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 2zu7_1_B DATA FIRST_RESID 2 DATA SEQUENCE LLEAPVYKEI FGAVTIHEVQ KVIKXDTEXX XXXXXTISNI PREKIYDLLG DATA SEQUENCE KXAVIVPXKN EKLHLVDGVL KAIPHKCPII IVSNSKREGP NRYKLEVDLI DATA SEQUENCE RHFYNLTHSK IIXIHQKDPG LAKAFKEVGY TDILDENGXI RSGKGEGXLV DATA SEQUENCE GLLLAKAIGA EYVGFVDADN YIPGAVNEYV KDYAAGFLXS ESEYTXVRLH DATA SEQUENCE WXXXXXXXXX XXXXXXXXXV SEITNHYLNL LVSEHTAFET TIXVTGNAGE DATA SEQUENCE HAXTXKLAEI LPFSTGYSIE PYEIVYILER FGKWENVEEF KDVFDQGIEI DATA SEQUENCE FQIETLNPHF HEXXXXXHVK EXLLLSLATI YHSKLATDNL RKRILKDLRD DATA SEQUENCE XXXXXXXEEP PKPLVXRPIK EIPIKEWXDI VEGNSETLLR FEL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 L HA 0.000 nan 4.340 nan 0.000 0.249 2 L C 0.000 176.870 176.870 -0.000 0.000 1.165 2 L CA 0.000 54.841 54.840 0.001 0.000 0.813 2 L CB 0.000 42.064 42.059 0.008 0.000 0.961 3 L N 0.904 122.124 121.223 -0.003 0.000 2.359 3 L HA 0.533 4.874 4.340 0.001 0.000 0.256 3 L C -0.348 176.529 176.870 0.010 0.000 1.026 3 L CA -0.892 53.948 54.840 -0.000 0.000 0.828 3 L CB 2.298 44.345 42.059 -0.020 0.000 1.406 3 L HN 0.497 nan 8.230 nan 0.000 0.413 4 E N 0.882 121.095 120.200 0.022 0.000 2.392 4 E HA 0.341 4.691 4.350 0.001 0.000 0.264 4 E C -0.276 176.344 176.600 0.034 0.000 1.024 4 E CA -0.371 56.048 56.400 0.031 0.000 0.903 4 E CB 0.989 30.714 29.700 0.042 0.000 0.963 4 E HN 0.582 nan 8.360 nan 0.000 0.432 5 A N 4.427 127.270 122.820 0.038 0.000 2.407 5 A HA 0.223 4.544 4.320 0.001 0.000 0.248 5 A C -2.000 175.625 177.584 0.069 0.000 1.082 5 A CA -1.213 50.850 52.037 0.044 0.000 0.785 5 A CB -0.093 18.933 19.000 0.043 0.000 1.020 5 A HN 0.408 nan 8.150 nan 0.000 0.489 6 P HA 0.226 nan 4.420 nan 0.000 0.277 6 P C 0.149 177.527 177.300 0.129 0.000 1.354 6 P CA 0.014 63.183 63.100 0.115 0.000 0.891 6 P CB 0.943 32.697 31.700 0.089 0.000 1.058 7 V N 4.115 124.110 119.914 0.136 0.000 2.868 7 V HA 0.036 4.157 4.120 0.001 0.000 0.227 7 V C 0.851 177.026 176.094 0.136 0.000 1.136 7 V CA 0.623 62.998 62.300 0.126 0.000 1.206 7 V CB -1.035 30.861 31.823 0.122 0.000 0.997 7 V HN 0.322 nan 8.190 nan 0.000 0.505 8 Y N 3.365 123.691 120.300 0.043 0.000 2.397 8 Y HA 0.466 5.016 4.550 0.001 0.000 0.335 8 Y C 0.187 176.094 175.900 0.012 0.000 1.213 8 Y CA -0.362 57.746 58.100 0.014 0.000 1.391 8 Y CB 0.269 38.731 38.460 0.004 0.000 1.293 8 Y HN 0.429 nan 8.280 nan 0.000 0.557 9 K N 2.325 122.135 120.400 -0.983 0.000 2.736 9 K HA 0.436 4.757 4.320 0.001 0.000 0.290 9 K C -2.012 174.105 176.600 -0.806 0.000 1.033 9 K CA -1.031 54.839 56.287 -0.695 0.000 0.852 9 K CB 1.278 33.489 32.500 -0.482 0.000 1.494 9 K HN 0.622 nan 8.250 nan 0.000 0.378 10 E N 0.687 120.573 120.200 -0.523 0.000 2.288 10 E HA 0.498 4.849 4.350 0.001 0.000 0.268 10 E C -1.248 175.002 176.600 -0.582 0.000 0.885 10 E CA -1.090 54.986 56.400 -0.540 0.000 0.767 10 E CB 2.054 31.528 29.700 -0.377 0.000 1.220 10 E HN 0.357 nan 8.360 nan 0.000 0.427 11 I N 1.792 121.899 120.570 -0.771 0.000 2.493 11 I HA 0.391 4.561 4.170 0.001 0.000 0.298 11 I C -1.137 174.441 176.117 -0.898 0.000 0.998 11 I CA -0.418 60.531 61.300 -0.586 0.000 1.137 11 I CB 0.923 38.737 38.000 -0.310 0.000 1.310 11 I HN 0.397 nan 8.210 nan 0.000 0.445 12 F N 4.089 123.975 119.950 -0.106 0.000 2.828 12 F HA 0.574 5.101 4.527 0.001 0.000 0.355 12 F C 0.881 176.606 175.800 -0.125 0.000 1.200 12 F CA -0.426 57.526 58.000 -0.081 0.000 1.062 12 F CB 1.237 40.176 39.000 -0.102 0.000 1.351 12 F HN 0.736 nan 8.300 nan 0.000 0.504 13 G N 2.216 111.036 108.800 0.033 0.000 2.629 13 G HA2 -0.274 3.687 3.960 0.001 0.000 0.313 13 G HA3 -0.274 3.687 3.960 0.001 0.000 0.313 13 G C 1.009 175.632 174.900 -0.463 0.000 1.217 13 G CA 0.466 45.358 45.100 -0.347 0.000 0.994 13 G HN 1.208 nan 8.290 nan 0.000 0.549 14 A N -0.559 121.879 122.820 -0.635 0.000 2.307 14 A HA 0.613 4.933 4.320 0.001 0.000 0.218 14 A C 0.767 178.219 177.584 -0.220 0.000 1.228 14 A CA 1.272 53.088 52.037 -0.368 0.000 0.857 14 A CB 0.049 18.861 19.000 -0.314 0.000 0.897 14 A HN 1.373 nan 8.150 nan 0.000 0.495 15 V N 0.820 120.641 119.914 -0.154 0.000 2.407 15 V HA 0.355 4.475 4.120 0.001 0.000 0.278 15 V C 0.021 176.076 176.094 -0.066 0.000 1.037 15 V CA -0.196 62.033 62.300 -0.119 0.000 0.900 15 V CB 1.304 33.086 31.823 -0.070 0.000 0.983 15 V HN 0.241 nan 8.190 nan 0.000 0.459 16 T N 6.588 121.053 114.554 -0.149 0.000 2.772 16 T HA 0.593 4.943 4.350 0.001 0.000 0.288 16 T C -0.209 174.319 174.700 -0.286 0.000 0.994 16 T CA -0.058 61.890 62.100 -0.252 0.000 0.951 16 T CB 0.438 69.088 68.868 -0.362 0.000 0.933 16 T HN 0.411 nan 8.240 nan 0.000 0.447 17 I N 4.495 124.944 120.570 -0.202 0.000 2.328 17 I HA 0.267 4.438 4.170 0.001 0.000 0.287 17 I C 0.476 176.448 176.117 -0.242 0.000 1.012 17 I CA -0.879 60.325 61.300 -0.160 0.000 1.195 17 I CB 0.697 38.695 38.000 -0.004 0.000 1.350 17 I HN 0.492 nan 8.210 nan 0.000 0.464 18 H N 5.272 124.198 119.070 -0.240 0.000 2.652 18 H HA 0.144 4.700 4.556 0.001 0.000 0.349 18 H C 0.004 175.285 175.328 -0.079 0.000 1.099 18 H CA -0.024 55.895 56.048 -0.215 0.000 1.417 18 H CB 1.205 30.757 29.762 -0.350 0.000 1.457 18 H HN 0.583 nan 8.280 nan 0.000 0.568 19 E N 1.675 121.951 120.200 0.127 0.000 2.415 19 E HA 0.017 4.368 4.350 0.001 0.000 0.262 19 E C -0.197 176.472 176.600 0.116 0.000 1.038 19 E CA -0.371 56.124 56.400 0.158 0.000 0.921 19 E CB 0.943 30.817 29.700 0.290 0.000 0.950 19 E HN 0.264 nan 8.360 nan 0.000 0.438 20 V N 3.793 123.741 119.914 0.057 0.000 2.694 20 V HA -0.089 4.031 4.120 0.001 0.000 0.306 20 V C -0.518 175.616 176.094 0.067 0.000 1.054 20 V CA 0.763 63.083 62.300 0.032 0.000 1.161 20 V CB 0.663 32.456 31.823 -0.050 0.000 0.916 20 V HN 0.692 nan 8.190 nan 0.000 0.490 21 Q N 5.109 124.953 119.800 0.074 0.000 2.345 21 Q HA 0.551 4.892 4.340 0.001 0.000 0.268 21 Q C -1.100 174.934 176.000 0.057 0.000 1.054 21 Q CA -0.786 55.058 55.803 0.068 0.000 0.835 21 Q CB 2.531 31.311 28.738 0.070 0.000 1.339 21 Q HN 0.662 nan 8.270 nan 0.000 0.447 22 K N 0.682 121.112 120.400 0.051 0.000 2.123 22 K HA 0.429 4.749 4.320 0.001 0.000 0.259 22 K C -0.885 175.736 176.600 0.035 0.000 0.960 22 K CA -0.587 55.730 56.287 0.049 0.000 0.872 22 K CB 1.641 34.172 32.500 0.052 0.000 1.079 22 K HN 0.286 nan 8.250 nan 0.000 0.440 23 V N 5.087 125.022 119.914 0.036 0.000 2.508 23 V HA -0.002 4.119 4.120 0.001 0.000 0.281 23 V C 0.980 177.091 176.094 0.028 0.000 1.041 23 V CA 0.091 62.406 62.300 0.025 0.000 1.016 23 V CB 0.768 32.608 31.823 0.028 0.000 0.984 23 V HN 0.737 nan 8.190 nan 0.000 0.478 24 I N 3.270 123.853 120.570 0.021 0.000 3.526 24 I HA 0.264 4.434 4.170 0.001 0.000 