 0.000 1.360 308 L HN 0.034 nan 8.230 nan 0.000 0.529 309 H N 0.610 119.640 119.070 -0.067 0.000 2.594 309 H HA 0.249 4.805 4.556 -0.000 0.000 0.304 309 H C 0.627 175.947 175.328 -0.013 0.000 1.068 309 H CA -0.275 55.748 56.048 -0.042 0.000 1.308 309 H CB 0.844 30.638 29.762 0.052 0.000 1.409 309 H HN -0.119 nan 8.280 nan 0.000 0.460 310 K N 2.900 123.129 120.400 -0.284 0.000 2.380 310 K HA 0.072 4.392 4.320 -0.000 0.000 0.198 310 K C 0.578 177.019 176.600 -0.266 0.000 1.070 310 K CA -0.061 56.121 56.287 -0.174 0.000 1.040 310 K CB 0.675 33.122 32.500 -0.088 0.000 0.903 310 K HN 0.473 nan 8.250 nan 0.000 0.549 311 S N 1.438 116.806 115.700 -0.552 0.000 2.573 311 S HA 0.048 4.517 4.470 -0.000 0.000 0.277 311 S C 1.121 175.616 174.600 -0.175 0.000 1.346 311 S CA -0.036 57.952 58.200 -0.353 0.000 1.034 311 S CB 0.647 63.621 63.200 -0.376 0.000 0.879 311 S HN 0.012 nan 8.310 nan 0.000 0.528 312 K N 1.971 122.321 120.400 -0.084 0.000 2.418 312 K HA 0.114 4.434 4.320 -0.000 0.000 0.195 312 K C 0.276 176.860 176.600 -0.027 0.000 1.035 312 K CA 0.638 56.876 56.287 -0.081 0.000 1.003 312 K CB 0.079 32.467 32.500 -0.186 0.000 0.793 312 K HN 0.670 nan 8.250 nan 0.000 0.494 313 Q N -0.131 119.677 119.800 0.013 0.000 2.301 313 Q HA 0.300 4.639 4.340 -0.000 0.000 0.267 313 Q C 0.702 176.738 176.000 0.061 0.000 1.035 313 Q CA -0.416 55.412 55.803 0.042 0.000 0.856 313 Q CB 2.320 31.101 28.738 0.073 0.000 1.337 313 Q HN -0.069 nan 8.270 nan 0.000 0.450 314 R N 0.502 121.007 120.500 0.008 0.000 2.062 314 R HA -0.043 4.297 4.340 -0.000 0.000 0.229 314 R C 0.835 177.067 176.300 -0.115 0.000 1.128 314 R CA 1.684 57.747 56.100 -0.061 0.000 0.960 314 R CB 0.075 30.277 30.300 -0.164 0.000 0.855 314 R HN 0.809 nan 8.270 nan 0.000 0.432 315 T N -2.810 111.640 114.554 -0.173 0.000 2.897 315 T HA 0.264 4.614 4.350 -0.000 0.000 0.278 315 T C 0.899 175.324 174.700 -0.457 0.000 0.981 315 T CA -0.741 61.162 62.100 -0.329 0.000 0.973 315 T CB 1.248 69.938 68.868 -0.296 0.000 1.092 315 T HN 0.083 nan 8.240 nan 0.000 0.543 316 M N 0.344 119.448 119.600 -0.826 0.000 2.431 316 M HA 0.097 4.577 4.480 -0.000 0.000 0.237 316 M C 1.767 177.647 176.300 -0.700 0.000 1.130 316 M CA -0.092 54.705 55.300 -0.838 0.000 1.002 316 M CB -0.254 31.555 32.600 -1.318 0.000 1.524 316 M HN 0.759 nan 8.290 nan 0.000 0.482 317 T N 0.568 114.715 114.554 -0.678 0.000 2.759 317 T HA -0.123 4.227 4.350 -0.000 0.000 0.269 317 T C 0.913 175.412 174.700 -0.334 0.000 1.042 317 T CA 1.471 63.245 62.100 -0.544 0.000 