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 1mg7_1_B DATA FIRST_RESID 14 DATA SEQUENCE ERRVKILGID RSENSPVLTY MXXXXXXXXX XSKLAAAPHT VHMMDSGFLA DATA SEQUENCE INRQCLVKGK AILAREPKSS NEHMIDDLPK HAHDQHTLSI LRDFIDQLKL DATA SEQUENCE HNVYEINFYD PLDSSGKLAV IPMLIALWKC MLASETDICD QEVLKSIMNS DATA SEQUENCE VIAKFELQIP CKNAVIDATL SGSREEVHII AEXXXXXNSN GTTEHFNKKH DATA SEQUENCE DLVFVKTDLH PEDFTPQMFP SQAKAKLLRD AFNNEEDEDT FPDILVPAYM DATA SEQUENCE TAHSKNRVRQ EDYTCLEVEF DSQVALEKLM NEHEQVEGFE VQQGGILVAL DATA SEQUENCE KKDSFFDDEL IEKIAIAIAT ESRQSVSSVS FDLLKLGPGA SLVTLANSRR DATA SEQUENCE FEPECRVVLQ IEVKPVS 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 14 E HA 0.000 nan 4.350 nan 0.000 0.291 14 E C 0.000 176.601 176.600 0.002 0.000 1.382 14 E CA 0.000 56.401 56.400 0.001 0.000 0.976 14 E CB 0.000 29.701 29.700 0.001 0.000 0.812 15 R N 0.172 120.673 120.500 0.003 0.000 2.686 15 R HA 0.526 4.866 4.340 -0.000 0.000 0.283 15 R C -0.861 175.442 176.300 0.004 0.000 0.978 15 R CA -0.982 55.120 56.100 0.003 0.000 0.897 15 R CB 2.573 32.876 30.300 0.004 0.000 1.192 15 R HN 0.514 nan 8.270 nan 0.000 0.457 16 R N 2.163 122.666 120.500 0.005 0.000 2.387 16 R HA 0.406 4.746 4.340 -0.000 0.000 0.314 16 R C -1.206 175.099 176.300 0.007 0.000 0.958 16 R CA -0.495 55.608 56.100 0.006 0.000 0.846 16 R CB 1.514 31.817 30.300 0.005 0.000 1.147 16 R HN 0.325 nan 8.270 nan 0.000 0.447 17 V N 5.231 125.151 119.914 0.009 0.000 2.370 17 V HA 0.371 4.491 4.120 -0.000 0.000 0.283 17 V C -0.313 175.787 176.094 0.011 0.000 1.023 17 V CA -0.554 61.753 62.300 0.011 0.000 0.857 17 V CB 1.459 33.290 31.823 0.013 0.000 0.985 17 V HN 0.742 nan 8.190 nan 0.000 0.443 18 K N 4.957 125.364 120.400 0.012 0.000 2.324 18 K HA 0.602 4.922 4.320 -0.000 0.000 0.253 18 K C -1.210 175.398 176.600 0.013 0.000 0.932 18 K CA -0.856 55.437 56.287 0.010 0.000 0.799 18 K CB 2.389 34.894 32.500 0.009 0.000 1.154 18 K HN 0.393 nan 8.250 nan 0.000 0.425 19 I N 4.879 125.455 120.570 0.010 0.000 2.312 19 I HA 0.094 4.264 4.170 -0.000 0.000 0.291 19 I C 0.858 176.981 176.117 0.009 0.000 1.031 19 I CA -0.002 61.305 61.300 0.011 0.000 1.293 19 I CB 0.653 38.655 38.000 0.003 0.000 1.403 19 I HN 0.628 nan 8.210 nan 0.000 0.484 20 L N 5.599 126.830 121.223 0.014 0.000 2.640 20 L HA 0.405 4.745 4.340 -0.000 0.000 0.230 20 L C 0.784 177.662 176.870 0.013 0.000 1.123 20 L CA -0.076 54.771 54.840 0.013 0.000 0.900 20 L CB 0.278 42.347 42.059 0.016 0.000 1.146 20 L HN 0.782 nan 8.230 nan 0.000 0.484 21 G N 0.536 109.344 108.800 0.013 0.000 2.473 21 G HA2 0.461 4.421 3.960 -0.000 0.000 0.298 21 G HA3 0.461 4.421 3.960 -0.000 0.000 0.298 21 G C -1.539 173.367 174.900 0.010 0.000 1.575 21 G CA -0.495 44.612 45.100 0.012 0.000 0.846 21 G HN -0.061 nan 8.290 nan 0.000 0.585 22 I N 1.917 122.486 120.570 -0.000 0.000 2.503 22 I HA 0.288 4.458 4.170 -0.000 0.000 0.282 22 I C -1.366 174.747 176.117 -0.007 0.000 1.059 22 I CA -0.711 60.579 61.300 -0.016 0.000 1.081 22 I CB 2.073 40.047 38.000 -0.044 0.000 1.210 22 I HN 0.249 nan 8.210 nan 0.000 0.450 23 D N 7.155 127.561 120.400 0.010 0.000 2.453 23 D HA 0.361 5.000 4.640 -0.000 0.000 0.238 23 D C -0.192 176.127 176.300 0.033 0.000 1.088 23 D CA -0.480 53.534 54.000 0.024 0.000 0.854 23 D CB 1.907 42.729 40.800 0.037 0.000 1.076 23 D HN 0.319 nan 8.370 nan 0.000 0.533 24 R N 0.757 121.273 120.500 0.027 0.000 2.536 24 R HA 0.620 4.960 4.340 -0.000 0.000 0.279 24 R C 0.098 176.448 176.300 0.084 0.000 1.001 24 R CA -0.543 55.588 56.100 0.051 0.000 1.027 24 R CB 1.563 31.886 30.300 0.039 0.000 1.096 24 R HN 0.485 nan 8.270 nan 0.000 0.502 25 S N 0.674 116.449 115.700 0.124 0.000 2.550 25 S HA 0.444 4.914 4.470 -0.000 0.000 0.270 25 S C -1.204 173.486 174.600 0.150 0.000 1.145 25 S CA -1.115 57.154 58.200 0.116 0.000 0.852 25 S CB 2.478 65.735 63.200 0.094 0.000 1.119 25 S HN 0.582 nan 8.310 nan 0.000 0.465 26 E N 0.800 121.073 120.200 0.122 0.000 2.278 26 E HA 0.505 4.855 4.350 -0.000 0.000 0.272 26 E C -1.593 175.054 176.600 0.080 0.000 0.890 26 E CA -0.703 55.772 56.400 0.125 0.000 0.770 26 E CB 1.966 31.748 29.700 0.138 0.000 1.212 26 E HN 0.727 nan 8.360 nan 0.000 0.415 27 N N 0.155 118.896 118.700 0.069 0.000 2.329 27 N HA 0.373 5.113 4.740 -0.000 0.000 0.282 27 N C -1.429 174.102 175.510 0.034 0.000 1.198 27 N CA -0.773 52.300 53.050 0.038 0.000 0.790 27 N CB 2.069 40.572 38.487 0.026 0.000 1.579 27 N HN 0.092 nan 8.380 nan 0.000 0.475 28 S N 1.551 117.257 115.700 0.009 0.000 2.150 28 S HA 0.238 4.708 4.470 -0.000 0.000 0.171 28 S C -1.717 172.857 174.600 -0.043 0.000 1.620 28 S CA -0.961 57.243 58.200 0.008 0.000 1.190 28 S CB 0.725 63.938 63.200 0.021 0.000 1.102 28 S HN 0.538 nan 8.310 nan 0.000 0.464 29 P HA -0.134 nan 4.420 nan 0.000 0.217 29 P C 1.408 178.642 177.300 -0.111 0.000 1.148 29 P CA 1.013 64.063 63.100 -0.083 0.000 0.828 29 P CB 0.028 31.739 31.700 0.018 0.000 0.783 30 V N 0.454 120.294 119.914 -0.123 0.000 2.407 30 V HA -0.217 3.903 4.120 -0.000 0.000 0.248 30 V C 2.809 178.850 176.094 -0.088 0.000 1.055 30 V CA 1.462 63.674 62.300 -0.147 0.000 1.049 30 V CB -1.201 30.385 31.823 -0.395 0.000 0.662 30 V HN 0.044 nan 8.190 nan 0.000 0.455 31 L N -0.297 120.874 121.223 -0.086 0.000 2.131 31 L HA -0.156 4.184 4.340 -0.000 0.000 0.210 31 L C 2.557 179.341 176.870 -0.144 0.000 1.092 31 L CA 1.698 56.494 54.840 -0.074 0.000 0.759 31 L CB -1.087 40.943 42.059 -0.049 0.000 0.903 31 L HN 0.353 nan 8.230 nan 0.000 0.435 32 T N -1.274 113.114 114.554 -0.277 0.000 2.777 32 T HA -0.163 4.187 4.350 -0.000 0.000 0.266 32 T C 1.433 175.834 174.700 -0.498 0.000 1.040 32 T CA 1.338 63.167 62.100 -0.450 0.000 1.141 32 T CB -0.243 68.191 68.868 -0.724 0.000 0.868 32 T HN 0.254 nan 8.240 nan 0.000 0.444 33 Y N 1.196 121.378 120.300 -0.197 0.000 2.490 33 Y HA 0.384 4.934 4.550 -0.000 0.000 0.281 33 Y C 1.078 176.914 175.900 -0.106 0.000 1.174 33 Y CA -0.610 57.355 58.100 -0.224 0.000 1.295 33 Y CB -0.720 37.530 38.460 -0.350 0.000 1.062 33 Y HN 0.346 nan 8.280 nan 0.000 0.522 46 K N 0.740 121.148 120.400 0.013 0.000 2.318 46 K HA 0.723 5.043 4.320 -0.000 0.000 0.249 46 K C -1.520 175.061 176.600 -0.031 0.000 0.942 46 K CA -0.691 55.588 56.287 -0.014 0.000 0.808 46 K CB 2.083 34.561 32.500 -0.037 0.000 1.189 46 K HN 0.708 nan 8.250 nan 0.000 0.428 47 L N 1.265 122.475 121.223 -0.022 0.000 2.362 47 L HA 0.700 5.040 4.340 -0.000 0.000 0.275 47 L C -1.217 175.635 176.870 -0.031 0.000 0.998 47 L CA -0.250 54.577 54.840 -0.022 0.000 0.820 47 L CB 1.723 43.794 42.059 0.021 0.000 1.270 47 L HN 0.782 nan 8.230 nan 0.000 0.415 48 A N 3.754 126.538 122.820 -0.059 0.000 2.469 48 A HA 1.019 5.339 4.320 -0.000 0.000 0.299 48 A C -1.292 176.273 177.584 -0.032 0.000 1.098 48 A CA -0.117 51.894 52.037 -0.043 0.000 0.737 48 A CB 1.697 20.648 19.000 -0.083 0.000 1.312 48 A HN 1.152 nan 8.150 nan 0.000 0.414 49 A N -0.142 122.691 122.820 0.021 0.000 2.435 49 A HA 0.926 5.246 4.320 -0.000 0.000 0.304 49 A C -0.402 177.209 177.584 0.044 0.000 1.064 49 A CA -0.035 52.016 52.037 0.024 0.000 0.727 49 A CB 1.544 20.588 19.000 0.074 0.000 1.284 49 A HN 2.484 nan 8.150 nan 0.000 0.415 50 A N 2.724 125.540 122.820 -0.006 0.000 2.381 50 A HA 0.848 5.168 4.320 -0.000 0.000 0.299 50 A C -3.097 174.438 177.584 -0.082 0.000 1.049 50 A CA -1.610 50.412 52.037 -0.024 0.000 0.715 50 A CB 1.408 20.375 19.000 -0.055 0.000 1.222 50 A HN 0.571 nan 8.150 nan 0.000 0.428 51 P HA 0.175 nan 4.420 nan 0.000 0.274 51 P C -0.647 176.591 177.300 -0.104 0.000 1.231 51 P CA 0.179 63.266 63.100 -0.023 0.000 0.790 51 P CB 0.639 32.373 31.700 0.057 0.000 0.951 52 H N 0.458 119.541 119.070 0.021 0.000 2.544 52 H HA 0.374 4.930 4.556 -0.000 0.000 0.365 52 H C 0.647 175.989 175.328 0.023 0.000 1.268 52 H CA 0.533 56.580 56.048 -0.001 0.000 1.400 52 H CB 1.122 30.868 29.762 -0.026 0.000 1.538 52 H HN 0.478 nan 8.280 nan 0.000 0.597 53 T N -1.684 112.983 114.554 0.188 0.000 2.901 53 T HA 0.611 4.961 4.350 -0.000 0.000 0.293 53 T C -0.261 174.522 174.700 0.138 0.000 1.084 53 T CA -0.849 61.353 62.100 0.171 0.000 1.008 53 T CB 1.244 70.255 68.868 0.238 0.000 1.170 53 T HN 0.449 nan 8.240 nan 0.000 0.509 54 V N -1.088 118.896 119.914 0.117 0.000 3.040 54 V HA 0.815 4.934 4.120 -0.000 0.000 0.312 54 V C -0.742 175.334 176.094 -0.030 0.000 1.115 54 V CA -1.176 61.121 62.300 -0.006 0.000 0.998 54 V CB 1.754 33.569 31.823 -0.013 0.000 1.042 54 V HN 1.348 nan 8.190 nan 0.000 0.433 55 H N 1.703 120.721 119.070 -0.087 0.000 2.679 55 H HA 0.812 5.368 4.556 -0.000 0.000 0.367 55 H C -1.399 173.767 175.328 -0.269 0.000 1.162 55 H CA -1.384 54.411 56.048 -0.421 0.000 1.181 55 H CB 2.319 31.633 29.762 -0.746 0.000 1.693 55 H HN 0.668 nan 8.280 nan 0.000 0.538 56 M N 2.363 121.839 119.600 -0.208 0.000 2.395 56 M HA 0.246 4.726 4.480 -0.000 0.000 0.307 56 M C 0.118 176.243 176.300 -0.293 0.000 1.091 56 M CA -0.624 54.568 55.300 -0.179 0.000 0.919 56 M CB 2.525 35.059 32.600 -0.110 0.000 1.662 56 M HN 0.728 nan 8.290 nan 0.000 0.440 57 M N 0.932 120.220 119.600 -0.520 0.000 2.612 57 M HA -0.290 4.190 4.480 -0.000 0.000 0.194 57 M C -0.542 175.433 176.300 -0.542 0.000 0.530 57 M CA 0.590 55.328 55.300 -0.936 0.000 0.548 57 M CB -1.859 30.482 32.600 -0.433 0.000 2.013 57 M HN 0.825 nan 8.290 nan 0.000 0.711 58 D N -1.595 118.602 120.400 -0.338 0.000 3.059 58 D HA -0.184 4.456 4.640 -0.000 0.000 0.222 58 D C 0.605 176.810 176.300 -0.157 0.000 1.185 58 D CA 1.685 55.578 54.000 -0.178 0.000 0.904 58 D CB -1.118 39.695 40.800 0.021 0.000 1.122 58 D HN 0.720 nan 8.370 nan 0.000 0.410 59 S N -1.546 114.035 115.700 -0.200 0.000 2.787 59 S HA 0.436 4.906 4.470 -0.000 0.000 0.255 59 S C 0.665 175.232 174.600 -0.054 0.000 1.051 59 S CA -0.041 58.119 58.200 -0.066 0.000 1.124 59 S CB 2.139 65.313 63.200 -0.043 0.000 1.104 59 S HN 0.449 nan 8.310 nan 0.000 0.623 60 G N 0.917 109.555 108.800 -0.270 0.000 2.620 60 G HA2 0.690 4.650 3.960 -0.000 0.000 0.301 60 G HA3 0.690 4.650 3.960 -0.000 0.000 0.301 60 G C -1.573 173.055 174.900 -0.453 0.000 1.347 60 G CA -0.501 44.499 45.100 -0.166 0.000 0.971 60 G HN 0.111 nan 8.290 nan 0.000 0.488 61 F N 0.319 120.289 119.950 0.034 0.000 2.540 61 F HA 0.603 5.130 4.527 -0.000 0.000 0.317 61 F C 0.000 175.841 175.800 0.068 0.000 1.104 61 F CA -0.825 57.218 58.000 0.072 0.000 0.913 61 F CB 2.492 41.538 39.000 0.076 0.000 1.170 61 F HN 0.109 nan 8.300 nan 0.000 0.450 62 L N 3.064 124.396 121.223 0.181 0.000 2.333 62 L HA 0.728 5.068 4.340 -0.000 0.000 0.280 62 L C -0.131 176.833 176.870 0.157 0.000 1.004 62 L CA -1.039 53.882 54.840 0.135 0.000 0.820 62 L CB 1.773 43.874 42.059 0.070 0.000 1.247 62 L HN 0.773 nan 8.230 nan 0.000 0.416 63 A N 5.153 128.066 122.820 0.154 0.000 2.409 63 A HA 0.654 4.974 4.320 -0.000 0.000 0.262 63 A C -0.180 177.474 177.584 0.117 0.000 1.113 63 A CA -0.282 51.827 52.037 0.119 0.000 0.790 63 A CB 0.132 19.187 19.000 0.091 0.000 1.046 63 A HN 0.717 nan 8.150 nan 0.000 0.496 64 I N -0.033 120.607 120.570 0.117 0.000 3.237 64 I HA 0.495 4.665 4.170 -0.000 0.000 0.308 64 I C 0.371 176.563 176.117 0.125 0.000 1.093 64 I CA -1.292 60.076 61.300 0.114 0.000 1.001 64 I CB 1.692 39.751 38.000 0.098 0.000 1.245 64 I HN 0.578 nan 8.210 nan 0.000 0.485 65 N N 2.295 121.066 118.700 0.118 0.000 3.111 65 N HA 0.146 4.886 4.740 -0.000 0.000 0.302 65 N C -0.788 174.801 175.510 0.132 0.000 1.317 65 N CA -0.214 52.921 53.050 0.142 0.000 1.151 65 N CB -0.245 38.319 38.487 0.129 0.000 1.456 65 N HN 0.498 nan 8.380 nan 0.000 0.547 66 R N 0.914 121.500 120.500 0.144 0.000 2.604 66 R HA 0.366 4.706 4.340 -0.000 0.000 0.281 66 R C -0.506 175.922 176.300 0.213 0.000 1.020 66 R CA -0.419 55.776 56.100 0.159 0.000 0.899 66 R CB 1.977 32.353 30.300 0.127 0.000 1.205 66 R HN 0.551 nan 8.270 nan 0.000 0.450 67 Q N 0.588 120.497 119.800 0.182 0.000 2.435 67 Q HA 0.283 4.623 4.340 -0.000 0.000 0.282 67 Q C -1.009 174.980 176.000 -0.018 0.000 1.020 67 Q CA -0.693 55.126 55.803 0.026 0.000 0.820 67 Q CB 1.618 30.361 28.738 0.008 0.000 1.436 67 Q HN 0.584 nan 8.270 nan 0.000 0.395 68 C N 2.711 121.896 119.300 -0.192 0.000 2.452 68 C HA 0.721 5.181 4.460 -0.000 0.000 0.379 68 C C -0.270 174.683 174.990 -0.062 0.000 1.275 68 C CA -0.277 58.690 59.018 -0.086 0.000 2.056 68 C CB -0.875 26.777 27.740 -0.147 0.000 2.506 68 C HN 0.676 nan 8.230 nan 0.000 0.560 69 L N 6.123 127.326 121.223 -0.034 0.000 2.346 69 L HA 0.735 5.075 4.340 -0.000 0.000 0.274 69 L C -0.582 176.193 176.870 -0.159 0.000 1.007 69 L CA -0.608 54.193 54.840 -0.065 0.000 0.818 69 L CB 1.831 43.871 42.059 -0.031 0.000 1.284 69 L HN 0.369 nan 8.230 nan 0.000 0.424 70 V N 2.630 122.409 119.914 -0.225 0.000 2.531 70 V HA 0.394 4.514 4.120 -0.000 0.000 0.301 70 V C -0.417 175.493 176.094 -0.307 0.000 1.034 70 V CA -0.760 61.267 62.300 -0.455 0.000 0.865 70 V CB 2.082 33.581 31.823 -0.541 0.000 0.995 70 V HN 0.643 nan 8.190 nan 0.000 0.424 71 K N 3.038 123.240 120.400 -0.330 0.000 2.274 71 K HA 0.761 5.081 4.320 -0.000 0.000 0.262 71 K C -0.177 176.313 176.600 -0.184 0.000 0.961 71 K CA -0.359 55.838 56.287 -0.151 0.000 0.833 71 K CB 1.767 34.272 32.500 0.010 0.000 1.102 71 K HN 0.900 nan 8.250 nan 0.000 0.436 72 G N 3.241 111.973 108.800 -0.114 0.000 2.566 72 G HA2 0.389 4.349 3.960 -0.000 0.000 0.311 72 G HA3 0.389 4.349 3.960 -0.000 0.000 0.311 72 G C -1.678 173.275 174.900 0.089 0.000 1.322 72 G CA -0.544 44.522 45.100 -0.058 0.000 0.969 72 G HN 0.521 nan 8.290 nan 0.000 0.490 73 K N 1.288 121.799 120.400 0.185 0.000 2.507 73 K HA 0.644 4.964 4.320 -0.000 0.000 0.251 73 K C -0.256 176.431 176.600 0.145 0.000 0.943 73 K CA -0.748 55.633 56.287 0.157 0.000 0.794 73 K CB 1.947 34.492 32.500 0.075 0.000 1.188 73 K HN 0.632 nan 8.250 nan 0.000 0.428 74 A N 5.255 128.061 122.820 -0.022 0.000 2.404 74 A HA 0.251 4.571 4.320 -0.000 0.000 0.273 74 A C 0.907 178.385 177.584 -0.177 0.000 1.144 74 A CA -0.429 51.384 52.037 -0.373 0.000 0.806 74 A CB -0.507 18.246 19.000 -0.411 0.000 1.080 74 A HN 0.873 nan 8.150 nan 0.000 0.509 75 I N -0.048 120.426 120.570 -0.160 0.000 3.854 75 I HA 0.407 4.577 4.170 -0.000 0.000 0.312 75 I C -0.347 175.721 176.117 -0.083 0.000 1.273 75 I CA 0.238 61.492 61.300 -0.077 0.000 1.298 75 I CB -0.027 37.956 38.000 -0.028 0.000 1.071 75 I HN 0.361 nan 8.210 nan 0.000 0.428 76 L N 1.898 123.046 121.223 -0.124 0.000 2.505 76 L HA 0.537 4.877 4.340 -0.000 0.000 0.266 76 L C -0.222 176.581 176.870 -0.112 0.000 0.954 76 L CA -0.658 54.126 54.840 -0.093 0.000 0.852 76 L CB 2.157 44.174 42.059 -0.070 0.000 1.282 76 L HN 0.035 nan 8.230 nan 0.000 0.403 77 A N 4.264 127.037 122.820 -0.079 0.000 3.135 77 A HA 0.473 4.793 4.320 -0.000 0.000 0.253 77 A C 0.220 177.785 177.584 -0.033 0.000 1.638 77 A CA -0.150 51.849 52.037 -0.063 0.000 1.295 77 A CB -0.605 18.367 19.000 -0.046 0.000 1.106 77 A HN 0.770 nan 8.150 nan 0.000 0.648 78 R N -1.087 119.397 120.500 -0.027 0.000 2.734 78 R HA 0.563 4.903 4.340 -0.000 0.000 0.271 78 R C -0.826 175.488 176.300 0.023 0.000 1.021 78 R CA -0.903 55.195 56.100 -0.002 0.000 0.893 78 R CB 0.514 30.806 30.300 -0.013 0.000 1.244 78 R HN 0.056 nan 8.270 nan 0.000 0.464 79 E N 2.116 122.344 120.200 0.047 0.000 2.480 79 E HA 0.141 4.490 4.350 -0.000 0.000 0.258 79 E C -2.094 174.526 176.600 0.034 0.000 0.984 79 E CA -1.253 55.195 56.400 0.079 0.000 0.930 79 E CB 0.624 30.373 29.700 0.082 0.000 0.936 79 E HN 0.370 nan 8.360 nan 0.000 0.466 80 P HA 0.045 nan 4.420 nan 0.000 0.271 80 P C -0.205 177.078 177.300 -0.028 0.000 1.216 80 P CA -0.067 63.004 63.100 -0.047 0.000 0.776 80 P CB 0.743 32.400 31.700 -0.071 0.000 0.881 81 K N 0.739 121.108 120.400 -0.051 0.000 2.148 81 K HA 0.012 4.332 4.320 -0.000 0.000 0.204 81 K C 0.779 177.370 176.600 -0.015 0.000 1.050 81 K CA 1.108 57.379 56.287 -0.026 0.000 0.942 81 K CB -0.045 32.438 32.500 -0.030 0.000 0.724 81 K HN 0.683 nan 8.250 nan 0.000 0.446 82 S N -1.898 113.783 115.700 -0.032 0.000 2.643 82 S HA 0.053 4.522 4.470 -0.000 0.000 0.266 82 S C 0.536 175.136 174.600 -0.001 0.000 1.130 82 S CA -0.372 57.828 58.200 -0.000 0.000 0.817 82 S CB 1.086 64.291 63.200 0.007 0.000 1.107 82 S HN 0.055 nan 8.310 nan 0.000 0.471 83 S N 0.788 116.532 115.700 0.073 0.000 2.507 83 S HA -0.053 4.417 4.470 -0.000 0.000 0.235 83 S C 1.031 175.724 174.600 0.155 0.000 0.988 83 S CA 0.902 59.211 58.200 0.182 0.000 0.944 83 S CB -0.825 62.474 63.200 0.165 0.000 0.762 83 S HN 0.644 nan 8.310 nan 0.000 0.526 84 N N 1.656 120.390 118.700 0.057 0.000 2.494 84 N HA 0.021 4.761 4.740 -0.000 0.000 0.182 84 N C 1.509 177.015 175.510 -0.005 0.000 1.076 84 N CA 0.718 53.794 53.050 0.043 0.000 0.908 84 N CB -0.193 38.312 38.487 0.030 0.000 0.967 84 N HN 0.751 nan 8.380 nan 0.000 0.449 85 E N 0.117 120.252 120.200 -0.109 0.000 2.208 85 E HA -0.080 4.270 4.350 -0.000 0.000 0.193 85 E C -0.057 176.443 176.600 -0.167 0.000 0.988 85 E CA 0.275 56.575 56.400 -0.167 0.000 0.828 85 E CB 0.174 29.732 29.700 -0.236 0.000 0.763 85 E HN 0.359 nan 8.360 nan 0.000 0.478 86 H N 0.410 119.519 119.070 0.064 0.000 2.897 86 H HA 0.045 4.601 4.556 -0.000 0.000 0.347 86 H C 0.011 175.382 175.328 0.071 0.000 1.068 86 H CA 0.531 56.630 56.048 0.086 0.000 1.426 86 H CB 0.434 30.265 29.762 0.115 0.000 1.410 86 H HN 0.171 nan 8.280 nan 0.000 0.597 87 M N 3.991 123.700 119.600 0.182 0.000 2.084 87 M HA 0.263 4.742 4.480 -0.000 0.000 0.351 87 M C 0.092 176.468 176.300 0.128 0.000 1.240 87 M CA 0.004 55.376 55.300 0.119 0.000 1.083 87 M CB 0.593 33.243 32.600 0.083 0.000 1.593 87 M HN 0.291 nan 8.290 nan 0.000 0.463 88 I N 2.726 123.367 120.570 0.118 0.000 2.306 88 I HA 0.156 4.326 4.170 -0.000 0.000 0.288 88 I C 0.256 176.429 176.117 0.093 0.000 1.036 88 I CA -0.602 60.776 61.300 0.130 0.000 1.221 88 I CB 0.852 38.937 38.000 0.141 0.000 1.385 88 I HN 0.629 nan 8.210 nan 0.000 0.472 89 D N 5.099 125.545 120.400 0.076 0.000 2.278 89 D HA -0.102 4.538 4.640 -0.000 0.000 0.240 89 D C 0.021 176.352 176.300 0.052 0.000 1.347 89 D CA 0.100 54.130 54.000 0.050 0.000 0.945 89 D CB 0.700 41.509 40.800 0.015 0.000 1.175 89 D HN 0.401 nan 8.370 nan 0.000 0.519 90 D N 1.078 121.506 120.400 0.048 0.000 2.512 90 D HA -0.062 4.578 4.640 -0.000 0.000 0.283 90 D C -0.004 176.327 176.300 0.051 0.000 1.456 90 D CA 0.316 54.347 54.000 0.051 0.000 1.224 90 D CB -0.554 40.287 40.800 0.067 0.000 1.140 90 D HN 0.275 nan 8.370 nan 0.000 0.553 91 L N 3.266 124.516 121.223 0.044 0.000 2.477 91 L HA 0.117 4.456 4.340 -0.000 0.000 0.272 91 L C -1.916 175.001 176.870 0.078 0.000 1.157 91 L CA -1.376 53.488 54.840 0.041 0.000 0.889 91 L CB 0.477 42.537 42.059 0.001 0.000 1.158 91 L HN -0.015 nan 8.230 nan 0.000 0.473 92 P HA -0.115 nan 4.420 nan 0.000 0.261 92 P C -0.908 176.519 177.300 0.212 0.000 1.165 92 P CA 0.346 63.519 63.100 0.123 0.000 0.759 92 P CB 0.279 32.035 31.700 0.093 0.000 0.772 93 K N 4.717 125.194 120.400 0.129 0.000 2.448 93 K HA 0.058 4.378 4.320 -0.000 0.000 0.278 93 K C 0.171 176.865 176.600 0.156 0.000 1.009 93 K CA 0.153 56.485 56.287 0.075 0.000 0.995 93 K CB 0.126 32.641 32.500 0.026 0.000 0.917 93 K HN 0.724 nan 8.250 nan 0.000 0.481 94 H N 0.089 119.141 119.070 -0.029 0.000 2.950 94 H HA 0.311 4.867 4.556 -0.000 0.000 0.307 94 H C -1.445 173.857 175.328 -0.044 0.000 1.403 94 H CA -0.817 55.212 56.048 -0.032 0.000 1.145 94 H CB 0.420 30.160 29.762 -0.037 0.000 1.844 94 H HN 0.621 nan 8.280 nan 0.000 0.515 95 A N 1.253 124.080 122.820 0.012 0.000 2.540 95 A HA 0.097 4.417 4.320 -0.000 0.000 0.239 95 A C 0.361 177.900 177.584 -0.075 0.000 1.061 95 A CA 0.654 52.626 52.037 -0.108 0.000 0.758 95 A CB -0.880 18.102 19.000 -0.030 0.000 0.991 95 A HN 0.866 nan 8.150 nan 0.000 0.502 96 H N 1.134 120.157 119.070 -0.079 0.000 2.713 96 H HA -0.180 4.376 4.556 -0.000 0.000 0.311 96 H C 0.620 175.875 175.328 -0.121 0.000 1.175 96 H CA 1.218 57.232 56.048 -0.057 0.000 1.143 96 H CB -1.596 28.176 29.762 0.016 0.000 1.434 96 H HN 0.989 nan 8.280 nan 0.000 0.418 97 D N -0.396 119.819 120.400 -0.308 0.000 2.351 97 D HA -0.133 4.507 4.640 -0.000 0.000 0.216 97 D C 1.742 177.955 176.300 -0.146 0.000 0.968 97 D CA 0.776 54.476 54.000 -0.500 0.000 0.899 97 D CB 0.128 40.437 40.800 -0.818 0.000 0.907 97 D HN 0.299 nan 8.370 nan 0.000 0.514 98 Q N -0.287 119.486 119.800 -0.046 0.000 2.187 98 Q HA -0.113 4.227 4.340 -0.000 0.000 0.199 98 Q C 1.973 178.013 176.000 0.067 0.000 0.957 98 Q CA 0.936 56.745 55.803 0.010 0.000 0.857 98 Q CB -0.645 28.112 28.738 0.033 0.000 0.929 98 Q HN 0.681 nan 8.270 nan 0.000 0.453 99 H N 0.043 119.105 119.070 -0.013 0.000 2.389 99 H HA -0.049 4.507 4.556 -0.000 0.000 0.299 99 H C 1.219 176.472 175.328 -0.124 0.000 1.081 99 H CA 1.471 57.500 56.048 -0.032 0.000 1.345 99 H CB 0.703 30.456 29.762 -0.016 0.000 1.393 99 H HN 0.161 nan 8.280 nan 0.000 0.520 100 T N 1.426 115.918 114.554 -0.103 0.000 2.746 100 T HA -0.144 4.206 4.350 -0.000 0.000 0.267 100 T C 2.265 176.811 174.700 -0.256 0.000 1.039 100 T CA 0.959 62.934 62.100 -0.208 0.000 1.142 100 T CB -0.273 68.606 68.868 0.018 0.000 0.866 100 T HN 0.257 nan 8.240 nan 0.000 0.444 101 L N 0.729 121.862 121.223 -0.150 0.000 2.042 101 L HA -0.141 4.199 4.340 -0.000 0.000 0.210 101 L C 2.819 179.620 176.870 -0.115 0.000 1.076 101 L CA 1.120 55.892 54.840 -0.114 0.000 0.749 101 L CB -0.457 41.575 42.059 -0.045 0.000 0.893 101 L HN 0.260 nan 8.230 nan 0.000 0.432 102 S N -0.001 115.629 115.700 -0.117 0.000 2.370 102 S HA -0.179 4.291 4.470 -0.000 0.000 0.226 102 S C 1.865 176.305 174.600 -0.267 0.000 1.033 102 S CA 1.352 59.517 58.200 -0.059 0.000 1.011 102 S CB -0.278 62.987 63.200 0.108 0.000 0.852 102 S HN 0.312 nan 8.310 nan 0.000 0.457 103 I N 1.265 121.407 120.570 -0.713 0.000 2.179 103 I HA -0.190 3.980 4.170 -0.000 0.000 0.242 103 I C 2.086 178.008 176.117 -0.325 0.000 1.088 103 I CA 1.096 61.842 61.300 -0.924 0.000 1.357 103 I CB -0.400 37.029 38.000 -0.953 0.000 1.051 103 I HN 0.230 nan 8.210 nan 0.000 0.409 104 L N 0.050 121.133 121.223 -0.232 0.000 2.046 104 L HA -0.196 4.144 4.340 -0.000 0.000 0.208 104 L C 2.833 179.743 176.870 0.068 0.000 1.077 104 L CA 1.140 55.946 54.840 -0.056 0.000 0.747 104 L CB -0.640 41.363 42.059 -0.095 0.000 0.896 104 L HN 0.207 nan 8.230 nan 0.000 0.432 105 R N 0.012 120.538 120.500 0.043 0.000 2.091 105 R HA -0.204 4.136 4.340 -0.000 0.000 0.238 105 R C 1.833 178.206 176.300 0.123 0.000 1.136 105 R CA 1.848 58.007 56.100 0.098 0.000 0.959 105 R CB -0.843 29.514 30.300 0.094 0.000 0.856 105 R HN 0.414 nan 8.270 nan 0.000 0.437 106 D N -0.226 120.266 120.400 0.153 0.000 2.117 106 D HA -0.148 4.492 4.640 -0.000 0.000 0.198 106 D C 1.707 178.113 176.300 0.176 0.000 0.982 106 D CA 0.665 54.787 54.000 0.203 0.000 0.828 106 D CB -0.087 40.948 40.800 0.391 0.000 0.967 106 D HN 0.094 nan 8.370 nan 0.000 0.464 107 F N 0.874 120.836 119.950 0.020 0.000 2.102 107 F HA -0.063 4.464 4.527 -0.000 0.000 0.298 107 F C 1.953 177.750 175.800 -0.005 0.000 1.105 107 F CA 1.253 59.250 58.000 -0.005 0.000 1.239 107 F CB -0.338 38.639 39.000 -0.039 0.000 0.991 107 F HN 0.005 nan 8.300 nan 0.000 0.474 108 I N 0.154 120.737 120.570 0.021 0.000 2.208 108 I HA -0.312 3.858 4.170 -0.000 0.000 0.245 108 I C 2.226 178.278 176.117 -0.108 0.000 1.097 108 I CA 1.809 63.047 61.300 -0.102 0.000 1.363 108 I CB -0.617 37.371 38.000 -0.019 0.000 1.051 108 I HN 0.151 nan 8.210 nan 0.000 0.413 109 D N 0.786 121.174 120.400 -0.021 0.000 2.123 109 D HA -0.225 4.415 4.640 -0.000 0.000 0.196 109 D C 2.170 178.430 176.300 -0.068 0.000 0.992 109 D CA 1.532 55.528 54.000 -0.007 0.000 0.833 109 D CB -0.028 40.792 40.800 0.034 0.000 0.954 109 D HN 0.369 nan 8.370 nan 0.000 0.455 110 Q N -0.625 119.103 119.800 -0.120 0.000 2.369 110 Q HA 0.018 4.358 4.340 -0.000 0.000 0.206 110 Q C 2.208 178.079 176.000 -0.216 0.000 0.963 110 Q CA 0.264 55.977 55.803 -0.150 0.000 0.894 110 Q CB 0.211 28.863 28.738 -0.143 0.000 0.965 110 Q HN 0.403 nan 8.270 nan 0.000 0.475 111 L N 0.516 121.557 121.223 -0.304 0.000 2.478 111 L HA -0.038 4.302 4.340 -0.000 0.000 0.223 111 L C 0.176 176.931 176.870 -0.190 0.000 1.140 111 L CA 0.285 54.959 54.840 -0.277 0.000 0.842 111 L CB -0.057 41.796 42.059 -0.342 0.000 0.953 111 L HN 0.110 nan 8.230 nan 0.000 0.452 112 K N 1.396 121.694 120.400 -0.170 0.000 3.419 112 K HA -0.166 4.154 4.320 -0.000 0.000 0.272 112 K C -0.314 176.046 176.600 -0.400 0.000 0.973 112 K CA 0.572 56.741 56.287 -0.196 0.000 0.749 112 K CB -1.951 