0.294 24 I C 0.762 176.891 176.117 0.021 0.000 1.229 24 I CA 0.762 62.075 61.300 0.023 0.000 1.408 24 I CB 0.028 38.040 38.000 0.020 0.000 1.127 24 I HN 0.610 nan 8.210 nan 0.000 0.439 28 T N 1.566 116.141 114.554 0.034 0.000 2.879 28 T HA 0.291 4.642 4.350 0.001 0.000 0.290 28 T C 0.253 174.968 174.700 0.024 0.000 0.993 28 T CA -0.522 61.592 62.100 0.024 0.000 0.975 28 T CB 2.523 71.403 68.868 0.020 0.000 0.981 28 T HN 0.147 nan 8.240 nan 0.000 0.439 38 I N 2.103 122.687 120.570 0.023 0.000 2.512 38 I HA 0.516 4.687 4.170 0.001 0.000 0.287 38 I C -0.184 175.942 176.117 0.014 0.000 1.069 38 I CA -0.514 60.797 61.300 0.019 0.000 1.056 38 I CB 1.892 39.901 38.000 0.016 0.000 1.229 38 I HN 0.149 nan 8.210 nan 0.000 0.429 39 S N 5.276 120.981 115.700 0.009 0.000 2.545 39 S HA 0.304 4.775 4.470 0.001 0.000 0.275 39 S C 0.183 174.780 174.600 -0.005 0.000 1.299 39 S CA -0.440 57.759 58.200 -0.001 0.000 1.048 39 S CB 0.766 63.956 63.200 -0.016 0.000 0.938 39 S HN 0.557 nan 8.310 nan 0.000 0.496 40 N N 3.056 121.754 118.700 -0.004 0.000 2.518 40 N HA 0.257 4.997 4.740 0.001 0.000 0.254 40 N C -1.374 174.131 175.510 -0.007 0.000 0.979 40 N CA -0.463 52.586 53.050 -0.002 0.000 0.930 40 N CB 0.308 38.798 38.487 0.005 0.000 1.152 40 N HN 0.385 nan 8.380 nan 0.000 0.505 41 I N 4.661 125.223 120.570 -0.014 0.000 2.347 41 I HA 0.336 4.506 4.170 0.001 0.000 0.283 41 I C -2.069 174.051 176.117 0.003 0.000 1.058 41 I CA -2.123 59.166 61.300 -0.018 0.000 1.202 41 I CB 0.458 38.431 38.000 -0.045 0.000 1.386 41 I HN 0.214 nan 8.210 nan 0.000 0.475 42 P HA 0.058 nan 4.420 nan 0.000 0.264 42 P C 1.082 178.419 177.300 0.061 0.000 1.183 42 P CA -0.070 63.048 63.100 0.031 0.000 0.763 42 P CB 0.681 32.398 31.700 0.027 0.000 0.807 43 R N 3.629 124.180 120.500 0.085 0.000 2.133 43 R HA -0.268 4.072 4.340 0.001 0.000 0.247 43 R C 1.714 178.186 176.300 0.286 0.000 1.151 43 R CA 2.035 58.244 56.100 0.181 0.000 0.971 43 R CB -0.275 30.118 30.300 0.155 0.000 0.866 43 R HN 0.531 nan 8.270 nan 0.000 0.447 44 E N -0.211 120.079 120.200 0.150 0.000 2.152 44 E HA -0.125 4.225 4.350 0.001 0.000 0.192 44 E C 1.302 177.990 176.600 0.146 0.000 0.983 44 E CA 0.695 57.183 56.400 0.146 0.000 0.818 44 E CB 0.263 29.992 29.700 0.047 0.000 0.758 44 E HN 0.243 nan 8.360 nan 0.000 0.467 45 K N 0.402 120.858 120.400 0.092 0.000 2.148 45 K HA -0.086 4.234 4.320 0.001 0.000 0.204 45 K C 2.044 178.670 176.600 0.045 0.000 1.050 45 K CA 0.673 56.993 56.287 0.056 0.000 0.942 45 K CB -0.181 32.336 32.500 0.028 0.000 0.724 45 K HN 0.307 nan 8.250 nan 0.000 0.446 46 I N -0.188 120.412 120.570 0.050 0.000 2.315 46 I HA -0.253 3.917 4.170 0.001 0.000 0.248 46 I C 1.811 177.863 176.117 -0.109 0.000 1.117 46 I CA 1.174 62.445 61.300 -0.048 0.000 1.404 46 I CB -0.198 37.750 38.000 -0.087 0.000 1.071 46 I HN 0.047 nan 8.210 nan 0.000 0.419 47 Y N 0.034 120.334 120.300 0.001 0.000 2.439 47 Y HA -0.203 4.347 4.550 0.001 0.000 0.292 47 Y C 2.336 178.247 175.900 0.017 0.000 1.130 47 Y CA 1.078 59.186 58.100 0.013 0.000 1.254 47 Y CB -0.189 38.279 38.460 0.014 0.000 1.000 47 Y HN 0.209 nan 8.280 nan 0.000 0.554 48 D N 0.261 120.740 120.400 0.132 0.000 2.103 48 D HA -0.162 4.479 4.640 0.001 0.000 0.199 48 D C 2.178 178.507 176.300 0.049 0.000 0.978 48 D CA 0.816 54.868 54.000 0.087 0.000 0.829 48 D CB -0.056 40.786 40.800 0.069 0.000 0.981 48 D HN 0.364 nan 8.370 nan 0.000 0.464 49 L N 0.460 121.683 121.223 0.000 0.000 2.093 49 L HA -0.171 4.169 4.340 0.001 0.000 0.208 49 L C 2.406 179.247 176.870 -0.049 0.000 1.085 49 L CA 0.588 55.391 54.840 -0.063 0.000 0.755 49 L CB -0.163 41.786 42.059 -0.184 0.000 0.904 49 L HN 0.027 nan 8.230 nan 0.000 0.435 50 L N 0.391 121.584 121.223 -0.049 0.000 2.051 50 L HA -0.202 4.139 4.340 0.001 0.000 0.214 50 L C 2.461 179.350 176.870 0.032 0.000 1.076 50 L CA 2.108 56.928 54.840 -0.034 0.000 0.758 50 L CB -1.656 40.341 42.059 -0.104 0.000 0.890 50 L HN 0.369 nan 8.230 nan 0.000 0.433 51 G N -1.599 107.236 108.800 0.058 0.000 2.559 51 G HA2 -0.121 3.840 3.960 0.001 0.000 0.216 51 G HA3 -0.121 3.840 3.960 0.001 0.000 0.216 51 G C 0.930 175.877 174.900 0.079 0.000 1.126 51 G CA 0.288 45.434 45.100 0.076 0.000 0.778 51 G HN 0.326 nan 8.290 nan 0.000 0.543 55 V N 3.900 123.794 119.914 -0.033 0.000 2.318 55 V HA 0.348 4.468 4.120 0.001 0.000 0.271 55 V C -0.015 176.029 176.094 -0.083 0.000 1.030 55 V CA -0.035 62.241 62.300 -0.040 0.000 0.844 55 V CB 0.690 32.543 31.823 0.050 0.000 1.015 55 V HN 0.648 nan 8.190 nan 0.000 0.460 56 I N 5.413 125.841 120.570 -0.236 0.000 2.342 56 I HA 0.333 4.503 4.170 0.001 0.000 0.291 56 I C -0.227 175.877 176.117 -0.021 0.000 1.010 56 I CA -0.368 60.821 61.300 -0.186 0.000 1.308 56 I CB 1.535 39.298 38.000 -0.396 0.000 1.400 56 I HN 0.260 nan 8.210 nan 0.000 0.488 57 V N 8.028 127.972 119.914 0.050 0.000 2.289 57 V HA 0.310 4.431 4.120 0.001 0.000 0.272 57 V C -2.226 173.927 176.094 0.098 0.000 1.026 57 V CA -1.488 60.869 62.300 0.095 0.000 0.807 57 V CB 0.596 32.461 31.823 0.069 0.000 1.044 57 V HN 0.580 nan 8.190 nan 0.000 0.443 61 N N 1.915 120.651 118.700 0.060 0.000 2.725 61 N HA -0.184 4.556 4.740 0.001 0.000 0.249 61 N C -0.643 174.887 175.510 0.034 0.000 1.103 61 N CA 1.236 54.318 53.050 0.055 0.000 0.707 61 N CB -0.272 38.248 38.487 0.056 0.000 1.043 61 N HN 0.629 nan 8.380 nan 0.000 0.553 62 E N 0.987 121.199 120.200 0.019 0.000 2.369 62 E HA 0.144 4.495 4.350 0.001 0.000 0.255 62 E C 0.575 177.158 176.600 -0.028 0.000 1.172 62 E CA -0.167 56.225 56.400 -0.013 0.000 0.932 62 E CB 0.547 30.226 29.700 -0.035 0.000 1.040 62 E HN 0.045 nan 8.360 nan 0.000 0.454 63 K N 1.760 122.116 120.400 -0.073 0.000 2.416 63 K HA 0.071 4.391 4.320 0.001 0.000 0.283 63 K C 1.383 177.898 176.600 -0.142 0.000 1.037 63 K CA 0.041 56.270 56.287 -0.097 0.000 0.995 63 K CB 0.400 32.767 32.500 -0.220 0.000 0.938 63 K HN 0.435 nan 8.250 nan 0.000 0.475 64 L N 2.130 123.330 121.223 -0.038 0.000 2.131 64 L HA -0.245 4.096 4.340 0.001 0.000 0.210 64 L C 2.250 179.098 176.870 -0.036 0.000 1.092 64 L CA 1.545 56.368 54.840 -0.028 0.000 0.759 64 L CB -0.620 41.450 42.059 0.018 0.000 0.903 64 L HN 0.756 nan 8.230 nan 0.000 0.435 65 H N -1.426 117.646 119.070 0.003 0.000 2.462 65 H HA -0.064 4.493 4.556 0.001 0.000 0.292 65 H C 2.029 177.360 175.328 0.006 0.000 1.049 65 H CA 0.889 56.941 56.048 0.006 0.000 1.334 65 H CB -0.323 29.450 29.762 0.019 0.000 1.404 65 H HN 0.223 nan 8.280 nan 0.000 0.544 66 L N 0.190 121.078 121.223 -0.558 0.000 2.131 66 L HA -0.041 4.299 4.340 0.001 0.000 0.206 66 L C 2.343 179.106 176.870 -0.177 0.000 1.087 66 L CA 0.490 55.128 