1.140 317 T CB -0.231 68.135 68.868 -0.836 0.000 0.864 317 T HN 0.430 nan 8.240 nan 0.000 0.455 318 F N 0.619 120.519 119.950 -0.084 0.000 2.708 318 F HA 0.375 4.902 4.527 -0.000 0.000 0.300 318 F C 0.853 176.627 175.800 -0.043 0.000 1.118 318 F CA -0.711 57.267 58.000 -0.037 0.000 1.307 318 F CB 0.400 39.390 39.000 -0.017 0.000 0.986 318 F HN -0.276 nan 8.300 nan 0.000 0.522 319 R N 1.672 122.202 120.500 0.050 0.000 2.651 319 R HA 0.170 4.510 4.340 -0.000 0.000 0.282 319 R C -2.020 174.296 176.300 0.027 0.000 1.565 319 R CA -1.377 54.736 56.100 0.021 0.000 1.661 319 R CB 0.417 30.689 30.300 -0.048 0.000 1.189 319 R HN -0.047 nan 8.270 nan 0.000 0.621 320 P HA -0.234 nan 4.420 nan 0.000 0.217 320 P C 1.095 178.454 177.300 0.098 0.000 1.148 320 P CA 1.293 64.449 63.100 0.093 0.000 0.834 320 P CB 0.411 32.165 31.700 0.091 0.000 0.783 321 L N -0.426 120.843 121.223 0.076 0.000 2.005 321 L HA -0.111 4.229 4.340 -0.000 0.000 0.207 321 L C 2.801 179.737 176.870 0.109 0.000 1.072 321 L CA 1.740 56.628 54.840 0.080 0.000 0.744 321 L CB -1.303 40.791 42.059 0.058 0.000 0.895 321 L HN -0.005 nan 8.230 nan 0.000 0.433 322 S N -0.449 115.314 115.700 0.106 0.000 2.374 322 S HA -0.261 4.209 4.470 -0.000 0.000 0.227 322 S C 1.878 176.623 174.600 0.241 0.000 1.037 322 S CA 1.371 59.685 58.200 0.191 0.000 1.024 322 S CB -0.307 62.936 63.200 0.070 0.000 0.861 322 S HN 0.418 nan 8.310 nan 0.000 0.456 323 Q N 0.444 120.337 119.800 0.154 0.000 2.014 323 Q HA -0.183 4.157 4.340 -0.000 0.000 0.207 323 Q C 2.705 178.953 176.000 0.413 0.000 0.993 323 Q CA 2.007 57.971 55.803 0.270 0.000 0.850 323 Q CB -0.929 27.983 28.738 0.289 0.000 0.916 323 Q HN 0.817 nan 8.270 nan 0.000 0.417 324 T N -0.087 114.665 114.554 0.330 0.000 2.788 324 T HA -0.162 4.188 4.350 -0.000 0.000 0.268 324 T C 1.843 176.686 174.700 0.238 0.000 1.044 324 T CA 1.095 63.386 62.100 0.318 0.000 1.139 324 T CB -0.344 68.638 68.868 0.190 0.000 0.867 324 T HN 0.098 nan 8.240 nan 0.000 0.454 325 L N 0.546 121.859 121.223 0.150 0.000 2.042 325 L HA 0.115 4.455 4.340 -0.000 0.000 0.210 325 L C 2.196 179.047 176.870 -0.031 0.000 1.076 325 L CA 1.507 56.327 54.840 -0.033 0.000 0.749 325 L CB -1.277 40.683 42.059 -0.166 0.000 0.893 325 L HN 0.392 nan 8.230 nan 0.000 0.432 326 F N -1.155 118.844 119.950 0.081 0.000 2.069 326 F HA -0.276 4.251 4.527 -0.000 0.000 0.298 326 F C 1.944 177.677 175.800 -0.111 0.000 1.113 326 F CA 1.873 59.928 58.000 0.093 0.000 1.214 326 F CB -0.642 38.349 39.000 -0.016 0.000 0.978 326 