30.470 32.500 -0.132 0.000 1.403 112 K HN 0.332 nan 8.250 nan 0.000 0.456 113 L N 1.177 122.242 121.223 -0.262 0.000 2.452 113 L HA 0.101 4.440 4.340 -0.000 0.000 0.267 113 L C 1.713 178.411 176.870 -0.287 0.000 1.188 113 L CA -0.222 54.487 54.840 -0.218 0.000 0.821 113 L CB 0.300 42.377 42.059 0.030 0.000 1.102 113 L HN 0.258 nan 8.230 nan 0.000 0.470 114 H N 0.799 119.956 119.070 0.145 0.000 2.674 114 H HA 0.362 4.918 4.556 -0.000 0.000 0.274 114 H C -0.529 174.843 175.328 0.074 0.000 1.121 114 H CA -0.143 55.961 56.048 0.093 0.000 1.132 114 H CB 0.378 30.175 29.762 0.058 0.000 1.606 114 H HN 0.543 nan 8.280 nan 0.000 0.558 115 N N 0.229 119.037 118.700 0.179 0.000 2.525 115 N HA 0.241 4.981 4.740 -0.000 0.000 0.270 115 N C -0.744 174.781 175.510 0.024 0.000 1.321 115 N CA -0.555 52.485 53.050 -0.017 0.000 0.797 115 N CB 3.343 41.670 38.487 -0.267 0.000 1.529 115 N HN -0.200 nan 8.380 nan 0.000 0.491 116 V N 1.902 121.746 119.914 -0.116 0.000 2.427 116 V HA 0.431 4.551 4.120 -0.000 0.000 0.286 116 V C -0.908 175.146 176.094 -0.066 0.000 1.034 116 V CA -0.302 62.007 62.300 0.014 0.000 0.893 116 V CB 0.183 31.957 31.823 -0.082 0.000 0.982 116 V HN 0.514 nan 8.190 nan 0.000 0.452 117 Y N 1.699 122.228 120.300 0.382 0.000 2.587 117 Y HA 0.556 5.106 4.550 -0.000 0.000 0.337 117 Y C 0.238 176.217 175.900 0.132 0.000 1.065 117 Y CA -1.003 57.200 58.100 0.171 0.000 1.126 117 Y CB 1.619 40.106 38.460 0.046 0.000 1.279 117 Y HN 0.587 nan 8.280 nan 0.000 0.489 118 E N 2.176 122.518 120.200 0.237 0.000 2.145 118 E HA 0.583 4.933 4.350 -0.000 0.000 0.270 118 E C -1.646 175.008 176.600 0.090 0.000 0.906 118 E CA -0.327 56.153 56.400 0.134 0.000 0.761 118 E CB 0.807 30.556 29.700 0.082 0.000 1.116 118 E HN 0.564 nan 8.360 nan 0.000 0.408 119 I N 3.663 124.256 120.570 0.038 0.000 2.509 119 I HA 0.364 4.534 4.170 -0.000 0.000 0.293 119 I C -0.873 175.149 176.117 -0.158 0.000 1.020 119 I CA -1.018 60.220 61.300 -0.104 0.000 1.088 119 I CB 2.018 39.948 38.000 -0.117 0.000 1.267 119 I HN 0.452 nan 8.210 nan 0.000 0.430 120 N N 5.020 123.506 118.700 -0.357 0.000 2.314 120 N HA 0.611 5.351 4.740 -0.000 0.000 0.294 120 N C -1.437 173.564 175.510 -0.848 0.000 1.029 120 N CA -0.437 52.331 53.050 -0.469 0.000 0.845 120 N CB 1.686 39.892 38.487 -0.469 0.000 1.321 120 N HN 0.279 nan 8.380 nan 0.000 0.481 121 F N 1.686 121.246 119.950 -0.650 0.000 2.469 121 F HA 0.508 5.035 4.527 -0.000 0.000 0.332 121 F C -0.630 174.728 175.800 -0.738 0.000 1.103 121 F CA -0.517 57.137 58.000 -0.575 0.000 0.979 121 F CB 0.981 39.806 39.000 -0.291 0.000 1.137 121 F HN 0.329 nan 8.300 nan 0.000 0.463 122 Y N 0.685 120.929 120.300 -0.093 0.000 2.462 122 Y HA 0.308 4.858 4.550 -0.000 0.000 0.346 122 Y C -0.236 175.625 175.900 -0.064 0.000 0.976 122 Y CA -2.021 55.959 58.100 -0.200 0.000 1.044 122 Y CB 1.273 39.317 38.460 -0.694 0.000 1.230 122 Y HN 0.566 nan 8.280 nan 0.000 0.455 123 D N 1.789 122.289 120.400 0.167 0.000 2.697 123 D HA -0.148 4.492 4.640 -0.000 0.000 0.235 123 D C -2.082 174.329 176.300 0.185 0.000 1.167 123 D CA 0.498 54.587 54.000 0.150 0.000 0.656 123 D CB -0.460 40.437 40.800 0.162 0.000 1.025 123 D HN 0.443 nan 8.370 nan 0.000 0.419 124 P HA -0.019 nan 4.420 nan 0.000 0.249 124 P C 0.741 178.078 177.300 0.062 0.000 1.229 124 P CA 0.105 63.251 63.100 0.076 0.000 0.788 124 P CB 0.480 32.126 31.700 -0.090 0.000 1.072 125 L N 1.339 122.537 121.223 -0.042 0.000 2.312 125 L HA 0.253 4.593 4.340 -0.000 0.000 0.281 125 L C 0.979 177.565 176.870 -0.473 0.000 1.070 125 L CA -0.923 53.807 54.840 -0.183 0.000 0.805 125 L CB 0.523 42.502 42.059 -0.133 0.000 1.174 125 L HN -0.082 nan 8.230 nan 0.000 0.434 126 D N 0.740 120.846 120.400 -0.491 0.000 2.440 126 D HA 0.070 4.710 4.640 -0.000 0.000 0.269 126 D C 0.958 176.976 176.300 -0.469 0.000 1.249 126 D CA -0.590 53.007 54.000 -0.672 0.000 1.055 126 D CB 0.420 41.023 40.800 -0.329 0.000 1.104 126 D HN 0.341 nan 8.370 nan 0.000 0.561 127 S N -1.172 114.215 115.700 -0.521 0.000 2.419 127 S HA -0.126 4.344 4.470 -0.000 0.000 0.235 127 S C 1.791 176.046 174.600 -0.575 0.000 1.019 127 S CA 1.194 58.991 58.200 -0.672 0.000 0.982 127 S CB -0.364 62.096 63.200 -1.234 0.000 0.789 127 S HN 0.489 nan 8.310 nan 0.000 0.490 128 S N -0.220 115.259 115.700 -0.368 0.000 2.562 128 S HA 0.322 4.792 4.470 -0.000 0.000 0.221 128 S C 1.521 176.153 174.600 0.054 0.000 0.975 128 S CA 0.520 58.732 58.200 0.020 0.000 0.918 128 S CB 0.238 63.610 63.200 0.286 0.000 0.772 128 S HN 0.739 nan 8.310 nan 0.000 0.531 129 G N 1.850 110.610 108.800 -0.066 0.000 2.141 129 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.242 129 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.242 129 G C -0.043 174.825 174.900 -0.054 0.000 0.982 129 G CA 0.220 45.295 45.100 -0.041 0.000 0.662 129 G HN 0.510 nan 8.290 nan 0.000 0.527 130 K N 0.124 120.463 120.400 -0.101 0.000 2.130 130 K HA 0.669 4.989 4.320 -0.000 0.000 0.268 130 K C 0.473 176.972 176.600 -0.168 0.000 0.983 130 K CA -1.093 55.104 56.287 -0.149 0.000 0.893 130 K CB 0.827 33.166 32.500 -0.269 0.000 1.066 130 K HN 0.171 nan 8.250 nan 0.000 0.450 131 L N 3.546 124.659 121.223 -0.184 0.000 2.513 131 L HA 0.169 4.509 4.340 -0.000 0.000 0.272 131 L C -0.693 176.078 176.870 -0.165 0.000 1.187 131 L CA 0.723 55.414 54.840 -0.249 0.000 0.895 131 L CB 0.556 42.395 42.059 -0.366 0.000 1.147 131 L HN 0.712 nan 8.230 nan 0.000 0.483 132 A N 5.321 128.083 122.820 -0.097 0.000 2.444 132 A HA 0.442 4.761 4.320 -0.000 0.000 0.332 132 A C 0.977 178.489 177.584 -0.119 0.000 1.430 132 A CA -0.552 51.458 52.037 -0.046 0.000 0.975 132 A CB 0.461 19.538 19.000 0.130 0.000 1.147 132 A HN 0.724 nan 8.150 nan 0.000 0.524 133 V N 3.507 123.321 119.914 -0.167 0.000 2.332 133 V HA -0.276 3.844 4.120 -0.000 0.000 0.248 133 V C 2.328 178.279 176.094 -0.238 0.000 1.055 133 V CA 2.433 64.597 62.300 -0.227 0.000 1.038 133 V CB -0.827 30.854 31.823 -0.237 0.000 0.651 133 V HN 0.911 nan 8.190 nan 0.000 0.450 134 I N 0.721 121.172 120.570 -0.199 0.000 2.127 134 I HA -0.170 4.000 4.170 -0.000 0.000 0.241 134 I C 0.120 176.117 176.117 -0.200 0.000 1.075 134 I CA 1.877 63.051 61.300 -0.210 0.000 1.334 134 I CB -1.583 36.309 38.000 -0.180 0.000 1.040 134 I HN 0.374 nan 8.210 nan 0.000 0.405 135 P HA -0.154 nan 4.420 nan 0.000 0.221 135 P C 1.803 179.015 177.300 -0.146 0.000 1.150 135 P CA 1.650 64.638 63.100 -0.185 0.000 0.800 135 P CB -0.041 31.473 31.700 -0.311 0.000 0.787 136 M N -0.804 118.708 119.600 -0.146 0.000 2.086 136 M HA -0.099 4.381 4.480 -0.000 0.000 0.261 136 M C 2.369 178.643 176.300 -0.043 0.000 1.067 136 M CA 1.769 57.041 55.300 -0.047 0.000 1.116 136 M CB -0.761 31.736 32.600 -0.172 0.000 1.348 136 M HN -0.127 nan 8.290 nan 0.000 0.407 137 L N -0.353 120.706 121.223 -0.275 0.000 2.093 137 L HA -0.173 4.167 4.340 -0.000 0.000 0.208 137 L C 2.315 179.035 176.870 -0.251 0.000 1.085 137 L CA 1.077 55.576 54.840 -0.569 0.000 0.755 137 L CB -0.597 40.804 42.059 -1.096 0.000 0.904 137 L HN 0.323 nan 8.230 nan 0.000 0.435 138 I N 0.037 120.534 120.570 -0.122 0.000 2.315 138 I HA -0.228 3.942 4.170 -0.000 0.000 0.248 138 I C 2.812 179.044 176.117 0.192 0.000 1.117 138 I CA 1.004 62.366 61.300 0.103 0.000 1.404 138 I CB -0.381 37.639 38.000 0.033 0.000 1.071 138 I HN 0.180 nan 8.210 nan 0.000 0.419 139 A N 0.790 123.645 122.820 0.058 0.000 1.902 139 A HA -0.214 4.106 4.320 -0.000 0.000 0.217 139 A C 2.239 179.824 177.584 0.001 0.000 1.181 139 A CA 1.416 53.463 52.037 0.017 0.000 0.623 139 A CB -0.729 18.249 19.000 -0.038 0.000 0.818 139 A HN 0.376 nan 8.150 nan 0.000 0.443 140 L N -1.398 119.852 121.223 0.044 0.000 2.046 140 L HA -0.124 4.216 4.340 -0.000 0.000 0.208 140 L C 2.168 179.111 176.870 0.123 0.000 1.077 140 L CA 2.366 57.225 54.840 0.032 0.000 0.747 140 L CB -0.915 41.250 42.059 0.177 0.000 0.896 140 L HN 0.659 nan 8.230 nan 0.000 0.432 141 W N 0.815 122.181 121.300 0.110 0.000 2.338 141 W HA -0.211 4.449 4.660 -0.000 0.000 0.304 141 W C 2.266 178.780 176.519 -0.008 0.000 1.212 141 W CA 1.820 59.222 57.345 0.096 0.000 1.264 141 W CB -0.200 29.372 29.460 0.188 0.000 1.142 141 W HN -0.032 nan 8.180 nan 0.000 0.512 142 K N -0.049 120.220 120.400 -0.219 0.000 2.097 142 K HA -0.194 4.126 4.320 -0.000 0.000 0.206 142 K C 2.287 178.685 176.600 -0.335 0.000 1.049 142 K CA 1.479 57.488 56.287 -0.465 0.000 0.933 142 K CB -1.552 30.821 32.500 -0.211 0.000 0.717 142 K HN 0.367 nan 8.250 nan 0.000 0.442 143 C N 1.013 120.179 119.300 -0.224 0.000 2.432 143 C HA -0.071 4.389 4.460 -0.000 0.000 0.277 143 C C 2.650 177.492 174.990 -0.247 0.000 1.249 143 C CA 0.619 59.511 59.018 -0.211 0.000 1.725 143 C CB -0.581 27.027 27.740 -0.219 0.000 2.028 143 C HN 0.380 nan 8.230 nan 0.000 0.477 144 M N 0.119 119.547 119.600 -0.285 0.000 2.175 144 M HA -0.039 4.441 4.480 -0.000 0.000 0.264 144 M C 2.072 178.224 176.300 -0.246 0.000 1.063 144 M CA 1.172 56.290 55.300 -0.302 0.000 1.119 144 M CB -1.642 30.784 32.600 -0.291 0.000 1.377 144 M HN 0.418 nan 8.290 nan 0.000 0.415 145 L N 0.764 121.774 121.223 -0.355 0.000 2.127 145 L HA -0.097 4.243 4.340 -0.000 0.000 0.211 145 L C 2.225 178.963 176.870 -0.220 0.000 1.089 145 L CA 1.963 56.589 54.840 -0.357 0.000 0.757 145 L CB -0.676 40.987 42.059 -0.659 0.000 0.899 145 L HN 0.244 nan 8.230 nan 0.000 0.434 146 A N -2.737 119.963 122.820 -0.201 0.000 2.238 146 A HA 0.118 4.438 4.320 -0.000 0.000 0.210 146 A C 2.194 179.740 177.584 -0.063 0.000 1.179 146 A CA 0.900 52.864 52.037 -0.121 0.000 0.827 146 A CB -0.234 18.696 19.000 -0.116 0.000 0.856 146 A HN 0.443 nan 8.150 nan 0.000 0.488 147 S N -0.153 115.512 115.700 -0.057 0.000 2.441 147 S HA 0.074 4.544 4.470 -0.000 0.000 0.224 147 S C 0.698 175.346 174.600 0.080 0.000 1.043 147 S CA 0.680 58.901 58.200 0.035 0.000 0.948 147 S CB 0.039 63.281 63.200 0.070 0.000 0.810 147 S HN 0.868 nan 8.310 nan 0.000 0.504 148 E N 0.612 120.843 120.200 0.053 0.000 2.429 148 E HA 0.471 4.821 4.350 -0.000 0.000 0.276 148 E C -1.009 175.618 176.600 0.046 0.000 0.953 148 E CA -1.042 55.406 56.400 0.081 0.000 0.787 148 E CB 1.098 30.893 29.700 0.158 0.000 1.307 148 E HN 0.093 nan 8.360 nan 0.000 0.458 149 T N -1.415 113.178 114.554 0.065 0.000 2.849 149 T HA 0.319 4.669 4.350 -0.000 0.000 0.284 149 T C 0.276 175.028 174.700 0.088 0.000 1.004 149 T CA 0.328 62.460 62.100 0.054 0.000 1.021 149 T CB 0.626 69.520 68.868 0.044 0.000 1.013 149 T HN 0.820 nan 8.240 nan 0.000 0.527 150 D N -0.896 119.546 120.400 0.069 0.000 3.051 150 D HA -0.129 4.511 4.640 -0.000 0.000 0.218 150 D C -0.627 175.717 176.300 0.073 0.000 1.129 150 D CA 0.265 54.318 54.000 0.087 0.000 0.868 150 D CB -1.216 39.673 40.800 0.149 0.000 1.100 150 D HN 0.552 nan 8.370 nan 0.000 0.429 151 I N 1.293 121.894 120.570 0.050 0.000 2.440 151 I HA 0.220 4.390 4.170 -0.000 0.000 0.294 151 I C 1.771 177.965 176.117 0.128 0.000 0.995 151 I CA -0.826 60.508 61.300 0.057 0.000 1.306 151 I CB 0.371 38.371 38.000 0.001 0.000 1.407 151 I HN 0.429 nan 8.210 nan 0.000 0.501 152 C N 4.309 123.709 119.300 0.168 0.000 2.702 152 C HA 0.209 4.669 4.460 -0.000 0.000 0.411 152 C C 0.582 175.764 174.990 0.321 0.000 1.286 152 C CA -0.769 58.353 59.018 0.174 0.000 1.979 152 C CB -0.507 27.277 27.740 0.074 0.000 2.728 152 C HN 0.860 nan 8.230 nan 0.000 0.652 153 D N 0.538 121.056 120.400 0.196 0.000 2.447 153 D HA 0.180 4.820 4.640 -0.000 0.000 0.265 153 D C 1.064 177.443 176.300 0.131 0.000 1.250 153 D CA -0.364 53.780 54.000 0.239 0.000 1.046 153 D CB 0.238 41.114 40.800 0.125 0.000 1.095 153 D HN 0.809 nan 8.370 nan 0.000 0.555 154 Q N -0.874 118.995 119.800 0.115 0.000 2.096 154 Q HA -0.228 4.112 4.340 -0.000 0.000 0.204 154 Q C 1.497 177.390 176.000 -0.177 0.000 0.982 154 Q CA 1.377 57.102 55.803 -0.130 0.000 0.850 154 Q CB 0.057 28.795 28.738 -0.000 0.000 0.901 154 Q HN 0.444 nan 8.270 nan 0.000 0.422 155 E N -0.234 119.918 120.200 -0.080 0.000 2.077 155 E HA -0.132 4.218 4.350 -0.000 0.000 0.193 155 E C 2.134 178.676 176.600 -0.096 0.000 0.989 155 E CA 1.107 57.459 56.400 -0.079 0.000 0.800 155 E CB -0.195 29.482 29.700 -0.038 0.000 0.746 155 E HN 0.263 nan 8.360 nan 0.000 0.452 156 V N 1.629 121.492 119.914 -0.085 0.000 