54.840 -0.336 0.000 0.767 66 L CB -0.159 41.657 42.059 -0.405 0.000 0.917 66 L HN 0.232 nan 8.230 nan 0.000 0.441 67 V N 0.092 119.906 119.914 -0.167 0.000 2.343 67 V HA -0.321 3.800 4.120 0.001 0.000 0.247 67 V C 2.133 178.130 176.094 -0.161 0.000 1.051 67 V CA 2.178 64.401 62.300 -0.129 0.000 1.036 67 V CB -0.448 31.315 31.823 -0.101 0.000 0.654 67 V HN 0.453 nan 8.190 nan 0.000 0.451 68 D N 0.312 120.628 120.400 -0.140 0.000 2.117 68 D HA -0.114 4.526 4.640 0.001 0.000 0.197 68 D C 2.162 178.378 176.300 -0.141 0.000 0.987 68 D CA 1.511 55.414 54.000 -0.160 0.000 0.829 68 D CB -0.351 40.422 40.800 -0.046 0.000 0.961 68 D HN 0.376 nan 8.370 nan 0.000 0.460 69 G N -0.380 108.378 108.800 -0.070 0.000 2.403 69 G HA2 -0.156 3.805 3.960 0.001 0.000 0.216 69 G HA3 -0.156 3.805 3.960 0.001 0.000 0.216 69 G C 1.798 176.663 174.900 -0.058 0.000 1.154 69 G CA 0.724 45.805 45.100 -0.032 0.000 0.784 69 G HN 0.274 nan 8.290 nan 0.000 0.538 70 V N 0.709 120.574 119.914 -0.082 0.000 2.295 70 V HA -0.117 4.004 4.120 0.001 0.000 0.246 70 V C 2.845 178.886 176.094 -0.089 0.000 1.049 70 V CA 1.219 63.477 62.300 -0.070 0.000 1.024 70 V CB -0.399 31.392 31.823 -0.054 0.000 0.648 70 V HN 0.224 nan 8.190 nan 0.000 0.447 71 L N -0.037 121.066 121.223 -0.200 0.000 2.042 71 L HA -0.180 4.160 4.340 0.001 0.000 0.210 71 L C 2.333 179.133 176.870 -0.116 0.000 1.076 71 L CA 1.858 56.503 54.840 -0.325 0.000 0.749 71 L CB -0.990 40.495 42.059 -0.956 0.000 0.893 71 L HN 0.302 nan 8.230 nan 0.000 0.432 72 K N -1.196 119.157 120.400 -0.078 0.000 2.362 72 K HA -0.031 4.290 4.320 0.001 0.000 0.200 72 K C 1.873 178.541 176.600 0.113 0.000 1.046 72 K CA 0.946 57.324 56.287 0.152 0.000 0.952 72 K CB -0.121 32.455 32.500 0.125 0.000 0.753 72 K HN 0.322 nan 8.250 nan 0.000 0.466 73 A N 0.901 123.749 122.820 0.045 0.000 2.147 73 A HA 0.121 4.441 4.320 0.001 0.000 0.211 73 A C 0.892 178.496 177.584 0.033 0.000 1.160 73 A CA -0.066 51.987 52.037 0.026 0.000 0.781 73 A CB -0.005 18.982 19.000 -0.023 0.000 0.842 73 A HN 0.088 nan 8.150 nan 0.000 0.475 74 I N 1.699 122.301 120.570 0.053 0.000 2.618 74 I HA 0.111 4.281 4.170 0.001 0.000 0.284 74 I C -2.225 173.942 176.117 0.084 0.000 1.146 74 I CA -1.755 59.580 61.300 0.058 0.000 1.425 74 I CB 0.764 38.807 38.000 0.072 0.000 1.383 74 I HN 0.045 nan 8.210 nan 0.000 0.562 75 P HA -0.079 nan 4.420 nan 0.000 0.261 75 P C 0.434 177.820 177.300 0.143 0.000 1.183 75 P CA 0.383 63.546 63.100 0.106 0.000 0.761 75 P CB 0.352 32.070 31.700 0.030 0.000 0.785 76 H N 3.458 122.588 119.070 0.099 0.000 2.362 76 H HA -0.274 4.282 4.556 0.001 0.000 0.294 76 H C 1.938 177.320 175.328 0.090 0.000 1.113 76 H CA 2.297 58.397 56.048 0.087 0.000 1.253 76 H CB 0.204 30.005 29.762 0.066 0.000 1.363 76 H HN 0.250 nan 8.280 nan 0.000 0.494 77 K N -0.211 120.337 120.400 0.246 0.000 2.160 77 K HA -0.078 4.242 4.320 0.001 0.000 0.206 77 K C -0.025 176.639 176.600 0.108 0.000 1.047 77 K CA 1.090 57.485 56.287 0.180 0.000 0.930 77 K CB -0.139 32.469 32.500 0.181 0.000 0.720 77 K HN 0.268 nan 8.250 nan 0.000 0.450 78 C N 2.530 121.877 119.300 0.079 0.000 2.514 78 C HA 0.314 4.775 4.460 0.001 0.000 0.392 78 C C -2.269 172.754 174.990 0.054 0.000 1.294 78 C CA -1.662 57.392 59.018 0.061 0.000 1.957 78 C CB 0.348 28.121 27.740 0.056 0.000 2.541 78 C HN 0.365 nan 8.230 nan 0.000 0.569 79 P HA 0.379 nan 4.420 nan 0.000 0.275 79 P C -0.736 176.596 177.300 0.054 0.000 1.227 79 P CA 0.093 63.226 63.100 0.054 0.000 0.781 79 P CB 0.394 32.122 31.700 0.046 0.000 0.906 80 I N 3.670 124.285 120.570 0.076 0.000 2.378 80 I HA 0.389 4.559 4.170 0.001 0.000 0.291 80 I C 0.026 176.190 176.117 0.079 0.000 0.992 80 I CA -0.465 60.883 61.300 0.080 0.000 1.154 80 I CB 1.101 39.174 38.000 0.121 0.000 1.315 80 I HN 0.112 nan 8.210 nan 0.000 0.448 81 I N 7.396 127.995 120.570 0.048 0.000 2.382 81 I HA 0.417 4.587 4.170 0.001 0.000 0.286 81 I C -0.478 175.674 176.117 0.058 0.000 1.002 81 I CA -0.359 60.971 61.300 0.051 0.000 1.135 81 I CB 1.387 39.398 38.000 0.018 0.000 1.288 81 I HN 0.377 nan 8.210 nan 0.000 0.448 82 I N 7.021 127.644 120.570 0.088 0.000 2.339 82 I HA 0.349 4.519 4.170 0.001 0.000 0.290 82 I C -0.532 175.645 176.117 0.101 0.000 0.994 82 I CA -0.823 60.533 61.300 0.094 0.000 1.191 82 I CB 1.805 39.873 38.000 0.113 0.000 1.343 82 I HN 0.170 nan 8.210 nan 0.000 0.458 83 V N 5.159 125.119 119.914 0.075 0.000 2.304 83 V HA 0.217 4.337 4.120 0.001 0.000 0.278 83 V C 0.194 176.293 176.094 0.008 0.000 1.018 83 V CA -0.422 61.905 62.300 0.045 0.000 0.814 83 V CB 1.298 33.143 31.823 0.038 0.000 1.021 83 V HN 0.792 nan 8.190 nan 0.000 0.440 84 S N 3.859 119.556 115.700 -0.005 0.000 2.475 84 S HA 0.357 4.828 4.470 0.001 0.000 0.281 84 S C 0.318 174.690 174.600 -0.379 0.000 1.198 84 S CA -0.448 57.730 58.200 -0.037 0.000 1.063 84 S CB 0.509 63.847 63.200 0.231 0.000 0.972 84 S HN 0.764 nan 8.310 nan 0.000 0.486 85 N N 3.381 121.924 118.700 -0.262 0.000 2.535 85 N HA 0.208 4.948 4.740 0.001 0.000 0.294 85 N C -0.326 175.150 175.510 -0.056 0.000 1.408 85 N CA -0.215 52.621 53.050 -0.356 0.000 0.927 85 N CB 0.681 39.064 38.487 -0.174 0.000 1.276 85 N HN 0.447 nan 8.380 nan 0.000 0.505 86 S N 0.157 115.910 115.700 0.087 0.000 2.603 86 S HA 0.147 4.618 4.470 0.001 0.000 0.268 86 S C 0.170 174.944 174.600 0.290 0.000 1.317 86 S CA -0.601 57.725 58.200 0.209 0.000 1.012 86 S CB 0.471 63.815 63.200 0.241 0.000 0.926 86 S HN 0.398 nan 8.310 nan 0.000 0.539 87 K N 1.653 122.156 120.400 0.172 0.000 2.472 87 K HA 0.042 4.362 4.320 0.001 0.000 0.280 87 K C 0.497 177.169 176.600 0.119 0.000 1.028 87 K CA 0.222 56.584 56.287 0.125 0.000 1.045 87 K CB 0.232 32.783 32.500 0.086 0.000 0.902 87 K HN 0.602 nan 8.250 nan 0.000 0.478 88 R N 3.405 123.938 120.500 0.055 0.000 2.466 88 R HA 0.085 4.425 4.340 0.001 0.000 0.279 88 R C -0.580 175.726 176.300 0.010 0.000 0.976 88 R CA -0.095 56.005 56.100 0.000 0.000 1.081 88 R CB -0.004 30.201 30.300 -0.157 0.000 1.215 88 R HN 0.679 nan 8.270 nan 0.000 0.546 89 E N -1.121 119.094 120.200 0.026 0.000 2.400 89 E HA 0.302 4.652 4.350 0.001 0.000 0.285 89 E C -0.536 176.079 176.600 0.025 0.000 1.005 89 E CA -0.881 55.532 56.400 0.020 0.000 0.816 89 E CB 0.949 30.654 29.700 0.008 0.000 1.220 89 E HN 0.036 nan 8.360 nan 0.000 0.426 90 G N 2.848 111.661 108.800 0.023 0.000 2.371 90 G HA2 -0.196 3.764 3.960 0.001 0.000 0.299 90 G HA3 -0.196 3.764 3.960 0.001 0.000 0.299 90 G C -2.132 172.784 174.900 0.027 0.000 1.014 90 G CA 0.304 45.417 45.100 0.022 0.000 1.097 90 G HN 0.549 nan 8.290 nan 0.000 0.512 91 P HA 0.362 nan 4.420 nan 0.000 0.287 91 P C -0.625 176.699 