F HN 0.107 nan 8.300 nan 0.000 0.474 327 W N -0.235 121.226 121.300 0.269 0.000 2.465 327 W HA -0.089 4.570 4.660 -0.000 0.000 0.268 327 W C 2.049 178.544 176.519 -0.040 0.000 1.242 327 W CA 0.112 57.511 57.345 0.091 0.000 1.248 327 W CB -0.287 29.283 29.460 0.184 0.000 1.118 327 W HN 0.113 nan 8.180 nan 0.000 0.587 328 L N -0.190 121.128 121.223 0.159 0.000 2.027 328 L HA -0.159 4.181 4.340 -0.000 0.000 0.206 328 L C 2.361 179.213 176.870 -0.030 0.000 1.074 328 L CA 1.500 56.372 54.840 0.054 0.000 0.745 328 L CB -1.296 40.762 42.059 -0.003 0.000 0.898 328 L HN -0.007 nan 8.230 nan 0.000 0.433 329 L N -1.229 119.909 121.223 -0.142 0.000 1.990 329 L HA -0.210 4.130 4.340 -0.000 0.000 0.213 329 L C 2.410 179.186 176.870 -0.158 0.000 1.072 329 L CA 1.912 56.644 54.840 -0.181 0.000 0.755 329 L CB -0.753 41.136 42.059 -0.284 0.000 0.889 329 L HN 0.095 nan 8.230 nan 0.000 0.432 330 V N 0.289 120.043 119.914 -0.267 0.000 2.231 330 V HA -0.391 3.729 4.120 -0.000 0.000 0.248 330 V C 2.816 178.900 176.094 -0.018 0.000 1.054 330 V CA 2.114 64.310 62.300 -0.173 0.000 1.015 330 V CB -1.619 30.173 31.823 -0.052 0.000 0.638 330 V HN 0.662 nan 8.190 nan 0.000 0.444 331 A N 0.296 123.148 122.820 0.053 0.000 1.908 331 A HA -0.314 4.006 4.320 -0.000 0.000 0.218 331 A C 2.134 179.742 177.584 0.039 0.000 1.181 331 A CA 2.188 54.257 52.037 0.054 0.000 0.627 331 A CB -0.923 18.115 19.000 0.064 0.000 0.818 331 A HN 0.605 nan 8.150 nan 0.000 0.445 332 N N 0.359 119.078 118.700 0.032 0.000 2.137 332 N HA -0.150 4.590 4.740 -0.000 0.000 0.190 332 N C 1.530 177.083 175.510 0.071 0.000 1.017 332 N CA 1.808 54.895 53.050 0.062 0.000 0.859 332 N CB -0.442 38.084 38.487 0.065 0.000 1.002 332 N HN 0.552 nan 8.380 nan 0.000 0.428 333 L N -0.026 121.212 121.223 0.024 0.000 2.109 333 L HA -0.048 4.292 4.340 -0.000 0.000 0.207 333 L C 2.448 179.331 176.870 0.022 0.000 1.086 333 L CA 0.398 55.226 54.840 -0.021 0.000 0.760 333 L CB -0.333 41.639 42.059 -0.144 0.000 0.910 333 L HN 0.158 nan 8.230 nan 0.000 0.437 334 L N -0.172 121.070 121.223 0.032 0.000 1.989 334 L HA -0.271 4.069 4.340 -0.000 0.000 0.211 334 L C 2.528 179.479 176.870 0.133 0.000 1.071 334 L CA 1.569 56.446 54.840 0.062 0.000 0.749 334 L CB -0.383 41.697 42.059 0.033 0.000 0.890 334 L HN 0.202 nan 8.230 nan 0.000 0.431 335 I N -0.354 120.299 120.570 0.139 0.000 2.118 335 I HA -0.383 3.787 4.170 -0.000 0.000 0.241 335 I C 2.495 178.768 176.117 0.259 0.000 1.070 335 I CA 1.561 63.013 61.300 0.254 0.000 1.327 335 I CB -0.364 