2.427 156 V HA -0.209 3.910 4.120 -0.000 0.000 0.248 156 V C 2.469 178.475 176.094 -0.146 0.000 1.051 156 V CA 1.242 63.491 62.300 -0.085 0.000 1.048 156 V CB -0.531 31.264 31.823 -0.046 0.000 0.666 156 V HN 0.158 nan 8.190 nan 0.000 0.456 157 L N 0.516 121.581 121.223 -0.264 0.000 2.012 157 L HA -0.202 4.138 4.340 -0.000 0.000 0.210 157 L C 2.392 179.111 176.870 -0.250 0.000 1.073 157 L CA 2.051 56.650 54.840 -0.402 0.000 0.748 157 L CB -0.680 40.811 42.059 -0.946 0.000 0.891 157 L HN 0.208 nan 8.230 nan 0.000 0.431 158 K N -1.003 119.258 120.400 -0.231 0.000 2.097 158 K HA -0.151 4.169 4.320 -0.000 0.000 0.206 158 K C 2.353 178.890 176.600 -0.104 0.000 1.049 158 K CA 1.412 57.601 56.287 -0.162 0.000 0.933 158 K CB -0.355 32.058 32.500 -0.145 0.000 0.717 158 K HN 0.426 nan 8.250 nan 0.000 0.442 159 S N 1.093 116.739 115.700 -0.090 0.000 2.368 159 S HA -0.083 4.387 4.470 -0.000 0.000 0.224 159 S C 1.932 176.510 174.600 -0.038 0.000 1.029 159 S CA 0.866 59.031 58.200 -0.058 0.000 0.988 159 S CB -0.148 63.020 63.200 -0.053 0.000 0.838 159 S HN 0.187 nan 8.310 nan 0.000 0.462 160 I N 1.050 121.599 120.570 -0.036 0.000 2.252 160 I HA -0.193 3.977 4.170 -0.000 0.000 0.245 160 I C 2.553 178.717 176.117 0.079 0.000 1.102 160 I CA 1.318 62.626 61.300 0.013 0.000 1.385 160 I CB -0.330 37.662 38.000 -0.013 0.000 1.064 160 I HN 0.363 nan 8.210 nan 0.000 0.414 161 M N 0.177 119.809 119.600 0.053 0.000 2.159 161 M HA -0.190 4.290 4.480 -0.000 0.000 0.263 161 M C 1.954 178.246 176.300 -0.014 0.000 1.063 161 M CA 1.572 56.879 55.300 0.012 0.000 1.110 161 M CB -0.564 31.984 32.600 -0.087 0.000 1.374 161 M HN 0.274 nan 8.290 nan 0.000 0.411 162 N N -0.081 118.602 118.700 -0.029 0.000 2.188 162 N HA -0.126 4.614 4.740 -0.000 0.000 0.184 162 N C 1.841 177.350 175.510 -0.003 0.000 1.018 162 N CA 1.433 54.466 53.050 -0.029 0.000 0.858 162 N CB -0.351 38.112 38.487 -0.040 0.000 0.989 162 N HN 0.260 nan 8.380 nan 0.000 0.426 163 S N 0.372 116.079 115.700 0.012 0.000 2.368 163 S HA -0.045 4.425 4.470 -0.000 0.000 0.224 163 S C 2.059 176.696 174.600 0.061 0.000 1.029 163 S CA 0.850 59.063 58.200 0.023 0.000 0.988 163 S CB -0.169 63.044 63.200 0.021 0.000 0.838 163 S HN 0.053 nan 8.310 nan 0.000 0.462 164 V N 1.993 121.974 119.914 0.112 0.000 2.358 164 V HA -0.099 4.021 4.120 -0.000 0.000 0.246 164 V C 2.289 178.518 176.094 0.224 0.000 1.047 164 V CA 1.760 64.192 62.300 0.221 0.000 1.035 164 V CB -0.635 31.308 31.823 0.199 0.000 0.658 164 V HN 0.503 nan 8.190 nan 0.000 0.452 165 I N 0.543 121.167 120.570 0.090 0.000 2.226 165 I HA -0.248 3.922 4.170 -0.000 0.000 0.245 165 I C 2.658 178.816 176.117 0.068 0.000 1.100 165 I CA 1.561 62.895 61.300 0.057 0.000 1.374 165 I CB -0.548 37.445 38.000 -0.012 0.000 1.057 165 I HN 0.299 nan 8.210 nan 0.000 0.413 166 A N 0.667 123.509 122.820 0.036 0.000 1.873 166 A HA -0.243 4.077 4.320 -0.000 0.000 0.215 166 A C 2.392 179.969 177.584 -0.012 0.000 1.186 166 A CA 1.783 53.825 52.037 0.007 0.000 0.616 166 A CB -0.511 18.482 19.000 -0.011 0.000 0.823 166 A HN 0.341 nan 8.150 nan 0.000 0.442 167 K N -1.420 118.959 120.400 -0.035 0.000 2.063 167 K HA -0.128 4.192 4.320 -0.000 0.000 0.208 167 K C 0.914 177.328 176.600 -0.310 0.000 1.048 167 K CA 1.685 57.853 56.287 -0.198 0.000 0.928 167 K CB -0.258 32.070 32.500 -0.286 0.000 0.713 167 K HN 0.419 nan 8.250 nan 0.000 0.442 168 F N 1.438 121.394 119.950 0.010 0.000 2.693 168 F HA 0.177 4.703 4.527 -0.000 0.000 0.303 168 F C -0.176 175.658 175.800 0.057 0.000 1.097 168 F CA 0.094 58.125 58.000 0.052 0.000 1.330 168 F CB 0.219 39.217 39.000 -0.004 0.000 1.067 168 F HN 0.080 nan 8.300 nan 0.000 0.565 169 E N 0.850 121.124 120.200 0.123 0.000 2.328 169 E HA -0.238 4.112 4.350 -0.000 0.000 0.233 169 E C -0.356 176.295 176.600 0.084 0.000 1.219 169 E CA -0.059 56.384 56.400 0.072 0.000 0.717 169 E CB -1.822 27.903 29.700 0.042 0.000 1.210 169 E HN 0.418 nan 8.360 nan 0.000 0.381 170 L N 1.092 122.370 121.223 0.093 0.000 2.416 170 L HA 0.043 4.383 4.340 -0.000 0.000 0.272 170 L C 1.057 177.932 176.870 0.009 0.000 1.161 170 L CA 0.124 54.994 54.840 0.050 0.000 0.845 170 L CB 0.353 42.421 42.059 0.014 0.000 1.119 170 L HN 0.059 nan 8.230 nan 0.000 0.464 171 Q N 5.395 125.194 119.800 -0.002 0.000 2.509 171 Q HA 0.456 4.795 4.340 -0.000 0.000 0.230 171 Q C -0.630 175.352 176.000 -0.030 0.000 1.089 171 Q CA 0.164 55.958 55.803 -0.014 0.000 0.901 171 Q CB 1.092 29.829 28.738 -0.002 0.000 1.208 171 Q HN 0.517 nan 8.270 nan 0.000 0.529 172 I N 3.719 124.262 120.570 -0.046 0.000 2.495 172 I HA 0.271 4.440 4.170 -0.000 0.000 0.277 172 I C -2.247 173.824 176.117 -0.076 0.000 1.045 172 I CA -2.020 59.242 61.300 -0.062 0.000 1.135 172 I CB 1.696 39.643 38.000 -0.088 0.000 1.241 172 I HN 0.090 nan 8.210 nan 0.000 0.469 173 P HA 0.038 nan 4.420 nan 0.000 0.266 173 P C 0.150 177.404 177.300 -0.077 0.000 1.195 173 P CA -0.007 63.057 63.100 -0.058 0.000 0.768 173 P CB 0.352 32.018 31.700 -0.057 0.000 0.838 174 C N 1.538 120.791 119.300 -0.077 0.000 4.235 174 C HA -0.169 4.291 4.460 -0.000 0.000 0.301 174 C C 1.945 176.748 174.990 -0.312 0.000 1.409 174 C CA 0.924 59.861 59.018 -0.135 0.000 2.024 174 C CB -2.973 24.766 27.740 -0.001 0.000 1.286 174 C HN 0.814 nan 8.230 nan 0.000 0.746 175 K N 0.969 121.233 120.400 -0.226 0.000 2.160 175 K HA -0.222 4.098 4.320 -0.000 0.000 0.206 175 K C 1.576 178.027 176.600 -0.248 0.000 1.047 175 K CA 2.140 58.281 56.287 -0.242 0.000 0.930 175 K CB -0.177 32.227 32.500 -0.160 0.000 0.720 175 K HN 0.615 nan 8.250 nan 0.000 0.450 176 N N 1.435 120.018 118.700 -0.194 0.000 2.120 176 N HA -0.115 4.625 4.740 -0.000 0.000 0.188 176 N C 1.943 177.336 175.510 -0.195 0.000 1.024 176 N CA 1.668 54.620 53.050 -0.163 0.000 0.852 176 N CB -0.384 38.040 38.487 -0.105 0.000 1.003 176 N HN 0.441 nan 8.380 nan 0.000 0.424 177 A N 0.701 123.377 122.820 -0.241 0.000 1.930 177 A HA -0.025 4.295 4.320 -0.000 0.000 0.217 177 A C 2.503 179.853 177.584 -0.391 0.000 1.175 177 A CA 0.974 52.876 52.037 -0.226 0.000 0.627 177 A CB -0.600 18.327 19.000 -0.120 0.000 0.815 177 A HN 0.094 nan 8.150 nan 0.000 0.443 178 V N 0.299 119.832 119.914 -0.634 0.000 2.343 178 V HA -0.269 3.850 4.120 -0.000 0.000 0.247 178 V C 2.406 178.313 176.094 -0.312 0.000 1.051 178 V CA 2.031 64.009 62.300 -0.537 0.000 1.036 178 V CB -0.703 30.808 31.823 -0.520 0.000 0.654 178 V HN 0.571 nan 8.190 nan 0.000 0.451 179 I N 0.085 120.488 120.570 -0.278 0.000 2.226 179 I HA -0.229 3.941 4.170 -0.000 0.000 0.245 179 I C 2.317 178.296 176.117 -0.230 0.000 1.100 179 I CA 1.607 62.773 61.300 -0.224 0.000 1.374 179 I CB -0.502 37.378 38.000 -0.201 0.000 1.057 179 I HN 0.323 nan 8.210 nan 0.000 0.413 180 D N 1.058 121.307 120.400 -0.251 0.000 2.144 180 D HA -0.144 4.496 4.640 -0.000 0.000 0.199 180 D C 2.247 178.192 176.300 -0.592 0.000 0.984 180 D CA 1.559 55.382 54.000 -0.295 0.000 0.834 180 D CB -0.113 40.579 40.800 -0.180 0.000 0.955 180 D HN 0.357 nan 8.370 nan 0.000 0.465 181 A N 0.373 122.780 122.820 -0.690 0.000 1.930 181 A HA -0.132 4.188 4.320 -0.000 0.000 0.217 181 A C 2.346 179.748 177.584 -0.304 0.000 1.175 181 A CA 1.833 53.428 52.037 -0.737 0.000 0.627 181 A CB -0.715 18.156 19.000 -0.215 0.000 0.815 181 A HN 0.199 nan 8.150 nan 0.000 0.443 182 T N 0.336 114.762 114.554 -0.214 0.000 2.821 182 T HA -0.016 4.334 4.350 -0.000 0.000 0.267 182 T C 1.749 176.405 174.700 -0.075 0.000 1.046 182 T CA 1.387 63.417 62.100 -0.115 0.000 1.139 182 T CB -0.279 68.519 68.868 -0.116 0.000 0.871 182 T HN 0.370 nan 8.240 nan 0.000 0.454 183 L N 0.398 121.562 121.223 -0.098 0.000 2.131 183 L HA 0.054 4.394 4.340 -0.000 0.000 0.206 183 L C 2.592 179.454 176.870 -0.012 0.000 1.087 183 L CA 0.859 55.686 54.840 -0.022 0.000 0.767 183 L CB -0.233 41.811 42.059 -0.025 0.000 0.917 183 L HN 0.179 nan 8.230 nan 0.000 0.441 184 S N -1.066 114.596 115.700 -0.064 0.000 2.492 184 S HA 0.312 4.782 4.470 -0.000 0.000 0.218 184 S C 0.898 175.535 174.600 0.061 0.000 1.016 184 S CA 0.482 58.692 58.200 0.017 0.000 0.916 184 S CB 0.467 63.721 63.200 0.091 0.000 0.791 184 S HN 0.573 nan 8.310 nan 0.000 0.513 185 G N 1.093 109.915 108.800 0.037 0.000 2.828 185 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.463 185 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.463 185 G C -0.041 174.974 174.900 0.193 0.000 1.394 185 G CA -0.205 44.946 45.100 0.085 0.000 0.862 185 G HN 0.294 nan 8.290 nan 0.000 0.540 186 S N -0.287 115.497 115.700 0.139 0.000 2.843 186 S HA 0.217 4.687 4.470 -0.000 0.000 0.249 186 S C 1.631 176.271 174.600 0.066 0.000 1.047 186 S CA -0.127 58.142 58.200 0.114 0.000 1.042 186 S CB 0.445 63.709 63.200 0.107 0.000 0.936 186 S HN 0.585 nan 8.310 nan 0.000 0.531 187 R N 0.920 121.455 120.500 0.059 0.000 2.316 187 R HA 0.104 4.444 4.340 -0.000 0.000 0.202 187 R C 1.222 177.540 176.300 0.031 0.000 1.029 187 R CA 0.894 57.020 56.100 0.043 0.000 1.018 187 R CB 0.150 30.465 30.300 0.025 0.000 0.888 187 R HN 0.472 nan 8.270 nan 0.000 0.471 188 E N -0.806 119.406 120.200 0.019 0.000 2.475 188 E HA 0.101 4.451 4.350 -0.000 0.000 0.205 188 E C -0.185 176.386 176.600 -0.048 0.000 0.822 188 E CA 0.170 56.570 56.400 -0.000 0.000 1.240 188 E CB 0.907 30.609 29.700 0.002 0.000 1.222 188 E HN 0.175 nan 8.360 nan 0.000 0.581 189 E N 0.897 121.029 120.200 -0.113 0.000 2.369 189 E HA 0.420 4.769 4.350 -0.000 0.000 0.270 189 E C -1.484 174.855 176.600 -0.435 0.000 0.909 189 E CA -0.656 55.575 56.400 -0.281 0.000 0.775 189 E CB 3.459 32.945 29.700 -0.357 0.000 1.270 189 E HN -0.123 nan 8.360 nan 0.000 0.445 190 V N 2.445 122.028 119.914 -0.551 0.000 2.427 190 V HA 0.207 4.327 4.120 -0.000 0.000 0.286 190 V C -0.827 174.958 176.094 -0.515 0.000 1.034 190 V CA -0.434 61.540 62.300 -0.544 0.000 0.893 190 V CB 0.914 32.172 31.823 -0.943 0.000 0.982 190 V HN 0.631 nan 8.190 nan 0.000 0.452 191 H N 7.498 126.523 119.070 -0.074 0.000 2.761 191 H HA 0.403 4.959 4.556 -0.000 0.000 0.284 191 H C -0.219 175.150 175.328 0.069 0.000 1.105 191 H CA 0.025 56.075 56.048 0.003 0.000 1.352 191 H CB 0.728 30.512 29.762 0.037 0.000 1.423 191 H HN 0.534 nan 8.280 nan 0.000 0.464 192 I N 4.710 125.310 120.570 0.050 0.000 2.437 192 I HA 0.156 4.326 4.170 -0.000 0.000 0.298 192 I C 1.173 177.336 176.117 0.076 0.000 0.984 192 I CA -1.069 60.266 61.300 0.058 0.000 1.214 192 I CB 1.759 39.744 38.000 -0.026 0.000 1.365 192 I HN 0.460 nan 8.210 nan 0.000 0.469 193 I N 3.108 123.737 120.570 0.098 0.000 2.906 193 I HA 0.156 4.326 4.170 -0.000 0.000 0.302 193 I C 0.876 177.010 176.117 0.029 0.000 1.220 193 I CA -0.375 60.965 61.300 0.066 0.000 1.441 193 I CB 0.141 38.182 38.000 0.068 0.000 1.336 193 I HN 0.695 nan 8.210 nan 0.000 0.565 194 A N 5.686 128.516 122.820 0.017 0.000 2.614 194 A HA 0.065 4.385 4.320 -0.000 0.000 0.231 194 A C 0.498 178.084 177.584 0.003 0.000 1.076 194 A CA 0.455 52.495 52.037 0.006 0.000 0.767 194 A CB 0.030 19.030 19.000 -0.001 0.000 1.012 194 A HN 0.968 nan 8.150 nan 0.000 0.512 202 S N 0.286 115.974 115.700 -0.021 0.000 2.524 202 S HA 0.176 4.646 4.470 -0.000 0.000 0.216 202 S C 0.525 175.096 174.600 -0.048 0.000 0.987 202 S CA 0.029 58.214 58.200 -0.025 0.000 0.909 202 S CB -0.177 63.016 63.200 -0.012 0.000 0.781 202 S HN 0.309 nan 8.310 nan 0.000 0.521 203 N N 1.900 120.558 118.700 -0.070 0.000 2.444 203 N HA 0.518 5.258 4.740 -0.000 0.000 0.255 203 N C 0.216 175.645 175.510 -0.135 0.000 1.255 203 N CA 0.269 53.236 53.050 -0.138 0.000 0.933 203 N CB 0.436 38.805 38.487 -0.198 0.000 1.143 203 N HN 0.355 nan 8.380 nan 0.000 0.453 204 G N -1.541 107.132 108.800 -0.213 0.000 2.568 204 G HA2 0.434 4.394 3.960 -0.000 0.000 0.313 204 G HA3 0.434 4.394 3.960 -0.000 0.000 0.313 204 G C -0.761 174.023 174.900 -0.193 0.000 1.227 204 G CA -0.416 44.590 45.100 -0.155 0.000 0.979 204 G HN 0.402 nan 8.290 nan 0.000 0.486 205 T N -1.679 112.855 114.554 -0.033 0.000 2.882 205 T HA 0.429 4.779 4.350 -0.000 0.000 0.287 205 T C 1.517 176.282 174.700 0.110 0.000 0.992 205 T CA 0.408 62.523 62.100 0.025 0.000 1.076 205 T CB 0.954 69.897 68.868 0.126 0.000 0.961 205 T HN 0.717 nan 8.240 nan 0.000 0.490 206 T N 0.927 115.532 114.554 0.085 0.000 3.040 206 T HA 0.199 4.549 4.350 -0.000 0.000 0.250 206 T C 1.453 176.330 174.700 0.294 0.000 1.058 206 T CA 0.179 62.418 62.100 0.231 0.000 0.988 206 T CB -0.079 68.853 68.868 0.107 0.000 0.993 206 T HN 0.748 nan 8.240 nan 0.000 0.519 207 E N 1.311 121.614 120.200 0.171 0.000 2.033 207 E HA -0.304 4.046 4.350 -0.000 0.000 0.199 207 E C 1.812 178.405 176.600 -0.011 0.000 1.011 207 E CA 1.905 58.321 56.400 0.028 0.000 0.815 207 E CB -0.224 29.402 29.700 -0.123 0.000 0.755 207 E HN 0.767 nan 8.360 nan 0.000 0.451 208 H N -1.166 118.016 119.070 0.186 0.000 2.389 208 H HA -0.057 4.499 4.556 -0.000 0.000 0.299 208 H C 1.650 177.093 175.328 0.192 0.000 1.081 208 H CA 1.447 57.589 56.048 0.156 0.000 1.345 208 H CB -0.347 29.501 29.762 0.144 0.000 1.393 208 H HN 0.250 nan 8.280 nan 0.000 0.520 209 F N 1.784 121.911 119.950 0.295 0.000 2.102 209 F HA -0.243 4.284 4.527 -0.000 0.000 0.298 209 F C 2.259 178.219 175.800 0.266 0.000 1.105 209 F CA 1.689 59.871 58.000 0.303 0.000 1.239 209 F CB -0.344 38.834 39.000 0.296 0.000 0.991 209 F HN 0.069 nan 8.300 nan 0.000 0.474 210 N N 0.330 119.187 118.700 0.263 0.000 2.166 210 N HA -0.199 4.541 4.740 -0.000 0.000 0.186 210 N C 1.651 177.136 175.510 -0.041 0.000 1.019 210 N CA 1.647 54.757 53.050 0.101 0.000 0.856 210 N CB -0.211 38.384 38.487 0.180 0.000 0.993 210 N HN 0.335 nan 8.380 nan 0.000 0.426 211 K N -0.278 120.096 120.400 -0.043 0.000 2.148 211 K HA -0.050 4.269 4.320 -0.000 0.000 0.204 211 K C 1.451 177.958 176.600 -0.155 0.000 1.050 211 K CA 1.113 57.354 56.287 -0.077 0.000 0.942 211 K CB 0.074 32.536 32.500 -0.063 0.000 0.724 211 K HN 0.256 nan 8.250 nan 0.000 0.446 212 K N -0.630 119.594 120.400 -0.295 0.000 2.352 212 K HA 0.084 4.404 4.320 -0.000 0.000 0.194 212 K C -0.140 175.982 176.600 -0.798 0.000 1.038 212 K CA 0.314 56.271 56.287 -0.550 0.000 1.023 212 K CB 0.477 32.550 32.500 -0.712 0.000 0.840 212 K HN 0.186 nan 8.250 nan 0.000 0.519 213 H N -0.585 118.261 119.070 -0.373 0.000 2.865 213 H HA 0.300 4.856 4.556 -0.000 0.000 0.372 213 H C -1.353 173.827 175.328 -0.248 0.000 1.173 213 H CA -1.123 54.699 56.048 -0.376 0.000 1.147 213 H CB 1.564 30.915 29.762 -0.686 0.000 1.805 213 H HN -0.187 nan 8.280 nan 0.000 0.553 214 D N 1.282 121.704 120.400 0.038 0.000 2.233 214 D HA 0.209 4.849 4.640 -0.000 0.000 0.240 214 D C -0.860 175.501 176.300 0.101 0.000 1.074 214 D CA -0.574 53.461 54.000 0.058 0.000 0.838 214 D CB 1.771 42.622 40.800 0.085 0.000 1.124 214 D HN 0.158 nan 8.370 nan 0.000 0.475 215 L N 3.649 124.949 121.223 0.128 0.000 2.272 215 L HA 0.453 4.793 4.340 -0.000 0.000 0.289 215 L C -1.210 175.729 176.870 0.114 0.000 1.032 215 L CA -0.472 54.486 54.840 0.197 0.000 0.810 215 L CB 1.402 43.641 42.059 0.300 0.000 1.205 215 L HN 0.109 nan 8.230 nan 0.000 0.422 216 V N 5.580 125.576 119.914 0.138 0.000 2.588 216 V HA 0.380 4.500 4.120 -0.000 0.000 0.304 216 V C -0.736 175.448 176.094 0.150 0.000 1.042 216 V CA -0.630 61.757 62.300 0.144 0.000 0.877 216 V CB 1.605 33.573 31.823 0.242 0.000 0.996 216 V HN 0.585 nan 8.190 nan 0.000 0.425 217 F N 4.947 124.911 119.950 0.024 0.000 2.391 217 F HA 0.667 5.194 4.527 -0.000 0.000 0.359 217 F C -0.129 175.623 175.800 -0.079 0.000 1.122 217 F CA -0.271 57.710 58.000 -0.030 0.000 1.120 217 F CB 1.219 40.192 39.000 -0.044 0.000 1.142 217 F HN 0.282 nan 8.300 nan 0.000 0.483 218 V N 6.512 126.109 119.914 -0.528 0.000 2.435 218 V HA 0.475 4.595 4.120 -0.000 0.000 0.290 218 V C -0.488 175.241 176.094 -0.609 0.000 1.030 218 V CA -0.904 61.062 62.300 -0.557 0.000 0.881 218 V CB 1.609 33.086 31.823 -0.578 0.000 0.983 218 V HN 0.701 nan 8.190 nan 0.000 0.445 219 K N 2.430 122.594 120.400 -0.393 0.000 2.498 219 K HA 0.655 4.975 4.320 -0.000 0.000 0.254 219 K C -0.477 176.095 176.600 -0.047 0.000 0.933 219 K CA -0.432 55.696 56.287 -0.264 0.000 0.806 219 K CB 2.404 34.898 32.500 -0.009 0.000 1.301 219 K HN 0.882 nan 8.250 nan 0.000 0.432 220 T N -1.339 113.362 114.554 0.246 0.000 2.948 220 T HA 0.187 4.537 4.350 -0.000 0.000 0.285 220 T C 0.932 175.729 174.700 0.162 0.000 1.019 220 T CA -0.487 61.715 62.100 0.169 0.000 1.013 220 T CB 1.060 70.008 68.868 0.134 0.000 1.117 220 T HN 0.689 nan 8.240 nan 0.000 0.533 221 D N 0.311 120.765 120.400 0.090 0.000 2.392 221 D HA -0.071 4.569 4.640 -0.000 0.000 0.228 221 D C 1.484 177.822 176.300 0.063 0.000 1.003 221 D CA 0.434 54.481 54.000 0.078 0.000 0.917 221 D CB -0.135 40.698 40.800 0.055 0.000 0.890 221 D HN 0.527 nan 8.370 nan 0.000 0.532 222 L N -0.262 120.979 121.223 0.030 0.000 2.529 222 L HA 0.084 4.424 4.340 -0.000 0.000 0.223 222 L C 0.914 177.744 176.870 -0.065 0.000 1.113 222 L CA -0.025 54.794 54.840 -0.036 0.000 0.861 222 L CB -0.208 41.791 42.059 -0.099 0.000 1.012 222 L HN 0.002 nan 8.230 nan 0.000 0.461 223 H N 2.432 121.525 119.070 0.038 0.000 2.722 223 H HA 0.168 4.724 4.556 -0.000 0.000 0.328 223 H C -1.948 173.439 175.328 0.099 0.000 1.067 223 H CA -1.452 54.626 56.048 0.050 0.000 1.447 223 H CB 0.814 30.607 29.762 0.051 0.000 1.469 223 H HN -0.031 nan 8.280 nan 0.000 0.544 224 P HA 0.063 nan 4.420 nan 0.000 0.271 224 P C -0.102 177.439 177.300 0.403 0.000 1.218 224 P CA -0.149 63.114 63.100 0.272 0.000 0.780 224 P CB 1.337 33.203 31.700 0.278 0.000 0.901 225 E N -0.135 120.250 120.200 0.308 0.000 2.473 225 E HA 0.082 4.432 4.350 -0.000 0.000 0.204 225 E C -0.404 176.284 176.600 0.146 0.000 0.994 225 E CA 0.176 56.720 56.400 0.239 0.000 0.945 225 E CB 0.406 30.189 29.700 0.138 0.000 0.990 225 E HN 0.505 nan 8.360 nan 0.000 0.493 226 D N 0.767 121.288 120.400 0.201 0.000 2.549 226 D HA 0.332 4.972 4.640 -0.000 0.000 0.251 226 D C -0.685 175.749 176.300 0.224 0.000 1.153 226 D CA -0.282 53.770 54.000 0.087 0.000 0.861 226 D CB 1.341 42.205 40.800 0.107 0.000 1.207 226 D HN -0.046 nan 8.370 nan 0.000 0.543 227 F N -1.958 118.055 119.950 0.104 0.000 2.744 227 F HA 0.374 4.901 4.527 -0.000 0.000 0.311 227 F C -1.115 174.739 175.800 0.091 0.000 1.144 227 F CA -1.023 57.040 58.000 0.104 0.000 0.938 227 F CB 0.934 40.009 39.000 0.124 0.000 1.292 227 F HN -0.125 nan 8.300 nan 0.000 0.444 228 T N 3.145 117.893 114.554 0.323 0.000 2.728 228 T HA 0.443 4.793 4.350 -0.000 0.000 0.296 228 T C -2.722 172.186 174.700 0.347 0.000 0.940 228 T CA -1.120 61.102 62.100 0.203 0.000 1.013 228 T CB 0.851 69.802 68.868 0.139 0.000 0.912 228 T HN 0.310 nan 8.240 nan 0.000 0.484 229 P HA 0.087 nan 4.420 nan 0.000 0.263 229 P C -0.441 176.908 177.300 0.082 0.000 1.195 229 P CA -0.146 63.133 63.100 0.297 0.000 0.762 229 P CB 0.391 32.201 31.700 0.182 0.000 0.799 230 Q N 3.703 123.511 119.800 0.013 0.000 2.506 230 Q HA 0.426 4.766 4.340 -0.000 0.000 0.242 230 Q C -0.292 175.434 176.000 -0.457 0.000 1.060 230 Q CA 0.117 55.796 55.803 -0.206 0.000 0.826 230 Q CB 0.981 29.705 28.738 -0.023 0.000 1.169 230 Q HN 0.532 nan 8.270 nan 0.000 0.521 231 M N 1.282 120.518 119.600 -0.607 0.000 2.662 231 M HA 0.557 5.036 4.480 -0.000 0.000 0.310 231 M C -0.695 175.077 176.300 -0.881 0.000 1.204 231 M CA -0.614 54.373 55.300 -0.521 0.000 0.891 231 M CB 1.654 34.090 32.600 -0.273 0.000 1.732 231 M HN 0.275 nan 8.290 nan 0.000 0.467 232 F N 1.766 121.693 119.950 -0.037 0.000 2.584 232 F HA 0.352 4.879 4.527 -0.000 0.000 0.328 232 F C -2.113 173.696 175.800 0.016 0.000 1.407 232 F CA -1.797 56.200 58.000 -0.006 0.000 1.145 232 F CB 0.044 39.040 39.000 -0.006 0.000 1.440 232 F HN 0.178 nan 8.300 nan 0.000 0.580 233 P HA 0.241 nan 4.420 nan 0.000 0.269 233 P C -0.240 177.104 177.300 0.073 0.000 1.215 233 P CA 0.165 63.301 63.100 0.059 0.000 0.780 233 P CB 1.889 33.613 31.700 0.040 0.000 0.898 234 S N 0.623 116.356 115.700 0.054 0.000 2.565 234 S HA 0.182 4.652 4.470 -0.000 0.000 0.269 234 S C 0.773 175.386 174.600 0.022 0.000 1.153 234 S CA -0.723 57.504 58.200 0.046 0.000 0.835 234 S CB 1.502 64.738 63.200 0.060 0.000 1.122 234 S HN 0.275 nan 8.310 nan 0.000 0.462 235 Q N 0.896 120.705 119.800 0.016 0.000 2.167 235 Q HA 0.021 4.361 4.340 -0.000 0.000 0.202 235 Q C 2.341 178.336 176.000 -0.008 0.000 0.970 235 Q CA 1.930 57.735 55.803 0.003 0.000 0.855 235 Q CB -0.869 27.871 28.738 0.004 0.000 0.911 235 Q HN 0.897 nan 8.270 nan 0.000 0.438 236 A N 1.319 124.138 122.820 -0.002 0.000 1.877 236 A HA -0.189 4.131 4.320 -0.000 0.000 0.216 236 A C 2.086 179.648 177.584 -0.036 0.000 1.186 236 A CA 1.559 53.587 52.037 -0.014 0.000 0.620 236 A CB -0.291 18.710 19.000 0.003 0.000 0.822 236 A HN 0.253 nan 8.150 nan 0.000 0.443 237 K N -0.348 120.039 120.400 -0.021 0.000 2.148 237 K HA 0.034 4.354 4.320 -0.000 0.000 0.204 237 K C 2.276 178.828 176.600 -0.080 0.000 1.050 237 K CA 0.896 57.155 56.287 -0.047 0.000 0.942 237 K CB -0.277 32.218 32.500 -0.008 0.000 0.724 237 K HN 0.437 nan 8.250 nan 0.000 0.446 238 A N 1.949 124.739 122.820 -0.050 0.000 1.877 238 A HA -0.225 4.095 4.320 -0.000 0.000 0.216 238 A C 2.064 179.609 177.584 -0.065 0.000 1.186 238 A CA 1.670 53.679 52.037 -0.047 0.000 0.620 238 A CB -0.358 18.630 19.000 -0.019 0.000 0.822 238 A HN 0.204 nan 8.150 nan 0.000 0.443 239 K N -0.390 119.969 120.400 -0.069 0.000 2.057 239 K HA -0.036 4.284 4.320 -0.000 0.000 0.206 239 K C 1.913 178.428 176.600 -0.142 0.000 1.050 239 K CA 1.183 57.423 56.287 -0.079 0.000 0.935 239 K CB -0.289 32.174 32.500 -0.061 0.000 0.715 239 K HN 0.484 nan 8.250 nan 0.000 0.439 240 L N 0.754 121.843 121.223 -0.223 0.000 2.017 240 L HA -0.210 4.130 4.340 -0.000 0.000 0.208 240 L C 2.492 179.078 176.870 -0.473 0.000 1.073 240 L CA 0.641 55.193 54.840 -0.481 0.000 0.745 240 L CB -0.443 41.249 42.059 -0.612 0.000 0.894 240 L HN 0.249 nan 8.230 nan 0.000 0.432 241 L N 0.121 121.192 121.223 -0.254 0.000 2.046 241 L HA -0.204 4.136 4.340 -0.000 0.000 0.208 241 L C 2.758 179.671 176.870 0.072 0.000 1.077 241 L CA 1.660 56.451 54.840 -0.081 0.000 0.747 241 L CB -0.576 41.467 42.059 -0.025 0.000 0.896 241 L HN 0.125 nan 8.230 nan 0.000 0.432 242 R N -0.627 119.879 120.500 0.009 0.000 2.073 242 R HA -0.178 4.162 4.340 -0.000 0.000 0.234 242 R C 1.879 178.216 176.300 0.062 0.000 1.134 242 R CA 1.990 58.113 56.100 0.038 0.000 0.952 242 R CB -0.353 29.937 30.300 -0.016 0.000 0.850 242 R HN 0.401 nan 8.270 nan 0.000 0.433 243 D N 0.291 120.687 120.400 -0.007 0.000 2.144 243 D HA -0.116 4.524 4.640 -0.000 0.000 0.199 243 D C 1.747 178.080 176.300 0.055 0.000 0.984 243 D CA 1.429 55.434 54.000 0.008 0.000 0.834 243 D CB -0.268 40.513 40.800 -0.031 0.000 0.955 243 D HN 0.423 nan 8.370 nan 0.000 0.465 244 A N 0.351 123.192 122.820 0.034 0.000 1.877 244 A HA -0.162 4.158 4.320 -0.000 0.000 0.216 244 A C 2.086 179.703 177.584 0.056 0.000 1.186 244 A CA 0.979 53.075 52.037 0.098 0.000 0.620 244 A CB -1.011 18.061 19.000 0.120 0.000 0.822 244 A HN 0.126 nan 8.150 nan 0.000 0.443 245 F N 0.518 120.487 119.950 0.031 0.000 2.134 245 F HA -0.163 4.364 4.527 -0.000 0.000 0.299 245 F C 2.238 178.086 175.800 0.079 0.000 1.097 245 F CA 1.941 59.972 58.000 0.053 0.000 1.264 245 F CB -0.497 38.491 39.000 -0.019 0.000 1.001 245 F HN 0.318 nan 8.300 nan 0.000 0.479 246 N N -0.373 118.460 118.700 0.222 0.000 2.309 246 N HA -0.151 4.588 4.740 -0.000 0.000 0.182 246 N C 1.183 176.732 175.510 0.064 0.000 1.018 246 N CA 0.637 53.760 53.050 0.122 0.000 0.876 246 N CB -0.139 38.392 38.487 0.074 0.000 0.972 246 N HN 0.203 nan 8.380 nan 0.000 0.434 247 N N 1.085 119.832 118.700 0.079 0.000 2.463 247 N HA -0.044 4.696 4.740 -0.000 0.000 0.181 247 N C 0.931 176.477 175.510 0.060 0.000 1.078 247 N CA 0.505 53.589 53.050 0.056 0.000 0.902 247 N CB 0.119 38.653 38.487 0.079 0.000 0.970 247 N HN 0.295 nan 8.380 nan 0.000 0.451 248 E N 0.878 121.139 120.200 0.102 0.000 2.333 248 E HA -0.174 4.175 4.350 -0.000 0.000 0.198 248 E C 1.471 178.112 176.600 0.068 0.000 1.007 248 E CA 0.417 56.907 56.400 0.151 0.000 0.845 248 E CB 0.113 29.985 29.700 0.285 0.000 0.766 248 E HN 0.582 nan 8.360 nan 0.000 0.507 249 E N 1.029 121.142 120.200 -0.146 0.000 2.152 249 E HA -0.123 4.227 4.350 -0.000 0.000 0.192 249 E C 0.467 176.948 176.600 -0.199 0.000 0.983 249 E CA 0.319 56.386 56.400 -0.555 0.000 0.818 249 E CB 0.233 29.422 29.700 -0.852 0.000 0.758 249 E HN -0.067 nan 8.360 nan 0.000 0.467 250 D N 0.945 121.296 120.400 -0.082 0.000 2.339 250 D HA -0.052 