177.300 0.041 0.000 1.292 91 P CA -1.130 61.989 63.100 0.032 0.000 0.879 91 P CB 1.132 32.850 31.700 0.031 0.000 1.214 92 N N 1.126 119.851 118.700 0.041 0.000 2.508 92 N HA 0.054 4.795 4.740 0.001 0.000 0.253 92 N C 0.923 176.478 175.510 0.074 0.000 1.145 92 N CA 0.052 53.136 53.050 0.057 0.000 0.973 92 N CB -0.127 38.391 38.487 0.051 0.000 1.305 92 N HN 0.245 nan 8.380 nan 0.000 0.506 93 R N 1.957 122.515 120.500 0.097 0.000 2.189 93 R HA -0.125 4.216 4.340 0.001 0.000 0.218 93 R C 0.984 177.364 176.300 0.133 0.000 1.074 93 R CA 0.690 56.850 56.100 0.100 0.000 0.991 93 R CB -0.184 30.179 30.300 0.104 0.000 0.883 93 R HN 0.555 nan 8.270 nan 0.000 0.457 94 Y N 2.426 122.770 120.300 0.073 0.000 2.224 94 Y HA -0.267 4.284 4.550 0.001 0.000 0.289 94 Y C 2.264 178.209 175.900 0.075 0.000 1.146 94 Y CA 1.593 59.757 58.100 0.107 0.000 1.182 94 Y CB -0.138 38.382 38.460 0.100 0.000 0.983 94 Y HN -0.206 nan 8.280 nan 0.000 0.524 95 K N 0.156 120.553 120.400 -0.005 0.000 2.097 95 K HA -0.133 4.188 4.320 0.001 0.000 0.206 95 K C 1.768 178.323 176.600 -0.074 0.000 1.049 95 K CA 1.538 57.787 56.287 -0.063 0.000 0.933 95 K CB -0.761 31.750 32.500 0.018 0.000 0.717 95 K HN 0.334 nan 8.250 nan 0.000 0.442 96 L N 1.389 122.593 121.223 -0.031 0.000 2.141 96 L HA -0.044 4.296 4.340 0.001 0.000 0.209 96 L C 1.868 178.714 176.870 -0.039 0.000 1.094 96 L CA 1.703 56.532 54.840 -0.019 0.000 0.763 96 L CB -0.709 41.356 42.059 0.009 0.000 0.908 96 L HN 0.316 nan 8.230 nan 0.000 0.437 97 E N -1.431 118.723 120.200 -0.076 0.000 2.112 97 E HA -0.117 4.233 4.350 0.001 0.000 0.190 97 E C 2.256 178.785 176.600 -0.119 0.000 0.979 97 E CA 0.764 57.115 56.400 -0.081 0.000 0.814 97 E CB -0.072 29.593 29.700 -0.057 0.000 0.762 97 E HN 0.216 nan 8.360 nan 0.000 0.460 98 V N 2.256 122.021 119.914 -0.248 0.000 2.343 98 V HA -0.253 3.867 4.120 0.001 0.000 0.247 98 V C 1.667 177.755 176.094 -0.010 0.000 1.051 98 V CA 1.996 64.189 62.300 -0.179 0.000 1.036 98 V CB -0.392 31.270 31.823 -0.268 0.000 0.654 98 V HN 0.213 nan 8.190 nan 0.000 0.451 99 D N -0.281 120.111 120.400 -0.013 0.000 2.097 99 D HA -0.145 4.496 4.640 0.001 0.000 0.197 99 D C 1.963 178.309 176.300 0.076 0.000 0.984 99 D CA 1.158 55.181 54.000 0.038 0.000 0.826 99 D CB -0.335 40.473 40.800 0.014 0.000 0.973 99 D HN 0.356 nan 8.370 nan 0.000 0.460 100 L N 0.841 122.095 121.223 0.052 0.000 2.046 100 L HA -0.151 4.189 4.340 0.001 0.000 0.208 100 L C 2.021 178.983 176.870 0.154 0.000 1.077 100 L CA 1.292 56.184 54.840 0.086 0.000 0.747 100 L CB -0.328 41.748 42.059 0.028 0.000 0.896 100 L HN -0.046 nan 8.230 nan 0.000 0.432 101 I N -0.191 120.453 120.570 0.124 0.000 2.286 101 I HA -0.257 3.913 4.170 0.001 0.000 0.248 101 I C 2.636 178.832 176.117 0.132 0.000 1.115 101 I CA 1.442 62.854 61.300 0.186 0.000 1.392 101 I CB -1.208 36.909 38.000 0.195 0.000 1.065 101 I HN 0.367 nan 8.210 nan 0.000 0.418 102 R N -0.611 119.949 120.500 0.099 0.000 2.090 102 R HA -0.149 4.191 4.340 0.001 0.000 0.228 102 R C 2.321 178.646 176.300 0.041 0.000 1.110 102 R CA 0.982 57.074 56.100 -0.014 0.000 0.973 102 R CB -0.688 29.704 30.300 0.153 0.000 0.869 102 R HN 0.368 nan 8.270 nan 0.000 0.440 103 H N 0.459 119.555 119.070 0.043 0.000 2.321 103 H HA -0.167 4.389 4.556 0.001 0.000 0.300 103 H C 1.705 177.054 175.328 0.034 0.000 1.087 103 H CA 1.879 57.947 56.048 0.035 0.000 1.319 103 H CB -0.255 29.539 29.762 0.053 0.000 1.379 103 H HN 0.172 nan 8.280 nan 0.000 0.501 104 F N 0.173 120.098 119.950 -0.041 0.000 2.095 104 F HA -0.265 4.263 4.527 0.001 0.000 0.298 104 F C 2.244 177.927 175.800 -0.195 0.000 1.104 104 F CA 1.873 59.809 58.000 -0.108 0.000 1.232 104 F CB -1.106 37.883 39.000 -0.018 0.000 0.987 104 F HN 0.331 nan 8.300 nan 0.000 0.475 105 Y N 1.234 121.268 120.300 -0.442 0.000 2.242 105 Y HA -0.181 4.369 4.550 0.001 0.000 0.291 105 Y C 2.074 177.700 175.900 -0.457 0.000 1.137 105 Y CA 2.236 59.970 58.100 -0.609 0.000 1.181 105 Y CB -1.096 36.797 38.460 -0.946 0.000 0.989 105 Y HN 0.213 nan 8.280 nan 0.000 0.527 106 N N -0.161 118.260 118.700 -0.464 0.000 2.309 106 N HA -0.124 4.616 4.740 0.001 0.000 0.182 106 N C 1.436 176.575 175.510 -0.618 0.000 1.018 106 N CA 1.149 53.922 53.050 -0.462 0.000 0.876 106 N CB -0.082 38.267 38.487 -0.231 0.000 0.972 106 N HN 0.375 nan 8.380 nan 0.000 0.434 107 L N -0.574 120.278 121.223 -0.619 0.000 2.463 107 L HA 0.083 4.424 4.340 0.001 0.000 0.219 107 L C 1.945 178.493 176.870 -0.536 0.000 1.088 107 L CA 0.822 55.348 54.840 -0.522 0.000 0.849 107 L CB 0.018 41.830 42.059 -0.411 0.000 1.012 107 L HN 0.306 nan 8.230 nan 0.000 0.468 108 T N -6.926 107.221 114.554 -0.679 0.000 2.958 108 T HA 0.052 4.402 4.350 0.001 0.000 0.256 108 T C 0.637 175.120 174.700 -0.361 0.000 0.983 108 T CA -0.159 61.638 62.100 -0.506 0.000 0.924 108 T CB 0.137 68.653 68.868 -0.588 0.000 1.136 108 T HN 0.169 nan 8.240 nan 0.000 0.506 109 H N 1.067 119.735 119.070 -0.670 0.000 2.791 109 H HA -0.103 4.453 4.556 0.001 0.000 0.302 109 H C -0.155 175.043 175.328 -0.217 0.000 1.198 109 H CA 0.329 56.014 56.048 -0.605 0.000 1.145 109 H CB -2.364 27.227 29.762 -0.286 0.000 1.385 109 H HN 0.459 nan 8.280 nan 0.000 0.409 110 S N 0.452 115.992 115.700 -0.267 0.000 2.576 110 S HA 0.236 4.707 4.470 0.001 0.000 0.276 110 S C 0.891 175.531 174.600 0.067 0.000 1.339 110 S CA -0.595 57.421 58.200 -0.307 0.000 1.039 110 S CB 1.254 64.264 63.200 -0.317 0.000 0.902 110 S HN 0.226 nan 8.310 nan 0.000 0.516 111 K N 2.078 122.508 120.400 0.050 0.000 2.316 111 K HA 0.486 4.807 4.320 0.001 0.000 0.289 111 K C -0.507 176.181 176.600 0.146 0.000 1.070 111 K CA 0.126 56.493 56.287 0.134 0.000 0.928 111 K CB 0.440 32.997 32.500 0.095 0.000 1.039 111 K HN 0.464 nan 8.250 nan 0.000 0.480 112 I N 3.868 124.560 120.570 0.205 0.000 2.752 112 I HA 0.422 4.593 4.170 0.001 0.000 0.295 112 I C -1.365 174.870 176.117 0.197 0.000 1.219 112 I CA -0.796 60.635 61.300 0.218 0.000 1.030 112 I CB 1.308 39.489 38.000 0.302 0.000 1.259 112 I HN 0.569 nan 8.210 nan 0.000 0.423 116 H N 3.796 122.708 119.070 -0.265 0.000 2.473 116 H HA 0.318 4.874 4.556 0.001 0.000 0.327 116 H C 0.520 175.745 175.328 -0.171 0.000 1.105 116 H CA 0.152 55.946 56.048 -0.423 0.000 1.280 116 H CB 1.769 30.988 29.762 -0.906 0.000 1.450 116 H HN 0.579 nan 8.280 nan 0.000 0.492 117 Q N 2.286 121.807 119.800 -0.464 0.000 2.181 117 Q HA -0.131 4.209 4.340 0.001 0.000 0.205 117 Q C 0.772 176.779 176.000 0.012 0.000 0.980 117 Q CA 1.282 56.983 55.803 -0.171 0.000 0.862 117 Q CB 0.264 28.871 28.738 -0.219 0.000 0.905 117 Q HN 0.475 nan 8.270 nan 0.000 0.429 118 K N 1.188 121.718 120.400 0.217 