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 2h47_1_H DATA FIRST_RESID 28 DATA SEQUENCE KPREVLTGGH SVSAPQENRI YVMDSVFMHL TESRVHVYDY TNGKFLGMVP DATA SEQUENCE TAFNGHVQVS NDGKKIYTMT TYHERITRGK RSDVVEVWDA DKLTFEKEIS DATA SEQUENCE LPPKRVQGLN YDGLFRQTTD GKFIVLQNAS PATSIGIVDV AKGDYVEDVT DATA SEQUENCE AAAGcWSVIP QPNRPRSFMT IcGDGGLLTI NLGEDGKVAS QSRSKQMFSV DATA SEQUENCE KDDPIFIAPA LDKDKAHFVS YYGNVYSADF SGDEVKVDGP WSLLNDEDKA DATA SEQUENCE KNWVPGGYNL VGLHRASGRM YVFMHPDGKE GTHKFPAAEI WVMDTKTKQR DATA SEQUENCE VARIPGRDAL SMTIDQQRNL MLTLDGGNVN VYDISQPEPK LLRTIEGAAE DATA SEQUENCE ASLQVQFHPV GG 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 28 K HA 0.000 nan 4.320 nan 0.000 0.191 28 K C 0.000 176.603 176.600 0.004 0.000 0.988 28 K CA 0.000 56.289 56.287 0.004 0.000 0.838 28 K CB 0.000 32.502 32.500 0.003 0.000 1.064 29 P HA 0.419 nan 4.420 nan 0.000 0.295 29 P C 0.293 177.597 177.300 0.007 0.000 1.397 29 P CA -0.804 62.300 63.100 0.006 0.000 0.903 29 P CB 1.187 32.891 31.700 0.008 0.000 1.028 30 R N 1.275 121.778 120.500 0.006 0.000 2.147 30 R HA -0.076 4.264 4.340 -0.000 0.000 0.225 30 R C 0.405 176.709 176.300 0.007 0.000 1.120 30 R CA 1.264 57.367 56.100 0.006 0.000 0.891 30 R CB -0.205 30.097 30.300 0.004 0.000 0.822 30 R HN 0.604 nan 8.270 nan 0.000 0.433 31 E N 0.460 120.664 120.200 0.007 0.000 2.314 31 E HA 0.333 4.683 4.350 -0.000 0.000 0.262 31 E C -0.969 175.639 176.600 0.014 0.000 1.093 31 E CA -0.400 56.006 56.400 0.010 0.000 0.908 31 E CB 1.718 31.422 29.700 0.007 0.000 1.091 31 E HN -0.088 nan 8.360 nan 0.000 0.425 32 V N 2.384 122.309 119.914 0.019 0.000 2.612 32 V HA 0.109 4.229 4.120 -0.000 0.000 0.301 32 V C -0.849 175.266 176.094 0.035 0.000 1.059 32 V CA -0.815 61.500 62.300 0.024 0.000 0.886 32 V CB 1.697 33.535 31.823 0.025 0.000 1.007 32 V HN 0.481 nan 8.190 nan 0.000 0.426 33 L N 5.738 126.982 121.223 0.035 0.000 2.453 33 L HA 0.681 5.021 4.340 -0.000 0.000 0.272 33 L C 0.456 177.366 176.870 0.067 0.000 1.182 33 L CA 1.200 56.068 54.840 0.047 0.000 0.858 33 L CB 1.092 43.174 42.059 0.039 0.000 1.120 33 L HN 0.978 nan 8.230 nan 0.000 0.474 34 T N 1.633 116.254 114.554 0.111 0.000 2.900 34 T HA 0.892 5.242 4.350 -0.000 0.000 0.303 34 T C -0.194 174.633 174.700 0.211 0.000 1.142 34 T CA -0.247 61.936 62.100 0.138 0.000 1.007 34 T CB 1.488 70.454 68.868 0.163 0.000 1.156 34 T HN 0.818 nan 8.240 nan 0.000 0.490 35 G N -1.071 107.788 108.800 0.099 0.000 3.262 35 G HA2 0.636 4.596 3.960 -0.000 0.000 0.229 35 G HA3 0.636 4.596 3.960 -0.000 0.000 0.229 35 G C 0.748 175.572 174.900 -0.127 0.000 1.280 35 G CA -0.465 44.701 45.100 0.111 0.000 0.951 35 G HN 2.025 nan 8.290 nan 0.000 0.589 36 G N -1.061 107.712 108.800 -0.044 0.000 2.160 36 G HA2 -0.222 3.737 3.960 -0.000 0.000 0.251 36 G HA3 -0.222 3.737 3.960 -0.000 0.000 0.251 36 G C 0.315 175.121 174.900 -0.158 0.000 1.008 36 G CA 0.556 45.600 45.100 -0.094 0.000 0.724 36 G HN 0.761 nan 8.290 nan 0.000 0.514 37 H N 0.088 119.180 119.070 0.037 0.000 2.505 37 H HA 0.539 5.095 4.556 -0.000 0.000 0.355 37 H C 0.536 175.884 175.328 0.033 0.000 1.179 37 H CA 0.434 56.499 56.048 0.030 0.000 1.343 37 H CB 1.469 31.245 29.762 0.024 0.000 1.501 37 H HN 0.218 nan 8.280 nan 0.000 0.569 38 S N 0.337 116.132 115.700 0.158 0.000 2.693 38 S HA 0.170 4.640 4.470 -0.000 0.000 0.276 38 S C 0.084 174.726 174.600 0.071 0.000 1.192 38 S CA -0.863 57.394 58.200 0.094 0.000 0.994 38 S CB 1.304 64.542 63.200 0.064 0.000 1.012 38 S HN 0.283 nan 8.310 nan 0.000 0.550 39 V N 3.300 123.239 119.914 0.042 0.000 2.485 39 V HA 0.006 4.126 4.120 -0.000 0.000 0.287 39 V C 1.631 177.717 176.094 -0.014 0.000 1.022 39 V CA 0.418 62.719 62.300 0.002 0.000 1.067 39 V CB 0.434 32.250 31.823 -0.011 0.000 0.967 39 V HN 1.131 nan 8.190 nan 0.000 0.479 40 S N 4.295 119.979 115.700 -0.027 0.000 2.392 40 S HA -0.128 4.342 4.470 -0.000 0.000 0.232 40 S C 0.966 175.540 174.600 -0.044 0.000 1.041 40 S CA 0.901 59.081 58.200 -0.034 0.000 1.026 40 S CB -0.192 62.980 63.200 -0.046 0.000 0.845 40 S HN 1.116 nan 8.310 nan 0.000 0.465 41 A N 3.037 125.819 122.820 -0.063 0.000 2.303 41 A HA 0.670 4.990 4.320 -0.000 0.000 0.317 41 A C -2.444 175.094 177.584 -0.077 0.000 1.149 41 A CA -2.281 49.711 52.037 -0.075 0.000 0.822 41 A CB 0.441 19.381 19.000 -0.100 0.000 1.131 41 A HN 0.346 nan 8.150 nan 0.000 0.493 42 P HA 0.021 nan 4.420 nan 0.000 0.268 42 P C 0.272 177.496 177.300 -0.127 0.000 1.204 42 P CA 0.211 63.260 63.100 -0.084 0.000 0.768 42 P CB 0.738 32.399 31.700 -0.065 0.000 0.842 43 Q N 2.503 122.182 119.800 -0.202 0.000 2.103 43 Q HA -0.272 4.068 4.340 -0.000 0.000 0.213 43 Q C 1.841 177.676 176.000 -0.274 0.000 1.008 43 Q CA 2.662 58.194 55.803 -0.451 0.000 0.879 43 Q CB -0.526 27.730 28.738 -0.802 0.000 0.946 43 Q HN 0.666 nan 8.270 nan 0.000 0.413 44 E N 0.210 120.339 120.200 -0.119 0.000 2.394 44 E HA -0.211 4.139 4.350 -0.000 0.000 0.202 44 E C 1.110 177.789 176.600 0.133 0.000 1.029 44 E CA 1.341 57.774 56.400 0.054 0.000 0.855 44 E CB -0.153 29.575 29.700 0.046 0.000 0.770 44 E HN 0.289 nan 8.360 nan 0.000 0.527 45 N N 0.174 118.875 118.700 0.001 0.000 2.325 45 N HA 0.075 4.815 4.740 -0.000 0.000 0.182 45 N C -0.215 175.267 175.510 -0.047 0.000 1.088 45 N CA 0.099 53.068 53.050 -0.135 0.000 0.879 45 N CB 0.362 38.719 38.487 -0.217 0.000 0.983 45 N HN 0.134 nan 8.380 nan 0.000 0.471 46 R N 0.702 121.226 120.500 0.040 0.000 2.531 46 R HA 0.502 4.842 4.340 -0.000 0.000 0.273 46 R C 0.236 176.556 176.300 0.033 0.000 1.070 46 R CA -0.202 55.884 56.100 -0.023 0.000 1.112 46 R CB 1.027 31.280 30.300 -0.077 0.000 1.049 46 R HN 0.109 nan 8.270 nan 0.000 0.508 47 I N -2.143 118.264 120.570 -0.272 0.000 2.913 47 I HA 0.437 4.607 4.170 -0.000 0.000 0.302 47 I C -1.542 174.227 176.117 -0.580 0.000 1.246 47 I CA -1.344 59.775 61.300 -0.301 0.000 1.010 47 I CB 2.035 39.844 38.000 -0.319 0.000 1.259 47 I HN 0.405 nan 8.210 nan 0.000 0.434 48 Y N 3.524 123.814 120.300 -0.017 0.000 2.341 48 Y HA 0.637 5.187 4.550 -0.000 0.000 0.338 48 Y C -0.284 175.609 175.900 -0.012 0.000 0.965 48 Y CA -1.081 57.023 58.100 0.006 0.000 1.108 48 Y CB 2.163 40.617 38.460 -0.010 0.000 1.180 48 Y HN 0.298 nan 8.280 nan 0.000 0.458 49 V N 5.196 125.178 119.914 0.114 0.000 2.328 49 V HA 0.214 4.334 4.120 -0.000 0.000 0.278 49 V C -0.089 175.999 176.094 -0.011 0.000 1.021 49 V CA -0.732 61.598 62.300 0.049 0.000 0.838 49 V CB 1.022 32.897 31.823 0.086 0.000 0.999 49 V HN 0.722 nan 8.190 nan 0.000 0.447 50 M N 4.781 124.348 119.600 -0.055 0.000 2.264 50 M HA 0.304 4.784 4.480 -0.000 0.000 0.340 50 M C -0.275 175.914 176.300 -0.185 0.000 1.420 50 M CA -0.078 55.143 55.300 -0.130 0.000 1.254 50 M CB -0.064 32.450 32.600 -0.143 0.000 1.575 50 M HN 0.547 nan 8.290 nan 0.000 0.452 51 D N 2.322 122.577 120.400 -0.241 0.000 2.411 51 D HA 0.171 4.811 4.640 -0.000 0.000 0.225 51 D C 0.851 177.032 176.300 -0.198 0.000 1.156 51 D CA 0.140 54.005 54.000 -0.225 0.000 0.874 51 D CB 0.878 41.483 40.800 -0.323 0.000 1.034 51 D HN 0.740 nan 8.370 nan 0.000 0.502 52 S N 1.875 117.458 115.700 -0.195 0.000 2.419 52 S HA -0.135 4.335 4.470 -0.000 0.000 0.233 52 S C 1.211 175.755 174.600 -0.093 0.000 1.016 52 S CA 0.379 58.461 58.200 -0.198 0.000 0.974 52 S CB -0.395 62.644 63.200 -0.269 0.000 0.786 52 S HN 0.469 nan 8.310 nan 0.000 0.492 53 V N 2.292 122.185 119.914 -0.036 0.000 5.691 53 V HA -0.228 3.892 4.120 -0.000 0.000 0.288 53 V C 1.015 177.171 176.094 0.103 0.000 0.615 53 V CA 0.800 63.127 62.300 0.045 0.000 0.619 53 V CB -3.012 28.849 31.823 0.064 0.000 0.296 53 V HN 0.550 nan 8.190 nan 0.000 0.834 54 F N 1.023 120.913 119.950 -0.102 0.000 2.082 54 F HA -0.302 4.225 4.527 -0.000 0.000 0.298 54 F C 2.083 177.817 175.800 -0.110 0.000 1.091 54 F CA 2.817 60.755 58.000 -0.105 0.000 1.230 54 F CB -0.127 38.807 39.000 -0.110 0.000 0.983 54 F HN 0.373 nan 8.300 nan 0.000 0.485 55 M N -1.029 118.510 119.600 -0.102 0.000 2.346 55 M HA -0.176 4.304 4.480 -0.000 0.000 0.263 55 M C 0.341 176.271 176.300 -0.617 0.000 1.064 55 M CA 1.574 56.611 55.300 -0.438 0.000 1.083 55 M CB -1.097 31.208 32.600 -0.492 0.000 1.399 55 M HN 0.203 nan 8.290 nan 0.000 0.435 56 H N -1.126 117.967 119.070 0.039 0.000 2.947 56 H HA 0.178 4.734 4.556 -0.000 0.000 0.222 56 H C 0.791 176.173 175.328 0.091 0.000 1.414 56 H CA -0.504 55.576 56.048 0.054 0.000 1.224 56 H CB -0.187 29.596 29.762 0.035 0.000 2.100 56 H HN 0.093 nan 8.280 nan 0.000 0.524 57 L N 1.903 123.246 121.223 0.201 0.000 2.456 57 L HA -0.141 4.199 4.340 -0.000 0.000 0.225 57 L C 2.145 179.156 176.870 0.236 0.000 1.142 57 L CA 2.081 57.015 54.840 0.157 0.000 0.796 57 L CB -0.422 41.733 42.059 0.159 0.000 0.920 57 L HN 0.421 nan 8.230 nan 0.000 0.446 58 T N -4.381 110.376 114.554 0.339 0.000 3.148 58 T HA -0.039 4.311 4.350 -0.000 0.000 0.253 58 T C 1.111 175.904 174.700 0.155 0.000 1.134 58 T CA 0.581 62.881 62.100 0.333 0.000 1.051 58 T CB -0.251 68.738 68.868 0.202 0.000 0.959 58 T HN 0.530 nan 8.240 nan 0.000 0.525 59 E N 1.971 122.240 120.200 0.116 0.000 3.646 59 E HA 0.242 4.592 4.350 -0.000 0.000 0.211 59 E C -0.324 176.295 176.600 0.032 0.000 1.034 59 E CA -0.398 56.040 56.400 0.064 0.000 1.341 59 E CB 0.443 30.180 29.700 0.062 0.000 1.202 59 E HN 0.578 nan 8.360 nan 0.000 0.447 60 S N 1.106 116.798 115.700 -0.013 0.000 2.585 60 S HA 0.468 4.938 4.470 -0.000 0.000 0.273 60 S C 0.192 174.737 174.600 -0.091 0.000 1.339 60 S CA -0.688 57.466 58.200 -0.076 0.000 1.028 60 S CB 1.436 64.548 63.200 -0.146 0.000 0.906 60 S HN 0.413 nan 8.310 nan 0.000 0.528 61 R N -0.087 120.327 120.500 -0.143 0.000 2.766 61 R HA 0.597 4.937 4.340 -0.000 0.000 0.270 61 R C -2.158 173.999 176.300 -0.238 0.000 1.035 61 R CA -0.974 55.035 56.100 -0.151 0.000 0.911 61 R CB 0.587 30.854 30.300 -0.055 0.000 1.243 61 R HN 0.491 nan 8.270 nan 0.000 0.460 62 V N 2.526 122.340 119.914 -0.167 0.000 2.357 62 V HA 0.333 4.453 4.120 -0.000 0.000 0.284 62 V C -0.534 175.572 176.094 0.019 0.000 1.018 62 V CA -0.795 61.441 62.300 -0.106 0.000 0.841 62 V CB 0.901 32.695 31.823 -0.048 0.000 0.991 62 V HN 0.559 nan 8.190 nan 0.000 0.437 63 H N 3.304 122.431 119.070 0.096 0.000 2.527 63 H HA 0.472 5.028 4.556 -0.000 0.000 0.321 63 H C -0.304 174.990 175.328 -0.057 0.000 1.087 63 H CA -0.563 55.539 56.048 0.091 0.000 1.337 63 H CB 1.764 31.769 29.762 0.405 0.000 1.440 63 H HN 0.371 nan 8.280 nan 0.000 0.490 64 V N 5.816 125.550 119.914 -0.301 0.000 2.350 64 V HA 0.203 4.323 4.120 -0.000 0.000 0.276 64 V C -0.465 175.273 176.094 -0.593 0.000 1.028 64 V CA -0.540 61.499 62.300 -0.436 0.000 0.860 64 V CB -0.042 31.541 31.823 -0.400 0.000 0.990 64 V HN 0.583 nan 8.190 nan 0.000 0.453 65 Y N 1.591 121.667 120.300 -0.373 0.000 2.621 65 Y HA 0.534 5.084 4.550 -0.000 0.000 0.334 65 Y C 0.216 175.991 175.900 -0.208 0.000 1.074 65 Y CA -1.188 56.767 58.100 -0.243 0.000 1.149 65 Y CB 1.448 39.833 38.460 -0.125 0.000 1.302 65 Y HN 0.510 nan 8.280 nan 0.000 0.501 66 D N 0.688 121.106 120.400 0.030 0.000 2.477 66 D HA 0.047 4.687 4.640 -0.000 0.000 0.239 66 D C 0.340 176.612 176.300 -0.047 0.000 1.102 66 D CA -0.523 53.431 54.000 -0.077 0.000 0.901 66 D CB 0.105 40.841 40.800 -0.108 0.000 1.026 66 D HN 0.561 nan 8.370 nan 0.000 0.515 67 Y N 1.925 122.226 120.300 0.002 0.000 2.538 67 Y HA -0.195 4.355 4.550 -0.000 0.000 0.287 67 Y C 1.827 177.742 175.900 0.025 0.000 1.157 67 Y CA 1.597 59.694 58.100 -0.005 0.000 1.338 67 Y CB -1.046 37.398 38.460 -0.028 0.000 0.970 67 Y HN 0.243 nan 8.280 nan 0.000 0.564 68 T N -1.800 112.526 114.554 -0.381 0.000 2.985 68 T HA -0.068 4.282 4.350 -0.000 0.000 0.266 68 T C 1.056 175.716 174.700 -0.067 0.000 1.076 68 T CA 1.013 62.977 62.100 -0.228 0.000 1.135 68 T CB -0.439 68.233 68.868 -0.328 0.000 0.890 68 T HN 0.626 nan 8.240 nan 0.000 0.480 69 N N -0.318 118.352 118.700 -0.050 0.000 2.082 69 N HA 0.265 5.005 4.740 -0.000 0.000 0.228 69 N C 1.341 176.871 175.510 0.034 0.000 1.341 69 N CA 0.274 53.319 53.050 -0.009 0.000 0.873 69 N CB -0.067 38.406 38.487 -0.024 0.000 1.137 69 N HN 0.504 nan 8.380 nan 0.000 0.505 70 G N 0.844 109.686 108.800 0.071 0.000 2.155 70 G HA2 -0.396 3.564 3.960 -0.000 0.000 0.257 70 G HA3 -0.396 3.564 3.960 -0.000 0.000 0.257 70 G C -0.120 174.941 174.900 0.268 0.000 0.983 70 G CA 0.653 45.849 45.100 0.159 0.000 0.676 70 G HN 0.694 nan 8.290 nan 0.000 0.528 71 K N 0.035 120.516 120.400 0.135 0.000 2.379 71 K HA 0.424 4.744 4.320 -0.000 0.000 0.284 71 K C 0.134 176.702 176.600 -0.053 0.000 1.044 71 K CA -0.900 55.427 56.287 0.066 0.000 0.974 71 K CB 0.066 32.565 32.500 -0.001 0.000 0.962 71 K HN 0.077 nan 8.250 nan 0.000 0.474 72 F N 5.967 125.721 119.950 -0.328 0.000 2.543 72 F HA 0.041 