37.760 38.000 0.207 0.000 1.034 335 I HN 0.245 nan 8.210 nan 0.000 0.405 336 L N 0.005 121.322 121.223 0.156 0.000 2.079 336 L HA -0.238 4.102 4.340 -0.000 0.000 0.210 336 L C 2.654 179.596 176.870 0.119 0.000 1.081 336 L CA 1.655 56.563 54.840 0.112 0.000 0.752 336 L CB -0.843 41.273 42.059 0.095 0.000 0.896 336 L HN 0.321 nan 8.230 nan 0.000 0.433 337 T N -1.380 113.274 114.554 0.166 0.000 2.708 337 T HA -0.253 4.096 4.350 -0.000 0.000 0.266 337 T C 1.297 176.093 174.700 0.159 0.000 1.037 337 T CA 1.584 63.792 62.100 0.180 0.000 1.146 337 T CB -0.410 68.576 68.868 0.196 0.000 0.865 337 T HN 0.534 nan 8.240 nan 0.000 0.435 338 W N 2.272 123.560 121.300 -0.019 0.000 2.318 338 W HA -0.148 4.512 4.660 -0.000 0.000 0.313 338 W C 1.670 178.093 176.519 -0.161 0.000 1.221 338 W CA 0.707 58.005 57.345 -0.079 0.000 1.266 338 W CB -0.691 28.723 29.460 -0.077 0.000 1.150 338 W HN 0.072 nan 8.180 nan 0.000 0.496 339 I N 1.325 121.674 120.570 -0.368 0.000 2.264 339 I HA -0.210 3.959 4.170 -0.000 0.000 0.248 339 I C 2.543 178.385 176.117 -0.458 0.000 1.111 339 I CA 1.911 62.812 61.300 -0.666 0.000 1.382 339 I CB -2.093 35.694 38.000 -0.354 0.000 1.060 339 I HN 0.259 nan 8.210 nan 0.000 0.418 340 G N 0.623 109.297 108.800 -0.210 0.000 2.448 340 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.219 340 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.219 340 G C 1.612 176.475 174.900 -0.062 0.000 1.127 340 G CA 1.069 46.111 45.100 -0.096 0.000 0.766 340 G HN 0.559 nan 8.290 nan 0.000 0.552 341 S N -0.929 114.687 115.700 -0.140 0.000 2.593 341 S HA 0.252 4.722 4.470 -0.000 0.000 0.217 341 S C 0.806 175.249 174.600 -0.262 0.000 0.966 341 S CA -0.084 58.048 58.200 -0.114 0.000 0.914 341 S CB 0.229 63.401 63.200 -0.046 0.000 0.776 341 S HN 0.226 nan 8.310 nan 0.000 0.523 342 Q N 2.078 121.590 119.800 -0.479 0.000 2.248 342 Q HA 0.554 4.894 4.340 -0.000 0.000 0.263 342 Q C -2.663 173.133 176.000 -0.341 0.000 1.007 342 Q CA -2.394 53.033 55.803 -0.626 0.000 0.877 342 Q CB 0.915 28.717 28.738 -1.560 0.000 1.315 342 Q HN 0.209 nan 8.270 nan 0.000 0.454 343 P HA 0.121 nan 4.420 nan 0.000 0.274 343 P C -0.320 177.023 177.300 0.071 0.000 1.246 343 P CA -0.360 62.746 63.100 0.010 0.000 0.795 343 P CB 0.675 32.407 31.700 0.053 0.000 1.006 344 V N 1.949 121.891 119.914 0.048 0.000 2.229 344 V HA 0.131 4.250 4.120 -0.000 0.000 0.245 344 V C 0.529 176.653 176.094 0.051 0.000 1.243 344 V CA 0.709 63.023 62.300 0.023 0.000 1.176 344 V CB -1.727 30.086 31.823 -0.017 0.000 