0.000 2.458 118 K HA 0.031 4.352 4.320 0.001 0.000 0.194 118 K C -0.329 176.338 176.600 0.111 0.000 1.024 118 K CA 0.062 56.467 56.287 0.196 0.000 1.108 118 K CB -0.104 32.523 32.500 0.212 0.000 0.846 118 K HN 0.205 nan 8.250 nan 0.000 0.518 119 D N 2.885 123.341 120.400 0.094 0.000 2.451 119 D HA -0.028 4.612 4.640 0.001 0.000 0.254 119 D C -1.356 174.958 176.300 0.024 0.000 1.204 119 D CA -1.465 52.545 54.000 0.018 0.000 0.896 119 D CB 1.273 42.073 40.800 -0.001 0.000 1.136 119 D HN -0.010 nan 8.370 nan 0.000 0.499 120 P HA -0.075 nan 4.420 nan 0.000 0.222 120 P C 1.194 178.494 177.300 -0.000 0.000 1.147 120 P CA 0.645 63.751 63.100 0.011 0.000 0.790 120 P CB 0.200 31.899 31.700 -0.001 0.000 0.780 121 G N -0.247 108.536 108.800 -0.028 0.000 2.598 121 G HA2 -0.135 3.826 3.960 0.001 0.000 0.215 121 G HA3 -0.135 3.826 3.960 0.001 0.000 0.215 121 G C 1.365 176.206 174.900 -0.098 0.000 1.131 121 G CA 0.085 45.145 45.100 -0.067 0.000 0.785 121 G HN 0.210 nan 8.290 nan 0.000 0.539 122 L N 0.891 122.094 121.223 -0.033 0.000 2.168 122 L HA 0.423 4.763 4.340 0.001 0.000 0.203 122 L C 2.911 179.891 176.870 0.183 0.000 1.078 122 L CA 1.682 56.527 54.840 0.008 0.000 0.780 122 L CB -0.582 41.540 42.059 0.106 0.000 0.939 122 L HN 0.148 nan 8.230 nan 0.000 0.451 123 A N -0.556 122.378 122.820 0.191 0.000 2.019 123 A HA -0.235 4.086 4.320 0.001 0.000 0.219 123 A C 2.393 180.099 177.584 0.204 0.000 1.164 123 A CA 1.805 53.992 52.037 0.249 0.000 0.644 123 A CB -0.567 18.514 19.000 0.134 0.000 0.805 123 A HN 0.489 nan 8.150 nan 0.000 0.449 124 K N -0.210 120.240 120.400 0.085 0.000 2.103 124 K HA 0.000 4.321 4.320 0.001 0.000 0.204 124 K C 2.107 178.709 176.600 0.005 0.000 1.052 124 K CA 1.084 57.391 56.287 0.033 0.000 0.945 124 K CB -0.320 32.167 32.500 -0.021 0.000 0.722 124 K HN 0.323 nan 8.250 nan 0.000 0.443 125 A N 0.596 123.348 122.820 -0.112 0.000 1.902 125 A HA -0.108 4.212 4.320 0.001 0.000 0.217 125 A C 1.860 179.436 177.584 -0.013 0.000 1.181 125 A CA 1.161 53.036 52.037 -0.271 0.000 0.623 125 A CB -0.754 17.707 19.000 -0.899 0.000 0.818 125 A HN 0.353 nan 8.150 nan 0.000 0.443 126 F N 0.384 120.480 119.950 0.244 0.000 2.171 126 F HA -0.120 4.408 4.527 0.001 0.000 0.300 126 F C 2.296 178.240 175.800 0.240 0.000 1.090 126 F CA 1.831 60.039 58.000 0.346 0.000 1.293 126 F CB -0.145 39.053 39.000 0.330 0.000 1.013 126 F HN 0.180 nan 8.300 nan 0.000 0.486 127 K N 0.124 120.712 120.400 0.314 0.000 2.005 127 K HA -0.097 4.223 4.320 0.001 0.000 0.206 127 K C 1.760 178.447 176.600 0.146 0.000 1.044 127 K CA 1.358 57.764 56.287 0.198 0.000 0.942 127 K CB -0.416 32.163 32.500 0.132 0.000 0.727 127 K HN 0.191 nan 8.250 nan 0.000 0.439 128 E N 0.769 121.032 120.200 0.105 0.000 2.455 128 E HA -0.144 4.206 4.350 0.001 0.000 0.202 128 E C 1.353 178.007 176.600 0.090 0.000 1.045 128 E CA 0.611 57.053 56.400 0.070 0.000 0.872 128 E CB 0.073 29.791 29.700 0.029 0.000 0.792 128 E HN 0.035 nan 8.360 nan 0.000 0.542 129 V N -0.585 119.416 119.914 0.145 0.000 3.643 129 V HA 0.129 4.249 4.120 0.001 0.000 0.280 129 V C 1.334 177.536 176.094 0.180 0.000 1.351 129 V CA 0.918 63.316 62.300 0.164 0.000 1.073 129 V CB 0.698 32.652 31.823 0.218 0.000 0.863 129 V HN 0.475 nan 8.190 nan 0.000 0.436 130 G N -0.078 108.829 108.800 0.179 0.000 2.195 130 G HA2 -0.344 3.617 3.960 0.001 0.000 0.246 130 G HA3 -0.344 3.617 3.960 0.001 0.000 0.246 130 G C 0.149 175.153 174.900 0.173 0.000 0.984 130 G CA 0.247 45.435 45.100 0.146 0.000 0.633 130 G HN 0.505 nan 8.290 nan 0.000 0.525 131 Y N 3.101 123.505 120.300 0.173 0.000 2.627 131 Y HA 0.440 4.990 4.550 0.001 0.000 0.347 131 Y C 1.850 177.857 175.900 0.178 0.000 1.099 131 Y CA 0.763 58.979 58.100 0.194 0.000 1.408 131 Y CB 0.579 39.224 38.460 0.308 0.000 1.247 131 Y HN 0.215 nan 8.280 nan 0.000 0.506 132 T N -1.189 113.280 114.554 -0.141 0.000 3.060 132 T HA 0.002 4.353 4.350 0.001 0.000 0.249 132 T C 1.167 175.743 174.700 -0.206 0.000 1.079 132 T CA 0.260 62.307 62.100 -0.089 0.000 1.013 132 T CB 0.042 68.876 68.868 -0.056 0.000 0.975 132 T HN 0.424 nan 8.240 nan 0.000 0.518 133 D N 1.381 121.494 120.400 -0.478 0.000 2.265 133 D HA -0.004 4.637 4.640 0.001 0.000 0.208 133 D C 1.378 177.582 176.300 -0.159 0.000 0.977 133 D CA 0.549 54.337 54.000 -0.352 0.000 0.871 133 D CB -0.102 40.397 40.800 -0.502 0.000 0.925 133 D HN 0.491 nan 8.370 nan 0.000 0.485 134 I N -0.065 120.439 120.570 -0.110 0.000 3.956 134 I HA 0.084 4.254 4.170 0.001 0.000 0.333 134 I C -0.335 175.691 176.117 -0.151 0.000 1.302 134 I CA 0.023 61.235 61.300 -0.146 0.000 1.122 134 I CB 0.284 38.078 38.000 -0.342 0.000 1.013 134 I HN -0.211 nan 8.210 nan 0.000 0.405 135 L N 1.441 122.605 121.223 -0.099 0.000 2.325 135 L HA 0.350 4.691 4.340 0.001 0.000 0.279 135 L C -0.312 176.531 176.870 -0.045 0.000 1.054 135 L CA -0.956 53.851 54.840 -0.055 0.000 0.804 135 L CB 1.103 43.154 42.059 -0.013 0.000 1.200 135 L HN 0.126 nan 8.230 nan 0.000 0.436 136 D N -0.321 120.060 120.400 -0.031 0.000 2.539 136 D HA 0.118 4.759 4.640 0.001 0.000 0.276 136 D C 0.569 176.859 176.300 -0.017 0.000 1.206 136 D CA -0.619 53.365 54.000 -0.027 0.000 1.081 136 D CB 0.530 41.316 40.800 -0.022 0.000 1.142 136 D HN 0.480 nan 8.370 nan 0.000 0.595 137 E N -0.959 119.232 120.200 -0.015 0.000 2.204 137 E HA -0.165 4.185 4.350 0.001 0.000 0.195 137 E C 0.649 177.247 176.600 -0.004 0.000 0.990 137 E CA 0.923 57.317 56.400 -0.010 0.000 0.821 137 E CB -0.466 29.228 29.700 -0.010 0.000 0.750 137 E HN 0.432 nan 8.360 nan 0.000 0.477 138 N N 0.305 119.005 118.700 -0.001 0.000 2.370 138 N HA 0.101 4.842 4.740 0.001 0.000 0.198 138 N C 0.273 175.788 175.510 0.008 0.000 1.156 138 N CA 0.038 53.090 53.050 0.003 0.000 0.839 138 N CB 0.743 39.232 38.487 0.004 0.000 0.989 138 N HN 0.126 nan 8.380 nan 0.000 0.468 142 R N 3.396 123.863 120.500 -0.055 0.000 2.623 142 R HA 0.289 4.630 4.340 0.001 0.000 0.271 142 R C 0.016 176.287 176.300 -0.049 0.000 1.043 142 R CA 0.045 56.116 56.100 -0.048 0.000 1.083 142 R CB 0.801 31.065 30.300 -0.059 0.000 0.974 142 R HN 0.695 nan 8.270 nan 0.000 0.436 143 S N 1.504 117.182 115.700 -0.037 0.000 2.585 143 S HA 0.669 5.140 4.470 0.001 0.000 0.273 143 S C 0.306 174.872 174.600 -0.057 0.000 1.339 143 S CA -0.115 58.060 58.200 -0.042 0.000 1.028 143 S CB 1.674 64.860 63.200 -0.024 0.000 0.906 143 S HN 0.949 nan 8.310 nan 0.000 0.528 144 G N 0.178 108.938 108.800 -0.067 0.000 2.345 144 G HA2 0.149 4.110 3.960 0.001 0.000 0.310 144 G HA3 0.149 4.110 3.960 0.001 0.000 0.310 144 G C -0.201 174.649 174.900 -0.083 0.000 1.476 144 G CA -0.474 44.578 45.100 -0.081 0.000 0.978 144 G