4.568 4.527 -0.000 0.000 0.375 72 F C 0.418 175.981 175.800 -0.394 0.000 1.075 72 F CA 0.154 57.736 58.000 -0.696 0.000 1.225 72 F CB 0.425 39.092 39.000 -0.556 0.000 1.099 72 F HN 0.542 nan 8.300 nan 0.000 0.561 73 L N 4.880 125.588 121.223 -0.857 0.000 2.537 73 L HA 0.468 4.808 4.340 -0.000 0.000 0.224 73 L C 1.056 177.631 176.870 -0.492 0.000 1.065 73 L CA 0.373 54.916 54.840 -0.494 0.000 0.860 73 L CB -0.307 41.537 42.059 -0.358 0.000 1.086 73 L HN 0.825 nan 8.230 nan 0.000 0.482 74 G N 0.398 108.661 108.800 -0.895 0.000 2.315 74 G HA2 0.443 4.403 3.960 -0.000 0.000 0.294 74 G HA3 0.443 4.403 3.960 -0.000 0.000 0.294 74 G C -1.561 173.073 174.900 -0.442 0.000 1.300 74 G CA -0.363 44.462 45.100 -0.459 0.000 0.843 74 G HN -0.034 nan 8.290 nan 0.000 0.527 75 M N -1.700 117.858 119.600 -0.070 0.000 2.644 75 M HA 0.825 5.305 4.480 -0.000 0.000 0.273 75 M C -1.785 174.498 176.300 -0.028 0.000 1.253 75 M CA -1.093 54.231 55.300 0.040 0.000 0.852 75 M CB 2.301 35.077 32.600 0.293 0.000 1.708 75 M HN 0.680 nan 8.290 nan 0.000 0.471 76 V N 1.875 121.711 119.914 -0.131 0.000 2.488 76 V HA 0.505 4.625 4.120 -0.000 0.000 0.293 76 V C -2.371 173.519 176.094 -0.340 0.000 1.027 76 V CA -1.205 60.831 62.300 -0.441 0.000 0.862 76 V CB 1.778 33.163 31.823 -0.729 0.000 1.008 76 V HN 0.735 nan 8.190 nan 0.000 0.428 77 P HA 0.131 nan 4.420 nan 0.000 0.268 77 P C 0.276 177.528 177.300 -0.081 0.000 1.204 77 P CA 0.258 63.317 63.100 -0.068 0.000 0.768 77 P CB 0.931 32.669 31.700 0.063 0.000 0.842 78 T N -0.573 113.937 114.554 -0.074 0.000 3.380 78 T HA 0.516 4.866 4.350 -0.000 0.000 0.289 78 T C 0.863 175.501 174.700 -0.103 0.000 1.012 78 T CA 0.190 62.248 62.100 -0.070 0.000 0.944 78 T CB -0.369 68.431 68.868 -0.113 0.000 1.172 78 T HN 0.572 nan 8.240 nan 0.000 0.502 79 A N 1.983 124.743 122.820 -0.099 0.000 5.393 79 A HA -0.222 4.098 4.320 -0.000 0.000 0.342 79 A C 0.137 177.698 177.584 -0.039 0.000 1.698 79 A CA 1.221 53.177 52.037 -0.135 0.000 0.727 79 A CB -1.723 16.995 19.000 -0.471 0.000 1.446 79 A HN 1.002 nan 8.150 nan 0.000 0.408 80 F N 2.203 122.044 119.950 -0.182 0.000 2.438 80 F HA 0.473 5.000 4.527 -0.000 0.000 0.356 80 F C 0.963 176.726 175.800 -0.062 0.000 1.099 80 F CA 0.118 58.069 58.000 -0.081 0.000 1.185 80 F CB -0.055 38.922 39.000 -0.039 0.000 1.115 80 F HN 0.839 nan 8.300 nan 0.000 0.526 81 N N 3.353 121.562 118.700 -0.818 0.000 2.696 81 N HA -0.197 4.543 4.740 -0.000 0.000 0.271 81 N C -0.276 175.035 175.510 -0.332 0.000 0.997 81 N CA 0.826 53.477 53.050 -0.665 0.000 0.801 81 N CB -0.721 37.213 38.487 -0.922 0.000 0.913 81 N HN 0.961 nan 8.380 nan 0.000 0.557 82 G N 0.927 109.565 108.800 -0.269 0.000 2.476 82 G HA2 0.339 4.299 3.960 -0.000 0.000 0.269 82 G HA3 0.339 4.299 3.960 -0.000 0.000 0.269 82 G C -0.636 174.089 174.900 -0.292 0.000 1.195 82 G CA -0.427 44.557 45.100 -0.194 0.000 0.843 82 G HN 0.577 nan 8.290 nan 0.000 0.545 83 H N -0.761 118.138 119.070 -0.286 0.000 2.621 83 H HA 0.666 5.222 4.556 -0.000 0.000 0.360 83 H C -0.847 174.349 175.328 -0.219 0.000 1.163 83 H CA -0.491 55.377 56.048 -0.300 0.000 1.194 83 H CB 2.529 31.987 29.762 -0.507 0.000 1.649 83 H HN 0.394 nan 8.280 nan 0.000 0.532 84 V N 1.785 121.775 119.914 0.128 0.000 3.178 84 V HA 0.362 4.482 4.120 -0.000 0.000 0.302 84 V C -1.696 174.584 176.094 0.311 0.000 1.262 84 V CA -0.435 62.014 62.300 0.249 0.000 1.030 84 V CB 2.688 34.535 31.823 0.041 0.000 1.074 84 V HN 1.033 nan 8.190 nan 0.000 0.438 85 Q N 2.683 122.606 119.800 0.206 0.000 2.687 85 Q HA 0.764 5.104 4.340 -0.000 0.000 0.295 85 Q C -2.278 173.597 176.000 -0.208 0.000 0.920 85 Q CA -0.924 54.882 55.803 0.005 0.000 0.766 85 Q CB 2.285 31.027 28.738 0.007 0.000 1.467 85 Q HN 0.509 nan 8.270 nan 0.000 0.415 86 V N 1.669 121.389 119.914 -0.324 0.000 2.581 86 V HA 0.471 4.591 4.120 -0.000 0.000 0.303 86 V C 0.037 175.849 176.094 -0.469 0.000 1.041 86 V CA -0.466 61.532 62.300 -0.503 0.000 0.907 86 V CB 1.667 33.122 31.823 -0.614 0.000 0.994 86 V HN 0.894 nan 8.190 nan 0.000 0.442 87 S N 3.290 118.585 115.700 -0.676 0.000 2.549 87 S HA 0.047 4.517 4.470 -0.000 0.000 0.286 87 S C 1.011 175.463 174.600 -0.247 0.000 1.314 87 S CA -0.361 57.523 58.200 -0.526 0.000 1.062 87 S CB 0.239 63.082 63.200 -0.595 0.000 0.865 87 S HN 0.697 nan 8.310 nan 0.000 0.498 88 N N 2.604 121.231 118.700 -0.123 0.000 2.184 88 N HA -0.168 4.572 4.740 -0.000 0.000 0.190 88 N C 1.114 176.594 175.510 -0.050 0.000 1.011 88 N CA 1.757 54.766 53.050 -0.069 0.000 0.867 88 N CB -0.601 37.868 38.487 -0.030 0.000 0.993 88 N HN 0.961 nan 8.380 nan 0.000 0.433 89 D N -0.830 119.539 120.400 -0.051 0.000 2.363 89 D HA 0.061 4.701 4.640 -0.000 0.000 0.226 89 D C 1.105 177.406 176.300 0.002 0.000 1.020 89 D CA 0.655 54.645 54.000 -0.017 0.000 0.892 89 D CB -0.646 40.145 40.800 -0.014 0.000 0.900 89 D HN 0.196 nan 8.370 nan 0.000 0.531 90 G N 0.680 109.449 108.800 -0.051 0.000 2.225 90 G HA2 -0.382 3.578 3.960 -0.000 0.000 0.267 90 G HA3 -0.382 3.578 3.960 -0.000 0.000 0.267 90 G C 0.868 175.824 174.900 0.094 0.000 1.024 90 G CA 0.714 45.812 45.100 -0.003 0.000 0.784 90 G HN 0.492 nan 8.290 nan 0.000 0.507 91 K N -1.253 119.142 120.400 -0.009 0.000 2.367 91 K HA 0.144 4.464 4.320 -0.000 0.000 0.195 91 K C 0.851 177.441 176.600 -0.016 0.000 1.060 91 K CA 0.380 56.681 56.287 0.022 0.000 1.022 91 K CB 0.403 32.910 32.500 0.011 0.000 0.894 91 K HN 0.189 nan 8.250 nan 0.000 0.540 92 K N 0.836 121.154 120.400 -0.136 0.000 2.443 92 K HA 0.468 4.788 4.320 -0.000 0.000 0.251 92 K C -0.705 175.680 176.600 -0.358 0.000 0.972 92 K CA -0.603 55.580 56.287 -0.173 0.000 0.833 92 K CB 2.255 34.669 32.500 -0.143 0.000 1.317 92 K HN -0.094 nan 8.250 nan 0.000 0.441 93 I N 2.129 122.592 120.570 -0.178 0.000 2.389 93 I HA 0.318 4.488 4.170 -0.000 0.000 0.288 93 I C -0.693 175.470 176.117 0.076 0.000 0.999 93 I CA -0.818 60.368 61.300 -0.190 0.000 1.129 93 I CB 0.913 38.858 38.000 -0.091 0.000 1.288 93 I HN 0.366 nan 8.210 nan 0.000 0.444 94 Y N 4.425 124.765 120.300 0.068 0.000 2.328 94 Y HA 0.424 4.974 4.550 -0.000 0.000 0.337 94 Y C 0.788 176.916 175.900 0.380 0.000 1.008 94 Y CA -0.903 57.316 58.100 0.199 0.000 1.129 94 Y CB 1.872 40.357 38.460 0.041 0.000 1.185 94 Y HN 0.497 nan 8.280 nan 0.000 0.476 95 T N 1.533 116.433 114.554 0.577 0.000 2.924 95 T HA 0.700 5.050 4.350 -0.000 0.000 0.291 95 T C -0.767 174.081 174.700 0.247 0.000 1.045 95 T CA -1.038 61.277 62.100 0.359 0.000 1.015 95 T CB 2.324 71.314 68.868 0.204 0.000 1.103 95 T HN 0.692 nan 8.240 nan 0.000 0.496 96 M N 2.120 121.635 119.600 -0.141 0.000 2.326 96 M HA 0.622 5.102 4.480 -0.000 0.000 0.292 96 M C -1.103 175.136 176.300 -0.101 0.000 1.081 96 M CA -0.064 55.102 55.300 -0.224 0.000 0.919 96 M CB 2.015 34.105 32.600 -0.850 0.000 1.634 96 M HN 1.078 nan 8.290 nan 0.000 0.451 97 T N 1.413 115.983 114.554 0.026 0.000 2.648 97 T HA 0.658 5.008 4.350 -0.000 0.000 0.304 97 T C -1.570 173.184 174.700 0.090 0.000 1.312 97 T CA -0.327 61.786 62.100 0.022 0.000 1.023 97 T CB 2.071 70.911 68.868 -0.047 0.000 1.612 97 T HN 0.712 nan 8.240 nan 0.000 0.487 98 T N 1.641 116.239 114.554 0.072 0.000 2.881 98 T HA 0.716 5.066 4.350 -0.000 0.000 0.290 98 T C -1.734 172.983 174.700 0.029 0.000 1.000 98 T CA -0.253 61.920 62.100 0.121 0.000 0.978 98 T CB 0.754 69.740 68.868 0.195 0.000 0.997 98 T HN 0.438 nan 8.240 nan 0.000 0.443 99 Y N 1.165 121.450 120.300 -0.025 0.000 2.587 99 Y HA 0.593 5.143 4.550 -0.000 0.000 0.337 99 Y C 0.545 176.335 175.900 -0.183 0.000 1.065 99 Y CA -0.956 57.134 58.100 -0.016 0.000 1.126 99 Y CB 1.558 40.013 38.460 -0.008 0.000 1.279 99 Y HN 0.558 nan 8.280 nan 0.000 0.489 100 H N 0.761 119.929 119.070 0.164 0.000 2.877 100 H HA 0.169 4.725 4.556 -0.000 0.000 0.347 100 H C 0.024 175.391 175.328 0.066 0.000 1.042 100 H CA -0.483 55.607 56.048 0.069 0.000 1.276 100 H CB 2.023 31.785 29.762 -0.000 0.000 1.681 100 H HN 0.843 nan 8.280 nan 0.000 0.521 101 E N 1.396 121.680 120.200 0.140 0.000 2.279 101 E HA -0.213 4.137 4.350 -0.000 0.000 0.205 101 E C 0.692 177.341 176.600 0.082 0.000 1.028 101 E CA 1.116 57.567 56.400 0.086 0.000 0.830 101 E CB 0.354 30.087 29.700 0.055 0.000 0.736 101 E HN 0.229 nan 8.360 nan 0.000 0.478 102 R N -0.910 119.645 120.500 0.091 0.000 2.590 102 R HA 0.273 4.613 4.340 -0.000 0.000 0.410 102 R C 0.917 177.238 176.300 0.035 0.000 1.010 102 R CA -0.117 56.014 56.100 0.051 0.000 1.155 102 R CB 0.176 30.491 30.300 0.025 0.000 1.455 102 R HN 0.187 nan 8.270 nan 0.000 0.567 103 I N -0.619 119.998 120.570 0.079 0.000 4.608 103 I HA -0.453 3.717 4.170 -0.000 0.000 0.051 103 I C 1.176 177.210 176.117 -0.139 0.000 0.619 103 I CA 2.490 63.804 61.300 0.023 0.000 0.844 103 I CB -1.409 36.593 38.000 0.003 0.000 0.772 103 I HN 0.224 nan 8.210 nan 0.000 0.161 104 T N 0.369 114.843 114.554 -0.133 0.000 3.145 104 T HA 0.465 4.815 4.350 -0.000 0.000 0.255 104 T C 0.225 174.815 174.700 -0.184 0.000 1.039 104 T CA 0.184 62.167 62.100 -0.195 0.000 0.928 104 T CB -0.064 68.731 68.868 -0.121 0.000 1.029 104 T HN 0.766 nan 8.240 nan 0.000 0.554 105 R N -1.292 119.119 120.500 -0.150 0.000 2.824 105 R HA 0.559 4.899 4.340 -0.000 0.000 0.267 105 R C -0.315 175.990 176.300 0.008 0.000 1.035 105 R CA -0.579 55.471 56.100 -0.083 0.000 0.887 105 R CB 0.185 30.456 30.300 -0.047 0.000 1.262 105 R HN 0.609 nan 8.270 nan 0.000 0.487 106 G N 1.300 110.128 108.800 0.047 0.000 2.661 106 G HA2 -0.133 3.827 3.960 -0.000 0.000 0.685 106 G HA3 -0.133 3.827 3.960 -0.000 0.000 0.685 106 G C -1.112 173.888 174.900 0.167 0.000 1.298 106 G CA -0.359 44.794 45.100 0.087 0.000 0.855 106 G HN 0.841 nan 8.290 nan 0.000 0.560 107 K N 0.293 120.752 120.400 0.098 0.000 2.511 107 K HA 0.069 4.389 4.320 -0.000 0.000 0.277 107 K C 0.910 177.517 176.600 0.012 0.000 1.025 107 K CA 0.466 56.790 56.287 0.061 0.000 1.112 107 K CB 0.238 32.750 32.500 0.021 0.000 0.859 107 K HN 0.726 nan 8.250 nan 0.000 0.485 108 R N 2.365 122.817 120.500 -0.080 0.000 2.410 108 R HA 0.152 4.492 4.340 -0.000 0.000 0.288 108 R C -1.100 175.077 176.300 -0.205 0.000 1.051 108 R CA -0.346 55.514 56.100 -0.400 0.000 1.021 108 R CB 0.971 31.076 30.300 -0.325 0.000 1.032 108 R HN 0.537 nan 8.270 nan 0.000 0.481 109 S N 3.303 118.889 115.700 -0.191 0.000 2.496 109 S HA 0.159 4.629 4.470 -0.000 0.000 0.221 109 S C -1.689 172.928 174.600 0.028 0.000 1.260 109 S CA -0.899 57.268 58.200 -0.055 0.000 1.181 109 S CB 1.009 64.187 63.200 -0.036 0.000 1.136 109 S HN 0.596 nan 8.310 nan 0.000 0.467 110 D N 2.861 123.267 120.400 0.009 0.000 2.308 110 D HA 0.466 5.106 4.640 -0.000 0.000 0.251 110 D C 0.338 176.684 176.300 0.076 0.000 1.127 110 D CA 0.009 54.044 54.000 0.057 0.000 0.876 110 D CB 1.437 42.250 40.800 0.022 0.000 1.176 110 D HN 0.393 nan 8.370 nan 0.000 0.446 111 V N -0.785 119.214 119.914 0.141 0.000 3.181 111 V HA 0.674 4.794 4.120 -0.000 0.000 0.308 111 V C -0.855 175.357 176.094 0.196 0.000 1.214 111 V CA -0.915 61.479 62.300 0.156 0.000 1.053 111 V CB 2.139 34.063 31.823 0.170 0.000 1.069 111 V HN 0.167 nan 8.190 nan 0.000 0.441 112 V N 1.606 121.650 119.914 0.216 0.000 2.409 112 V HA 0.534 4.654 4.120 -0.000 0.000 0.291 112 V C -0.204 176.069 176.094 0.300 0.000 1.020 112 V CA -0.190 62.276 62.300 0.276 0.000 0.848 112 V CB 1.348 33.324 31.823 0.254 0.000 0.990 112 V HN 1.027 nan 8.190 nan 0.000 0.430 113 E N 3.338 123.789 120.200 0.418 0.000 2.179 113 E HA 0.563 4.913 4.350 -0.000 0.000 0.275 113 E C -1.233 175.689 176.600 0.536 0.000 0.945 113 E CA -0.624 56.089 56.400 0.521 0.000 0.792 113 E CB 2.499 32.690 29.700 0.818 0.000 1.125 113 E HN 0.435 nan 8.360 nan 0.000 0.397 114 V N 3.562 123.662 119.914 0.309 0.000 2.328 114 V HA 0.279 4.399 4.120 -0.000 0.000 0.278 114 V C -0.954 175.236 176.094 0.161 0.000 1.021 114 V CA -0.778 61.717 62.300 0.325 0.000 0.838 114 V CB -0.000 31.926 31.823 0.173 0.000 0.999 114 V HN 0.593 nan 8.190 nan 0.000 0.447 115 W N 1.848 123.211 121.300 0.105 0.000 2.570 115 W HA 0.505 5.165 4.660 -0.000 0.000 0.337 115 W C 0.119 176.652 176.519 0.023 0.000 1.067 115 W CA -0.955 56.427 57.345 0.062 0.000 1.229 115 W CB 0.914 30.449 29.460 0.126 0.000 1.355 115 W HN 0.557 nan 8.180 nan 0.000 0.555 116 D N 0.919 121.455 120.400 0.227 0.000 2.389 116 D HA 0.339 4.979 4.640 -0.000 0.000 0.247 116 D C 1.038 177.443 176.300 0.175 0.000 1.128 116 D CA 0.403 54.487 54.000 0.140 0.000 0.884 116 D CB 1.580 42.433 40.800 0.089 0.000 1.194 116 D HN 0.401 nan 8.370 nan 0.000 0.441 117 A N 3.677 126.572 122.820 0.125 0.000 1.873 117 A HA -0.159 4.161 4.320 -0.000 0.000 0.215 117 A C 1.708 179.396 177.584 0.174 0.000 1.186 117 A CA 1.361 53.493 52.037 0.158 0.000 0.616 117 A CB -0.317 18.795 