1.323 344 V HN 0.543 nan 8.190 nan 0.000 0.499 345 E N 0.783 121.029 120.200 0.078 0.000 2.372 345 E HA 0.350 4.700 4.350 -0.000 0.000 0.279 345 E C -0.925 175.655 176.600 -0.034 0.000 0.946 345 E CA -1.051 55.368 56.400 0.031 0.000 0.769 345 E CB 1.994 31.703 29.700 0.015 0.000 1.230 345 E HN 0.671 nan 8.360 nan 0.000 0.442 346 H N 3.153 122.154 119.070 -0.115 0.000 2.871 346 H HA 0.043 4.599 4.556 -0.000 0.000 0.355 346 H C -1.355 173.774 175.328 -0.332 0.000 1.092 346 H CA -0.612 55.345 56.048 -0.153 0.000 1.420 346 H CB 0.904 30.606 29.762 -0.100 0.000 1.400 346 H HN 0.295 nan 8.280 nan 0.000 0.604 347 P HA -0.122 nan 4.420 nan 0.000 0.224 347 P C 1.312 178.358 177.300 -0.424 0.000 1.157 347 P CA 1.002 63.435 63.100 -1.112 0.000 0.799 347 P CB 0.126 31.376 31.700 -0.750 0.000 0.809 348 F N 0.810 120.592 119.950 -0.279 0.000 2.063 348 F HA -0.273 4.254 4.527 -0.000 0.000 0.297 348 F C 2.546 178.225 175.800 -0.200 0.000 1.099 348 F CA 0.724 58.552 58.000 -0.286 0.000 1.220 348 F CB -1.146 37.658 39.000 -0.327 0.000 0.972 348 F HN -0.205 nan 8.300 nan 0.000 0.487 349 I N -0.378 120.222 120.570 0.050 0.000 2.151 349 I HA -0.314 3.856 4.170 -0.000 0.000 0.243 349 I C 2.406 178.534 176.117 0.017 0.000 1.080 349 I CA 1.320 62.632 61.300 0.020 0.000 1.339 349 I CB -0.479 37.540 38.000 0.032 0.000 1.039 349 I HN 0.155 nan 8.210 nan 0.000 0.409 350 I N 1.130 121.717 120.570 0.028 0.000 2.193 350 I HA -0.224 3.946 4.170 -0.000 0.000 0.240 350 I C 2.319 178.457 176.117 0.035 0.000 1.084 350 I CA 1.537 62.862 61.300 0.041 0.000 1.365 350 I CB -0.244 37.801 38.000 0.076 0.000 1.064 350 I HN 0.057 nan 8.210 nan 0.000 0.410 351 I N 0.455 121.045 120.570 0.034 0.000 2.248 351 I HA -0.293 3.877 4.170 -0.000 0.000 0.248 351 I C 2.514 178.667 176.117 0.059 0.000 1.107 351 I CA 1.468 62.814 61.300 0.077 0.000 1.373 351 I CB -1.419 36.666 38.000 0.142 0.000 1.055 351 I HN 0.393 nan 8.210 nan 0.000 0.418 352 G N 0.504 109.312 108.800 0.014 0.000 2.552 352 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.216 352 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.216 352 G C 1.493 176.400 174.900 0.011 0.000 1.240 352 G CA 0.686 45.777 45.100 -0.015 0.000 0.796 352 G HN 0.420 nan 8.290 nan 0.000 0.568 353 Q N -0.547 119.257 119.800 0.007 0.000 2.197 353 Q HA -0.112 4.228 4.340 -0.000 0.000 0.207 353 Q C 2.710 178.732 176.000 0.037 0.000 0.984 353 Q CA 1.269 57.079 55.803 0.012 0.000 0.869 353 Q CB -0.235 28.506 28.738 0.004 0.000 0.906 353 Q HN 0.351 nan 8.270 