HN 0.634 nan 8.290 nan 0.000 0.656 145 K N -0.434 119.908 120.400 -0.096 0.000 2.167 145 K HA 0.078 4.399 4.320 0.001 0.000 0.203 145 K C 2.403 178.953 176.600 -0.085 0.000 1.052 145 K CA 1.777 58.014 56.287 -0.084 0.000 0.956 145 K CB -0.441 32.000 32.500 -0.100 0.000 0.735 145 K HN 0.640 nan 8.250 nan 0.000 0.451 146 G N 0.914 109.664 108.800 -0.084 0.000 2.402 146 G HA2 -0.232 3.728 3.960 0.001 0.000 0.216 146 G HA3 -0.232 3.728 3.960 0.001 0.000 0.216 146 G C 1.068 175.896 174.900 -0.119 0.000 1.162 146 G CA 0.752 45.803 45.100 -0.083 0.000 0.777 146 G HN 0.318 nan 8.290 nan 0.000 0.539 147 E N 0.612 120.753 120.200 -0.099 0.000 2.077 147 E HA 0.099 4.450 4.350 0.001 0.000 0.193 147 E C 2.062 178.609 176.600 -0.088 0.000 0.989 147 E CA 0.569 56.903 56.400 -0.111 0.000 0.800 147 E CB -0.556 29.079 29.700 -0.108 0.000 0.746 147 E HN 0.360 nan 8.360 nan 0.000 0.452 151 V N 0.689 120.612 119.914 0.015 0.000 2.358 151 V HA -0.128 3.993 4.120 0.001 0.000 0.246 151 V C 2.458 178.598 176.094 0.076 0.000 1.047 151 V CA 2.476 64.868 62.300 0.152 0.000 1.035 151 V CB -0.907 31.046 31.823 0.216 0.000 0.658 151 V HN 0.551 nan 8.190 nan 0.000 0.452 152 G N -0.268 108.556 108.800 0.039 0.000 2.408 152 G HA2 -0.222 3.738 3.960 0.001 0.000 0.217 152 G HA3 -0.222 3.738 3.960 0.001 0.000 0.217 152 G C 1.561 176.436 174.900 -0.042 0.000 1.150 152 G CA 0.941 46.053 45.100 0.020 0.000 0.776 152 G HN 0.409 nan 8.290 nan 0.000 0.542 153 L N 0.342 121.518 121.223 -0.077 0.000 2.046 153 L HA 0.124 4.464 4.340 0.001 0.000 0.208 153 L C 2.688 179.455 176.870 -0.171 0.000 1.077 153 L CA 1.346 56.112 54.840 -0.123 0.000 0.747 153 L CB -0.427 41.539 42.059 -0.155 0.000 0.896 153 L HN 0.206 nan 8.230 nan 0.000 0.432 154 L N -1.933 119.129 121.223 -0.268 0.000 2.109 154 L HA -0.168 4.172 4.340 0.001 0.000 0.207 154 L C 2.309 179.052 176.870 -0.211 0.000 1.086 154 L CA 0.256 54.819 54.840 -0.461 0.000 0.760 154 L CB -0.561 40.796 42.059 -1.170 0.000 0.910 154 L HN 0.239 nan 8.230 nan 0.000 0.437 155 L N 0.063 121.270 121.223 -0.026 0.000 2.046 155 L HA -0.136 4.205 4.340 0.001 0.000 0.208 155 L C 2.740 179.629 176.870 0.031 0.000 1.077 155 L CA 2.028 56.940 54.840 0.120 0.000 0.747 155 L CB -1.290 40.849 42.059 0.134 0.000 0.896 155 L HN 0.190 nan 8.230 nan 0.000 0.432 156 A N -0.888 121.916 122.820 -0.027 0.000 1.902 156 A HA -0.269 4.052 4.320 0.001 0.000 0.217 156 A C 2.449 180.003 177.584 -0.050 0.000 1.181 156 A CA 1.948 53.957 52.037 -0.046 0.000 0.623 156 A CB -0.483 18.465 19.000 -0.087 0.000 0.818 156 A HN 0.402 nan 8.150 nan 0.000 0.443 157 K N -0.307 120.048 120.400 -0.074 0.000 2.097 157 K HA -0.038 4.283 4.320 0.001 0.000 0.206 157 K C 2.030 178.609 176.600 -0.035 0.000 1.049 157 K CA 1.127 57.370 56.287 -0.074 0.000 0.933 157 K CB -0.318 32.117 32.500 -0.108 0.000 0.717 157 K HN 0.357 nan 8.250 nan 0.000 0.442 158 A N 1.434 124.254 122.820 -0.000 0.000 2.070 158 A HA -0.093 4.228 4.320 0.001 0.000 0.220 158 A C 1.886 179.485 177.584 0.026 0.000 1.159 158 A CA 1.467 53.531 52.037 0.046 0.000 0.656 158 A CB -0.697 18.380 19.000 0.130 0.000 0.800 158 A HN 0.584 nan 8.150 nan 0.000 0.453 159 I N -5.324 115.254 120.570 0.013 0.000 3.956 159 I HA 0.491 4.662 4.170 0.001 0.000 0.333 159 I C 1.107 177.222 176.117 -0.003 0.000 1.302 159 I CA 0.501 61.806 61.300 0.009 0.000 1.122 159 I CB -0.095 37.913 38.000 0.014 0.000 1.013 159 I HN 0.302 nan 8.210 nan 0.000 0.405 160 G N 1.801 110.591 108.800 -0.017 0.000 2.132 160 G HA2 -0.208 3.752 3.960 0.001 0.000 0.234 160 G HA3 -0.208 3.752 3.960 0.001 0.000 0.234 160 G C 0.435 175.307 174.900 -0.046 0.000 0.989 160 G CA -0.036 45.046 45.100 -0.031 0.000 0.676 160 G HN 0.907 nan 8.290 nan 0.000 0.522 161 A N -0.460 122.331 122.820 -0.048 0.000 2.483 161 A HA 0.605 4.926 4.320 0.001 0.000 0.238 161 A C 1.032 178.540 177.584 -0.128 0.000 1.070 161 A CA 1.347 53.350 52.037 -0.057 0.000 0.770 161 A CB 0.368 19.337 19.000 -0.052 0.000 1.008 161 A HN 0.551 nan 8.150 nan 0.000 0.497 162 E N -0.134 119.958 120.200 -0.181 0.000 2.372 162 E HA 0.166 4.517 4.350 0.001 0.000 0.201 162 E C -0.961 175.195 176.600 -0.739 0.000 0.938 162 E CA 0.326 56.452 56.400 -0.456 0.000 0.944 162 E CB 0.275 29.659 29.700 -0.527 0.000 0.937 162 E HN 0.758 nan 8.360 nan 0.000 0.495 163 Y N -0.660 119.510 120.300 -0.216 0.000 2.545 163 Y HA 0.450 5.001 4.550 0.001 0.000 0.348 163 Y C -0.609 175.186 175.900 -0.174 0.000 1.002 163 Y CA -1.414 56.511 58.100 -0.292 0.000 1.039 163 Y CB 1.940 40.165 38.460 -0.391 0.000 1.271 163 Y HN -0.278 nan 8.280 nan 0.000 0.467 164 V N -0.734 119.178 119.914 -0.004 0.000 2.686 164 V HA 1.026 5.147 4.120 0.001 0.000 0.306 164 V C -0.438 175.507 176.094 -0.248 0.000 1.065 164 V CA -0.741 61.467 62.300 -0.155 0.000 0.894 164 V CB 1.375 33.045 31.823 -0.256 0.000 1.004 164 V HN 0.982 nan 8.190 nan 0.000 0.424 165 G N 2.929 111.526 108.800 -0.338 0.000 2.452 165 G HA2 0.739 4.699 3.960 0.001 0.000 0.324 165 G HA3 0.739 4.699 3.960 0.001 0.000 0.324 165 G C -1.488 173.130 174.900 -0.470 0.000 1.214 165 G CA -0.677 44.165 45.100 -0.429 0.000 0.947 165 G HN 0.563 nan 8.290 nan 0.000 0.478 166 F N 0.919 120.755 119.950 -0.191 0.000 2.421 166 F HA 0.638 5.165 4.527 0.001 0.000 0.337 166 F C 0.296 176.197 175.800 0.169 0.000 1.105 166 F CA -0.636 57.341 58.000 -0.038 0.000 1.049 166 F CB 2.483 41.384 39.000 -0.165 0.000 1.139 166 F HN 0.203 nan 8.300 nan 0.000 0.479 167 V N 2.607 122.718 119.914 0.327 0.000 2.841 167 V HA 0.290 4.410 4.120 0.001 0.000 0.310 167 V C -0.953 175.290 176.094 0.249 0.000 1.090 167 V CA -0.970 61.523 62.300 0.322 0.000 0.930 167 V CB 2.394 34.385 31.823 0.281 0.000 1.014 167 V HN 0.603 nan 8.190 nan 0.000 0.425 168 D N 2.733 123.278 120.400 0.242 0.000 2.225 168 D HA 0.412 5.053 4.640 0.001 0.000 0.248 168 D C 0.648 177.011 176.300 0.106 0.000 1.096 168 D CA -0.012 54.090 54.000 0.170 0.000 0.863 168 D CB 2.306 43.214 40.800 0.180 0.000 1.156 168 D HN 0.669 nan 8.370 nan 0.000 0.450 169 A N 2.476 125.331 122.820 0.059 0.000 2.239 169 A HA -0.106 4.214 4.320 0.001 0.000 0.209 169 A C 0.906 178.459 177.584 -0.052 0.000 1.171 169 A CA 0.518 52.557 52.037 0.003 0.000 0.768 169 A CB -0.032 18.966 19.000 -0.003 0.000 0.790 169 A HN 0.505 nan 8.150 nan 0.000 0.478 170 D N -0.872 119.495 120.400 -0.054 0.000 2.615 170 D HA 0.027 4.667 4.640 0.001 0.000 0.236 170 D C -0.293 175.855 176.300 -0.253 0.000 1.233 170 D CA -0.523 53.383 54.000 -0.156 0.000 0.829 170 D CB -0.563 40.160 40.800 -0.128 0.000 1.024 170 D HN 0.104 nan 8.370 nan 0.000 0.490 171 N N 0.535 119.141 118.700 -0.156 0.000 2.530 171 N