4.588 4.640 -0.000 0.000 0.241 250 D C 0.686 177.001 176.300 0.024 0.000 1.183 250 D CA -0.003 53.986 54.000 -0.019 0.000 0.859 250 D CB 1.000 41.798 40.800 -0.003 0.000 1.067 250 D HN 0.330 nan 8.370 nan 0.000 0.484 251 E N 2.183 122.402 120.200 0.031 0.000 2.333 251 E HA -0.235 4.115 4.350 -0.000 0.000 0.198 251 E C 0.767 177.400 176.600 0.056 0.000 1.007 251 E CA 0.814 57.240 56.400 0.043 0.000 0.845 251 E CB 0.089 29.811 29.700 0.037 0.000 0.766 251 E HN 0.336 nan 8.360 nan 0.000 0.507 252 D N 0.850 121.289 120.400 0.065 0.000 2.348 252 D HA -0.029 4.611 4.640 -0.000 0.000 0.211 252 D C -0.107 176.293 176.300 0.166 0.000 0.998 252 D CA 0.309 54.368 54.000 0.099 0.000 0.873 252 D CB 0.126 40.976 40.800 0.084 0.000 0.925 252 D HN -0.045 nan 8.370 nan 0.000 0.524 253 T N 1.251 115.885 114.554 0.134 0.000 2.934 253 T HA -0.028 4.322 4.350 -0.000 0.000 0.306 253 T C 0.028 174.903 174.700 0.292 0.000 1.042 253 T CA -0.075 62.127 62.100 0.170 0.000 1.145 253 T CB 0.054 68.988 68.868 0.109 0.000 0.982 253 T HN -0.078 nan 8.240 nan 0.000 0.544 254 F N 4.448 124.401 119.950 0.005 0.000 2.538 254 F HA 0.238 4.765 4.527 -0.000 0.000 0.371 254 F C -1.191 174.601 175.800 -0.013 0.000 1.087 254 F CA -2.393 55.604 58.000 -0.006 0.000 1.250 254 F CB 0.386 39.377 39.000 -0.014 0.000 1.110 254 F HN 0.467 nan 8.300 nan 0.000 0.570 255 P HA -0.180 nan 4.420 nan 0.000 0.219 255 P C 0.930 178.233 177.300 0.004 0.000 1.146 255 P CA 1.411 64.541 63.100 0.049 0.000 0.808 255 P CB 0.038 31.744 31.700 0.011 0.000 0.779 256 D N -0.115 120.291 120.400 0.010 0.000 2.392 256 D HA -0.126 4.514 4.640 -0.000 0.000 0.228 256 D C 1.236 177.392 176.300 -0.240 0.000 1.003 256 D CA 0.640 54.587 54.000 -0.088 0.000 0.917 256 D CB -1.060 39.718 40.800 -0.036 0.000 0.890 256 D HN 0.346 nan 8.370 nan 0.000 0.532 257 I N -3.389 117.092 120.570 -0.149 0.000 3.947 257 I HA 0.303 4.473 4.170 -0.000 0.000 0.327 257 I C -0.088 176.040 176.117 0.019 0.000 1.519 257 I CA -0.661 60.514 61.300 -0.208 0.000 1.122 257 I CB 0.076 38.100 38.000 0.041 0.000 1.146 257 I HN -0.204 nan 8.210 nan 0.000 0.442 258 L N 0.200 121.410 121.223 -0.023 0.000 2.448 258 L HA 0.392 4.732 4.340 -0.000 0.000 0.258 258 L C 1.717 178.610 176.870 0.038 0.000 1.104 258 L CA -0.738 54.139 54.840 0.061 0.000 0.800 258 L CB 1.643 43.748 42.059 0.076 0.000 1.241 258 L HN -0.076 nan 8.230 nan 0.000 0.472 259 V N 0.835 120.725 119.914 -0.041 0.000 2.282 259 V HA -0.200 3.919 4.120 -0.000 0.000 0.249 259 V C -0.757 175.273 176.094 -0.107 0.000 1.057 259 V CA 2.154 64.349 62.300 -0.176 0.000 1.032 259 V CB -1.595 29.874 31.823 -0.590 0.000 0.645 259 V HN 0.741 nan 8.190 nan 0.000 0.447 260 P HA -0.159 nan 4.420 nan 0.000 0.215 260 P C 1.696 178.940 177.300 -0.093 0.000 1.153 260 P CA 2.070 65.115 63.100 -0.092 0.000 0.853 260 P CB -0.168 31.468 31.700 -0.106 0.000 0.788 261 A N -1.692 121.058 122.820 -0.118 0.000 1.902 261 A HA -0.212 4.108 4.320 -0.000 0.000 0.217 261 A C 2.012 179.471 177.584 -0.208 0.000 1.181 261 A CA 1.444 53.369 52.037 -0.186 0.000 0.623 261 A CB -1.869 16.974 19.000 -0.262 0.000 0.818 261 A HN 0.124 nan 8.150 nan 0.000 0.443 262 Y N -0.587 119.664 120.300 -0.081 0.000 2.314 262 Y HA -0.066 4.484 4.550 -0.000 0.000 0.293 262 Y C 2.502 178.356 175.900 -0.077 0.000 1.129 262 Y CA 1.303 59.361 58.100 -0.070 0.000 1.201 262 Y CB -0.478 37.940 38.460 -0.069 0.000 0.999 262 Y HN 0.226 nan 8.280 nan 0.000 0.541 263 M N -1.069 118.545 119.600 0.023 0.000 2.086 263 M HA -0.232 4.248 4.480 -0.000 0.000 0.261 263 M C 2.045 178.269 176.300 -0.126 0.000 1.067 263 M CA 2.160 57.435 55.300 -0.041 0.000 1.116 263 M CB -0.633 31.916 32.600 -0.085 0.000 1.348 263 M HN 0.103 nan 8.290 nan 0.000 0.407 264 T N 0.661 115.058 114.554 -0.261 0.000 2.746 264 T HA -0.101 4.249 4.350 -0.000 0.000 0.267 264 T C 1.887 176.427 174.700 -0.267 0.000 1.039 264 T CA 1.523 63.336 62.100 -0.478 0.000 1.142 264 T CB -0.391 68.232 68.868 -0.409 0.000 0.866 264 T HN 0.496 nan 8.240 nan 0.000 0.444 265 A N 1.505 124.254 122.820 -0.118 0.000 1.902 265 A HA -0.203 4.117 4.320 -0.000 0.000 0.217 265 A C 2.163 179.741 177.584 -0.010 0.000 1.181 265 A CA 1.823 53.833 52.037 -0.045 0.000 0.623 265 A CB -0.956 18.056 19.000 0.021 0.000 0.818 265 A HN 0.716 nan 8.150 nan 0.000 0.443 266 H N -0.490 118.550 119.070 -0.051 0.000 2.353 266 H HA -0.086 4.469 4.556 -0.000 0.000 0.300 266 H C 2.275 177.564 175.328 -0.064 0.000 1.090 266 H CA 1.791 57.817 56.048 -0.037 0.000 1.327 266 H CB -0.157 29.593 29.762 -0.021 0.000 1.383 266 H HN 0.447 nan 8.280 nan 0.000 0.508 267 S N 0.081 115.668 115.700 -0.189 0.000 2.368 267 S HA -0.093 4.377 4.470 -0.000 0.000 0.225 267 S C 2.106 176.593 174.600 -0.188 0.000 1.030 267 S CA 1.198 59.262 58.200 -0.226 0.000 0.999 267 S CB -0.033 62.995 63.200 -0.286 0.000 0.844 267 S HN 0.474 nan 8.310 nan 0.000 0.459 268 K N 0.793 121.093 120.400 -0.168 0.000 2.097 268 K HA -0.101 4.218 4.320 -0.000 0.000 0.206 268 K C 2.059 178.596 176.600 -0.106 0.000 1.049 268 K CA 1.573 57.795 56.287 -0.109 0.000 0.933 268 K CB -0.284 32.164 32.500 -0.086 0.000 0.717 268 K HN 0.343 nan 8.250 nan 0.000 0.442 269 N N 1.311 119.930 118.700 -0.134 0.000 2.216 269 N HA -0.148 4.591 4.740 -0.000 0.000 0.183 269 N C 1.719 177.136 175.510 -0.156 0.000 1.017 269 N CA 0.953 53.927 53.050 -0.126 0.000 0.861 269 N CB 0.054 38.472 38.487 -0.115 0.000 0.986 269 N HN 0.061 nan 8.380 nan 0.000 0.428 270 R N 0.135 120.492 120.500 -0.237 0.000 2.091 270 R HA -0.092 4.248 4.340 -0.000 0.000 0.238 270 R C 1.668 177.982 176.300 0.023 0.000 1.136 270 R CA 1.803 57.800 56.100 -0.171 0.000 0.959 270 R CB -0.270 29.889 30.300 -0.236 0.000 0.856 270 R HN 0.294 nan 8.270 nan 0.000 0.437 271 V N -2.028 117.888 119.914 0.005 0.000 3.380 271 V HA 0.082 4.202 4.120 -0.000 0.000 0.268 271 V C 1.289 177.407 176.094 0.041 0.000 1.168 271 V CA 1.013 63.345 62.300 0.053 0.000 1.156 271 V CB -0.395 31.423 31.823 -0.009 0.000 0.785 271 V HN 0.224 nan 8.190 nan 0.000 0.487 272 R N -0.460 120.038 120.500 -0.003 0.000 2.472 272 R HA 0.324 4.664 4.340 -0.000 0.000 0.279 272 R C 0.629 176.914 176.300 -0.026 0.000 0.953 272 R CA -0.258 55.839 56.100 -0.004 0.000 1.088 272 R CB 0.281 30.570 30.300 -0.018 0.000 1.197 272 R HN 0.540 nan 8.270 nan 0.000 0.536 273 Q N 1.774 121.549 119.800 -0.041 0.000 2.361 273 Q HA -0.083 4.257 4.340 -0.000 0.000 0.276 273 Q C 1.088 177.052 176.000 -0.060 0.000 1.022 273 Q CA 0.134 55.883 55.803 -0.090 0.000 0.898 273 Q CB 0.844 29.480 28.738 -0.169 0.000 1.246 273 Q HN 0.207 nan 8.270 nan 0.000 0.410 274 E N 2.363 122.523 120.200 -0.066 0.000 2.170 274 E HA -0.162 4.187 4.350 -0.000 0.000 0.191 274 E C 0.269 176.857 176.600 -0.019 0.000 0.981 274 E CA 1.113 57.492 56.400 -0.034 0.000 0.830 274 E CB 0.074 29.759 29.700 -0.025 0.000 0.775 274 E HN 0.708 nan 8.360 nan 0.000 0.470 275 D N -0.565 119.811 120.400 -0.039 0.000 2.427 275 D HA 0.028 4.668 4.640 -0.000 0.000 0.224 275 D C -0.699 175.681 176.300 0.132 0.000 1.157 275 D CA -0.611 53.410 54.000 0.036 0.000 0.828 275 D CB -0.664 40.173 40.800 0.062 0.000 0.974 275 D HN 0.084 nan 8.370 nan 0.000 0.498 276 Y N 0.191 120.439 120.300 -0.086 0.000 2.399 276 Y HA 0.370 4.920 4.550 -0.000 0.000 0.327 276 Y C -1.379 174.529 175.900 0.013 0.000 1.111 276 Y CA -0.940 57.163 58.100 0.004 0.000 1.047 276 Y CB 1.972 40.369 38.460 -0.105 0.000 1.259 276 Y HN -0.237 nan 8.280 nan 0.000 0.434 277 T N 6.280 120.489 114.554 -0.575 0.000 2.801 277 T HA 0.362 4.712 4.350 -0.000 0.000 0.306 277 T C 0.007 174.163 174.700 -0.906 0.000 1.020 277 T CA -0.365 61.434 62.100 -0.502 0.000 0.948 277 T CB -0.788 67.934 68.868 -0.244 0.000 0.962 277 T HN 0.788 nan 8.240 nan 0.000 0.465 278 C N 4.108 122.978 119.300 -0.718 0.000 2.705 278 C HA 0.580 5.040 4.460 -0.000 0.000 0.382 278 C C 0.889 175.784 174.990 -0.159 0.000 1.322 278 C CA -1.312 57.441 59.018 -0.442 0.000 2.290 278 C CB -0.825 26.928 27.740 0.022 0.000 2.650 278 C HN 0.768 nan 8.230 nan 0.000 0.695 279 L N 1.511 122.725 121.223 -0.015 0.000 2.452 279 L HA 0.168 4.508 4.340 -0.000 0.000 0.267 279 L C 1.891 178.775 176.870 0.025 0.000 1.188 279 L CA 0.147 54.987 54.840 0.001 0.000 0.821 279 L CB 0.167 42.241 42.059 0.024 0.000 1.102 279 L HN 0.925 nan 8.230 nan 0.000 0.470 280 E N 1.173 121.366 120.200 -0.011 0.000 2.118 280 E HA -0.212 4.138 4.350 -0.000 0.000 0.195 280 E C 1.865 178.482 176.600 0.029 0.000 0.992 280 E CA 1.269 57.664 56.400 -0.008 0.000 0.804 280 E CB 0.186 29.856 29.700 -0.050 0.000 0.741 280 E HN 0.543 nan 8.360 nan 0.000 0.458 281 V N 0.668 120.558 119.914 -0.040 0.000 2.515 281 V HA -0.208 3.912 4.120 -0.000 0.000 0.250 281 V C 1.719 177.799 176.094 -0.022 0.000 1.058 281 V CA 1.975 64.199 62.300 -0.127 0.000 1.064 281 V CB -0.208 31.383 31.823 -0.385 0.000 0.675 281 V HN 0.288 nan 8.190 nan 0.000 0.461 282 E N -0.799 119.442 120.200 0.068 0.000 2.072 282 E HA -0.190 4.160 4.350 -0.000 0.000 0.190 282 E C 1.983 178.665 176.600 0.137 0.000 0.982 282 E CA 1.518 58.000 56.400 0.135 0.000 0.803 282 E CB -0.230 29.572 29.700 0.169 0.000 0.755 282 E HN 0.689 nan 8.360 nan 0.000 0.453 283 F N 2.408 122.366 119.950 0.014 0.000 2.102 283 F HA -0.214 4.313 4.527 -0.000 0.000 0.298 283 F C 1.749 177.551 175.800 0.003 0.000 1.105 283 F CA 1.646 59.652 58.000 0.009 0.000 1.239 283 F CB -0.038 38.953 39.000 -0.015 0.000 0.991 283 F HN -0.087 nan 8.300 nan 0.000 0.474 284 D N -0.484 120.088 120.400 0.287 0.000 2.144 284 D HA -0.133 4.507 4.640 -0.000 0.000 0.199 284 D C 2.462 178.776 176.300 0.024 0.000 0.984 284 D CA 1.436 55.532 54.000 0.160 0.000 0.834 284 D CB -0.407 40.456 40.800 0.104 0.000 0.955 284 D HN 0.249 nan 8.370 nan 0.000 0.465 285 S N 0.460 116.170 115.700 0.017 0.000 2.383 285 S HA -0.187 4.283 4.470 -0.000 0.000 0.227 285 S C 1.877 176.421 174.600 -0.094 0.000 1.026 285 S CA 0.969 59.157 58.200 -0.020 0.000 0.981 285 S CB -0.092 63.144 63.200 0.060 0.000 0.818 285 S HN 0.194 nan 8.310 nan 0.000 0.472 286 Q N 1.438 121.203 119.800 -0.058 0.000 2.050 286 Q HA -0.077 4.263 4.340 -0.000 0.000 0.202 286 Q C 1.965 177.883 176.000 -0.136 0.000 0.980 286 Q CA 1.725 57.506 55.803 -0.037 0.000 0.840 286 Q CB -0.570 28.113 28.738 -0.092 0.000 0.898 286 Q HN 0.344 nan 8.270 nan 0.000 0.424 287 V N 0.771 120.571 119.914 -0.190 0.000 2.295 287 V HA -0.272 3.848 4.120 -0.000 0.000 0.246 287 V C 2.312 178.336 176.094 -0.118 0.000 1.049 287 V CA 1.824 64.038 62.300 -0.145 0.000 1.024 287 V CB -1.365 30.401 31.823 -0.094 0.000 0.648 287 V HN 0.538 nan 8.190 nan 0.000 0.447 288 A N -0.305 122.441 122.820 -0.123 0.000 1.877 288 A HA -0.133 4.186 4.320 -0.000 0.000 0.216 288 A C 2.190 179.646 177.584 -0.213 0.000 1.186 288 A CA 1.554 53.517 52.037 -0.123 0.000 0.620 288 A CB -0.507 18.436 19.000 -0.094 0.000 0.822 288 A HN 0.390 nan 8.150 nan 0.000 0.443 289 L N -0.262 120.712 121.223 -0.416 0.000 2.141 289 L HA -0.114 4.226 4.340 -0.000 0.000 0.209 289 L C 2.357 178.882 176.870 -0.575 0.000 1.094 289 L CA 1.747 56.129 54.840 -0.763 0.000 0.763 289 L CB -1.371 39.621 42.059 -1.780 0.000 0.908 289 L HN 0.545 nan 8.230 nan 0.000 0.437 290 E N -0.254 119.767 120.200 -0.297 0.000 2.110 290 E HA -0.222 4.128 4.350 -0.000 0.000 0.193 290 E C 2.126 178.714 176.600 -0.020 0.000 0.988 290 E CA 1.044 57.450 56.400 0.009 0.000 0.804 290 E CB 0.146 29.884 29.700 0.062 0.000 0.745 290 E HN 0.439 nan 8.360 nan 0.000 0.458 291 K N 0.456 120.820 120.400 -0.061 0.000 2.025 291 K HA -0.116 4.204 4.320 -0.000 0.000 0.207 291 K C 2.248 178.828 176.600 -0.033 0.000 1.049 291 K CA 0.918 57.180 56.287 -0.041 0.000 0.933 291 K CB -0.148 32.328 32.500 -0.040 0.000 0.714 291 K HN 0.082 nan 8.250 nan 0.000 0.438 292 L N 0.776 121.984 121.223 -0.025 0.000 2.042 292 L HA -0.198 4.142 4.340 -0.000 0.000 0.210 292 L C 2.712 179.631 176.870 0.083 0.000 1.076 292 L CA 1.202 56.087 54.840 0.075 0.000 0.749 292 L CB -0.309 41.780 42.059 0.050 0.000 0.893 292 L HN 0.291 nan 8.230 nan 0.000 0.432 293 M N -0.398 119.227 119.600 0.042 0.000 2.159 293 M HA -0.198 4.282 4.480 -0.000 0.000 0.263 293 M C 1.815 178.148 176.300 0.056 0.000 1.063 293 M CA 1.644 56.999 55.300 0.092 0.000 1.110 