19.000 0.187 0.000 0.823 117 A HN 0.692 nan 8.150 nan 0.000 0.442 118 D N -0.652 119.826 120.400 0.130 0.000 2.194 118 D HA -0.025 4.615 4.640 -0.000 0.000 0.204 118 D C 1.722 178.081 176.300 0.098 0.000 0.964 118 D CA 0.837 54.895 54.000 0.098 0.000 0.846 118 D CB -0.058 40.781 40.800 0.065 0.000 0.962 118 D HN 0.217 nan 8.370 nan 0.000 0.490 119 K N 0.183 120.649 120.400 0.110 0.000 2.323 119 K HA 0.174 4.494 4.320 -0.000 0.000 0.197 119 K C 0.743 177.444 176.600 0.169 0.000 1.043 119 K CA -0.113 56.243 56.287 0.116 0.000 0.997 119 K CB 0.664 33.219 32.500 0.091 0.000 0.807 119 K HN 0.153 nan 8.250 nan 0.000 0.497 120 L N 2.340 123.693 121.223 0.217 0.000 3.634 120 L HA -0.200 4.140 4.340 -0.000 0.000 0.423 120 L C -0.193 176.983 176.870 0.511 0.000 1.253 120 L CA 0.686 55.712 54.840 0.311 0.000 0.885 120 L CB -2.364 39.816 42.059 0.202 0.000 1.789 120 L HN 0.239 nan 8.230 nan 0.000 0.904 121 T N -3.152 111.671 114.554 0.448 0.000 2.885 121 T HA 0.602 4.952 4.350 -0.000 0.000 0.285 121 T C -0.443 174.222 174.700 -0.058 0.000 1.019 121 T CA -0.768 61.512 62.100 0.299 0.000 1.010 121 T CB 2.369 71.301 68.868 0.107 0.000 1.022 121 T HN 0.149 nan 8.240 nan 0.000 0.466 122 F N 1.644 121.045 119.950 -0.916 0.000 2.484 122 F HA 0.374 4.901 4.527 -0.000 0.000 0.360 122 F C 0.968 176.409 175.800 -0.598 0.000 1.101 122 F CA -0.301 56.811 58.000 -1.479 0.000 1.251 122 F CB 0.712 38.853 39.000 -1.432 0.000 1.132 122 F HN 0.862 nan 8.300 nan 0.000 0.570 123 E N 2.984 122.309 120.200 -1.459 0.000 2.505 123 E HA 0.138 4.488 4.350 -0.000 0.000 0.212 123 E C -0.529 175.453 176.600 -1.030 0.000 0.825 123 E CA -0.241 55.595 56.400 -0.940 0.000 1.333 123 E CB 0.875 30.311 29.700 -0.440 0.000 1.319 123 E HN 0.486 nan 8.360 nan 0.000 0.658 124 K N 1.113 120.736 120.400 -1.295 0.000 2.572 124 K HA 0.202 4.522 4.320 -0.000 0.000 0.263 124 K C -2.009 174.474 176.600 -0.196 0.000 0.932 124 K CA -0.364 55.574 56.287 -0.582 0.000 0.838 124 K CB 2.412 34.749 32.500 -0.272 0.000 1.366 124 K HN -0.067 nan 8.250 nan 0.000 0.425 125 E N 4.639 124.912 120.200 0.121 0.000 2.187 125 E HA 0.408 4.758 4.350 -0.000 0.000 0.268 125 E C -1.243 175.431 176.600 0.122 0.000 0.896 125 E CA -0.726 55.822 56.400 0.246 0.000 0.766 125 E CB 1.230 31.101 29.700 0.285 0.000 1.142 125 E HN 0.465 nan 8.360 nan 0.000 0.408 126 I N 3.224 123.869 120.570 0.124 0.000 2.389 126 I HA 0.183 4.353 4.170 -0.000 0.000 0.288 126 I C -0.104 176.070 176.117 0.095 0.000 0.999 126 I CA -0.663 60.693 61.300 0.094 0.000 1.129 126 I CB 1.949 40.001 38.000 0.087 0.000 1.288 126 I HN 0.435 nan 8.210 nan 0.000 0.444 127 S N 6.994 122.733 115.700 0.065 0.000 2.558 127 S HA 0.364 4.834 4.470 -0.000 0.000 0.288 127 S C -0.186 174.422 174.600 0.014 0.000 1.318 127 S CA -0.119 58.099 58.200 0.030 0.000 1.056 127 S CB 0.301 63.507 63.200 0.011 0.000 0.853 127 S HN 0.344 nan 8.310 nan 0.000 0.505 128 L N 3.622 124.814 121.223 -0.051 0.000 2.371 128 L HA 0.524 4.864 4.340 -0.000 0.000 0.262 128 L C -2.350 174.363 176.870 -0.261 0.000 1.006 128 L CA -2.483 52.246 54.840 -0.185 0.000 0.818 128 L CB 2.254 44.282 42.059 -0.051 0.000 1.354 128 L HN 0.392 nan 8.230 nan 0.000 0.415 129 P HA 0.140 nan 4.420 nan 0.000 0.276 129 P C -2.468 174.737 177.300 -0.158 0.000 1.230 129 P CA -1.478 61.445 63.100 -0.296 0.000 0.776 129 P CB 0.167 31.638 31.700 -0.381 0.000 0.888 130 P HA -0.045 nan 4.420 nan 0.000 0.229 130 P C 0.232 177.531 177.300 -0.002 0.000 1.597 130 P CA 0.641 63.720 63.100 -0.035 0.000 1.030 130 P CB -0.697 30.988 31.700 -0.025 0.000 1.897 131 K N -0.107 120.293 120.400 0.000 0.000 2.618 131 K HA 0.104 4.424 4.320 -0.000 0.000 0.205 131 K C 0.347 176.982 176.600 0.058 0.000 1.445 131 K CA -0.666 55.645 56.287 0.039 0.000 1.034 131 K CB -0.050 32.473 32.500 0.037 0.000 1.209 131 K HN -0.025 nan 8.250 nan 0.000 0.627 132 R N 1.465 121.988 120.500 0.038 0.000 2.583 132 R HA 0.092 4.432 4.340 -0.000 0.000 0.274 132 R C 0.204 176.531 176.300 0.046 0.000 0.998 132 R CA -0.308 55.812 56.100 0.032 0.000 1.081 132 R CB -0.007 30.300 30.300 0.012 0.000 0.940 132 R HN 0.039 nan 8.270 nan 0.000 0.413 133 V N 3.085 123.012 119.914 0.022 0.000 2.752 133 V HA -0.053 4.067 4.120 -0.000 0.000 0.306 133 V C -0.254 175.888 176.094 0.080 0.000 1.099 133 V CA 0.888 63.242 62.300 0.089 0.000 1.240 133 V CB 0.244 32.093 31.823 0.044 0.000 0.887 133 V HN 0.881 nan 8.190 nan 0.000 0.499 134 Q N 5.124 125.027 119.800 0.171 0.000 2.320 134 Q HA 0.708 5.048 4.340 -0.000 0.000 0.268 134 Q C -0.060 176.051 176.000 0.185 0.000 1.023 134 Q CA 0.052 55.956 55.803 0.168 0.000 0.744 134 Q CB 1.913 30.780 28.738 0.215 0.000 1.246 134 Q HN 1.149 nan 8.270 nan 0.000 0.462 135 G N 1.161 110.071 108.800 0.184 0.000 2.315 135 G HA2 0.171 4.131 3.960 -0.000 0.000 0.294 135 G HA3 0.171 4.131 3.960 -0.000 0.000 0.294 135 G C -1.230 173.756 174.900 0.142 0.000 1.300 135 G CA -1.141 44.054 45.100 0.160 0.000 0.843 135 G HN 0.417 nan 8.290 nan 0.000 0.527 136 L N 0.705 121.971 121.223 0.072 0.000 2.554 136 L HA 0.018 4.358 4.340 -0.000 0.000 0.293 136 L C 0.561 177.464 176.870 0.054 0.000 1.252 136 L CA -0.053 54.742 54.840 -0.074 0.000 0.862 136 L CB 0.179 42.147 42.059 -0.152 0.000 1.113 136 L HN 0.490 nan 8.230 nan 0.000 0.510 137 N N 2.550 121.131 118.700 -0.198 0.000 3.103 137 N HA 0.061 4.801 4.740 -0.000 0.000 0.305 137 N C -0.757 174.756 175.510 0.004 0.000 1.232 137 N CA 0.122 53.090 53.050 -0.136 0.000 1.190 137 N CB -0.146 38.130 38.487 -0.352 0.000 1.461 137 N HN 0.358 nan 8.380 nan 0.000 0.538 138 Y N 0.638 121.056 120.300 0.197 0.000 2.359 138 Y HA 0.000 4.550 4.550 -0.000 0.000 0.330 138 Y C 1.694 177.698 175.900 0.173 0.000 1.143 138 Y CA -0.362 57.857 58.100 0.198 0.000 1.318 138 Y CB 0.819 39.427 38.460 0.247 0.000 1.234 138 Y HN 0.197 nan 8.280 nan 0.000 0.522 139 D N 2.454 123.020 120.400 0.278 0.000 2.133 139 D HA -0.167 4.473 4.640 -0.000 0.000 0.195 139 D C 2.102 178.505 176.300 0.171 0.000 0.997 139 D CA 1.647 55.767 54.000 0.201 0.000 0.840 139 D CB -0.456 40.434 40.800 0.150 0.000 0.947 139 D HN 0.905 nan 8.370 nan 0.000 0.452 140 G N -0.059 108.840 108.800 0.165 0.000 2.740 140 G HA2 -0.087 3.873 3.960 -0.000 0.000 0.208 140 G HA3 -0.087 3.873 3.960 -0.000 0.000 0.208 140 G C 1.209 176.079 174.900 -0.050 0.000 1.148 140 G CA 0.121 45.255 45.100 0.056 0.000 0.795 140 G HN 0.293 nan 8.290 nan 0.000 0.526 141 L N -1.490 119.738 121.223 0.009 0.000 2.693 141 L HA 0.466 4.806 4.340 -0.000 0.000 0.235 141 L C -0.175 176.706 176.870 0.018 0.000 1.127 141 L CA -0.161 54.606 54.840 -0.121 0.000 0.914 141 L CB 0.524 42.488 42.059 -0.157 0.000 1.193 141 L HN 0.096 nan 8.230 nan 0.000 0.502 142 F N 1.614 121.503 119.950 -0.102 0.000 3.358 142 F HA 0.430 4.957 4.527 -0.000 0.000 0.396 142 F C -0.406 175.377 175.800 -0.027 0.000 1.225 142 F CA -0.735 57.226 58.000 -0.065 0.000 1.280 142 F CB 0.370 39.377 39.000 0.013 0.000 2.012 142 F HN -0.187 nan 8.300 nan 0.000 0.685 143 R N 2.331 122.711 120.500 -0.201 0.000 3.018 143 R HA 0.639 4.979 4.340 -0.000 0.000 0.243 143 R C -0.970 175.174 176.300 -0.259 0.000 1.315 143 R CA -0.899 55.084 56.100 -0.196 0.000 1.039 143 R CB 1.746 31.967 30.300 -0.132 0.000 1.315 143 R HN 0.627 nan 8.270 nan 0.000 0.492 144 Q N -0.651 119.058 119.800 -0.153 0.000 2.416 144 Q HA 0.394 4.734 4.340 -0.000 0.000 0.281 144 Q C -0.835 175.145 176.000 -0.033 0.000 1.067 144 Q CA -0.882 54.860 55.803 -0.102 0.000 0.809 144 Q CB 1.758 30.468 28.738 -0.046 0.000 1.418 144 Q HN 0.632 nan 8.270 nan 0.000 0.411 145 T N -0.405 114.168 114.554 0.032 0.000 2.855 145 T HA 0.026 4.376 4.350 -0.000 0.000 0.322 145 T C 1.028 175.762 174.700 0.058 0.000 1.088 145 T CA 0.489 62.648 62.100 0.098 0.000 1.104 145 T CB 0.536 69.543 68.868 0.231 0.000 0.996 145 T HN 0.643 nan 8.240 nan 0.000 0.549 146 T N 1.521 116.114 114.554 0.066 0.000 2.720 146 T HA -0.127 4.223 4.350 -0.000 0.000 0.268 146 T C 1.505 176.223 174.700 0.031 0.000 1.037 146 T CA 1.781 63.907 62.100 0.044 0.000 1.144 146 T CB -0.657 68.242 68.868 0.052 0.000 0.864 146 T HN 0.952 nan 8.240 nan 0.000 0.444 147 D N 0.694 121.116 120.400 0.037 0.000 2.378 147 D HA 0.162 4.801 4.640 -0.000 0.000 0.227 147 D C 1.431 177.710 176.300 -0.034 0.000 1.012 147 D CA 0.651 54.656 54.000 0.007 0.000 0.905 147 D CB -1.069 39.740 40.800 0.014 0.000 0.895 147 D HN 0.417 nan 8.370 nan 0.000 0.532 148 G N 0.572 109.357 108.800 -0.026 0.000 2.233 148 G HA2 -0.373 3.587 3.960 -0.000 0.000 0.270 148 G HA3 -0.373 3.587 3.960 -0.000 0.000 0.270 148 G C 1.154 175.973 174.900 -0.136 0.000 1.011 148 G CA 0.679 45.752 45.100 -0.043 0.000 0.762 148 G HN 0.338 nan 8.290 nan 0.000 0.511 149 K N -1.195 119.038 120.400 -0.278 0.000 2.262 149 K HA 0.265 4.585 4.320 -0.000 0.000 0.200 149 K C 0.596 176.608 176.600 -0.980 0.000 1.049 149 K CA 0.741 56.619 56.287 -0.681 0.000 0.979 149 K CB 0.207 32.123 32.500 -0.974 0.000 0.773 149 K HN 0.478 nan 8.250 nan 0.000 0.474 150 F N 0.011 119.927 119.950 -0.056 0.000 2.563 150 F HA 0.461 4.988 4.527 -0.000 0.000 0.316 150 F C 0.154 175.861 175.800 -0.156 0.000 1.076 150 F CA -1.083 56.855 58.000 -0.104 0.000 0.921 150 F CB 1.476 40.428 39.000 -0.081 0.000 1.209 150 F HN -0.333 nan 8.300 nan 0.000 0.462 151 I N 2.903 123.449 120.570 -0.040 0.000 2.336 151 I HA 0.393 4.563 4.170 -0.000 0.000 0.292 151 I C -0.949 175.059 176.117 -0.181 0.000 0.991 151 I CA -0.852 60.325 61.300 -0.205 0.000 1.227 151 I CB 1.525 39.322 38.000 -0.339 0.000 1.366 151 I HN 0.237 nan 8.210 nan 0.000 0.466 152 V N 7.573 127.328 119.914 -0.264 0.000 2.334 152 V HA 0.372 4.492 4.120 -0.000 0.000 0.281 152 V C -0.076 175.865 176.094 -0.255 0.000 1.016 152 V CA -0.590 61.502 62.300 -0.347 0.000 0.832 152 V CB 1.122 32.546 31.823 -0.664 0.000 0.999 152 V HN 0.509 nan 8.190 nan 0.000 0.439 153 L N 2.542 123.691 121.223 -0.125 0.000 2.322 153 L HA 0.925 5.265 4.340 -0.000 0.000 0.269 153 L C -0.429 176.383 176.870 -0.097 0.000 1.012 153 L CA -0.840 53.999 54.840 -0.002 0.000 0.815 153 L CB 1.507 43.681 42.059 0.191 0.000 1.295 153 L HN 0.459 nan 8.230 nan 0.000 0.438 154 Q N 1.679 121.383 119.800 -0.160 0.000 2.257 154 Q HA 0.486 4.826 4.340 -0.000 0.000 0.255 154 Q C -1.310 174.613 176.000 -0.129 0.000 0.920 154 Q CA -0.110 55.535 55.803 -0.263 0.000 0.927 154 Q CB 1.232 29.602 28.738 -0.614 0.000 1.229 154 Q HN 0.769 nan 8.270 nan 0.000 0.433 155 N N 1.494 120.179 118.700 -0.024 0.000 2.471 155 N HA 0.873 5.613 4.740 -0.000 0.000 0.288 155 N C -1.576 174.046 175.510 0.187 0.000 1.220 155 N CA -0.433 52.665 53.050 0.079 0.000 0.893 155 N CB 1.969 40.515 38.487 0.099 0.000 1.256 155 N HN 0.652 nan 8.380 nan 0.000 0.534 156 A N -0.337 122.596 122.820 0.188 0.000 2.532 156 A HA 0.489 4.809 4.320 -0.000 0.000 0.296 156 A C -0.539 177.125 177.584 0.133 0.000 1.058 156 A CA -0.556 51.609 52.037 0.213 0.000 0.729 156 A CB 0.512 19.688 19.000 0.294 0.000 1.285 156 A HN 0.653 nan 8.150 nan 0.000 0.396 157 S N 1.183 116.945 115.700 0.103 0.000 3.101 157 S HA 0.286 4.756 4.470 -0.000 0.000 0.252 157 S C -1.074 173.560 174.600 0.057 0.000 0.920 157 S CA 0.317 58.562 58.200 0.075 0.000 1.158 157 S CB -0.076 63.162 63.200 0.063 0.000 1.125 157 S HN 0.661 nan 8.310 nan 0.000 0.608 158 P HA 0.400 nan 4.420 nan 0.000 0.240 158 P C 0.596 177.936 177.300 0.066 0.000 1.190 158 P CA 0.092 63.225 63.100 0.056 0.000 0.781 158 P CB -0.173 31.544 31.700 0.027 0.000 0.931 159 A N 1.559 124.415 122.820 0.061 0.000 2.565 159 A HA 0.304 4.624 4.320 -0.000 0.000 0.237 159 A C 0.816 178.467 177.584 0.112 0.000 1.053 159 A CA 0.285 52.363 52.037 0.069 0.000 0.755 159 A CB -0.345 18.688 19.000 0.056 0.000 0.980 159 A HN 0.421 nan 8.150 nan 0.000 0.506 160 T N 0.290 114.929 114.554 0.142 0.000 2.899 160 T HA 0.683 5.033 4.350 -0.000 0.000 0.284 160 T C 0.021 174.810 174.700 0.148 0.000 1.004 160 T CA 0.074 62.300 62.100 0.209 0.000 1.043 160 T CB 0.979 70.043 68.868 0.326 0.000 1.013 160 T HN 1.829 nan 8.240 nan 0.000 0.518 161 S N 0.530 116.312 115.700 0.137 0.000 2.565 161 S HA 0.529 4.999 4.470 -0.000 0.000 0.274 161 S C -1.222 173.422 174.600 0.073 0.000 1.144 161 S CA -1.176 57.085 58.200 0.101 0.000 0.849 161 S CB 0.547 63.808 63.200 0.102 0.000 1.103 161 S HN 0.798 nan 8.310 nan 0.000 0.455 162 I N 1.944 122.551 120.570 0.062 0.000 2.321 162 I HA 0.549 4.719 4.170 -0.000 0.000 0.291 162 I C 0.932 177.057 176.117 0.013 0.000 0.998 162 I CA -0.513 60.794 61.300 0.012 0.000 1.227 162 I CB 1.440 39.459 38.000 0.030 0.000 1.368 162 I HN 0.941 nan 8.210 nan 0.000 0.466 163 G N 7.249 116.055 108.800 0.010 0.000 2.420 163 G HA2 0.607 4.567 3.960 -0.000 0.000 0.284 163 G HA3 0.607 4.567 3.960 -0.000 0.000 0.284 163 G C -0.545 174.221 174.900 -0.223 0.000 1.177 163 G CA -0.344 44.743 45.100 -0.023 0.000 0.841 163 G HN 0.375 nan 8.290 nan 0.000 0.527 164 I N 1.784 122.067 120.570 -0.478 0.000 2.447 164 I HA 0.291 4.461 4.170 -0.000 0.000 0.287 164 I C -0.466 175.432 176.117 -0.366 0.000 1.023 164 I CA -0.769 60.322 61.300 -0.348 0.000 1.083 164 I CB 1.482 39.297 38.000 -0.308 0.000 1.245 164 I HN 0.068 nan 8.210 nan 0.000 0.434 165 V N 4.854 124.689 119.914 -0.132 0.000 2.495 165 V HA 0.312 4.432 4.120 -0.000 0.000 0.298 165 V C 0.002 176.157 176.094 0.101 0.000 1.031 165 V CA -0.712 61.566 62.300 -0.037 0.000 0.871 165 V CB 2.350 34.169 31.823 -0.007 0.000 0.988 165 V HN 0.617 nan 8.190 nan 0.000 0.432 166 D N 3.588 124.062 120.400 0.125 0.000 2.365 166 D HA 0.174 4.814 4.640 -0.000 0.000 0.237 166 D C 1.033 177.305 176.300 -0.048 0.000 1.190 166 D CA 0.024 54.107 54.000 0.139 0.000 0.867 166 D CB 1.891 42.789 40.800 0.164 0.000 1.050 166 D HN 0.275 nan 8.370 nan 0.000 0.491 167 V N 4.720 124.535 119.914 -0.164 0.000 2.252 167 V HA -0.318 3.802 4.120 -0.000 0.000 0.249 167 V C 2.469 178.496 176.094 -0.113 0.000 1.056 167 V CA 2.339 64.532 62.300 -0.178 0.000 1.022 167 V CB -0.809 30.897 31.823 -0.196 0.000 0.641 167 V HN 0.697 nan 8.190 nan 0.000 0.445 168 A N -0.155 122.592 122.820 -0.122 0.000 1.841 168 A HA -0.289 4.031 4.320 -0.000 0.000 0.216 168 A C 2.273 179.830 177.584 -0.045 0.000 1.199 168 A CA 2.326 54.316 52.037 -0.077 0.000 0.621 168 A CB -0.643 18.306 19.000 -0.085 0.000 0.835 168 A HN 0.529 nan 8.150 nan 0.000 0.445 169 K N -1.493 118.890 120.400 -0.029 0.000 2.211 169 K HA -0.014 4.306 4.320 -0.000 0.000 0.204 169 K C 1.026 177.624 176.600 -0.002 0.000 1.047 169 K CA 0.633 56.918 56.287 -0.003 0.000 0.935 169 K CB -0.456 32.057 32.500 0.023 0.000 0.728 169 K HN 0.886 nan 8.250 nan 0.000 0.452 170 G N 2.231 111.023 108.800 -0.014 0.000 2.314 170 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.292 170 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.292 170 G C -0.741 174.174 174.900 0.025 0.000 1.059 170 G CA 0.368 45.464 45.100 -0.008 0.000 0.982 170 G HN 0.333 nan 8.290 nan 0.000 0.505 171 D N -1.516 118.909 120.400 0.043 0.000 2.753 171 D HA 0.300 4.940 4.640 -0.000 0.000 0.224 171 D C -0.659 175.709 176.300 0.113 0.000 1.213 171 D CA -0.631 53.418 54.000 0.082 0.000 0.833 171 D CB 1.280 42.121 40.800 0.069 0.000 1.607 171 D HN 0.069 nan 8.370 nan 0.000 0.463 172 Y N 3.001 123.317 120.300 0.026 0.000 2.674 172 Y HA 0.097 4.647 4.550 -0.000 0.000 0.354 172 Y C 1.337 177.251 175.900 0.025 0.000 1.089 172 Y CA 0.244 58.360 58.100 0.026 0.000 1.444 172 Y CB 0.178 38.652 38.460 0.024 0.000 1.187 172 Y HN 0.205 nan 8.280 nan 0.000 0.523 173 V N 1.862 121.656 119.914 -0.200 0.000 2.326 173 V HA 0.089 4.209 4.120 -0.000 0.000 0.238 173 V C 0.436 176.413 176.094 -0.195 0.000 1.038 173 V CA 0.889 63.109 62.300 -0.134 0.000 1.032 173 V CB -0.412 31.358 31.823 -0.089 0.000 0.675 173 V HN 0.553 nan 8.190 nan 0.000 0.467 174 E N 0.046 120.047 120.200 -0.332 0.000 2.235 174 E HA 0.357 4.707 4.350 -0.000 0.000 0.265 174 E C -1.142 175.296 176.600 -0.270 0.000 0.940 174 E CA -0.649 55.611 56.400 -0.233 0.000 0.819 174 E CB 1.607 31.191 29.700 -0.193 0.000 1.206 174 E HN 0.430 nan 8.360 nan 0.000 0.409 175 D N 3.519 123.885 120.400 -0.056 0.000 2.441 175 D HA 0.167 4.807 4.640 -0.000 0.000 0.287 175 D C -0.794 175.533 176.300 0.045 0.000 1.198 175 D CA -0.363 53.678 54.000 0.067 0.000 0.894 175 D CB 0.803 41.722 40.800 0.197 0.000 1.070 175 D HN 0.235 nan 8.370 nan 0.000 0.499 176 V N 3.335 123.264 119.914 0.025 0.000 2.456 176 V HA -0.065 4.055 4.120 -0.000 0.000 0.247 176 V C 2.017 178.145 176.094 0.056 0.000 1.056 176 V CA 0.809 63.134 62.300 0.041 0.000 1.203 176 V CB -0.583 31.291 31.823 0.085 0.000 1.185 176 V HN 0.495 nan 8.190 nan 0.000 0.477 177 T N 0.274 114.856 114.554 0.046 0.000 3.113 177 T HA 0.070 4.420 4.350 -0.000 0.000 0.256 177 T C 1.750 176.474 174.700 0.040 0.000 1.131 177 T CA 0.659 62.789 62.100 0.050 0.000 1.074 177 T CB 0.200 69.096 68.868 0.045 0.000 0.944 177 T HN 0.630 nan 8.240 nan 0.000 0.516 178 A N 1.376 124.213 122.820 0.027 0.000 2.067 178 A HA 0.506 4.826 4.320 -0.000 0.000 0.219 178 A C 2.528 180.129 177.584 0.028 0.000 1.158 178 A CA 1.022 53.068 52.037 0.016 0.000 0.661 178 A CB -0.941 18.056 19.000 -0.005 0.000 0.801 178 A HN 0.684 nan 8.150 nan 0.000 0.452 179 A N -0.346 122.504 122.820 0.050 0.000 2.235 179 A HA 0.523 4.843 4.320 -0.000 0.000 0.208 179 A C 1.321 178.954 177.584 0.081 0.000 1.172 179 A CA 0.590 52.669 52.037 0.070 0.000 0.786 179 A CB -0.957 18.104 19.000 0.101 0.000 0.804 179 A HN 1.021 nan 8.150 nan 0.000 0.479 180 A N -0.663 122.199 122.820 0.070 0.000 2.567 180 A HA 0.410 4.730 4.320 -0.000 0.000 0.240 180 A C 1.595 179.219 177.584 0.067 0.000 1.053 180 A CA 0.741 52.824 52.037 0.075 0.000 0.755 180 A CB -0.697 18.336 19.000 0.056 0.000 0.978 180 A HN 1.996 nan 8.150 nan 0.000 0.507 181 G N 0.625 109.474 108.800 0.082 0.000 2.141 181 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.242 181 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.242 181 G C 0.242 175.189 174.900 0.080 0.000 0.982 181 G CA 0.176 45.311 45.100 0.058 0.000 0.662 181 G HN 1.258 nan 8.290 nan 0.000 0.527 182 c N -1.321 117.362 118.600 0.138 0.000 3.157 182 c HA 0.988 5.558 4.570 -0.000 0.000 0.368 182 c C -0.108 174.192 174.090 0.350 0.000 1.623 182 c CA -0.857 55.578 56.329 0.176 0.000 1.530 182 c CB 1.899 44.484 42.510 0.126 0.000 2.152 182 c HN 0.639 nan 8.230 nan 0.000 0.456 183 W N 0.393 121.708 121.300 0.026 0.000 3.275 183 W HA 0.459 5.119 4.660 -0.000 0.000 0.306 183 W C -0.716 175.824 176.519 0.035 0.000 1.259 183 W CA 0.390 57.747 57.345 0.021 0.000 1.194 183 W CB 1.485 30.943 29.460 -0.004 0.000 1.375 183 W HN 1.303 nan 8.180 nan 0.000 0.564 184 S N 0.859 116.154 115.700 -0.674 0.000 3.547 184 S HA -0.192 4.278 4.470 -0.000 0.000 0.832 184 S C -1.603 172.900 174.600 -0.163 0.000 1.254 184 S CA 0.066 58.019 58.200 -0.413 0.000 0.991 184 S CB -1.308 61.810 63.200 -0.137 0.000 0.544 184 S HN 1.007 nan 8.310 nan 0.000 0.369 185 V N 2.750 122.585 119.914 -0.131 0.000 2.487 185 V HA 0.641 4.761 4.120 -0.000 0.000 0.298 185 V C 0.154 176.251 176.094 0.005 0.000 1.028 185 V CA -0.595 61.657 62.300 -0.080 0.000 0.860 185 V CB 1.485 33.150 31.823 -0.264 0.000 0.991 185 V HN 0.786 nan 8.190 nan 0.000 0.427 186 I N 6.652 127.275 120.570 0.087 0.000 2.405 186 I HA 0.375 4.545 4.170 -0.000 0.000 0.280 186 I C -2.618 173.534 176.117 0.057 0.000 1.027 186 I CA -1.894 59.460 61.300 0.090 0.000 1.161 186 I CB 1.852 39.950 38.000 0.163 0.000 1.300 186 I HN 0.391 nan 8.210 nan 0.000 0.463 187 P HA 0.118 nan 4.420 nan 0.000 0.271 187 P C -0.972 176.281 177.300 -0.077 0.000 1.216 187 P CA -0.254 62.862 63.100 0.026 0.000 0.776 187 P CB 0.508 32.219 31.700 0.019 0.000 0.881 188 Q N 4.396 124.102 119.800 -0.156 0.000 2.360 188 Q HA 0.164 4.504 4.340 -0.000 0.000 0.254 188 Q C -1.671 174.333 176.000 0.008 0.000 0.975 188 Q CA -1.590 54.022 55.803 -0.317 0.000 0.912 188 Q CB 0.791 29.210 28.738 -0.532 0.000 1.212 188 Q HN 0.353 nan 8.270 nan 0.000 0.452 189 P HA -0.156 nan 4.420 nan 0.000 0.225 189 P C 0.464 177.848 177.300 0.140 0.000 1.148 189 P CA 1.031 64.211 63.100 0.134 0.000 0.779 189 P CB 0.254 32.042 31.700 0.146 0.000 0.780 190 N N -1.023 117.803 118.700 0.211 0.000 2.336 190 N HA -0.002 4.738 4.740 -0.000 0.000 0.189 190 N C 0.229 175.809 175.510 0.116 0.000 1.113 190 N CA 0.259 53.405 53.050 0.160 0.000 0.858 190 N CB 0.040 38.643 38.487 0.194 0.000 0.970 190 N HN 0.099 nan 8.380 nan 0.000 0.471 191 R N 0.494 121.051 120.500 0.094 0.000 2.621 191 R HA 0.306 4.646 4.340 -0.000 0.000 0.284 191 R C -1.765 174.570 176.300 0.058 0.000 0.998 191 R CA -1.624 54.514 56.100 0.063 0.000 0.895 191 R CB 2.346 32.672 30.300 0.043 0.000 1.195 191 R HN -0.086 nan 8.270 nan 0.000 0.450 192 P HA -0.225 nan 4.420 nan 0.000 0.213 192 P C -0.233 177.128 177.300 0.102 0.000 1.176 192 P CA 1.695 64.837 63.100 0.069 0.000 0.919 192 P CB 0.221 31.960 31.700 0.066 0.000 0.791 193 R N -1.160 119.406 120.500 0.110 0.000 2.738 193 R HA 0.652 4.992 4.340 -0.000 0.000 0.280 193 R C -0.669 175.683 176.300 0.087 0.000 1.456 193 R CA -0.386 55.809 56.100 0.158 0.000 1.612 193 R CB 0.419 30.859 30.300 0.233 0.000 1.286 193 R HN -0.149 nan 8.270 nan 0.000 0.660 194 S N 1.380 117.120 115.700 0.068 0.000 2.570 194 S HA 0.825 5.295 4.470 -0.000 0.000 0.286 194 S C -1.107 173.513 174.600 0.034 0.000 1.099 194 S CA -0.676 57.489 58.200 -0.059 0.000 0.913 194 S CB 1.343 64.475 63.200 -0.112 0.000 1.085 194 S HN 0.461 nan 8.310 nan 0.000 0.480 195 F N -0.764 119.112 119.950 -0.123 0.000 2.741 195 F HA 0.778 5.305 4.527 -0.000 0.000 0.313 195 F C -1.228 174.494 175.800 -0.131 0.000 1.153 195 F CA -1.289 56.627 58.000 -0.141 0.000 0.931 195 F CB 0.941 39.882 39.000 -0.098 0.000 1.335 195 F HN 0.412 nan 8.300 nan 0.000 0.460 196 M N 0.818 120.490 119.600 0.121 0.000 2.796 196 M HA 0.721 5.201 4.480 -0.000 0.000 0.303 196 M C -1.012 175.397 176.300 0.181 0.000 1.240 196 M CA -0.850 54.486 55.300 0.059 0.000 0.831 196 M CB 2.556 35.165 32.600 0.014 0.000 1.750 196 M HN 0.819 nan 8.290 nan 0.000 0.484 197 T N 0.693 115.319 114.554 0.120 0.000 2.932 197 T HA 0.627 4.977 4.350 -0.000 0.000 0.318 197 T C -1.595 173.159 174.700 0.091 0.000 1.265 197 T CA -0.628 61.545 62.100 0.122 0.000 1.036 197 T CB 1.188 70.135 68.868 0.133 0.000 1.209 197 T HN 0.528 nan 8.240 nan 0.000 0.484 198 I N 3.166 123.801 120.570 0.107 0.000 2.371 198 I HA 0.399 4.569 4.170 -0.000 0.000 0.290 198 I C 0.248 176.429 176.117 0.107 0.000 1.028 198 I CA -0.611 60.746 61.300 0.096 0.000 1.345 198 I CB 0.743 38.812 38.000 0.114 0.000 1.407 198 I HN 0.533 nan 8.210 nan 0.000 0.501 199 c N 3.649 122.281 118.600 0.054 0.000 2.454 199 c HA 0.384 4.954 4.570 -0.000 0.000 0.336 199 c C 1.818 175.891 174.090 -0.028 0.000 1.189 199 c CA -0.598 55.746 56.329 0.025 0.000 1.877 199 c CB 1.278 43.786 42.510 -0.002 0.000 2.348 199 c HN 1.007 nan 8.230 nan 0.000 0.508 200 G N 0.928 109.711 108.800 -0.028 0.000 2.615 200 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.213 200 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.213 200 G C 0.731 175.547 174.900 -0.141 0.000 1.135 200 G CA 1.169 46.226 45.100 -0.071 0.000 0.772 200 G HN 0.943 nan 8.290 nan 0.000 0.542 201 D N -1.107 119.195 120.400 -0.164 0.000 2.424 201 D HA 0.198 4.838 4.640 -0.000 0.000 0.220 201 D C 1.523 177.616 176.300 -0.346 0.000 1.150 201 D CA 0.105 53.983 54.000 -0.204 0.000 0.831 201 D CB -0.480 40.239 40.800 -0.134 0.000 0.981 201 D HN 0.307 nan 8.370 nan 0.000 0.500 202 G N -0.375 108.093 108.800 -0.554 0.000 2.166 202 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.260 202 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.260 202 G C 0.565 175.121 174.900 -0.572 0.000 0.986 202 G CA 0.238 44.671 45.100 -1.112 0.000 0.683 202 G HN 0.827 nan 8.290 nan 0.000 0.527 203 G N -1.307 107.330 108.800 -0.272 0.000 2.667 203 G HA2 0.743 4.703 3.960 -0.000 0.000 0.310 203 G HA3 0.743 4.703 3.960 -0.000 0.000 0.310 203 G C -0.615 174.252 174.900 -0.055 0.000 1.259 203 G CA -1.192 43.832 45.100 -0.127 0.000 1.019 203 G HN 0.637 nan 8.290 nan 0.000 0.496 204 L N 0.407 121.614 121.223 -0.026 0.000 2.325 204 L HA 0.418 4.758 4.340 -0.000 0.000 0.281 204 L C -0.855 176.012 176.870 -0.005 0.000 1.004 204 L CA -0.853 53.985 54.840 -0.004 0.000 0.823 204 L CB 1.930 43.997 42.059 0.014 0.000 1.236 204 L HN 0.335 nan 8.230 nan 0.000 0.415 205 L N 3.160 124.381 121.223 -0.005 0.000 2.264 205 L HA 0.499 4.839 4.340 -0.000 0.000 0.289 205 L C -0.088 176.743 176.870 -0.065 0.000 1.044 205 L CA 0.487 55.311 54.840 -0.028 0.000 0.807 205 L CB 1.453 43.502 42.059 -0.017 0.000 1.192 205 L HN 0.469 nan 8.230 nan 0.000 0.425 206 T N 6.503 120.995 114.554 -0.104 0.000 2.799 206 T HA 0.566 4.915 4.350 -0.000 0.000 0.286 206 T C -0.204 174.319 174.700 -0.296 0.000 0.973 206 T CA -0.236 61.750 62.100 -0.190 0.000 1.035 206 T CB 0.807 69.593 68.868 -0.137 0.000 0.932 206 T HN 0.341 nan 8.240 nan 0.000 0.469 207 I N 4.075 124.305 120.570 -0.567 0.000 2.406 207 I HA 0.346 4.516 4.170 -0.000 0.000 0.290 207 I C -0.269 175.473 176.117 -0.625 0.000 0.999 207 I CA -0.894 60.006 61.300 -0.667 0.000 1.124 207 I CB 1.589 38.952 38.000 -1.062 0.000 1.289 207 I HN 0.537 nan 8.210 nan 0.000 0.441 208 N N 7.597 126.088 118.700 -0.349 0.000 2.511 208 N HA 0.428 5.168 4.740 -0.000 0.000 0.249 208 N C -0.411 174.987 175.510 -0.185 0.000 0.971 208 N CA -0.459 52.452 53.050 -0.232 0.000 