nan 0.000 0.426 354 M N 0.293 119.923 119.600 0.049 0.000 2.066 354 M HA -0.143 4.337 4.480 -0.000 0.000 0.259 354 M C 2.429 178.782 176.300 0.089 0.000 1.074 354 M CA 1.838 57.176 55.300 0.064 0.000 1.114 354 M CB -1.500 31.140 32.600 0.067 0.000 1.306 354 M HN 0.298 nan 8.290 nan 0.000 0.411 355 A N 0.284 123.163 122.820 0.100 0.000 1.903 355 A HA -0.213 4.107 4.320 -0.000 0.000 0.219 355 A C 2.499 180.191 177.584 0.180 0.000 1.191 355 A CA 2.731 54.845 52.037 0.129 0.000 0.638 355 A CB -1.133 17.940 19.000 0.122 0.000 0.823 355 A HN 0.568 nan 8.150 nan 0.000 0.451 356 S N -0.549 115.242 115.700 0.153 0.000 2.359 356 S HA -0.200 4.270 4.470 -0.000 0.000 0.222 356 S C 1.862 176.632 174.600 0.283 0.000 1.038 356 S CA 1.573 59.901 58.200 0.214 0.000 1.051 356 S CB -0.605 62.650 63.200 0.090 0.000 0.944 356 S HN 0.457 nan 8.310 nan 0.000 0.433 357 L N 2.257 123.569 121.223 0.148 0.000 1.990 357 L HA -0.190 4.150 4.340 -0.000 0.000 0.213 357 L C 2.635 179.612 176.870 0.180 0.000 1.072 357 L CA 2.420 57.334 54.840 0.123 0.000 0.755 357 L CB -1.216 40.881 42.059 0.065 0.000 0.889 357 L HN 0.493 nan 8.230 nan 0.000 0.432 358 S N -1.812 113.981 115.700 0.156 0.000 2.356 358 S HA -0.321 4.149 4.470 -0.000 0.000 0.223 358 S C 2.095 176.781 174.600 0.142 0.000 1.032 358 S CA 1.273 59.542 58.200 0.115 0.000 1.005 358 S CB -1.381 61.868 63.200 0.081 0.000 0.867 358 S HN 0.532 nan 8.310 nan 0.000 0.449 359 Y N 2.149 122.516 120.300 0.113 0.000 2.002 359 Y HA -0.281 4.269 4.550 -0.000 0.000 0.268 359 Y C 1.942 177.872 175.900 0.050 0.000 1.177 359 Y CA 2.036 60.180 58.100 0.073 0.000 1.111 359 Y CB -1.051 37.494 38.460 0.142 0.000 0.952 359 Y HN 0.266 nan 8.280 nan 0.000 0.491 360 F N -0.233 119.731 119.950 0.024 0.000 2.216 360 F HA -0.195 4.332 4.527 -0.000 0.000 0.300 360 F C 2.493 178.242 175.800 -0.086 0.000 1.085 360 F CA 1.838 59.803 58.000 -0.058 0.000 1.326 360 F CB -1.265 37.783 39.000 0.079 0.000 1.027 360 F HN 0.033 nan 8.300 nan 0.000 0.497 361 T N 0.740 115.368 114.554 0.124 0.000 2.674 361 T HA -0.163 4.187 4.350 -0.000 0.000 0.265 361 T C 2.228 176.888 174.700 -0.067 0.000 1.039 361 T CA 1.508 63.628 62.100 0.034 0.000 1.150 361 T CB -0.530 68.356 68.868 0.030 0.000 0.864 361 T HN 0.158 nan 8.240 nan 0.000 0.427 362 I N 0.839 121.320 120.570 -0.147 0.000 2.151 362 I HA -0.187 3.983 4.170 -0.000 0.000 0.243 362 I C 2.279 178.223 176.117 -0.288 0.000 1.080 362 I CA 1.487 62.607 61.300 -0.301 0.000 1.339 362 I CB -0.423 37.346 38.000 -0.386 0.000 