293 M CB -0.125 32.581 32.600 0.176 0.000 1.374 293 M HN 0.305 nan 8.290 nan 0.000 0.411 294 N N 0.132 118.843 118.700 0.018 0.000 2.409 294 N HA -0.087 4.653 4.740 -0.000 0.000 0.179 294 N C 1.074 176.547 175.510 -0.062 0.000 1.032 294 N CA 1.085 54.128 53.050 -0.012 0.000 0.898 294 N CB -0.020 38.458 38.487 -0.014 0.000 0.971 294 N HN 0.583 nan 8.380 nan 0.000 0.441 295 E N -0.593 119.532 120.200 -0.125 0.000 2.307 295 E HA 0.048 4.398 4.350 -0.000 0.000 0.195 295 E C -0.121 176.231 176.600 -0.412 0.000 0.975 295 E CA 0.418 56.644 56.400 -0.290 0.000 0.878 295 E CB 0.355 29.803 29.700 -0.421 0.000 0.845 295 E HN 0.326 nan 8.360 nan 0.000 0.488 296 H N 0.849 119.919 119.070 -0.000 0.000 2.539 296 H HA 0.079 4.635 4.556 -0.000 0.000 0.332 296 H C 0.694 176.029 175.328 0.012 0.000 1.031 296 H CA -0.207 55.843 56.048 0.003 0.000 1.206 296 H CB 1.612 31.375 29.762 0.001 0.000 1.446 296 H HN 0.110 nan 8.280 nan 0.000 0.496 297 E N 3.182 123.452 120.200 0.116 0.000 2.204 297 E HA -0.176 4.174 4.350 -0.000 0.000 0.195 297 E C 0.533 177.183 176.600 0.084 0.000 0.990 297 E CA 1.164 57.609 56.400 0.074 0.000 0.821 297 E CB 0.346 30.073 29.700 0.046 0.000 0.750 297 E HN 0.680 nan 8.360 nan 0.000 0.477 298 Q N -0.044 119.814 119.800 0.097 0.000 2.297 298 Q HA 0.021 4.360 4.340 -0.000 0.000 0.204 298 Q C 0.411 176.463 176.000 0.087 0.000 0.962 298 Q CA 0.505 56.352 55.803 0.073 0.000 0.879 298 Q CB 0.507 29.267 28.738 0.038 0.000 0.947 298 Q HN 0.049 nan 8.270 nan 0.000 0.462 299 V N 1.947 121.927 119.914 0.110 0.000 2.339 299 V HA 0.024 4.144 4.120 -0.000 0.000 0.261 299 V C 0.497 176.668 176.094 0.127 0.000 1.058 299 V CA 0.236 62.606 62.300 0.117 0.000 0.897 299 V CB 0.984 32.879 31.823 0.119 0.000 1.052 299 V HN 0.251 nan 8.190 nan 0.000 0.480 300 E N 3.278 123.554 120.200 0.126 0.000 2.190 300 E HA 0.335 4.685 4.350 -0.000 0.000 0.191 300 E C 1.017 177.677 176.600 0.100 0.000 0.978 300 E CA 0.714 57.178 56.400 0.106 0.000 0.839 300 E CB 0.589 30.352 29.700 0.106 0.000 0.787 300 E HN 0.829 nan 8.360 nan 0.000 0.473 301 G N 0.202 109.089 108.800 0.145 0.000 2.451 301 G HA2 0.452 4.412 3.960 -0.000 0.000 0.292 301 G HA3 0.452 4.412 3.960 -0.000 0.000 0.292 301 G C -1.705 173.342 174.900 0.246 0.000 1.427 301 G CA -0.708 44.471 45.100 0.131 0.000 0.792 301 G HN 0.109 nan 8.290 nan 0.000 0.498 302 F N -1.673 118.281 119.950 0.006 0.000 2.842 302 F HA 0.828 5.355 4.527 -0.000 0.000 0.319 302 F C -1.352 174.457 175.800 0.014 0.000 1.159 302 F CA -1.147 56.853 58.000 0.001 0.000 0.902 302 F CB 1.463 40.455 39.000 -0.013 0.000 1.311 302 F HN 0.841 nan 8.300 nan 0.000 0.453 303 E N 0.993 121.237 120.200 0.074 0.000 2.291 303 E HA 0.573 4.923 4.350 -0.000 0.000 0.276 303 E C -1.586 175.108 176.600 0.156 0.000 0.896 303 E CA -1.296 55.124 56.400 0.034 0.000 0.774 303 E CB 2.390 32.138 29.700 0.079 0.000 1.227 303 E HN 1.136 nan 8.360 nan 0.000 0.413 304 V N 0.891 120.917 119.914 0.186 0.000 2.649 304 V HA 0.470 4.590 4.120 -0.000 0.000 0.292 304 V C -0.327 175.838 176.094 0.118 0.000 1.055 304 V CA -0.106 62.279 62.300 0.142 0.000 1.023 304 V CB 0.894 32.817 31.823 0.166 0.000 0.992 304 V HN 0.841 nan 8.190 nan 0.000 0.480 305 Q N 2.084 121.930 119.800 0.077 0.000 2.605 305 Q HA 0.411 4.751 4.340 -0.000 0.000 0.296 305 Q C 0.367 176.395 176.000 0.047 0.000 1.056 305 Q CA -0.889 54.975 55.803 0.100 0.000 0.778 305 Q CB 2.362 31.179 28.738 0.132 0.000 1.497 305 Q HN 0.724 nan 8.270 nan 0.000 0.443 306 Q N -0.001 119.753 119.800 -0.078 0.000 2.119 306 Q HA -0.071 4.269 4.340 -0.000 0.000 0.201 306 Q C 1.520 177.325 176.000 -0.324 0.000 0.972 306 Q CA 1.625 57.234 55.803 -0.324 0.000 0.847 306 Q CB -0.060 28.166 28.738 -0.854 0.000 0.903 306 Q HN 0.842 nan 8.270 nan 0.000 0.433 307 G N -0.881 107.799 108.800 -0.200 0.000 3.042 307 G HA2 0.403 4.363 3.960 -0.000 0.000 0.212 307 G HA3 0.403 4.363 3.960 -0.000 0.000 0.212 307 G C 0.340 175.307 174.900 0.111 0.000 1.166 307 G CA 0.407 45.613 45.100 0.176 0.000 0.767 307 G HN 0.450 nan 8.290 nan 0.000 0.546 308 G N -0.557 108.096 108.800 -0.246 0.000 2.367 308 G HA2 0.350 4.310 3.960 -0.000 0.000 0.272 308 G HA3 0.350 4.310 3.960 -0.000 0.000 0.272 308 G C -1.881 172.568 174.900 -0.751 0.000 1.271 308 G CA -0.843 43.691 45.100 -0.942 0.000 0.893 308 G HN 0.299 nan 8.290 nan 0.000 0.485 309 I N 0.449 120.461 120.570 -0.929 0.000 2.499 309 I HA 0.468 4.638 4.170 -0.000 0.000 0.288 309 I C -0.906 174.881 176.117 -0.551 0.000 1.048 309 I CA -0.751 60.252 61.300 -0.497 0.000 1.062 309 I CB 2.061 39.890 38.000 -0.286 0.000 1.238 309 I HN 0.391 nan 8.210 nan 0.000 0.426 310 L N 8.240 129.307 121.223 -0.260 0.000 2.260 310 L HA 0.562 4.901 4.340 -0.000 0.000 0.289 310 L C -0.587 176.303 176.870 0.034 0.000 1.057 310 L CA -0.066 54.716 54.840 -0.097 0.000 0.811 310 L CB 1.125 43.187 42.059 0.004 0.000 1.184 310 L HN 0.352 nan 8.230 nan 0.000 0.429 311 V N 4.541 124.493 119.914 0.062 0.000 2.604 311 V HA 0.797 4.917 4.120 -0.000 0.000 0.305 311 V C 0.028 176.213 176.094 0.152 0.000 1.043 311 V CA -0.688 61.694 62.300 0.135 0.000 0.888 311 V CB 1.579 33.470 31.823 0.113 0.000 0.995 311 V HN 0.894 nan 8.190 nan 0.000 0.429 312 A N 5.824 128.736 122.820 0.154 0.000 2.258 312 A HA 0.864 5.184 4.320 -0.000 0.000 0.316 312 A C -0.761 176.898 177.584 0.126 0.000 1.279 312 A CA -0.367 51.750 52.037 0.133 0.000 0.876 312 A CB 0.344 19.383 19.000 0.064 0.000 1.170 312 A HN 0.781 nan 8.150 nan 0.000 0.520 313 L N 1.717 123.021 121.223 0.135 0.000 2.303 313 L HA 0.480 4.820 4.340 -0.000 0.000 0.266 313 L C 0.364 177.314 176.870 0.133 0.000 1.011 313 L CA -1.062 53.854 54.840 0.127 0.000 0.818 313 L CB 1.643 43.771 42.059 0.115 0.000 1.326 313 L HN 0.634 nan 8.230 nan 0.000 0.435 314 K N 0.858 121.321 120.400 0.104 0.000 2.414 314 K HA 0.039 4.359 4.320 -0.000 0.000 0.272 314 K C -0.260 176.361 176.600 0.035 0.000 0.993 314 K CA -0.351 55.969 56.287 0.056 0.000 0.964 314 K CB 0.426 32.947 32.500 0.036 0.000 0.925 314 K HN 0.263 nan 8.250 nan 0.000 0.487 315 K N 2.381 122.765 120.400 -0.027 0.000 2.530 315 K HA -0.165 4.154 4.320 -0.000 0.000 0.280 315 K C -0.320 176.324 176.600 0.074 0.000 1.004 315 K CA 1.105 57.394 56.287 0.003 0.000 1.071 315 K CB -0.048 32.423 32.500 -0.049 0.000 0.876 315 K HN 0.627 nan 8.250 nan 0.000 0.487 316 D N 1.531 122.026 120.400 0.159 0.000 2.911 316 D HA -0.187 4.453 4.640 -0.000 0.000 0.199 316 D C 0.512 176.973 176.300 0.268 0.000 1.041 316 D CA 1.510 55.683 54.000 0.289 0.000 1.013 316 D CB -1.236 39.682 40.800 0.196 0.000 1.093 316 D HN 0.517 nan 8.370 nan 0.000 0.431 317 S N -0.664 115.126 115.700 0.149 0.000 2.474 317 S HA -0.070 4.400 4.470 -0.000 0.000 0.235 317 S C 1.424 176.040 174.600 0.028 0.000 0.997 317 S CA 0.655 58.902 58.200 0.079 0.000 0.949 317 S CB -0.224 63.005 63.200 0.048 0.000 0.766 317 S HN 0.472 nan 8.310 nan 0.000 0.517 318 F N 1.402 121.268 119.950 -0.139 0.000 2.269 318 F HA -0.042 4.485 4.527 -0.000 0.000 0.301 318 F C 0.954 176.472 175.800 -0.469 0.000 1.082 318 F CA 1.115 58.906 58.000 -0.348 0.000 1.360 318 F CB -0.263 38.432 39.000 -0.509 0.000 1.041 318 F HN 0.157 nan 8.300 nan 0.000 0.512 319 F N -0.049 119.872 119.950 -0.049 0.000 2.692 319 F HA 0.122 4.649 4.527 -0.000 0.000 0.303 319 F C 0.631 176.335 175.800 -0.161 0.000 1.114 319 F CA -0.133 57.786 58.000 -0.134 0.000 1.361 319 F CB -0.533 38.483 39.000 0.026 0.000 1.063 319 F HN -0.151 nan 8.300 nan 0.000 0.550 320 D N 0.625 120.975 120.400 -0.083 0.000 2.456 320 D HA 0.035 4.675 4.640 -0.000 0.000 0.219 320 D C 0.715 176.902 176.300 -0.188 0.000 1.126 320 D CA 0.053 53.998 54.000 -0.092 0.000 0.890 320 D CB 0.596 41.351 40.800 -0.076 0.000 1.025 320 D HN 0.045 nan 8.370 nan 0.000 0.511 321 D N 2.361 122.664 120.400 -0.161 0.000 2.158 321 D HA -0.174 4.466 4.640 -0.000 0.000 0.197 321 D C 1.559 177.749 176.300 -0.183 0.000 0.995 321 D CA 1.052 54.936 54.000 -0.192 0.000 0.846 321 D CB 0.414 41.137 40.800 -0.127 0.000 0.941 321 D HN 0.504 nan 8.370 nan 0.000 0.456 322 E N 0.025 120.144 120.200 -0.136 0.000 2.077 322 E HA -0.141 4.209 4.350 -0.000 0.000 0.193 322 E C 2.201 178.700 176.600 -0.168 0.000 0.989 322 E CA 0.313 56.641 56.400 -0.121 0.000 0.800 322 E CB -0.448 29.203 29.700 -0.082 0.000 0.746 322 E HN 0.265 nan 8.360 nan 0.000 0.452 323 L N 1.075 122.176 121.223 -0.203 0.000 2.027 323 L HA -0.132 4.208 4.340 -0.000 0.000 0.206 323 L C 2.158 178.854 176.870 -0.291 0.000 1.074 323 L CA 1.278 55.956 54.840 -0.269 0.000 0.745 323 L CB -0.457 41.462 42.059 -0.232 0.000 0.898 323 L HN 0.018 nan 8.230 nan 0.000 0.433 324 I N -0.023 120.327 120.570 -0.366 0.000 2.208 324 I HA -0.308 3.861 4.170 -0.000 0.000 0.245 324 I C 2.559 178.442 176.117 -0.390 0.000 1.097 324 I CA 1.645 62.597 61.300 -0.579 0.000 1.363 324 I CB -1.254 36.258 38.000 -0.813 0.000 1.051 324 I HN 0.530 nan 8.210 nan 0.000 0.413 325 E N 1.144 121.189 120.200 -0.257 0.000 2.077 325 E HA -0.227 4.123 4.350 -0.000 0.000 0.193 325 E C 2.151 178.707 176.600 -0.073 0.000 0.989 325 E CA 1.185 57.505 56.400 -0.133 0.000 0.800 325 E CB 0.133 29.770 29.700 -0.104 0.000 0.746 325 E HN 0.428 nan 8.360 nan 0.000 0.452 326 K N 0.154 120.491 120.400 -0.104 0.000 2.097 326 K HA -0.108 4.212 4.320 -0.000 0.000 0.206 326 K C 2.166 178.754 176.600 -0.020 0.000 1.049 326 K CA 1.237 57.486 56.287 -0.062 0.000 0.933 326 K CB -0.066 32.352 32.500 -0.136 0.000 0.717 326 K HN 0.226 nan 8.250 nan 0.000 0.442 327 I N 0.922 121.474 120.570 -0.029 0.000 2.252 327 I HA -0.259 3.910 4.170 -0.000 0.000 0.245 327 I C 2.512 178.716 176.117 0.144 0.000 1.102 327 I CA 1.038 62.381 61.300 0.072 0.000 1.385 327 I CB -0.388 37.716 38.000 0.172 0.000 1.064 327 I HN 0.141 nan 8.210 nan 0.000 0.414 328 A N 1.057 124.010 122.820 0.221 0.000 1.902 328 A HA -0.165 4.155 4.320 -0.000 0.000 0.217 328 A C 2.295 179.935 177.584 0.092 0.000 1.181 328 A CA 1.464 53.630 52.037 0.216 0.000 0.623 328 A CB -0.784 18.367 19.000 0.251 0.000 0.818 328 A HN 0.377 nan 8.150 nan 0.000 0.443 329 I N -0.360 120.246 120.570 0.059 0.000 2.226 329 I HA -0.266 3.904 4.170 -0.000 0.000 0.245 329 I C 2.972 179.107 176.117 0.030 0.000 1.100 329 I CA 0.985 62.307 61.300 0.036 0.000 1.374 329 I CB -0.335 37.680 38.000 0.025 0.000 1.057 329 I HN 0.365 nan 8.210 nan 0.000 0.413 330 A N 1.079 123.918 122.820 0.032 0.000 1.902 330 A HA -0.177 4.143 4.320 -0.000 0.000 0.217 330 A C 2.296 179.882 177.584 0.003 0.000 1.181 330 A CA 1.508 53.555 52.037 0.018 0.000 0.623 330 A CB -0.802 18.209 19.000 0.018 0.000 0.818 330 A HN 0.370 nan 8.150 nan 0.000 0.443 331 I N -0.351 120.222 120.570 0.004 0.000 2.226 331 I HA -0.273 3.896 4.170 -0.000 0.000 0.245 331 I C 2.947 179.066 176.117 0.003 0.000 1.100 331 I CA 1.067 62.362 61.300 -0.008 0.000 1.374 331 I CB -0.301 37.690 38.000 -0.015 0.000 1.057 331 I HN 0.367 nan 8.210 nan 0.000 0.413 332 A N 0.138 122.967 122.820 0.015 0.000 1.930 332 A HA -0.173 4.147 4.320 -0.000 0.000 0.217 332 A C 2.357 179.947 177.584 0.011 0.000 1.175 332 A CA 2.211 54.257 52.037 0.015 0.000 0.627 332 A CB -0.973 18.041 19.000 0.023 0.000 0.815 332 A HN 0.364 nan 8.150 nan 0.000 0.443 333 T N -0.036 114.525 114.554 0.012 0.000 2.788 333 T HA -0.085 4.265 4.350 -0.000 0.000 0.268 333 T C 1.672 176.379 174.700 0.011 0.000 1.044 333 T CA 1.510 63.617 62.100 0.011 0.000 1.139 333 T CB -0.140 68.735 68.868 0.011 0.000 0.867 333 T HN 0.449 nan 8.240 nan 0.000 0.454 334 E N 1.139 121.344 120.200 0.010 0.000 2.318 334 E HA 0.131 4.481 4.350 -0.000 0.000 0.193 334 E C 1.159 177.774 176.600 0.025 0.000 0.998 334 E CA 0.022 56.433 56.400 0.019 0.000 0.859 334 E CB -0.140 29.567 29.700 0.012 0.000 0.812 334 E HN 0.269 nan 8.360 nan 0.000 0.492 335 S N 1.591 117.298 115.700 0.011 0.000 2.516 335 S HA 0.007 4.477 4.470 -0.000 0.000 0.282 335 S C 1.394 175.995 174.600 0.002 0.000 1.286 335 S CA -0.390 57.812 58.200 0.003 0.000 1.066 335 S CB 0.585 63.777 63.200 -0.014 0.000 0.884 335 S HN 0.231 nan 8.310 nan 0.000 0.491 336 R N 3.708 124.208 120.500 -0.001 0.000 2.189 336 R HA 0.026 4.366 4.340 -0.000 0.000 0.223 336 R C 0.253 176.545 176.300 -0.014 0.000 1.092 336 R CA 0.730 56.825 56.100 -0.009 0.000 0.989 