0.938 208 N CB 2.201 40.601 38.487 -0.145 0.000 1.131 208 N HN 0.446 nan 8.380 nan 0.000 0.505 209 L N 0.760 121.882 121.223 -0.168 0.000 2.417 209 L HA 0.403 4.743 4.340 -0.000 0.000 0.268 209 L C 1.479 178.274 176.870 -0.125 0.000 1.158 209 L CA -0.498 54.238 54.840 -0.174 0.000 0.819 209 L CB 0.584 42.496 42.059 -0.246 0.000 1.112 209 L HN 0.405 nan 8.230 nan 0.000 0.458 210 G N 0.504 109.221 108.800 -0.138 0.000 2.477 210 G HA2 0.230 4.190 3.960 -0.000 0.000 0.304 210 G HA3 0.230 4.190 3.960 -0.000 0.000 0.304 210 G C 0.453 175.334 174.900 -0.032 0.000 1.175 210 G CA -0.409 44.650 45.100 -0.068 0.000 0.907 210 G HN 0.818 nan 8.290 nan 0.000 0.509 211 E N -0.014 120.215 120.200 0.048 0.000 2.219 211 E HA -0.204 4.146 4.350 -0.000 0.000 0.198 211 E C 1.443 178.157 176.600 0.191 0.000 0.998 211 E CA 1.434 57.920 56.400 0.144 0.000 0.818 211 E CB 0.141 29.898 29.700 0.095 0.000 0.741 211 E HN 0.665 nan 8.360 nan 0.000 0.477 212 D N -0.791 119.647 120.400 0.064 0.000 2.349 212 D HA 0.008 4.648 4.640 -0.000 0.000 0.224 212 D C 1.294 177.569 176.300 -0.042 0.000 1.029 212 D CA 0.741 54.773 54.000 0.053 0.000 0.879 212 D CB 0.140 40.945 40.800 0.009 0.000 0.906 212 D HN 0.201 nan 8.370 nan 0.000 0.528 213 G N -0.084 108.541 108.800 -0.291 0.000 2.179 213 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.260 213 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.260 213 G C 0.239 174.858 174.900 -0.468 0.000 0.977 213 G CA 0.296 44.896 45.100 -0.832 0.000 0.641 213 G HN 0.479 nan 8.290 nan 0.000 0.533 214 K N 0.062 120.308 120.400 -0.256 0.000 2.087 214 K HA 0.557 4.877 4.320 -0.000 0.000 0.255 214 K C 0.658 177.165 176.600 -0.155 0.000 0.988 214 K CA -0.822 55.362 56.287 -0.172 0.000 0.915 214 K CB 2.028 34.466 32.500 -0.103 0.000 1.043 214 K HN -0.002 nan 8.250 nan 0.000 0.457 215 V N 2.984 122.826 119.914 -0.120 0.000 2.441 215 V HA -0.115 4.005 4.120 -0.000 0.000 0.279 215 V C 1.162 177.197 176.094 -0.097 0.000 0.990 215 V CA 0.646 62.878 62.300 -0.114 0.000 1.116 215 V CB 0.025 31.794 31.823 -0.089 0.000 0.977 215 V HN 0.973 nan 8.190 nan 0.000 0.470 216 A N 4.674 127.431 122.820 -0.105 0.000 1.935 216 A HA 0.300 4.620 4.320 -0.000 0.000 0.214 216 A C 1.011 178.552 177.584 -0.072 0.000 1.178 216 A CA 1.000 52.990 52.037 -0.078 0.000 0.640 216 A CB 0.107 19.064 19.000 -0.071 0.000 0.825 216 A HN 1.081 nan 8.150 nan 0.000 0.447 217 S N -1.548 114.097 115.700 -0.092 0.000 2.578 217 S HA 0.534 5.004 4.470 -0.000 0.000 0.272 217 S C -1.116 173.419 174.600 -0.110 0.000 1.145 217 S CA -0.566 57.584 58.200 -0.083 0.000 0.835 217 S CB 0.818 63.979 63.200 -0.064 0.000 1.104 217 S HN 0.739 nan 8.310 nan 0.000 0.458 218 Q N -0.008 119.737 119.800 -0.091 0.000 2.495 218 Q HA 0.893 5.233 4.340 -0.000 0.000 0.287 218 Q C -1.405 174.551 176.000 -0.073 0.000 1.078 218 Q CA -1.107 54.634 55.803 -0.103 0.000 0.793 218 Q CB 2.152 30.833 28.738 -0.095 0.000 1.459 218 Q HN 1.238 nan 8.270 nan 0.000 0.422 219 S N 0.097 115.754 115.700 -0.072 0.000 2.563 219 S HA 0.525 4.995 4.470 -0.000 0.000 0.279 219 S C -1.177 173.399 174.600 -0.039 0.000 1.155 219 S CA -1.041 57.132 58.200 -0.046 0.000 0.928 219 S CB 1.604 64.783 63.200 -0.035 0.000 1.107 219 S HN 0.661 nan 8.310 nan 0.000 0.462 220 R N 1.543 122.026 120.500 -0.028 0.000 2.407 220 R HA 0.662 5.002 4.340 -0.000 0.000 0.303 220 R C 0.424 176.716 176.300 -0.013 0.000 0.981 220 R CA -0.364 55.722 56.100 -0.024 0.000 0.905 220 R CB 1.770 32.054 30.300 -0.027 0.000 1.099 220 R HN 0.934 nan 8.270 nan 0.000 0.459 221 S N 2.041 117.737 115.700 -0.007 0.000 2.681 221 S HA 0.331 4.801 4.470 -0.000 0.000 0.270 221 S C -0.012 174.584 174.600 -0.006 0.000 1.209 221 S CA -0.830 57.374 58.200 0.006 0.000 0.988 221 S CB 1.325 64.540 63.200 0.025 0.000 1.006 221 S HN 0.405 nan 8.310 nan 0.000 0.558 222 K N 0.472 120.874 120.400 0.004 0.000 2.138 222 K HA 0.157 4.477 4.320 -0.000 0.000 0.251 222 K C 0.306 176.893 176.600 -0.021 0.000 1.015 222 K CA -0.420 55.864 56.287 -0.006 0.000 0.917 222 K CB 0.250 32.757 32.500 0.012 0.000 1.021 222 K HN 0.691 nan 8.250 nan 0.000 0.485 223 Q N 1.784 121.555 119.800 -0.048 0.000 2.283 223 Q HA -0.123 4.217 4.340 -0.000 0.000 0.301 223 Q C 0.473 176.447 176.000 -0.043 0.000 1.063 223 Q CA 0.400 56.144 55.803 -0.098 0.000 0.952 223 Q CB 0.603 29.268 28.738 -0.123 0.000 1.166 223 Q HN 0.630 nan 8.270 nan 0.000 0.381 224 M N 4.724 124.280 119.600 -0.073 0.000 2.556 224 M HA 0.203 4.683 4.480 -0.000 0.000 0.264 224 M C -0.721 175.620 176.300 0.068 0.000 1.163 224 M CA 0.499 55.844 55.300 0.075 0.000 1.186 224 M CB 0.611 33.275 32.600 0.106 0.000 1.321 224 M HN 0.626 nan 8.290 nan 0.000 0.485 225 F N -2.025 117.735 119.950 -0.317 0.000 2.662 225 F HA 0.612 5.139 4.527 -0.000 0.000 0.312 225 F C -0.799 174.863 175.800 -0.230 0.000 1.113 225 F CA -1.334 56.388 58.000 -0.464 0.000 0.951 225 F CB 0.934 39.262 39.000 -1.119 0.000 1.344 225 F HN -0.274 nan 8.300 nan 0.000 0.462 226 S N 1.190 116.844 115.700 -0.077 0.000 2.474 226 S HA 0.319 4.789 4.470 -0.000 0.000 0.276 226 S C 0.664 175.222 174.600 -0.070 0.000 1.227 226 S CA -0.522 57.606 58.200 -0.121 0.000 1.050 226 S CB 0.934 64.143 63.200 0.016 0.000 0.939 226 S HN 0.619 nan 8.310 nan 0.000 0.490 227 V N 6.486 126.247 119.914 -0.255 0.000 2.626 227 V HA -0.069 4.051 4.120 -0.000 0.000 0.252 227 V C 2.482 178.540 176.094 -0.059 0.000 1.067 227 V CA 1.451 63.685 62.300 -0.109 0.000 1.081 227 V CB -0.481 31.226 31.823 -0.195 0.000 0.686 227 V HN 0.780 nan 8.190 nan 0.000 0.468 228 K N 0.028 120.391 120.400 -0.061 0.000 2.017 228 K HA -0.083 4.237 4.320 -0.000 0.000 0.207 228 K C 1.786 178.389 176.600 0.005 0.000 1.035 228 K CA 1.417 57.679 56.287 -0.042 0.000 0.947 228 K CB -0.230 32.246 32.500 -0.040 0.000 0.749 228 K HN 0.406 nan 8.250 nan 0.000 0.443 229 D N 0.340 120.761 120.400 0.035 0.000 2.317 229 D HA -0.087 4.553 4.640 -0.000 0.000 0.211 229 D C -0.002 176.425 176.300 0.211 0.000 0.966 229 D CA 0.961 55.009 54.000 0.079 0.000 0.876 229 D CB 0.191 41.011 40.800 0.033 0.000 0.927 229 D HN 0.170 nan 8.370 nan 0.000 0.519 230 D N -0.129 120.402 120.400 0.219 0.000 3.118 230 D HA 0.099 4.739 4.640 -0.000 0.000 0.259 230 D C -2.742 173.632 176.300 0.122 0.000 1.292 230 D CA -1.405 52.784 54.000 0.315 0.000 0.784 230 D CB 1.094 42.119 40.800 0.374 0.000 1.413 230 D HN -0.129 nan 8.370 nan 0.000 0.583 231 P HA 0.200 nan 4.420 nan 0.000 0.268 231 P C 0.218 177.201 177.300 -0.529 0.000 1.205 231 P CA -0.339 62.541 63.100 -0.365 0.000 0.771 231 P CB 1.065 32.334 31.700 -0.719 0.000 0.858 232 I N -1.126 118.991 120.570 -0.756 0.000 2.822 232 I HA 0.521 4.691 4.170 -0.000 0.000 0.312 232 I C -0.272 175.720 176.117 -0.207 0.000 1.011 232 I CA -1.370 59.655 61.300 -0.458 0.000 1.105 232 I CB 0.829 38.395 38.000 -0.724 0.000 1.291 232 I HN -0.012 nan 8.210 nan 0.000 0.474 233 F N 3.037 123.007 119.950 0.032 0.000 2.429 233 F HA 0.308 4.835 4.527 0.000 0.000 0.348 233 F C 1.550 177.436 175.800 0.143 0.000 1.109 233 F CA -0.563 57.510 58.000 0.122 0.000 1.232 233 F CB 1.033 40.117 39.000 0.139 0.000 1.157 233 F HN 0.487 nan 8.300 nan 0.000 0.564 234 I N 0.236 120.973 120.570 0.279 0.000 3.001 234 I HA 0.130 4.300 4.170 -0.000 0.000 0.268 234 I C 0.904 177.219 176.117 0.329 0.000 1.267 234 I CA 0.157 61.613 61.300 0.260 0.000 1.472 234 I CB -0.697 37.388 38.000 0.142 0.000 1.089 234 I HN 0.424 nan 8.210 nan 0.000 0.468 235 A N 4.335 127.364 122.820 0.349 0.000 2.404 235 A HA 0.512 4.832 4.320 -0.000 0.000 0.273 235 A C -2.299 175.347 177.584 0.103 0.000 1.144 235 A CA -1.109 51.083 52.037 0.257 0.000 0.806 235 A CB -0.437 18.725 19.000 0.271 0.000 1.080 235 A HN 0.251 nan 8.150 nan 0.000 0.509 236 P HA 0.472 nan 4.420 nan 0.000 0.290 236 P C -0.754 176.420 177.300 -0.211 0.000 1.283 236 P CA -0.514 62.367 63.100 -0.366 0.000 0.869 236 P CB 1.888 33.347 31.700 -0.402 0.000 1.100 237 A N 3.312 125.982 122.820 -0.250 0.000 2.774 237 A HA 0.333 4.653 4.320 -0.000 0.000 0.326 237 A C -0.212 177.358 177.584 -0.022 0.000 1.478 237 A CA -0.460 51.550 52.037 -0.045 0.000 1.099 237 A CB -0.934 18.106 19.000 0.067 0.000 1.148 237 A HN 0.481 nan 8.150 nan 0.000 0.519 238 L N 2.104 123.319 121.223 -0.013 0.000 2.313 238 L HA 0.372 4.712 4.340 -0.000 0.000 0.282 238 L C -0.015 176.892 176.870 0.063 0.000 1.092 238 L CA 0.344 55.204 54.840 0.033 0.000 0.831 238 L CB 0.550 42.639 42.059 0.050 0.000 1.159 238 L HN 0.679 nan 8.230 nan 0.000 0.442 239 D N 2.189 122.627 120.400 0.063 0.000 2.588 239 D HA 0.198 4.838 4.640 -0.000 0.000 0.268 239 D C 0.732 177.069 176.300 0.062 0.000 1.176 239 D CA -0.424 53.602 54.000 0.043 0.000 1.080 239 D CB 1.492 42.303 40.800 0.017 0.000 1.186 239 D HN 0.355 nan 8.370 nan 0.000 0.619 240 K N -0.434 119.980 120.400 0.024 0.000 2.057 240 K HA -0.061 4.259 4.320 -0.000 0.000 0.206 240 K C 0.583 177.217 176.600 0.056 0.000 1.050 240 K CA 1.853 58.172 56.287 0.053 0.000 0.935 240 K CB 0.059 32.569 32.500 0.017 0.000 0.715 240 K HN 0.478 nan 8.250 nan 0.000 0.439 241 D N -0.904 119.377 120.400 -0.199 0.000 2.620 241 D HA 0.070 4.710 4.640 -0.000 0.000 0.260 241 D C -0.821 174.624 176.300 -1.425 0.000 1.367 241 D CA -0.357 53.250 54.000 -0.655 0.000 0.805 241 D CB 0.020 40.629 40.800 -0.320 0.000 1.096 241 D HN 0.283 nan 8.370 nan 0.000 0.488 242 K N -1.079 118.725 120.400 -0.993 0.000 2.610 242 K HA 0.721 5.041 4.320 -0.000 0.000 0.278 242 K C -1.945 174.534 176.600 -0.202 0.000 0.964 242 K CA -1.040 54.848 56.287 -0.665 0.000 0.859 242 K CB 1.666 33.912 32.500 -0.423 0.000 1.434 242 K HN -0.041 nan 8.250 nan 0.000 0.410 243 A N 2.185 124.985 122.820 -0.033 0.000 2.371 243 A HA 0.598 4.918 4.320 -0.000 0.000 0.311 243 A C -1.247 176.184 177.584 -0.255 0.000 1.068 243 A CA -0.775 51.193 52.037 -0.115 0.000 0.744 243 A CB 0.821 19.854 19.000 0.056 0.000 1.239 243 A HN 0.712 nan 8.150 nan 0.000 0.435 244 H N 0.675 119.656 119.070 -0.149 0.000 2.502 244 H HA 0.669 5.225 4.556 -0.000 0.000 0.338 244 H C -1.489 173.648 175.328 -0.320 0.000 1.155 244 H CA -0.086 55.966 56.048 0.008 0.000 1.237 244 H CB 1.415 31.225 29.762 0.080 0.000 1.534 244 H HN 0.523 nan 8.280 nan 0.000 0.523 245 F N 0.321 120.406 119.950 0.225 0.000 2.569 245 F HA 0.263 4.790 4.527 0.000 0.000 0.312 245 F C 0.101 175.967 175.800 0.109 0.000 1.109 245 F CA -1.090 56.995 58.000 0.143 0.000 0.919 245 F CB 1.540 40.597 39.000 0.095 0.000 1.211 245 F HN 0.238 nan 8.300 nan 0.000 0.446 246 V N -0.091 119.964 119.914 0.235 0.000 2.716 246 V HA 0.892 5.012 4.120 -0.000 0.000 0.304 246 V C -0.043 176.254 176.094 0.338 0.000 1.053 246 V CA -0.653 61.737 62.300 0.150 0.000 0.984 246 V CB 1.315 33.120 31.823 -0.030 0.000 1.021 246 V HN 0.864 nan 8.190 nan 0.000 0.467 247 S N 2.282 118.154 115.700 0.288 0.000 2.690 247 S HA 0.480 4.950 4.470 -0.000 0.000 0.291 247 S C 0.609 175.436 174.600 0.378 0.000 1.138 247 S CA -0.563 57.817 58.200 0.300 0.000 1.013 247 S CB 0.917 64.281 63.200 0.274 0.000 1.053 247 S HN 0.716 nan 8.310 nan 0.000 0.539 248 Y N -0.328 119.885 120.300 -0.144 0.000 2.193 248 Y HA -0.223 4.327 4.550 -0.000 0.000 0.285 248 Y C 1.385 177.103 175.900 -0.303 0.000 1.166 248 Y CA 1.597 59.494 58.100 -0.339 0.000 1.181 248 Y CB -0.323 37.618 38.460 -0.864 0.000 0.976 248 Y HN 0.736 nan 8.280 nan 0.000 0.520 249 Y N -0.919 119.521 120.300 0.233 0.000 2.471 249 Y HA 0.237 4.787 4.550 -0.000 0.000 0.286 249 Y C 1.588 177.545 175.900 0.094 0.000 1.188 249 Y CA 0.164 58.345 58.100 0.134 0.000 1.286 249 Y CB 0.366 38.892 38.460 0.109 0.000 1.072 249 Y HN 0.168 nan 8.280 nan 0.000 0.517 250 G N 0.161 109.071 108.800 0.182 0.000 2.131 250 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.223 250 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.223 250 G C -0.088 174.826 174.900 0.024 0.000 0.990 250 G CA -0.343 44.806 45.100 0.081 0.000 0.671 250 G HN 0.280 nan 8.290 nan 0.000 0.521 251 N N -0.873 117.858 118.700 0.052 0.000 2.448 251 N HA 0.710 5.450 4.740 -0.000 0.000 0.274 251 N C -0.140 175.221 175.510 -0.247 0.000 1.239 251 N CA -0.028 52.967 53.050 -0.091 0.000 0.982 251 N CB 1.700 40.190 38.487 0.005 0.000 1.199 251 N HN 0.218 nan 8.380 nan 0.000 0.576 252 V N 1.287 120.870 119.914 -0.551 0.000 2.612 252 V HA 0.363 4.483 4.120 -0.000 0.000 0.301 252 V C -1.267 174.588 176.094 -0.398 0.000 1.059 252 V CA -0.687 61.253 62.300 -0.600 0.000 0.886 252 V CB 0.890 31.787 31.823 -1.543 0.000 1.007 252 V HN 0.495 nan 8.190 nan 0.000 0.426 253 Y N 1.260 121.606 120.300 0.077 0.000 2.602 253 Y HA 0.804 5.354 4.550 -0.000 0.000 0.330 253 Y C 0.670 176.810 175.900 0.401 0.000 1.114 253 Y CA -0.669 57.566 58.100 0.224 0.000 1.182 253 