HA -0.023 4.718 4.740 0.001 0.000 0.273 171 N C -0.043 175.364 175.510 -0.172 0.000 1.173 171 N CA -0.176 52.783 53.050 -0.152 0.000 0.967 171 N CB 0.685 39.157 38.487 -0.025 0.000 1.109 171 N HN 0.040 nan 8.380 nan 0.000 0.453 172 Y N 1.713 122.040 120.300 0.045 0.000 2.523 172 Y HA 0.267 4.817 4.550 0.001 0.000 0.279 172 Y C 0.547 176.464 175.900 0.028 0.000 1.139 172 Y CA 0.343 58.469 58.100 0.043 0.000 1.296 172 Y CB 0.308 38.800 38.460 0.054 0.000 1.045 172 Y HN 0.390 nan 8.280 nan 0.000 0.538 173 I N 1.308 121.965 120.570 0.146 0.000 2.460 173 I HA 0.196 4.366 4.170 0.001 0.000 0.277 173 I C -1.895 174.213 176.117 -0.015 0.000 1.057 173 I CA -1.841 59.505 61.300 0.075 0.000 1.179 173 I CB 1.624 39.682 38.000 0.098 0.000 1.329 173 I HN -0.132 nan 8.210 nan 0.000 0.478 174 P HA -0.195 nan 4.420 nan 0.000 0.216 174 P C 1.761 179.009 177.300 -0.087 0.000 1.154 174 P CA 1.374 64.448 63.100 -0.043 0.000 0.865 174 P CB 0.250 31.945 31.700 -0.008 0.000 0.789 175 G N -0.246 108.515 108.800 -0.065 0.000 2.450 175 G HA2 -0.277 3.683 3.960 0.001 0.000 0.220 175 G HA3 -0.277 3.683 3.960 0.001 0.000 0.220 175 G C 1.618 176.413 174.900 -0.176 0.000 1.130 175 G CA 0.934 45.984 45.100 -0.083 0.000 0.760 175 G HN 0.355 nan 8.290 nan 0.000 0.557 176 A N 0.007 122.683 122.820 -0.240 0.000 1.930 176 A HA 0.121 4.441 4.320 0.001 0.000 0.217 176 A C 2.575 179.515 177.584 -1.073 0.000 1.175 176 A CA 1.644 53.383 52.037 -0.497 0.000 0.627 176 A CB -0.492 18.292 19.000 -0.360 0.000 0.815 176 A HN 0.248 nan 8.150 nan 0.000 0.443 177 V N 1.166 120.655 119.914 -0.708 0.000 2.427 177 V HA -0.240 3.880 4.120 0.001 0.000 0.248 177 V C 2.477 178.365 176.094 -0.342 0.000 1.051 177 V CA 2.022 63.988 62.300 -0.556 0.000 1.048 177 V CB -0.876 30.841 31.823 -0.177 0.000 0.666 177 V HN 0.754 nan 8.190 nan 0.000 0.456 178 N N 0.056 118.610 118.700 -0.243 0.000 2.223 178 N HA -0.225 4.516 4.740 0.001 0.000 0.185 178 N C 1.959 177.373 175.510 -0.159 0.000 1.016 178 N CA 1.606 54.572 53.050 -0.140 0.000 0.863 178 N CB 0.071 38.510 38.487 -0.080 0.000 0.983 178 N HN 0.649 nan 8.380 nan 0.000 0.429 179 E N -0.837 119.231 120.200 -0.220 0.000 2.158 179 E HA -0.132 4.219 4.350 0.001 0.000 0.191 179 E C 1.319 177.857 176.600 -0.104 0.000 0.982 179 E CA 0.444 56.761 56.400 -0.139 0.000 0.823 179 E CB 0.027 29.672 29.700 -0.093 0.000 0.766 179 E HN 0.356 nan 8.360 nan 0.000 0.468 180 Y N 0.440 120.600 120.300 -0.234 0.000 2.145 180 Y HA -0.193 4.358 4.550 0.001 0.000 0.286 180 Y C 2.509 177.858 175.900 -0.919 0.000 1.145 180 Y CA 0.556 58.348 58.100 -0.513 0.000 1.148 180 Y CB -1.152 37.063 38.460 -0.409 0.000 0.981 180 Y HN -0.077 nan 8.280 nan 0.000 0.507 181 V N 0.486 120.187 119.914 -0.355 0.000 2.287 181 V HA -0.310 3.810 4.120 0.001 0.000 0.248 181 V C 2.201 178.201 176.094 -0.156 0.000 1.053 181 V CA 2.127 64.317 62.300 -0.183 0.000 1.027 181 V CB -0.627 31.182 31.823 -0.023 0.000 0.646 181 V HN 0.376 nan 8.190 nan 0.000 0.447 182 K N -0.287 120.007 120.400 -0.176 0.000 2.148 182 K HA -0.155 4.166 4.320 0.001 0.000 0.204 182 K C 1.809 178.322 176.600 -0.146 0.000 1.050 182 K CA 1.499 57.688 56.287 -0.162 0.000 0.942 182 K CB -0.272 32.140 32.500 -0.147 0.000 0.724 182 K HN 0.439 nan 8.250 nan 0.000 0.446 183 D N -0.049 120.246 120.400 -0.176 0.000 2.224 183 D HA -0.113 4.528 4.640 0.001 0.000 0.205 183 D C 1.684 177.900 176.300 -0.140 0.000 0.965 183 D CA 0.982 54.893 54.000 -0.149 0.000 0.852 183 D CB -0.092 40.640 40.800 -0.114 0.000 0.947 183 D HN 0.155 nan 8.370 nan 0.000 0.494 184 Y N 1.397 121.607 120.300 -0.150 0.000 2.133 184 Y HA -0.038 4.512 4.550 0.001 0.000 0.287 184 Y C 2.537 178.167 175.900 -0.449 0.000 1.134 184 Y CA 0.406 58.316 58.100 -0.317 0.000 1.133 184 Y CB -1.226 37.155 38.460 -0.132 0.000 0.987 184 Y HN -0.083 nan 8.280 nan 0.000 0.502 185 A N 0.298 123.100 122.820 -0.029 0.000 1.892 185 A HA -0.203 4.117 4.320 0.001 0.000 0.218 185 A C 2.531 180.028 177.584 -0.144 0.000 1.188 185 A CA 2.424 54.428 52.037 -0.055 0.000 0.631 185 A CB -1.307 17.639 19.000 -0.090 0.000 0.822 185 A HN 0.414 nan 8.150 nan 0.000 0.447 186 A N -0.667 122.047 122.820 -0.176 0.000 1.933 186 A HA 0.112 4.432 4.320 0.001 0.000 0.218 186 A C 2.424 179.798 177.584 -0.350 0.000 1.175 186 A CA 2.004 53.917 52.037 -0.205 0.000 0.628 186 A CB -1.390 17.511 19.000 -0.164 0.000 0.814 186 A HN 0.767 nan 8.150 nan 0.000 0.444 187 G N -1.031 107.498 108.800 -0.452 0.000 2.421 187 G HA2 -0.137 3.824 3.960 0.001 0.000 0.216 187 G HA3 -0.137 3.824 3.960 0.001 0.000 0.216 187 G C 1.299 175.755 174.900 -0.741 0.000 1.171 187 G CA 1.126 45.785 45.100 -0.736 0.000 0.775 187 G HN 0.399 nan 8.290 nan 0.000 0.543 188 F N 0.937 120.723 119.950 -0.274 0.000 2.134 188 F HA 0.194 4.722 4.527 0.001 0.000 0.299 188 F C 1.853 177.543 175.800 -0.184 0.000 1.097 188 F CA -0.189 57.706 58.000 -0.174 0.000 1.264 188 F CB -0.870 37.996 39.000 -0.222 0.000 1.001 188 F HN -0.023 nan 8.300 nan 0.000 0.479 192 E N 1.052 121.409 120.200 0.261 0.000 2.624 192 E HA 0.281 4.632 4.350 0.001 0.000 0.210 192 E C -0.560 176.126 176.600 0.142 0.000 0.997 192 E CA -0.123 56.377 56.400 0.168 0.000 0.999 192 E CB 1.227 31.015 29.700 0.147 0.000 1.040 192 E HN 0.331 nan 8.360 nan 0.000 0.469 193 S N -0.089 115.708 115.700 0.162 0.000 2.541 193 S HA 0.188 4.659 4.470 0.001 0.000 0.280 193 S C 0.318 174.953 174.600 0.059 0.000 1.112 193 S CA -0.591 57.680 58.200 0.118 0.000 0.925 193 S CB 1.568 64.852 63.200 0.141 0.000 1.067 193 S HN 0.083 nan 8.310 nan 0.000 0.479 194 E N 1.735 121.886 120.200 -0.081 0.000 2.478 194 E HA -0.030 4.320 4.350 0.001 0.000 0.198 194 E C -0.740 175.590 176.600 -0.449 0.000 1.046 194 E CA 0.772 56.996 56.400 -0.293 0.000 0.870 194 E CB 0.071 29.502 29.700 -0.449 0.000 0.818 194 E HN 0.600 nan 8.360 nan 0.000 0.527 195 Y N 0.274 120.566 120.300 -0.014 0.000 2.854 195 Y HA 0.259 4.809 4.550 0.001 0.000 0.330 195 Y C 0.094 176.005 175.900 0.018 0.000 1.037 195 Y CA -0.372 57.697 58.100 -0.052 0.000 1.263 195 Y CB 0.959 39.325 38.460 -0.156 0.000 1.120 195 Y HN -0.222 nan 8.280 nan 0.000 0.532 199 R N 4.224 124.783 120.500 0.097 0.000 2.480 199 R HA 0.776 5.116 4.340 0.001 0.000 0.306 199 R C -1.045 175.269 176.300 0.023 0.000 0.958 199 R CA -0.716 55.431 56.100 0.078 0.000 0.861 199 R CB 2.282 32.580 30.300 -0.003 0.000 1.171 199 R HN 0.578 nan 8.270 nan 0.000 0.445 200 L N 2.710 123.932 121.223 -0.001 0.000 2.418 200 L HA 0.417 4.757 4.340 0.001 0.000 0.265 200 L C 0.306 176.953 176.870 -0.371 0.000 1.143 200 L CA -0.375 54.395 54.840 -0.117 0.000 0.809 200 L CB 0.732 42.718 42.059 -0.122 0.000 