1.039 362 I HN 0.216 nan 8.210 nan 0.000 0.409 363 L N -0.285 120.805 121.223 -0.222 0.000 2.179 363 L HA -0.106 4.234 4.340 -0.000 0.000 0.208 363 L C 2.295 179.157 176.870 -0.013 0.000 1.096 363 L CA 0.847 55.648 54.840 -0.064 0.000 0.779 363 L CB -0.188 41.702 42.059 -0.281 0.000 0.922 363 L HN 0.274 nan 8.230 nan 0.000 0.443 364 L N -1.444 119.762 121.223 -0.029 0.000 2.357 364 L HA 0.031 4.371 4.340 -0.000 0.000 0.211 364 L C 1.971 178.861 176.870 0.032 0.000 1.075 364 L CA 0.591 55.444 54.840 0.023 0.000 0.830 364 L CB 0.256 42.352 42.059 0.063 0.000 0.996 364 L HN 0.153 nan 8.230 nan 0.000 0.467 365 I N -1.162 119.417 120.570 0.015 0.000 3.345 365 I HA -0.045 4.125 4.170 -0.000 0.000 0.258 365 I C 2.046 178.164 176.117 0.002 0.000 1.134 365 I CA 0.354 61.662 61.300 0.013 0.000 1.457 365 I CB 0.078 38.084 38.000 0.010 0.000 1.425 365 I HN -0.048 nan 8.210 nan 0.000 0.461 366 L N -0.119 121.078 121.223 -0.043 0.000 1.943 366 L HA -0.226 4.114 4.340 -0.000 0.000 0.215 366 L C 2.534 179.402 176.870 -0.004 0.000 1.074 366 L CA 1.908 56.705 54.840 -0.072 0.000 0.759 366 L CB -0.879 41.070 42.059 -0.182 0.000 0.888 366 L HN 0.149 nan 8.230 nan 0.000 0.433 367 F N 0.556 120.470 119.950 -0.059 0.000 2.045 367 F HA -0.268 4.259 4.527 -0.000 0.000 0.297 367 F C 0.101 175.857 175.800 -0.073 0.000 1.114 367 F CA 1.885 59.843 58.000 -0.071 0.000 1.207 367 F CB -1.592 37.350 39.000 -0.096 0.000 0.964 367 F HN 0.196 nan 8.300 nan 0.000 0.486 368 P HA -0.142 nan 4.420 nan 0.000 0.216 368 P C 1.353 178.672 177.300 0.032 0.000 1.150 368 P CA 2.044 65.174 63.100 0.051 0.000 0.837 368 P CB -0.326 31.398 31.700 0.040 0.000 0.786 369 T N 1.027 115.604 114.554 0.038 0.000 2.668 369 T HA -0.073 4.277 4.350 -0.000 0.000 0.262 369 T C 1.961 176.675 174.700 0.023 0.000 1.045 369 T CA 1.068 63.182 62.100 0.022 0.000 1.152 369 T CB -0.684 68.192 68.868 0.015 0.000 0.864 369 T HN -0.065 nan 8.240 nan 0.000 0.419 370 I N 1.806 122.397 120.570 0.035 0.000 2.248 370 I HA -0.161 4.009 4.170 -0.000 0.000 0.248 370 I C 2.811 178.947 176.117 0.032 0.000 1.107 370 I CA 1.522 62.845 61.300 0.038 0.000 1.373 370 I CB -1.869 36.166 38.000 0.058 0.000 1.055 370 I HN 0.346 nan 8.210 nan 0.000 0.418 371 G N -0.028 108.787 108.800 0.025 0.000 2.418 371 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.217 371 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.217 371 G C 1.702 176.582 174.900 -0.032 0.000 1.158 371 G CA 1.266 46.348 45.100 -0.031 0.000 0.771 371 G HN 0.315 nan 8.290 