Y CB 2.352 40.909 38.460 0.162 0.000 1.305 253 Y HN 0.603 nan 8.280 nan 0.000 0.502 254 S N 0.090 116.106 115.700 0.528 0.000 2.546 254 S HA 0.804 5.274 4.470 -0.000 0.000 0.274 254 S C -1.429 173.378 174.600 0.345 0.000 1.121 254 S CA -0.894 57.568 58.200 0.436 0.000 0.887 254 S CB 1.788 65.203 63.200 0.358 0.000 1.094 254 S HN 0.707 nan 8.310 nan 0.000 0.474 255 A N 1.949 124.972 122.820 0.338 0.000 2.483 255 A HA 0.534 4.854 4.320 -0.000 0.000 0.308 255 A C -0.949 176.758 177.584 0.206 0.000 1.291 255 A CA -0.554 51.672 52.037 0.315 0.000 0.774 255 A CB 0.291 19.566 19.000 0.459 0.000 1.134 255 A HN 0.685 nan 8.150 nan 0.000 0.471 256 D N 2.876 123.327 120.400 0.085 0.000 2.316 256 D HA 0.364 5.004 4.640 -0.000 0.000 0.245 256 D C -0.457 175.835 176.300 -0.013 0.000 1.171 256 D CA -0.099 53.844 54.000 -0.095 0.000 0.856 256 D CB 0.424 41.191 40.800 -0.056 0.000 1.090 256 D HN 0.433 nan 8.370 nan 0.000 0.476 257 F N 1.477 121.451 119.950 0.040 0.000 2.908 257 F HA 0.236 4.763 4.527 -0.000 0.000 0.328 257 F C 1.362 177.176 175.800 0.023 0.000 1.211 257 F CA -0.768 57.252 58.000 0.032 0.000 1.291 257 F CB -0.297 38.725 39.000 0.037 0.000 0.962 257 F HN 0.147 nan 8.300 nan 0.000 0.505 258 S N -1.042 114.607 115.700 -0.084 0.000 2.496 258 S HA 0.356 4.826 4.470 -0.000 0.000 0.224 258 S C 1.145 175.760 174.600 0.024 0.000 0.996 258 S CA 0.278 58.451 58.200 -0.044 0.000 0.927 258 S CB -0.371 62.770 63.200 -0.098 0.000 0.774 258 S HN 0.504 nan 8.310 nan 0.000 0.524 259 G N 0.852 109.676 108.800 0.040 0.000 2.583 259 G HA2 0.398 4.357 3.960 -0.000 0.000 0.280 259 G HA3 0.398 4.357 3.960 -0.000 0.000 0.280 259 G C -0.149 174.787 174.900 0.060 0.000 1.376 259 G CA -0.222 44.903 45.100 0.041 0.000 1.043 259 G HN 0.146 nan 8.290 nan 0.000 0.538 260 D N -0.148 120.277 120.400 0.042 0.000 2.162 260 D HA 0.013 4.653 4.640 -0.000 0.000 0.203 260 D C 0.381 176.706 176.300 0.042 0.000 0.967 260 D CA 0.982 55.004 54.000 0.037 0.000 0.840 260 D CB 0.296 41.109 40.800 0.021 0.000 0.972 260 D HN 0.285 nan 8.370 nan 0.000 0.482 261 E N 0.661 120.888 120.200 0.044 0.000 2.207 261 E HA 0.333 4.683 4.350 -0.000 0.000 0.270 261 E C -0.318 176.326 176.600 0.074 0.000 0.927 261 E CA -0.908 55.520 56.400 0.046 0.000 0.799 261 E CB 2.592 32.310 29.700 0.030 0.000 1.172 261 E HN -0.232 nan 8.360 nan 0.000 0.404 262 V N 2.872 122.838 119.914 0.087 0.000 2.439 262 V HA 0.016 4.136 4.120 -0.000 0.000 0.271 262 V C 0.161 176.312 176.094 0.095 0.000 1.040 262 V CA -0.079 62.296 62.300 0.125 0.000 1.002 262 V CB 0.018 31.926 31.823 0.142 0.000 1.000 262 V HN 0.394 nan 8.190 nan 0.000 0.477 263 K N 4.741 125.196 120.400 0.091 0.000 2.267 263 K HA 0.409 4.729 4.320 -0.000 0.000 0.282 263 K C -0.281 176.381 176.600 0.103 0.000 1.078 263 K CA -0.183 56.151 56.287 0.078 0.000 0.903 263 K CB 1.220 33.755 32.500 0.057 0.000 1.111 263 K HN 0.598 nan 8.250 nan 0.000 0.475 264 V N -0.743 119.239 119.914 0.113 0.000 3.134 264 V HA 0.689 4.809 4.120 -0.000 0.000 0.313 264 V C -0.034 176.161 176.094 0.169 0.000 1.069 264 V CA -0.448 61.944 62.300 0.153 0.000 1.048 264 V CB 1.719 33.628 31.823 0.144 0.000 1.119 264 V HN 0.682 nan 8.190 nan 0.000 0.461 265 D N -1.149 119.391 120.400 0.233 0.000 2.713 265 D HA 0.700 5.340 4.640 -0.000 0.000 0.306 265 D C -0.344 176.119 176.300 0.272 0.000 1.299 265 D CA 0.926 55.058 54.000 0.221 0.000 0.823 265 D CB 1.696 42.607 40.800 0.184 0.000 1.353 265 D HN 1.610 nan 8.370 nan 0.000 0.447 266 G N 0.269 109.165 108.800 0.160 0.000 2.381 266 G HA2 0.286 4.246 3.960 -0.000 0.000 0.672 266 G HA3 0.286 4.246 3.960 -0.000 0.000 0.672 266 G C -2.991 171.834 174.900 -0.125 0.000 1.324 266 G CA -0.498 44.555 45.100 -0.079 0.000 0.975 266 G HN 0.498 nan 8.290 nan 0.000 0.593 267 P HA 0.604 nan 4.420 nan 0.000 0.301 267 P C -0.813 176.421 177.300 -0.110 0.000 1.350 267 P CA -0.716 62.034 63.100 -0.583 0.000 0.941 267 P CB 1.119 32.331 31.700 -0.812 0.000 1.128 268 W N 0.927 122.123 121.300 -0.174 0.000 2.520 268 W HA 0.524 5.184 4.660 -0.000 0.000 0.323 268 W C -0.757 175.743 176.519 -0.031 0.000 1.062 268 W CA -1.164 56.138 57.345 -0.071 0.000 1.215 268 W CB 0.689 30.122 29.460 -0.045 0.000 1.340 268 W HN 0.238 nan 8.180 nan 0.000 0.516 269 S N 2.410 118.224 115.700 0.190 0.000 2.528 269 S HA 0.221 4.691 4.470 -0.000 0.000 0.277 269 S C 1.053 175.749 174.600 0.160 0.000 1.297 269 S CA -0.511 57.750 58.200 0.101 0.000 1.052 269 S CB 0.572 63.843 63.200 0.119 0.000 0.917 269 S HN 0.535 nan 8.310 nan 0.000 0.492 270 L N 4.639 125.889 121.223 0.045 0.000 2.478 270 L HA 0.195 4.535 4.340 -0.000 0.000 0.223 270 L C -0.012 177.017 176.870 0.264 0.000 1.140 270 L CA 0.439 55.363 54.840 0.140 0.000 0.842 270 L CB -0.216 41.886 42.059 0.072 0.000 0.953 270 L HN 0.479 nan 8.230 nan 0.000 0.452 271 L N 0.923 122.274 121.223 0.214 0.000 2.282 271 L HA 0.273 4.613 4.340 -0.000 0.000 0.288 271 L C -0.067 176.880 176.870 0.129 0.000 1.033 271 L CA -0.763 54.207 54.840 0.217 0.000 0.807 271 L CB 0.962 43.153 42.059 0.219 0.000 1.209 271 L HN 0.147 nan 8.230 nan 0.000 0.423 272 N N 0.596 119.338 118.700 0.071 0.000 2.418 272 N HA 0.099 4.839 4.740 -0.000 0.000 0.283 272 N C 0.333 175.877 175.510 0.057 0.000 1.267 272 N CA -0.597 52.475 53.050 0.036 0.000 0.975 272 N CB 0.521 38.993 38.487 -0.025 0.000 1.167 272 N HN 0.409 nan 8.380 nan 0.000 0.581 273 D N -0.815 119.610 120.400 0.042 0.000 2.144 273 D HA -0.180 4.460 4.640 -0.000 0.000 0.199 273 D C 1.154 177.496 176.300 0.071 0.000 0.984 273 D CA 1.106 55.138 54.000 0.055 0.000 0.834 273 D CB -0.014 40.809 40.800 0.038 0.000 0.955 273 D HN 0.754 nan 8.370 nan 0.000 0.465 274 E N 0.655 120.888 120.200 0.055 0.000 2.150 274 E HA -0.162 4.188 4.350 -0.000 0.000 0.193 274 E C 1.185 177.876 176.600 0.152 0.000 0.985 274 E CA 0.827 57.274 56.400 0.078 0.000 0.814 274 E CB 0.256 29.979 29.700 0.038 0.000 0.752 274 E HN 0.156 nan 8.360 nan 0.000 0.466 275 D N 0.528 121.015 120.400 0.145 0.000 2.178 275 D HA -0.117 4.523 4.640 -0.000 0.000 0.202 275 D C 1.691 178.215 176.300 0.373 0.000 0.974 275 D CA 0.878 55.056 54.000 0.296 0.000 0.841 275 D CB -0.037 40.907 40.800 0.240 0.000 0.953 275 D HN 0.193 nan 8.370 nan 0.000 0.478 276 K N 0.700 121.234 120.400 0.225 0.000 2.155 276 K HA 0.046 4.366 4.320 -0.000 0.000 0.203 276 K C 2.116 178.807 176.600 0.153 0.000 1.052 276 K CA 0.797 57.192 56.287 0.179 0.000 0.948 276 K CB 0.069 32.642 32.500 0.122 0.000 0.728 276 K HN -0.003 nan 8.250 nan 0.000 0.448 277 A N 1.720 124.628 122.820 0.146 0.000 1.930 277 A HA -0.125 4.195 4.320 -0.000 0.000 0.217 277 A C 1.811 179.468 177.584 0.122 0.000 1.175 277 A CA 1.336 53.441 52.037 0.114 0.000 0.627 277 A CB -0.068 18.992 19.000 0.100 0.000 0.815 277 A HN 0.028 nan 8.150 nan 0.000 0.443 278 K N -0.310 120.207 120.400 0.195 0.000 2.418 278 K HA 0.017 4.337 4.320 -0.000 0.000 0.195 278 K C -0.174 176.440 176.600 0.025 0.000 1.035 278 K CA 0.222 56.596 56.287 0.145 0.000 1.003 278 K CB -0.179 32.510 32.500 0.315 0.000 0.793 278 K HN 0.543 nan 8.250 nan 0.000 0.494 279 N N 0.275 119.045 118.700 0.116 0.000 2.780 279 N HA -0.163 4.577 4.740 -0.000 0.000 0.247 279 N C -1.117 174.387 175.510 -0.009 0.000 1.076 279 N CA 0.564 53.647 53.050 0.054 0.000 0.688 279 N CB -1.502 36.979 38.487 -0.009 0.000 0.957 279 N HN 0.187 nan 8.380 nan 0.000 0.551 280 W N 0.344 121.634 121.300 -0.016 0.000 2.202 280 W HA 0.476 5.136 4.660 -0.000 0.000 0.332 280 W C 1.142 177.525 176.519 -0.227 0.000 1.263 280 W CA -0.073 57.187 57.345 -0.142 0.000 1.223 280 W CB 0.790 30.235 29.460 -0.024 0.000 1.128 280 W HN 0.076 nan 8.180 nan 0.000 0.573 281 V N -0.144 119.655 119.914 -0.192 0.000 3.264 281 V HA 0.597 4.717 4.120 -0.000 0.000 0.294 281 V C -3.014 172.918 176.094 -0.269 0.000 1.429 281 V CA -3.230 58.957 62.300 -0.189 0.000 1.053 281 V CB 1.604 33.349 31.823 -0.131 0.000 1.128 281 V HN 0.250 nan 8.190 nan 0.000 0.452 282 P HA 0.613 nan 4.420 nan 0.000 0.275 282 P C -0.228 177.103 177.300 0.052 0.000 1.228 282 P CA 0.421 63.433 63.100 -0.147 0.000 0.786 282 P CB 1.133 32.666 31.700 -0.280 0.000 0.927 283 G N 0.407 109.228 108.800 0.035 0.000 2.753 283 G HA2 0.655 4.615 3.960 -0.000 0.000 0.297 283 G HA3 0.655 4.615 3.960 -0.000 0.000 0.297 283 G C -0.856 174.055 174.900 0.019 0.000 1.430 283 G CA -0.267 44.902 45.100 0.115 0.000 1.040 283 G HN 0.778 nan 8.290 nan 0.000 0.530 284 G N 0.047 108.831 108.800 -0.027 0.000 2.357 284 G HA2 0.302 4.262 3.960 -0.000 0.000 0.289 284 G HA3 0.302 4.262 3.960 -0.000 0.000 0.289 284 G C -0.504 174.315 174.900 -0.136 0.000 1.302 284 G CA -0.144 44.939 45.100 -0.029 0.000 0.936 284 G HN 0.594 nan 8.290 nan 0.000 0.513 285 Y N 0.038 120.436 120.300 0.164 0.000 2.610 285 Y HA 0.365 4.915 4.550 -0.000 0.000 0.234 285 Y C 1.841 177.867 175.900 0.209 0.000 1.050 285 Y CA 0.483 58.663 58.100 0.134 0.000 1.381 285 Y CB 0.318 38.640 38.460 -0.230 0.000 1.187 285 Y HN 0.330 nan 8.280 nan 0.000 0.495 286 N N 2.876 121.737 118.700 0.268 0.000 3.298 286 N HA 0.127 4.867 4.740 -0.000 0.000 0.292 286 N C 0.642 176.228 175.510 0.126 0.000 1.271 286 N CA 0.135 53.307 53.050 0.204 0.000 1.184 286 N CB 0.195 38.765 38.487 0.139 0.000 1.452 286 N HN 0.463 nan 8.380 nan 0.000 0.534 287 L N -0.988 120.277 121.223 0.071 0.000 2.627 287 L HA 0.198 4.538 4.340 -0.000 0.000 0.233 287 L C 0.346 176.995 176.870 -0.367 0.000 1.144 287 L CA 0.087 54.866 54.840 -0.102 0.000 0.892 287 L CB -0.109 41.867 42.059 -0.139 0.000 1.039 287 L HN -0.077 nan 8.230 nan 0.000 0.442 288 V N -2.949 116.824 119.914 -0.234 0.000 3.167 288 V HA 1.057 5.177 4.120 -0.000 0.000 0.310 288 V C -0.194 175.823 176.094 -0.129 0.000 1.207 288 V CA 0.042 62.215 62.300 -0.211 0.000 1.059 288 V CB 1.302 33.044 31.823 -0.135 0.000 1.079 288 V HN 0.132 nan 8.190 nan 0.000 0.446 289 G N 0.278 109.044 108.800 -0.057 0.000 2.616 289 G HA2 0.613 4.573 3.960 -0.000 0.000 0.294 289 G HA3 0.613 4.573 3.960 -0.000 0.000 0.294 289 G C -2.447 172.504 174.900 0.085 0.000 1.489 289 G CA -0.509 44.581 45.100 -0.016 0.000 0.836 289 G HN 1.390 nan 8.290 nan 0.000 0.527 290 L N 1.397 122.666 121.223 0.078 0.000 2.356 290 L HA 0.594 4.934 4.340 -0.000 0.000 0.277 290 L C -0.409 176.537 176.870 0.125 0.000 0.996 290 L CA -0.869 54.057 54.840 0.144 0.000 0.822 290 L CB 1.677 43.812 42.059 0.127 0.000 1.256 290 L HN 0.734 nan 8.230 nan 0.000 0.413 291 H N 5.260 124.404 119.070 0.123 0.000 2.821 291 H HA 0.286 4.842 4.556 -0.000 0.000 0.262 291 H C 0.641 176.012 175.328 0.072 0.000 1.402 291 H CA -0.102 55.989 56.048 0.071 0.000 1.293 291 H CB 0.589 30.426 29.762 0.126 0.000 1.533 291 H HN 0.781 nan 8.280 nan 0.000 0.528 292 R N 2.530 122.922 120.500 -0.180 0.000 2.134 292 R HA -0.216 4.124 4.340 -0.000 0.000 0.248 292 R C 2.214 178.439 176.300 -0.125 0.000 1.143 292 R CA 1.865 57.896 56.100 -0.115 0.000 0.957 292 R CB -0.189 30.050 30.300 -0.101 0.000 0.867 292 R HN 0.555 nan 8.270 nan 0.000 0.441 293 A N 0.861 123.515 122.820 -0.275 0.000 1.972 293 A HA -0.176 4.144 4.320 -0.000 0.000 0.219 293 A C 2.183 179.789 177.584 0.037 0.000 1.169 293 A CA 1.965 53.934 52.037 -0.114 0.000 0.635 293 A CB -0.358 18.570 19.000 -0.121 0.000 0.810 293 A HN 0.485 nan 8.150 nan 0.000 0.446 294 S N -2.867 112.940 115.700 0.178 0.000 2.503 294 S HA 0.398 4.868 4.470 -0.000 0.000 0.215 294 S C 1.456 176.134 174.600 0.129 0.000 1.003 294 S CA 1.099 59.425 58.200 0.211 0.000 0.910 294 S CB -0.012 63.377 63.200 0.315 0.000 0.790 294 S HN 1.905 nan 8.310 nan 0.000 0.514 295 G N 1.722 110.596 108.800 0.123 0.000 2.148 295 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.254 295 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.254 295 G C 0.035 174.981 174.900 0.077 0.000 0.981 295 G CA -0.055 45.092 45.100 0.079 0.000 0.670 295 G HN 0.573 nan 8.290 nan 0.000 0.528 296 R N -0.202 120.384 120.500 0.143 0.000 2.340 296 R HA 0.535 4.875 4.340 -0.000 0.000 0.300 296 R C 0.399 176.780 176.300 0.135 0.000 1.069 296 R CA -0.117 56.025 56.100 0.070 0.000 0.984 296 R CB 0.887 31.218 30.300 0.051 0.000 1.003 296 R HN 0.410 nan 8.270 nan 0.000 0.459 297 M N 3.673 123.262 119.600 -0.020 0.000 2.227 297 M HA 0.317 4.797 4.480 -0.000 0.000 0.335 297 M C -1.624 174.632 176.300 -0.073 0.000 1.053 297 M CA -0.724 54.612 55.300 0.061 0.000 0.973 297 M CB 0.991 33.599 32.600 0.014 0.000 1.623 297 M HN 0.422 nan 8.290 nan 0.000 0.434 298 Y N 3.598 123.856 120.300 -0.071 0.000 2.361 298 Y HA 0.694 5.244 4.550 -0.000 0.000 0.332 298 Y C -0.330 175.436 175.900 -0.222 0.000 1.101 298 Y CA -0.821 57.204 58.100 -0.125 0.000 1.137 298 Y CB 1.577 39.937 38.460 -0.167 0.000 1.207 298 Y HN 0.423 nan 8.280 nan 0.000 0.463 