336 R CB -0.146 30.142 30.300 -0.021 0.000 0.876 336 R HN 0.627 nan 8.270 nan 0.000 0.457 337 Q N 1.237 121.027 119.800 -0.018 0.000 2.235 337 Q HA 0.299 4.639 4.340 -0.000 0.000 0.256 337 Q C -0.839 175.155 176.000 -0.011 0.000 0.951 337 Q CA -0.763 55.031 55.803 -0.016 0.000 0.890 337 Q CB 2.211 30.936 28.738 -0.021 0.000 1.279 337 Q HN 0.061 nan 8.270 nan 0.000 0.444 338 S N 1.183 116.880 115.700 -0.005 0.000 2.525 338 S HA 0.111 4.581 4.470 -0.000 0.000 0.285 338 S C -0.047 174.555 174.600 0.002 0.000 1.283 338 S CA -0.443 57.757 58.200 0.000 0.000 1.072 338 S CB 0.356 63.558 63.200 0.003 0.000 0.867 338 S HN 0.289 nan 8.310 nan 0.000 0.492 339 V N 3.615 123.532 119.914 0.005 0.000 2.644 339 V HA 0.300 4.420 4.120 -0.000 0.000 0.295 339 V C 1.132 177.238 176.094 0.019 0.000 1.053 339 V CA -0.011 62.296 62.300 0.011 0.000 0.987 339 V CB 1.730 33.561 31.823 0.013 0.000 1.006 339 V HN 1.059 nan 8.190 nan 0.000 0.472 340 S N 0.770 116.485 115.700 0.025 0.000 2.549 340 S HA 0.242 4.712 4.470 -0.000 0.000 0.225 340 S C 0.422 175.046 174.600 0.039 0.000 1.039 340 S CA 0.335 58.552 58.200 0.029 0.000 0.942 340 S CB 0.382 63.599 63.200 0.027 0.000 0.881 340 S HN 1.047 nan 8.310 nan 0.000 0.503 341 S N -0.084 115.642 115.700 0.044 0.000 2.537 341 S HA 0.724 5.194 4.470 -0.000 0.000 0.271 341 S C -1.483 173.149 174.600 0.054 0.000 1.148 341 S CA -0.714 57.520 58.200 0.057 0.000 0.868 341 S CB 1.736 64.972 63.200 0.059 0.000 1.115 341 S HN 0.358 nan 8.310 nan 0.000 0.461 342 V N 2.442 122.398 119.914 0.070 0.000 2.569 342 V HA 0.739 4.859 4.120 -0.000 0.000 0.301 342 V C -0.079 176.038 176.094 0.038 0.000 1.044 342 V CA -0.425 61.879 62.300 0.006 0.000 0.874 342 V CB 1.597 33.432 31.823 0.020 0.000 1.002 342 V HN 1.162 nan 8.190 nan 0.000 0.424 343 S N 4.022 119.679 115.700 -0.071 0.000 2.549 343 S HA 0.876 5.346 4.470 -0.000 0.000 0.297 343 S C -1.119 173.414 174.600 -0.112 0.000 1.115 343 S CA -0.536 57.699 58.200 0.058 0.000 1.059 343 S CB 1.481 64.734 63.200 0.089 0.000 1.046 343 S HN 0.343 nan 8.310 nan 0.000 0.506 344 F N 0.697 120.723 119.950 0.127 0.000 2.499 344 F HA 0.422 4.949 4.527 -0.000 0.000 0.333 344 F C -0.074 175.903 175.800 0.294 0.000 1.138 344 F CA -0.776 57.343 58.000 0.198 0.000 0.945 344 F CB 1.875 40.990 39.000 0.193 0.000 1.181 344 F HN 0.563 nan 8.300 nan 0.000 0.435 345 D N 3.786 124.394 120.400 0.347 0.000 2.381 345 D HA 0.237 4.877 4.640 -0.000 0.000 0.235 345 D C -0.844 175.433 176.300 -0.038 0.000 1.068 345 D CA -0.499 53.605 54.000 0.174 0.000 0.832 345 D CB 2.751 43.632 40.800 0.136 0.000 1.101 345 D HN 0.364 nan 8.370 nan 0.000 0.515 346 L N 3.965 124.908 121.223 -0.467 0.000 2.361 346 L HA 0.243 4.583 4.340 -0.000 0.000 0.278 346 L C -1.018 175.703 176.870 -0.248 0.000 1.113 346 L CA 0.070 54.491 54.840 -0.699 0.000 0.849 346 L CB 0.314 41.513 42.059 -1.433 0.000 1.155 346 L HN 0.254 nan 8.230 nan 0.000 0.452 347 L N 6.430 127.594 121.223 -0.098 0.000 2.280 347 L HA 0.501 4.841 4.340 -0.000 0.000 0.287 347 L C -0.047 176.852 176.870 0.049 0.000 1.023 347 L CA -0.760 54.086 54.840 0.010 0.000 0.819 347 L CB 0.885 42.987 42.059 0.073 0.000 1.212 347 L HN 0.537 nan 8.230 nan 0.000 0.420 348 K N 3.485 123.920 120.400 0.057 0.000 2.139 348 K HA 0.572 4.892 4.320 -0.000 0.000 0.243 348 K C -0.354 176.311 176.600 0.108 0.000 0.983 348 K CA -0.882 55.457 56.287 0.086 0.000 0.890 348 K CB 1.913 34.458 32.500 0.075 0.000 1.090 348 K HN 0.433 nan 8.250 nan 0.000 0.445 349 L N 1.298 122.592 121.223 0.118 0.000 2.455 349 L HA 0.193 4.532 4.340 -0.000 0.000 0.272 349 L C 1.050 177.976 176.870 0.093 0.000 1.174 349 L CA -0.137 54.772 54.840 0.115 0.000 0.869 349 L CB 0.288 42.416 42.059 0.114 0.000 1.130 349 L HN 0.629 nan 8.230 nan 0.000 0.474 350 G N 3.594 112.452 108.800 0.098 0.000 2.410 350 G HA2 0.636 4.595 3.960 -0.000 0.000 0.330 350 G HA3 0.636 4.595 3.960 -0.000 0.000 0.330 350 G C -2.669 172.270 174.900 0.065 0.000 1.142 350 G CA -1.149 44.008 45.100 0.094 0.000 0.902 350 G HN 0.353 nan 8.290 nan 0.000 0.491 351 P HA 0.258 nan 4.420 nan 0.000 0.276 351 P C 0.590 177.907 177.300 0.027 0.000 1.261 351 P CA -0.089 63.007 63.100 -0.007 0.000 0.800 351 P CB 1.194 32.824 31.700 -0.117 0.000 1.066 352 G N -0.041 108.770 108.800 0.019 0.000 2.606 352 G HA2 0.385 4.345 3.960 -0.000 0.000 0.252 352 G HA3 0.385 4.345 3.960 -0.000 0.000 0.252 352 G C -0.020 174.906 174.900 0.044 0.000 1.206 352 G CA -0.196 44.921 45.100 0.029 0.000 0.861 352 G HN 0.664 nan 8.290 nan 0.000 0.561 353 A N 0.108 122.961 122.820 0.055 0.000 2.561 353 A HA 0.482 4.802 4.320 -0.000 0.000 0.234 353 A C 0.803 178.424 177.584 0.062 0.000 1.055 353 A CA 1.154 53.236 52.037 0.073 0.000 0.756 353 A CB 0.140 19.197 19.000 0.096 0.000 0.986 353 A HN 1.676 nan 8.150 nan 0.000 0.505 354 S N 0.736 116.474 115.700 0.063 0.000 2.587 354 S HA 0.474 4.943 4.470 -0.000 0.000 0.269 354 S C -1.093 173.525 174.600 0.031 0.000 1.154 354 S CA -0.666 57.551 58.200 0.029 0.000 0.824 354 S CB 0.635 63.852 63.200 0.028 0.000 1.118 354 S HN 1.486 nan 8.310 nan 0.000 0.462 355 L N 3.202 124.417 121.223 -0.013 0.000 2.426 355 L HA 0.625 4.964 4.340 -0.000 0.000 0.271 355 L C -0.764 176.135 176.870 0.048 0.000 1.169 355 L CA 0.263 55.094 54.840 -0.014 0.000 0.836 355 L CB 0.981 43.010 42.059 -0.049 0.000 1.112 355 L HN 0.471 nan 8.230 nan 0.000 0.465 356 V N 4.266 124.219 119.914 0.066 0.000 2.394 356 V HA 0.627 4.747 4.120 -0.000 0.000 0.282 356 V C 0.297 176.436 176.094 0.076 0.000 1.031 356 V CA -0.054 62.320 62.300 0.123 0.000 0.881 356 V CB 1.270 33.173 31.823 0.134 0.000 0.982 356 V HN 1.013 nan 8.190 nan 0.000 0.451 357 T N 1.616 116.217 114.554 0.079 0.000 2.864 357 T HA 0.593 4.943 4.350 -0.000 0.000 0.289 357 T C 0.863 175.597 174.700 0.057 0.000 1.082 357 T CA -0.795 61.335 62.100 0.050 0.000 1.009 357 T CB 1.451 70.336 68.868 0.028 0.000 1.234 357 T HN 0.191 nan 8.240 nan 0.000 0.526 358 L N 0.565 121.812 121.223 0.039 0.000 2.083 358 L HA 0.018 4.358 4.340 -0.000 0.000 0.209 358 L C 3.145 180.036 176.870 0.035 0.000 1.083 358 L CA 1.617 56.479 54.840 0.036 0.000 0.752 358 L CB -0.896 41.177 42.059 0.023 0.000 0.899 358 L HN 0.940 nan 8.230 nan 0.000 0.433 359 A N 1.263 124.098 122.820 0.026 0.000 1.969 359 A HA -0.194 4.126 4.320 -0.000 0.000 0.218 359 A C 1.780 179.374 177.584 0.016 0.000 1.169 359 A CA 2.037 54.084 52.037 0.017 0.000 0.635 359 A CB -0.571 18.434 19.000 0.008 0.000 0.810 359 A HN 0.672 nan 8.150 nan 0.000 0.445 360 N N -1.059 117.657 118.700 0.027 0.000 2.184 360 N HA -0.019 4.720 4.740 -0.000 0.000 0.206 360 N C 1.007 176.551 175.510 0.057 0.000 1.151 360 N CA 0.978 54.034 53.050 0.009 0.000 0.878 360 N CB -0.482 37.997 38.487 -0.014 0.000 1.014 360 N HN 0.280 nan 8.380 nan 0.000 0.512 361 S N 0.207 115.982 115.700 0.126 0.000 2.440 361 S HA -0.073 4.397 4.470 -0.000 0.000 0.238 361 S C 1.440 176.198 174.600 0.264 0.000 1.010 361 S CA 0.344 58.689 58.200 0.243 0.000 0.972 361 S CB -0.188 63.102 63.200 0.150 0.000 0.774 361 S HN 0.152 nan 8.310 nan 0.000 0.501 362 R N 1.575 122.146 120.500 0.119 0.000 2.334 362 R HA 0.196 4.536 4.340 -0.000 0.000 0.220 362 R C 1.860 178.173 176.300 0.021 0.000 0.917 362 R CA 0.293 56.447 56.100 0.091 0.000 1.073 362 R CB -0.699 29.630 30.300 0.048 0.000 1.056 362 R HN 0.800 nan 8.270 nan 0.000 0.506 363 R N -0.678 119.763 120.500 -0.097 0.000 2.307 363 R HA 0.096 4.436 4.340 -0.000 0.000 0.199 363 R C -0.364 175.734 176.300 -0.337 0.000 1.000 363 R CA 0.397 56.343 56.100 -0.257 0.000 1.023 363 R CB -0.066 29.996 30.300 -0.396 0.000 0.908 363 R HN -0.145 nan 8.270 nan 0.000 0.473 364 F N 2.068 122.032 119.950 0.024 0.000 2.411 364 F HA 0.320 4.847 4.527 -0.000 0.000 0.350 364 F C 0.445 176.264 175.800 0.031 0.000 1.114 364 F CA -0.860 57.158 58.000 0.030 0.000 1.135 364 F CB 1.263 40.283 39.000 0.034 0.000 1.120 364 F HN -0.071 nan 8.300 nan 0.000 0.495 365 E N 4.269 124.587 120.200 0.197 0.000 2.331 365 E HA 0.244 4.594 4.350 -0.000 0.000 0.272 365 E C -2.195 174.488 176.600 0.138 0.000 1.036 365 E CA -1.888 54.592 56.400 0.132 0.000 0.864 365 E CB 0.813 30.573 29.700 0.100 0.000 1.035 365 E HN 0.275 nan 8.360 nan 0.000 0.408 366 P HA -0.071 nan 4.420 nan 0.000 0.267 366 P C -1.134 176.225 177.300 0.099 0.000 1.200 366 P CA 0.284 63.443 63.100 0.098 0.000 0.772 366 P CB 0.316 32.069 31.700 0.088 0.000 0.855 367 E N 1.540 121.792 120.200 0.088 0.000 2.146 367 E HA 0.395 4.744 4.350 -0.000 0.000 0.282 367 E C -1.079 175.576 176.600 0.092 0.000 0.989 367 E CA -0.754 55.691 56.400 0.076 0.000 0.799 367 E CB 0.242 29.982 29.700 0.067 0.000 1.088 367 E HN 0.245 nan 8.360 nan 0.000 0.397 368 C N 3.570 122.916 119.300 0.077 0.000 2.341 368 C HA 0.674 5.134 4.460 -0.000 0.000 0.338 368 C C 0.117 175.202 174.990 0.158 0.000 1.257 368 C CA -0.584 58.526 59.018 0.152 0.000 1.883 368 C CB 0.144 28.014 27.740 0.216 0.000 2.334 368 C HN 0.887 nan 8.230 nan 0.000 0.524 369 R N 1.276 121.966 120.500 0.317 0.000 2.707 369 R HA 0.808 5.148 4.340 -0.000 0.000 0.272 369 R C -2.285 174.211 176.300 0.326 0.000 1.011 369 R CA -0.399 55.920 56.100 0.364 0.000 0.893 369 R CB 1.933 32.358 30.300 0.208 0.000 1.233 369 R HN 0.566 nan 8.270 nan 0.000 0.464 370 V N 3.869 123.958 119.914 0.292 0.000 2.733 370 V HA 0.618 4.737 4.120 -0.000 0.000 0.306 370 V C -1.665 174.554 176.094 0.207 0.000 1.084 370 V CA -0.439 61.924 62.300 0.105 0.000 0.905 370 V CB 2.186 33.890 31.823 -0.199 0.000 1.010 370 V HN 0.557 nan 8.190 nan 0.000 0.424 371 V N 7.431 127.432 119.914 0.146 0.000 2.540 371 V HA 0.593 4.712 4.120 -0.000 0.000 0.302 371 V C -0.721 175.447 176.094 0.122 0.000 1.035 371 V CA -0.651 61.753 62.300 0.173 0.000 0.873 371 V CB 1.654 33.552 31.823 0.126 0.000 0.992 371 V HN 0.724 nan 8.190 nan 0.000 0.428 372 L N 4.450 125.768 121.223 0.158 0.000 2.307 372 L HA 0.558 4.897 4.340 -0.000 0.000 0.284 372 L C 0.076 176.997 176.870 0.085 0.000 1.023 372 L CA -0.142 54.759 54.840 0.102 0.000 0.810 372 L CB 1.744 43.873 42.059 0.117 0.000 1.231 372 L HN 0.535 nan 8.230 nan 0.000 0.423 373 Q N 4.086 123.919 119.800 0.056 0.000 2.256 373 Q HA 0.605 4.945 4.340 -0.000 0.000 0.254 373 Q C -0.739 175.285 176.000 0.040 0.000 0.916 373 Q CA -0.033 55.798 55.803 0.047 0.000 0.932 373 Q CB 2.249 31.008 28.738 0.036 0.000 1.207 373 Q HN 0.502 nan 8.270 nan 0.000 0.426 374 I N 0.523 121.116 120.570 0.039 0.000 2.828 374 I HA 0.378 4.548 4.170 -0.000 0.000 0.302 374 I C -0.206 175.926 176.117 0.025 0.000 1.101 374 I CA -0.797 60.523 61.300 0.032 0.000 1.031 374 I CB 2.560 40.583 38.000 0.038 0.000 1.231 374 I HN 0.458 nan 8.210 nan 0.000 0.427 375 E N 3.805 124.017 120.200 0.020 0.000 2.218 375 E HA 0.517 4.867 4.350 -0.000 0.000 0.263 375 E C -1.905 174.704 176.600 0.014 0.000 0.879 375 E CA -0.526 55.883 56.400 0.016 0.000 0.762 375 E CB 2.252 31.960 29.700 0.013 0.000 1.166 375 E HN 0.359 nan 8.360 nan 0.000 0.415 376 V N 5.584 125.505 119.914 0.012 0.000 2.304 376 V HA 0.342 4.462 4.120 -0.000 0.000 0.278 376 V C -0.262 175.836 176.094 0.007 0.000 1.018 376 V CA -0.632 61.674 62.300 0.010 0.000 0.814 376 V CB 1.163 32.991 31.823 0.009 0.000 1.021 376 V HN 0.543 nan 8.190 nan 0.000 0.440 377 K N 6.159 126.563 120.400 0.006 0.000 2.270 377 K HA 0.614 4.934 4.320 -0.000 0.000 0.255 377 K C -2.885 173.717 176.600 0.004 0.000 0.936 377 K CA -2.171 54.119 56.287 0.005 0.000 0.809 377 K CB 2.558 35.061 32.500 0.005 0.000 1.131 377 K HN 0.293 nan 8.250 nan 0.000 0.427 378 P HA -0.000 nan 4.420 nan 0.000 0.271 378 P C -1.143 176.158 177.300 0.002 0.000 1.220 378 P CA -0.447 62.654 63.100 0.001 0.000 0.768 378 P CB 0.860 32.560 31.700 0.000 0.000 0.848 379 V N 0.145 120.060 119.914 0.001 0.000 3.102 379 V HA 0.659 4.779 4.120 -0.000 0.000 0.312 379 V C 0.323 176.417 176.094 0.001 0.000 1.135 379 V CA -0.949 61.352 62.300 0.001 0.000 1.022 379 V CB 1.601 33.425 31.823 0.002 0.000 1.056 379 V HN 0.466 nan 8.190 nan 0.000 0.436 380 S N 0.000 115.700 115.700 0.001 0.000 2.498 380 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 380 S CA 0.000 58.200 58.200 0.000 0.000 1.107 380 S CB 0.000 63.200 63.200 0.000 0.000 0.593 380 S HN 0.000 nan 8.310 nan 0.000 0.517