nan 0.000 0.545 372 T N 1.141 115.685 114.554 -0.017 0.000 2.643 372 T HA -0.157 4.193 4.350 -0.000 0.000 0.264 372 T C 2.282 176.987 174.700 0.009 0.000 1.045 372 T CA 1.353 63.449 62.100 -0.007 0.000 1.155 372 T CB -0.394 68.474 68.868 0.001 0.000 0.863 372 T HN 0.160 nan 8.240 nan 0.000 0.420 373 L N 1.290 122.520 121.223 0.012 0.000 2.051 373 L HA -0.156 4.184 4.340 -0.000 0.000 0.214 373 L C 2.286 179.168 176.870 0.021 0.000 1.076 373 L CA 1.984 56.834 54.840 0.017 0.000 0.758 373 L CB -0.575 41.494 42.059 0.016 0.000 0.890 373 L HN 0.301 nan 8.230 nan 0.000 0.433 374 E N -0.656 119.556 120.200 0.020 0.000 2.077 374 E HA -0.218 4.132 4.350 -0.000 0.000 0.193 374 E C 1.920 178.545 176.600 0.042 0.000 0.989 374 E CA 1.214 57.630 56.400 0.026 0.000 0.800 374 E CB -0.076 29.635 29.700 0.019 0.000 0.746 374 E HN 0.593 nan 8.360 nan 0.000 0.452 375 N N 0.738 119.465 118.700 0.045 0.000 2.166 375 N HA -0.158 4.582 4.740 -0.000 0.000 0.186 375 N C 1.453 177.026 175.510 0.105 0.000 1.019 375 N CA 1.049 54.156 53.050 0.095 0.000 0.856 375 N CB -0.082 38.447 38.487 0.069 0.000 0.993 375 N HN 0.167 nan 8.380 nan 0.000 0.426 376 K N 0.404 120.840 120.400 0.061 0.000 2.148 376 K HA 0.057 4.377 4.320 -0.000 0.000 0.204 376 K C 1.906 178.520 176.600 0.023 0.000 1.050 376 K CA 0.784 57.098 56.287 0.044 0.000 0.942 376 K CB -0.093 32.425 32.500 0.029 0.000 0.724 376 K HN 0.152 nan 8.250 nan 0.000 0.446 377 M N 0.529 120.142 119.600 0.021 0.000 2.549 377 M HA -0.075 4.405 4.480 -0.000 0.000 0.260 377 M C 1.451 177.742 176.300 -0.015 0.000 1.076 377 M CA 1.087 56.390 55.300 0.004 0.000 1.090 377 M CB 0.113 32.720 32.600 0.011 0.000 1.418 377 M HN 0.092 nan 8.290 nan 0.000 0.486 378 L N -0.813 120.404 121.223 -0.009 0.000 2.567 378 L HA 0.109 4.449 4.340 -0.000 0.000 0.225 378 L C 0.368 177.120 176.870 -0.198 0.000 1.119 378 L CA -0.163 54.631 54.840 -0.076 0.000 0.871 378 L CB -0.098 41.969 42.059 0.013 0.000 1.036 378 L HN 0.369 nan 8.230 nan 0.000 0.459 379 N N -0.493 118.145 118.700 -0.104 0.000 2.806 379 N HA -0.242 4.498 4.740 -0.000 0.000 0.248 379 N C -0.845 174.587 175.510 -0.131 0.000 1.081 379 N CA 0.539 53.523 53.050 -0.110 0.000 0.680 379 N CB -1.399 37.001 38.487 -0.146 0.000 0.941 379 N HN 0.364 nan 8.380 nan 0.000 0.554 380 Y N 0.000 120.297 120.300 -0.005 0.000 2.660 380 Y HA 0.000 4.550 4.550 -0.000 0.000 0.201 380 Y CA 0.000 58.098 58.100 -0.003 0.000 1.940 380 Y CB 0.000 38.458 38.460 -0.003 0.000 1.050 380 Y HN 0.000 nan 8.280 nan 0.000 0.758