299 V N 3.439 123.291 119.914 -0.103 0.000 2.888 299 V HA 0.344 4.464 4.120 -0.000 0.000 0.309 299 V C -0.899 175.098 176.094 -0.163 0.000 1.114 299 V CA -1.536 60.629 62.300 -0.224 0.000 0.940 299 V CB 2.104 33.822 31.823 -0.175 0.000 1.021 299 V HN 0.587 nan 8.190 nan 0.000 0.426 300 F N 4.876 124.753 119.950 -0.121 0.000 2.421 300 F HA 0.541 5.067 4.527 -0.000 0.000 0.358 300 F C 0.406 176.111 175.800 -0.158 0.000 1.115 300 F CA -0.310 57.632 58.000 -0.098 0.000 1.160 300 F CB 0.963 39.928 39.000 -0.059 0.000 1.123 300 F HN 0.209 nan 8.300 nan 0.000 0.508 301 M N 4.855 124.459 119.600 0.007 0.000 2.535 301 M HA 0.363 4.843 4.480 -0.000 0.000 0.314 301 M C -0.540 175.888 176.300 0.213 0.000 1.153 301 M CA -0.593 54.621 55.300 -0.144 0.000 0.924 301 M CB 2.148 34.174 32.600 -0.957 0.000 1.710 301 M HN 0.564 nan 8.290 nan 0.000 0.451 302 H N 0.504 119.617 119.070 0.071 0.000 2.806 302 H HA 0.673 5.229 4.556 -0.000 0.000 0.367 302 H C -3.265 171.801 175.328 -0.437 0.000 1.136 302 H CA -1.869 54.124 56.048 -0.092 0.000 1.178 302 H CB 1.837 31.592 29.762 -0.012 0.000 1.718 302 H HN 0.313 nan 8.280 nan 0.000 0.540 303 P HA 0.066 nan 4.420 nan 0.000 0.279 303 P C -0.470 176.542 177.300 -0.481 0.000 1.276 303 P CA -0.101 62.275 63.100 -1.205 0.000 0.801 303 P CB 0.901 31.749 31.700 -1.421 0.000 1.127 304 D N -2.084 118.099 120.400 -0.361 0.000 2.723 304 D HA -0.122 4.518 4.640 -0.000 0.000 0.236 304 D C 0.766 176.999 176.300 -0.111 0.000 1.138 304 D CA 1.247 55.154 54.000 -0.156 0.000 0.676 304 D CB -1.723 39.028 40.800 -0.081 0.000 1.069 304 D HN 0.633 nan 8.370 nan 0.000 0.430 305 G N 0.109 108.799 108.800 -0.183 0.000 2.572 305 G HA2 0.527 4.487 3.960 -0.000 0.000 0.261 305 G HA3 0.527 4.487 3.960 -0.000 0.000 0.261 305 G C 0.429 175.290 174.900 -0.065 0.000 1.197 305 G CA 0.306 45.317 45.100 -0.149 0.000 0.870 305 G HN 0.410 nan 8.290 nan 0.000 0.548 306 K N -1.144 119.225 120.400 -0.052 0.000 3.328 306 K HA 0.293 4.613 4.320 -0.000 0.000 0.347 306 K C -1.180 175.426 176.600 0.010 0.000 1.043 306 K CA -0.982 55.312 56.287 0.012 0.000 0.775 306 K CB 0.413 32.914 32.500 0.002 0.000 1.452 306 K HN 0.377 nan 8.250 nan 0.000 0.441 307 E N 0.378 120.612 120.200 0.056 0.000 2.480 307 E HA 0.251 4.601 4.350 -0.000 0.000 0.258 307 E C 0.830 177.453 176.600 0.038 0.000 0.984 307 E CA 2.347 58.791 56.400 0.073 0.000 0.930 307 E CB -0.102 29.646 29.700 0.081 0.000 0.936 307 E HN 0.890 nan 8.360 nan 0.000 0.466 308 G N 3.090 111.949 108.800 0.098 0.000 2.141 308 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.242 308 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.242 308 G C 0.675 175.468 174.900 -0.178 0.000 0.982 308 G CA 0.717 45.848 45.100 0.052 0.000 0.662 308 G HN 0.881 nan 8.290 nan 0.000 0.527 309 T N -2.278 112.081 114.554 -0.325 0.000 3.084 309 T HA 0.244 4.594 4.350 -0.000 0.000 0.270 309 T C 1.742 176.140 174.700 -0.503 0.000 1.008 309 T CA 0.844 62.384 62.100 -0.934 0.000 0.900 309 T CB -0.382 67.782 68.868 -1.174 0.000 1.084 309 T HN 0.734 nan 8.240 nan 0.000 0.538 310 H N 1.586 120.437 119.070 -0.364 0.000 2.543 310 H HA 0.181 4.737 4.556 -0.000 0.000 0.286 310 H C 0.993 176.244 175.328 -0.128 0.000 1.037 310 H CA 0.597 56.458 56.048 -0.313 0.000 1.250 310 H CB -0.148 29.015 29.762 -0.999 0.000 1.373 310 H HN 0.414 nan 8.280 nan 0.000 0.580 311 K N -0.052 120.124 120.400 -0.374 0.000 2.387 311 K HA 0.136 4.456 4.320 -0.000 0.000 0.203 311 K C -0.438 176.106 176.600 -0.094 0.000 1.030 311 K CA -0.579 55.516 56.287 -0.321 0.000 1.099 311 K CB 0.534 32.751 32.500 -0.472 0.000 0.863 311 K HN -0.069 nan 8.250 nan 0.000 0.529 312 F N 2.693 122.400 119.950 -0.405 0.000 2.628 312 F HA 0.033 4.560 4.527 -0.000 0.000 0.362 312 F C -1.793 173.798 175.800 -0.349 0.000 1.148 312 F CA -2.209 55.523 58.000 -0.446 0.000 1.352 312 F CB -0.168 38.336 39.000 -0.827 0.000 1.081 312 F HN -0.112 nan 8.300 nan 0.000 0.605 313 P HA 0.115 nan 4.420 nan 0.000 0.268 313 P C -1.086 176.138 177.300 -0.125 0.000 1.205 313 P CA -0.142 62.861 63.100 -0.160 0.000 0.771 313 P CB 0.460 32.052 31.700 -0.180 0.000 0.858 314 A N 3.464 126.169 122.820 -0.192 0.000 2.522 314 A HA 0.305 4.625 4.320 -0.000 0.000 0.256 314 A C 1.481 179.065 177.584 0.000 0.000 1.086 314 A CA 0.553 52.531 52.037 -0.098 0.000 0.763 314 A CB -0.494 18.273 19.000 -0.388 0.000 1.024 314 A HN 0.614 nan 8.150 nan 0.000 0.502 315 A N 2.571 125.476 122.820 0.141 0.000 2.021 315 A HA 0.261 4.581 4.320 -0.000 0.000 0.216 315 A C 0.831 178.571 177.584 0.259 0.000 1.163 315 A CA 1.206 53.346 52.037 0.171 0.000 0.676 315 A CB 0.053 19.157 19.000 0.173 0.000 0.818 315 A HN 0.841 nan 8.150 nan 0.000 0.453 316 E N -1.748 118.646 120.200 0.323 0.000 2.430 316 E HA 0.575 4.925 4.350 -0.000 0.000 0.279 316 E C -1.738 175.052 176.600 0.316 0.000 1.003 316 E CA -0.623 55.989 56.400 0.353 0.000 0.801 316 E CB 1.973 31.991 29.700 0.531 0.000 1.313 316 E HN 0.211 nan 8.360 nan 0.000 0.459 317 I N 2.240 123.013 120.570 0.339 0.000 2.390 317 I HA 0.310 4.480 4.170 -0.000 0.000 0.283 317 I C -0.923 175.403 176.117 0.349 0.000 1.016 317 I CA -0.667 60.831 61.300 0.331 0.000 1.151 317 I CB 0.521 38.676 38.000 0.258 0.000 1.293 317 I HN 0.268 nan 8.210 nan 0.000 0.458 318 W N 5.729 127.016 121.300 -0.022 0.000 2.313 318 W HA 0.460 5.120 4.660 -0.000 0.000 0.328 318 W C -0.262 176.128 176.519 -0.215 0.000 1.197 318 W CA -0.860 56.411 57.345 -0.124 0.000 1.235 318 W CB 0.924 30.298 29.460 -0.143 0.000 1.158 318 W HN 0.011 nan 8.180 nan 0.000 0.578 319 V N 5.778 125.638 119.914 -0.090 0.000 2.409 319 V HA 0.383 4.503 4.120 -0.000 0.000 0.291 319 V C 0.049 176.003 176.094 -0.234 0.000 1.020 319 V CA -0.950 61.127 62.300 -0.372 0.000 0.848 319 V CB 0.947 32.496 31.823 -0.457 0.000 0.990 319 V HN 0.321 nan 8.190 nan 0.000 0.430 320 M N 3.508 122.985 119.600 -0.203 0.000 2.436 320 M HA 0.462 4.942 4.480 -0.000 0.000 0.331 320 M C -0.453 175.804 176.300 -0.072 0.000 1.135 320 M CA -0.631 54.635 55.300 -0.056 0.000 0.987 320 M CB 1.618 34.276 32.600 0.097 0.000 1.687 320 M HN 0.591 nan 8.290 nan 0.000 0.445 321 D N 2.308 122.673 120.400 -0.058 0.000 2.428 321 D HA 0.140 4.780 4.640 -0.000 0.000 0.221 321 D C 0.984 177.220 176.300 -0.105 0.000 1.123 321 D CA 0.015 53.969 54.000 -0.077 0.000 0.869 321 D CB 1.163 41.909 40.800 -0.090 0.000 1.032 321 D HN 0.778 nan 8.370 nan 0.000 0.506 322 T N 1.437 115.934 114.554 -0.096 0.000 2.977 322 T HA -0.140 4.210 4.350 -0.000 0.000 0.271 322 T C 1.466 176.022 174.700 -0.241 0.000 1.105 322 T CA 0.938 62.933 62.100 -0.176 0.000 1.116 322 T CB 0.114 68.864 68.868 -0.196 0.000 0.878 322 T HN 0.325 nan 8.240 nan 0.000 0.509 323 K N 1.199 121.500 120.400 -0.166 0.000 2.044 323 K HA 0.004 4.324 4.320 -0.000 0.000 0.204 323 K C 2.602 179.076 176.600 -0.210 0.000 1.049 323 K CA 1.653 57.848 56.287 -0.153 0.000 0.945 323 K CB -0.268 32.177 32.500 -0.091 0.000 0.724 323 K HN 0.577 nan 8.250 nan 0.000 0.440 324 T N -1.323 113.109 114.554 -0.204 0.000 3.086 324 T HA 0.165 4.515 4.350 -0.000 0.000 0.250 324 T C 0.172 174.700 174.700 -0.287 0.000 1.074 324 T CA -0.312 61.665 62.100 -0.205 0.000 0.988 324 T CB -0.168 68.617 68.868 -0.139 0.000 0.988 324 T HN 0.096 nan 8.240 nan 0.000 0.530 325 K N 1.232 121.365 120.400 -0.446 0.000 3.071 325 K HA -0.198 4.122 4.320 -0.000 0.000 0.262 325 K C -0.333 176.140 176.600 -0.212 0.000 0.977 325 K CA 0.557 56.433 56.287 -0.686 0.000 0.721 325 K CB -1.509 30.351 32.500 -1.067 0.000 1.293 325 K HN 0.666 nan 8.250 nan 0.000 0.475 326 Q N -0.084 119.650 119.800 -0.110 0.000 2.433 326 Q HA 0.386 4.726 4.340 -0.000 0.000 0.279 326 Q C -0.564 175.407 176.000 -0.049 0.000 1.105 326 Q CA -1.142 54.630 55.803 -0.051 0.000 0.815 326 Q CB 2.307 30.992 28.738 -0.088 0.000 1.403 326 Q HN 0.190 nan 8.270 nan 0.000 0.435 327 R N 0.941 121.384 120.500 -0.094 0.000 2.298 327 R HA 0.162 4.502 4.340 -0.000 0.000 0.310 327 R C 0.479 176.671 176.300 -0.179 0.000 1.068 327 R CA 0.069 56.069 56.100 -0.167 0.000 0.957 327 R CB 0.532 30.631 30.300 -0.335 0.000 1.003 327 R HN 0.583 nan 8.270 nan 0.000 0.454 328 V N 1.014 120.827 119.914 -0.169 0.000 3.528 328 V HA 0.584 4.704 4.120 -0.000 0.000 0.294 328 V C 0.001 176.002 176.094 -0.154 0.000 1.404 328 V CA 0.547 62.758 62.300 -0.148 0.000 1.065 328 V CB 0.048 31.797 31.823 -0.124 0.000 0.904 328 V HN 0.742 nan 8.190 nan 0.000 0.435 329 A N 1.172 123.878 122.820 -0.190 0.000 2.571 329 A HA 0.782 5.102 4.320 -0.000 0.000 0.296 329 A C -0.767 176.707 177.584 -0.183 0.000 1.005 329 A CA -0.567 51.373 52.037 -0.162 0.000 0.682 329 A CB 1.110 20.044 19.000 -0.111 0.000 1.292 329 A HN 0.830 nan 8.150 nan 0.000 0.420 330 R N 1.062 121.475 120.500 -0.145 0.000 2.548 330 R HA 0.820 5.160 4.340 -0.000 0.000 0.280 330 R C -1.143 175.171 176.300 0.023 0.000 1.061 330 R CA -0.491 55.556 56.100 -0.089 0.000 0.915 330 R CB 1.236 31.329 30.300 -0.345 0.000 1.210 330 R HN 1.503 nan 8.270 nan 0.000 0.442 331 I N -1.837 118.804 120.570 0.120 0.000 3.095 331 I HA 0.627 4.797 4.170 -0.000 0.000 0.310 331 I C -2.848 173.383 176.117 0.190 0.000 1.196 331 I CA -3.352 58.030 61.300 0.137 0.000 0.985 331 I CB 2.696 40.776 38.000 0.132 0.000 1.250 331 I HN 0.344 nan 8.210 nan 0.000 0.446 332 P HA 0.074 nan 4.420 nan 0.000 0.264 332 P C 0.611 178.020 177.300 0.182 0.000 1.183 332 P CA 0.360 63.572 63.100 0.186 0.000 0.763 332 P CB 0.704 32.498 31.700 0.158 0.000 0.807 333 G N 3.120 112.009 108.800 0.148 0.000 2.551 333 G HA2 -0.125 3.835 3.960 -0.000 0.000 0.216 333 G HA3 -0.125 3.835 3.960 -0.000 0.000 0.216 333 G C 0.411 175.308 174.900 -0.005 0.000 1.137 333 G CA -0.189 44.948 45.100 0.061 0.000 0.798 333 G HN 0.539 nan 8.290 nan 0.000 0.536 334 R N 0.055 120.576 120.500 0.035 0.000 3.641 334 R HA -0.160 4.180 4.340 -0.000 0.000 0.286 334 R C -0.153 176.113 176.300 -0.056 0.000 1.153 334 R CA 0.590 56.699 56.100 0.014 0.000 0.775 334 R CB -2.010 28.327 30.300 0.061 0.000 1.215 334 R HN 0.396 nan 8.270 nan 0.000 0.474 335 D N -3.100 117.244 120.400 -0.093 0.000 2.945 335 D HA -0.197 4.443 4.640 -0.000 0.000 0.225 335 D C 0.322 176.496 176.300 -0.211 0.000 1.158 335 D CA 1.648 55.565 54.000 -0.137 0.000 0.805 335 D CB -1.216 39.522 40.800 -0.103 0.000 1.098 335 D HN 0.683 nan 8.370 nan 0.000 0.426 336 A N -0.291 122.322 122.820 -0.346 0.000 2.386 336 A HA 0.523 4.843 4.320 -0.000 0.000 0.248 336 A C 1.388 178.594 177.584 -0.631 0.000 1.082 336 A CA -0.023 51.711 52.037 -0.506 0.000 0.789 336 A CB 0.489 19.055 19.000 -0.723 0.000 1.025 336 A HN 0.256 nan 8.150 nan 0.000 0.490 337 L N 0.331 121.373 121.223 -0.301 0.000 2.766 337 L HA 0.210 4.550 4.340 -0.000 0.000 0.241 337 L C 0.385 177.438 176.870 0.305 0.000 1.080 337 L CA 0.353 55.191 54.840 -0.003 0.000 0.909 337 L CB 0.462 42.602 42.059 0.136 0.000 1.277 337 L HN 0.592 nan 8.230 nan 0.000 0.510 338 S N 0.559 116.457 115.700 0.330 0.000 2.564 338 S HA 0.784 5.254 4.470 -0.000 0.000 0.274 338 S C -0.664 174.187 174.600 0.419 0.000 1.124 338 S CA -0.637 57.795 58.200 0.387 0.000 0.869 338 S CB 2.621 65.914 63.200 0.155 0.000 1.105 338 S HN 0.189 nan 8.310 nan 0.000 0.472 339 M N 0.220 119.964 119.600 0.240 0.000 2.716 339 M HA 0.877 5.357 4.480 -0.000 0.000 0.278 339 M C -1.012 175.324 176.300 0.060 0.000 1.281 339 M CA -0.488 54.890 55.300 0.129 0.000 0.814 339 M CB 2.089 34.649 32.600 -0.066 0.000 1.719 339 M HN 0.524 nan 8.290 nan 0.000 0.457 340 T N 0.516 115.108 114.554 0.064 0.000 2.830 340 T HA 0.670 5.020 4.350 -0.000 0.000 0.322 340 T C -2.052 172.713 174.700 0.109 0.000 1.501 340 T CA -0.627 61.529 62.100 0.095 0.000 1.036 340 T CB 1.706 70.666 68.868 0.152 0.000 1.379 340 T HN 0.614 nan 8.240 nan 0.000 0.493 341 I N 3.036 123.645 120.570 0.064 0.000 2.545 341 I HA 0.424 4.594 4.170 -0.000 0.000 0.292 341 I C -0.493 175.537 176.117 -0.145 0.000 1.040 341 I CA -0.732 60.544 61.300 -0.040 0.000 1.068 341 I CB 1.928 39.873 38.000 -0.091 0.000 1.251 341 I HN 0.695 nan 8.210 nan 0.000 0.424 342 D N 5.792 125.930 120.400 -0.436 0.000 2.329 342 D HA 0.179 4.819 4.640 -0.000 0.000 0.232 342 D C 0.686 176.791 176.300 -0.324 0.000 1.088 342 D CA -0.298 53.307 54.000 -0.658 0.000 0.835 342 D CB 1.724 41.608 40.800 -1.527 0.000 1.078 342 D HN 0.351 nan 8.370 nan 0.000 0.495 343 Q N 2.541 122.220 119.800 -0.202 0.000 2.020 343 Q HA -0.167 4.173 4.340 -0.000 0.000 0.202 343 Q C 1.655 177.594 176.000 -0.101 0.000 0.982 343 Q CA 1.253 56.971 55.803 -0.143 0.000 0.838 343 Q CB -0.092 28.564 28.738 -0.137 0.000 0.899 343 Q HN 0.677 nan 8.270 nan 0.000 0.423 344 Q N 0.285 120.026 119.800 -0.097 0.000 2.124 344 Q HA -0.134 4.206 4.340 -0.000 0.000 0.202 344 Q C 1.564 177.544 176.000 -0.033 0.000 0.977 344 Q CA 1.133 56.905 55.803 -0.051 0.000 0.850 344 Q CB 0.155 28.872 28.738 -0.034 0.000 0.901 344 Q HN 0.103 nan 8.270 nan 0.000 0.429 345 R N 0.564 121.015 120.500 -0.081 0.000 2.317 345 R HA 0.093 4.433 4.340 -0.000 0.000 0.208 345 R C -0.272 176.005 176.300 -0.039 0.000 0.914 345 R CA 0.018 56.090 56.100 -0.047 0.000 1.060 345 R CB 0.088 30.355 30.300 -0.054 0.000 1.015 345 R HN 0.228 nan 8.270 nan 0.000 0.498 346 N N 0.779 119.467 118.700 -0.020 0.000 2.714 346 N HA -0.212 4.528 4.740 -0.000 0.000 0.253 346 N C -0.968 174.507 175.510 -0.058 0.000 1.024 346 N CA 0.894 53.965 53.050 0.035 0.000 0.726 346 N CB -1.247 37.272 38.487 0.053 0.000 0.908 346 N HN 0.260 nan 8.380 nan 0.000 0.542 347 L N -0.274 120.865 121.223 -0.141 0.000 2.303 347 L HA 0.706 5.046 4.340 -0.000 0.000 0.266 347 L C 0.325 177.130 176.870 -0.108 0.000 1.011 347 L CA -0.720 54.045 54.840 -0.125 0.000 0.818 347 L CB 2.083 44.015 42.059 -0.211 0.000 1.326 347 L HN 0.166 nan 8.230 nan 0.000 0.435 348 M N 2.292 121.903 119.600 0.020 0.000 2.433 348 M HA 0.570 5.050 4.480 -0.000 0.000 0.290 348 M C -2.228 174.190 176.300 0.197 0.000 1.173 348 M CA -0.469 54.844 55.300 0.022 0.000 0.905 348 M CB 2.394 34.876 32.600 -0.197 0.000 1.692 348 M HN 0.444 nan 8.290 nan 0.000 0.462 349 L N 3.474 124.814 121.223 0.195 0.000 2.385 349 L HA 0.650 4.990 4.340 -0.000 0.000 0.273 349 L C -0.357 176.625 176.870 0.186 0.000 0.990 349 L CA -0.747 54.194 54.840 0.167 0.000 0.821 349 L CB 2.333 44.392 42.059 0.000 0.000 1.279 349 L HN 0.828 nan 8.230 nan 0.000 0.412 350 T N 0.767 115.476 114.554 0.257 0.000 2.888 350 T HA 0.745 5.095 4.350 -0.000 0.000 0.284 350 T C -0.898 173.888 174.700 0.143 0.000 1.017 350 T CA -0.725 61.551 62.100 0.293 0.000 1.022 350 T CB 2.246 71.348 68.868 0.390 0.000 1.013 350 T HN 0.317 nan 8.240 nan 0.000 0.465 351 L N 2.433 123.715 121.223 0.098 0.000 2.410 351 L HA 0.624 4.964 4.340 -0.000 0.000 0.270 351 L C -0.364 176.485 176.870 -0.035 0.000 0.983 351 L CA -0.411 54.435 54.840 0.010 0.000 0.822 351 L CB 2.026 44.083 42.059 -0.004 0.000 1.285 351 L HN 0.877 nan 8.230 nan 0.000 0.409 352 D N 1.742 122.106 120.400 -0.060 0.000 2.363 352 D HA 0.409 5.049 4.640 -0.000 0.000 0.214 352 D C 1.085 177.341 176.300 -0.074 0.000 1.093 352 D CA 0.500 54.449 54.000 -0.085 0.000 0.837 352 D CB 0.756 41.505 40.800 -0.085 0.000 0.948 352 D HN 0.885 nan 8.370 nan 0.000 0.507 353 G N -0.756 108.000 108.800 -0.073 0.000 2.391 353 G HA2 -0.148 3.812 3.960 -0.000 0.000 0.204 353 G HA3 -0.148 3.812 3.960 -0.000 0.000 0.204 353 G C 1.068 175.931 174.900 -0.062 0.000 1.012 353 G CA -0.051 44.999 45.100 -0.083 0.000 0.651 353 G HN 0.795 nan 8.290 nan 0.000 0.494 354 G N -0.362 108.408 108.800 -0.051 0.000 3.102 354 G HA2 0.347 4.307 3.960 -0.000 0.000 0.204 354 G HA3 0.347 4.307 3.960 -0.000 0.000 0.204 354 G C -0.068 174.802 174.900 -0.050 0.000 1.155 354 G CA 0.424 45.503 45.100 -0.035 0.000 0.931 354 G HN 0.404 nan 8.290 nan 0.000 0.691 355 N N 0.691 119.355 118.700 -0.061 0.000 2.314 355 N HA 0.510 5.250 4.740 -0.000 0.000 0.294 355 N C -1.247 174.216 175.510 -0.078 0.000 1.029 355 N CA -0.224 52.782 53.050 -0.073 0.000 0.845 355 N CB 2.996 41.450 38.487 -0.055 0.000 1.321 355 N HN -0.157 nan 8.380 nan 0.000 0.481 356 V N 2.751 122.596 119.914 -0.115 0.000 2.398 356 V HA 0.331 4.451 4.120 -0.000 0.000 0.286 356 V C -0.193 175.859 176.094 -0.071 0.000 1.026 356 V CA -0.778 61.462 62.300 -0.101 0.000 0.868 356 V CB 1.089 32.804 31.823 -0.180 0.000 0.982 356 V HN 0.530 nan 8.190 nan 0.000 0.443 357 N N 3.618 122.314 118.700 -0.007 0.000 2.400 357 N HA 0.490 5.230 4.740 -0.000 0.000 0.288 357 N C -0.811 174.697 175.510 -0.004 0.000 1.024 357 N CA -0.365 52.664 53.050 -0.035 0.000 0.894 357 N CB 2.439 40.953 38.487 0.045 0.000 1.173 357 N HN 0.360 nan 8.380 nan 0.000 0.487 358 V N 2.968 122.816 119.914 -0.110 0.000 2.370 358 V HA 0.382 4.502 4.120 -0.000 0.000 0.279 358 V C -0.808 175.227 176.094 -0.099 0.000 1.029 358 V CA -0.553 61.737 62.300 -0.017 0.000 0.870 358 V CB -0.186 31.659 31.823 0.037 0.000 0.984 358 V HN 0.496 nan 8.190 nan 0.000 0.451 359 Y N 1.646 121.969 120.300 0.039 0.000 2.485 359 Y HA 0.516 5.066 4.550 -0.000 0.000 0.345 359 Y C -0.042 175.864 175.900 0.009 0.000 0.998 359 Y CA -1.055 57.065 58.100 0.033 0.000 1.059 359 Y CB 1.838 40.321 38.460 0.038 0.000 1.234 359 Y HN 0.648 nan 8.280 nan 0.000 0.461 360 D N 3.224 123.736 120.400 0.186 0.000 2.359 360 D HA 0.261 4.901 4.640 -0.000 0.000 0.230 360 D C 0.104 176.448 176.300 0.073 0.000 1.118 360 D CA -0.339 53.718 54.000 0.093 0.000 0.844 360 D CB 0.532 41.376 40.800 0.073 0.000 1.059 360 D HN 0.549 nan 8.370 nan 0.000 0.493 361 I N 1.259 121.825 120.570 -0.006 0.000 3.856 361 I HA 0.192 4.362 4.170 -0.000 0.000 0.333 361 I C 0.916 176.946 176.117 -0.145 0.000 1.525 361 I CA -0.388 60.884 61.300 -0.046 0.000 1.173 361 I CB 0.151 38.073 38.000 -0.130 0.000 1.175 361 I HN 0.196 nan 8.210 nan 0.000 0.424 362 S N -0.528 115.122 115.700 -0.084 0.000 2.555 362 S HA 0.107 4.577 4.470 -0.000 0.000 0.230 362 S C 0.758 175.325 174.600 -0.055 0.000 0.978 362 S CA 0.219 58.371 58.200 -0.080 0.000 0.934 362 S CB -0.220 62.971 63.200 -0.014 0.000 0.766 362 S HN 0.572 nan 8.310 nan 0.000 0.533 363 Q N 0.244 120.024 119.800 -0.035 0.000 2.394 363 Q HA 0.425 4.765 4.340 -0.000 0.000 0.273 363 Q C -2.317 173.677 176.000 -0.010 0.000 1.089 363 Q CA -2.252 53.542 55.803 -0.014 0.000 0.812 363 Q CB 1.742 30.484 28.738 0.006 0.000 1.353 363 Q HN -0.051 nan 8.270 nan 0.000 0.438 364 P HA -0.232 nan 4.420 nan 0.000 0.219 364 P C -0.133 177.155 177.300 -0.021 0.000 1.158 364 P CA 1.522 64.600 63.100 -0.036 0.000 0.895 364 P CB 0.361 32.033 31.700 -0.047 0.000 0.792 365 E N -0.096 120.104 120.200 -0.000 0.000 2.152 365 E HA 0.191 4.541 4.350 -0.000 0.000 0.285 365 E C -2.277 174.368 176.600 0.075 0.000 1.043 365 E CA -2.672 53.743 56.400 0.024 0.000 0.839 365 E CB 0.403 30.114 29.700 0.018 0.000 1.069 365 E HN 0.027 nan 8.360 nan 0.000 0.399 366 P HA -0.016 nan 4.420 nan 0.000 0.267 366 P C -1.295 176.148 177.300 0.240 0.000 1.200 366 P CA 0.223 63.429 63.100 0.177 0.000 0.772 366 P CB 0.432 32.199 31.700 0.112 0.000 0.855 367 K N 3.098 123.663 120.400 0.274 0.000 2.535 367 K HA 0.300 4.620 4.320 -0.000 0.000 0.253 367 K C -1.022 175.671 176.600 0.155 0.000 0.953 367 K CA -0.916 55.491 56.287 0.200 0.000 0.863 367 K CB 0.515 33.079 32.500 0.107 0.000 1.111 367 K HN 0.234 nan 8.250 nan 0.000 0.431 368 L N 6.598 127.842 121.223 0.034 0.000 2.597 368 L HA 0.066 4.406 4.340 -0.000 0.000 0.271 368 L C 0.311 177.073 176.870 -0.180 0.000 1.157 368 L CA 0.545 55.173 54.840 -0.352 0.000 0.928 368 L CB 0.091 41.924 42.059 -0.375 0.000 1.216 368 L HN 0.856 nan 8.230 nan 0.000 0.481 369 L N 5.139 126.263 121.223 -0.165 0.000 2.168 369 L HA 0.191 4.531 4.340 -0.000 0.000 0.203 369 L C 0.943 177.775 176.870 -0.063 0.000 1.078 369 L CA 0.444 55.248 54.840 -0.060 0.000 0.780 369 L CB -0.315 41.748 42.059 0.008 0.000 0.939 369 L HN 0.789 nan 8.230 nan 0.000 0.451 370 R N -1.705 118.736 120.500 -0.099 0.000 2.728 370 R HA 0.414 4.754 4.340 -0.000 0.000 0.274 370 R C -1.536 174.706 176.300 -0.097 0.000 1.032 370 R CA -0.727 55.330 56.100 -0.071 0.000 0.866 370 R CB 1.147 31.436 30.300 -0.018 0.000 1.263 370 R HN -0.321 nan 8.270 nan 0.000 0.475 371 T N 2.028 116.538 114.554 -0.073 0.000 2.840 371 T HA 0.446 4.796 4.350 -0.000 0.000 0.287 371 T C -0.190 174.474 174.700 -0.061 0.000 0.991 371 T CA -0.594 61.461 62.100 -0.075 0.000 0.964 371 T CB 0.809 69.636 68.868 -0.068 0.000 0.954 371 T HN 0.386 nan 8.240 nan 0.000 0.438 372 I N 3.684 124.203 120.570 -0.086 0.000 2.281 372 I HA 0.197 4.367 4.170 -0.000 0.000 0.293 372 I C 0.767 176.814 176.117 -0.116 0.000 1.085 372 I CA -0.468 60.768 61.300 -0.107 0.000 1.257 372 I CB 0.405 38.277 38.000 -0.214 0.000 1.430 372 I HN 0.538 nan 8.210 nan 0.000 0.489 373 E N 4.420 124.584 120.200 -0.060 0.000 2.390 373 E HA 0.275 4.625 4.350 -0.000 0.000 0.261 373 E C 0.967 177.547 176.600 -0.034 0.000 1.076 373 E CA -0.012 56.360 56.400 -0.046 0.000 0.905 373 E CB 0.683 30.367 29.700 -0.026 0.000 0.984 373 E HN 0.827 nan 8.360 nan 0.000 0.427 374 G N 1.773 110.556 108.800 -0.027 0.000 2.323 374 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.292 374 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.292 374 G C 0.785 175.702 174.900 0.029 0.000 1.040 374 G CA 0.373 45.474 45.100 0.002 0.000 0.942 374 G HN 0.626 nan 8.290 nan 0.000 0.506 375 A N -1.350 121.438 122.820 -0.053 0.000 1.969 375 A HA 0.650 4.970 4.320 -0.000 0.000 0.218 375 A C 1.646 179.349 177.584 0.198 0.000 1.169 375 A CA 2.340 54.299 52.037 -0.131 0.000 0.635 375 A CB 0.024 18.817 19.000 -0.345 0.000 0.810 375 A HN 2.383 nan 8.150 nan 0.000 0.445 376 A N -2.083 120.823 122.820 0.143 0.000 2.524 376 A HA 0.637 4.957 4.320 -0.000 0.000 0.303 376 A C 0.091 177.733 177.584 0.098 0.000 1.195 376 A CA 0.117 52.276 52.037 0.205 0.000 0.651 376 A CB -0.029 19.029 19.000 0.097 0.000 1.323 376 A HN 0.046 nan 8.150 nan 0.000 0.479 377 E N -1.106 119.141 120.200 0.077 0.000 2.290 377 E HA 0.412 4.762 4.350 -0.000 0.000 0.199 377 E C 0.256 176.862 176.600 0.009 0.000 0.912 377 E CA 0.810 57.236 56.400 0.044 0.000 0.924 377 E CB 0.865 30.602 29.700 0.063 0.000 0.901 377 E HN 0.855 nan 8.360 nan 0.000 0.487 378 A N 1.530 124.342 122.820 -0.015 0.000 3.307 378 A HA 0.304 4.624 4.320 -0.000 0.000 0.289 378 A C -0.774 176.735 177.584 -0.126 0.000 1.138 378 A CA -0.384 51.619 52.037 -0.057 0.000 0.860 378 A CB 0.944 19.937 19.000 -0.011 0.000 1.318 378 A HN -0.000 nan 8.150 nan 0.000 0.551 379 S N 0.936 116.562 115.700 -0.124 0.000 2.454 379 S HA 0.709 5.179 4.470 -0.000 0.000 0.306 379 S C 0.211 174.703 174.600 -0.181 0.000 1.100 379 S CA -0.464 57.644 58.200 -0.153 0.000 1.087 379 S CB 0.742 63.881 63.200 -0.102 0.000 1.019 379 S HN 0.571 nan 8.310 nan 0.000 0.480 380 L N 3.683 124.763 121.223 -0.237 0.000 3.069 380 L HA 0.447 4.787 4.340 -0.000 0.000 0.271 380 L C 0.332 177.103 176.870 -0.165 0.000 1.201 380 L CA 0.050 54.735 54.840 -0.257 0.000 1.015 380 L CB 0.426 42.184 42.059 -0.502 0.000 1.371 380 L HN 0.626 nan 8.230 nan 0.000 0.574 381 Q N 0.848 120.573 119.800 -0.126 0.000 2.284 381 Q HA 0.525 4.865 4.340 -0.000 0.000 0.269 381 Q C -1.958 174.021 176.000 -0.035 0.000 1.026 381 Q CA -0.190 55.575 55.803 -0.063 0.000 0.831 381 Q CB 3.692 32.389 28.738 -0.068 0.000 1.322 381 Q HN -0.091 nan 8.270 nan 0.000 0.419 382 V N 3.558 123.469 119.914 -0.005 0.000 2.808 382 V HA 0.600 4.720 4.120 -0.000 0.000 0.308 382 V C -1.937 174.165 176.094 0.014 0.000 1.099 382 V CA -0.116 62.177 62.300 -0.012 0.000 0.920 382 V CB 2.465 34.251 31.823 -0.062 0.000 1.014 382 V HN 0.927 nan 8.190 nan 0.000 0.425 383 Q N 4.406 124.233 119.800 0.045 0.000 2.379 383 Q HA 0.548 4.888 4.340 -0.000 0.000 0.278 383 Q C -1.649 174.436 176.000 0.142 0.000 1.068 383 Q CA -0.533 55.338 55.803 0.114 0.000 0.816 383 Q CB 3.031 31.854 28.738 0.142 0.000 1.387 383 Q HN 0.688 nan 8.270 nan 0.000 0.413 384 F N 0.524 120.562 119.950 0.147 0.000 2.378 384 F HA 0.162 4.689 4.527 -0.000 0.000 0.319 384 F C 0.808 176.773 175.800 0.275 0.000 1.155 384 F CA -0.201 57.912 58.000 0.188 0.000 1.157 384 F CB 0.636 39.692 39.000 0.094 0.000 1.252 384 F HN 0.460 nan 8.300 nan 0.000 0.550 385 H N 2.853 122.212 119.070 0.482 0.000 2.620 385 H HA 0.261 4.817 4.556 -0.000 0.000 0.313 385 H C -2.374 173.096 175.328 0.237 0.000 1.075 385 H CA -2.244 54.033 56.048 0.382 0.000 1.397 385 H CB 1.063 31.054 29.762 0.381 0.000 1.446 385 H HN 0.229 nan 8.280 nan 0.000 0.493 386 P HA -0.056 nan 4.420 nan 0.000 0.266 386 P C -0.518 176.937 177.300 0.258 0.000 1.193 386 P CA 0.177 63.370 63.100 0.155 0.000 0.770 386 P CB 0.888 32.598 31.700 0.016 0.000 0.836 387 V N 1.430 121.430 119.914 0.143 0.000 3.103 387 V HA 0.700 4.820 4.120 -0.000 0.000 0.311 387 V C 0.045 176.177 176.094 0.063 0.000 1.322 387 V CA -0.672 61.696 62.300 0.115 0.000 1.063 387 V CB 2.121 34.006 31.823 0.103 0.000 1.090 387 V HN 0.609 nan 8.190 nan 0.000 0.462 388 G N 0.610 109.439 108.800 0.048 0.000 2.821 388 G HA2 0.569 4.529 3.960 -0.000 0.000 0.289 388 G HA3 0.569 4.529 3.960 -0.000 0.000 0.289 388 G C 0.092 175.004 174.900 0.020 0.000 0.771 388 G CA 0.718 45.837 45.100 0.031 0.000 1.908 388 G HN 1.506 nan 8.290 nan 0.000 0.539 389 G N 0.000 108.809 108.800 0.015 0.000 5.446 389 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 389 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 389 G CA 0.000 45.103 45.100 0.005 0.000 0.502 389 G HN 0.000 nan 8.290 nan 0.000 0.925