1.124 200 L HN 0.563 nan 8.230 nan 0.000 0.456 201 H N 1.342 120.127 119.070 -0.475 0.000 2.930 201 H HA 0.394 4.951 4.556 0.001 0.000 0.371 201 H C -1.726 173.322 175.328 -0.466 0.000 1.169 201 H CA -0.637 54.971 56.048 -0.734 0.000 1.157 201 H CB 2.330 31.844 29.762 -0.414 0.000 1.789 201 H HN 0.659 nan 8.280 nan 0.000 0.547 222 S N -0.116 115.631 115.700 0.078 0.000 2.399 222 S HA -0.161 4.309 4.470 0.001 0.000 0.231 222 S C 1.470 176.109 174.600 0.064 0.000 1.022 222 S CA 2.293 60.536 58.200 0.072 0.000 0.983 222 S CB -0.344 62.904 63.200 0.080 0.000 0.803 222 S HN 0.760 nan 8.310 nan 0.000 0.480 223 E N 0.328 120.567 120.200 0.066 0.000 2.158 223 E HA 0.021 4.371 4.350 0.001 0.000 0.191 223 E C 1.934 178.580 176.600 0.076 0.000 0.982 223 E CA 1.046 57.478 56.400 0.055 0.000 0.823 223 E CB -0.143 29.580 29.700 0.037 0.000 0.766 223 E HN 0.596 nan 8.360 nan 0.000 0.468 224 I N 1.064 121.693 120.570 0.097 0.000 2.353 224 I HA -0.192 3.979 4.170 0.001 0.000 0.248 224 I C 2.214 178.491 176.117 0.268 0.000 1.119 224 I CA 0.996 62.401 61.300 0.175 0.000 1.417 224 I CB -0.366 37.748 38.000 0.189 0.000 1.078 224 I HN 0.054 nan 8.210 nan 0.000 0.421 225 T N 0.635 115.294 114.554 0.175 0.000 2.777 225 T HA -0.087 4.264 4.350 0.001 0.000 0.266 225 T C 1.761 176.525 174.700 0.106 0.000 1.040 225 T CA 1.176 63.367 62.100 0.152 0.000 1.141 225 T CB -0.262 68.658 68.868 0.086 0.000 0.868 225 T HN 0.286 nan 8.240 nan 0.000 0.444 226 N N 0.702 119.440 118.700 0.063 0.000 2.188 226 N HA -0.109 4.631 4.740 0.001 0.000 0.184 226 N C 1.709 177.223 175.510 0.006 0.000 1.018 226 N CA 0.871 53.927 53.050 0.009 0.000 0.858 226 N CB -0.546 37.933 38.487 -0.013 0.000 0.989 226 N HN 0.576 nan 8.380 nan 0.000 0.426 227 H N -0.193 118.830 119.070 -0.078 0.000 2.290 227 H HA -0.158 4.399 4.556 0.001 0.000 0.298 227 H C 1.298 176.482 175.328 -0.241 0.000 1.087 227 H CA 1.674 57.602 56.048 -0.201 0.000 1.291 227 H CB -0.012 29.553 29.762 -0.328 0.000 1.369 227 H HN 0.224 nan 8.280 nan 0.000 0.492 228 Y N 0.522 120.740 120.300 -0.137 0.000 2.395 228 Y HA -0.066 4.485 4.550 0.001 0.000 0.293 228 Y C 2.844 178.656 175.900 -0.147 0.000 1.123 228 Y CA 0.454 58.446 58.100 -0.181 0.000 1.227 228 Y CB -0.184 38.251 38.460 -0.041 0.000 1.012 228 Y HN 0.132 nan 8.280 nan 0.000 0.552 229 L N -0.292 120.942 121.223 0.018 0.000 2.017 229 L HA -0.246 4.094 4.340 0.001 0.000 0.208 229 L C 2.087 178.878 176.870 -0.132 0.000 1.073 229 L CA 1.231 56.036 54.840 -0.057 0.000 0.745 229 L CB -0.497 41.519 42.059 -0.072 0.000 0.894 229 L HN 0.267 nan 8.230 nan 0.000 0.432 230 N N 0.022 118.637 118.700 -0.142 0.000 2.166 230 N HA -0.173 4.567 4.740 0.001 0.000 0.186 230 N C 1.818 177.232 175.510 -0.160 0.000 1.019 230 N CA 1.084 54.043 53.050 -0.151 0.000 0.856 230 N CB -0.218 38.203 38.487 -0.110 0.000 0.993 230 N HN 0.147 nan 8.380 nan 0.000 0.426 231 L N 1.464 122.568 121.223 -0.200 0.000 2.131 231 L HA -0.053 4.287 4.340 0.001 0.000 0.210 231 L C 2.102 178.913 176.870 -0.098 0.000 1.092 231 L CA 0.966 55.699 54.840 -0.179 0.000 0.759 231 L CB -0.930 40.963 42.059 -0.277 0.000 0.903 231 L HN 0.097 nan 8.230 nan 0.000 0.435 232 L N -1.594 119.579 121.223 -0.084 0.000 2.187 232 L HA -0.169 4.172 4.340 0.001 0.000 0.213 232 L C 2.053 178.846 176.870 -0.128 0.000 1.100 232 L CA 1.782 56.584 54.840 -0.064 0.000 0.765 232 L CB -0.408 41.606 42.059 -0.074 0.000 0.904 232 L HN 0.117 nan 8.230 nan 0.000 0.437 233 V N -1.349 118.430 119.914 -0.224 0.000 2.672 233 V HA -0.064 4.057 4.120 0.001 0.000 0.242 233 V C 2.513 178.435 176.094 -0.286 0.000 1.059 233 V CA 1.061 63.142 62.300 -0.365 0.000 1.081 233 V CB -0.356 31.231 31.823 -0.394 0.000 0.752 233 V HN 0.637 nan 8.190 nan 0.000 0.472 234 S N 0.507 116.130 115.700 -0.127 0.000 2.462 234 S HA -0.230 4.240 4.470 0.001 0.000 0.243 234 S C 1.427 176.001 174.600 -0.043 0.000 1.003 234 S CA 1.605 59.780 58.200 -0.041 0.000 0.970 234 S CB -0.531 62.650 63.200 -0.032 0.000 0.762 234 S HN 0.722 nan 8.310 nan 0.000 0.510 235 E N 0.544 120.703 120.200 -0.069 0.000 2.403 235 E HA 0.041 4.391 4.350 0.001 0.000 0.187 235 E C 0.268 176.955 176.600 0.144 0.000 1.073 235 E CA 0.322 56.739 56.400 0.029 0.000 0.888 235 E CB 0.038 29.772 29.700 0.057 0.000 1.035 235 E HN 1.084 nan 8.360 nan 0.000 0.471 236 H N -4.777 114.329 119.070 0.061 0.000 3.538 236 H HA 0.118 4.675 4.556 0.001 0.000 0.264 236 H C 1.168 176.565 175.328 0.115 0.000 1.146 236 H CA 0.364 56.455 56.048 0.071 0.000 1.097 236 H CB -0.243 29.549 29.762 0.050 0.000 2.087 236 H HN 0.027 nan 8.280 nan 0.000 0.797 237 T N -3.512 111.104 114.554 0.103 0.000 3.038 237 T HA 0.590 4.941 4.350 0.001 0.000 0.244 237 T C 1.776 176.674 174.700 0.331 0.000 1.016 237 T CA 0.812 63.023 62.100 0.184 0.000 1.098 237 T CB 0.368 69.332 68.868 0.160 0.000 0.954 237 T HN 0.926 nan 8.240 nan 0.000 0.469 238 A N 0.606 123.556 122.820 0.217 0.000 3.595 238 A HA -0.039 4.282 4.320 0.001 0.000 0.236 238 A C 0.117 177.655 177.584 -0.078 0.000 1.044 238 A CA 0.297 52.376 52.037 0.070 0.000 1.645 238 A CB -2.477 16.540 19.000 0.028 0.000 0.926 238 A HN 0.561 nan 8.150 nan 0.000 0.816 239 F N 1.496 121.449 119.950 0.005 0.000 2.411 239 F HA 0.513 5.041 4.527 0.001 0.000 0.352 239 F C 0.585 176.388 175.800 0.006 0.000 1.123 239 F CA -0.081 57.923 58.000 0.008 0.000 1.044 239 F CB 1.197 40.206 39.000 0.014 0.000 1.135 239 F HN 0.367 nan 8.300 nan 0.000 0.461 240 E N 2.485 122.752 120.200 0.111 0.000 2.465 240 E HA 0.081 4.432 4.350 0.001 0.000 0.260 240 E C -0.529 176.128 176.600 0.095 0.000 0.980 240 E CA 0.169 56.607 56.400 0.063 0.000 0.927 240 E CB 0.802 30.516 29.700 0.024 0.000 0.934 240 E HN 0.619 nan 8.360 nan 0.000 0.459 241 T N 2.117 116.712 114.554 0.068 0.000 2.926 241 T HA 0.332 4.682 4.350 0.001 0.000 0.289 241 T C 0.240 174.965 174.700 0.041 0.000 1.054 241 T CA -0.047 62.105 62.100 0.086 0.000 1.015 241 T CB 1.794 70.744 68.868 0.138 0.000 1.167 241 T HN 0.570 nan 8.240 nan 0.000 0.526 242 T N 1.814 116.399 114.554 0.052 0.000 3.009 242 T HA 0.276 4.627 4.350 0.001 0.000 0.267 242 T C 0.948 175.658 174.700 0.016 0.000 0.942 242 T CA -0.196 61.915 62.100 0.019 0.000 0.883 242 T CB -0.310 68.564 68.868 0.010 0.000 1.192 242 T HN 0.500 nan 8.240 nan 0.000 0.524 246 T N -2.604 111.811 114.554 -0.231 0.000 3.448 246 T HA 0.472 4.822 4.350 0.001 0.000 0.271 246 T C 1.398 176.013 174.700 -0.141 0.000 1.002 246 T CA 0.609 62.597 62.100 -0.187 0.000 0.995 246 T CB 0.246 69.005 68.868 -0.181 0.000 1.153 246 T HN 0.744 nan 8.240 nan 0.000 0.510 247 G N 1.828 110.566 108.800 -0.105 0.000 2.471 247 G HA2 -0.076 3.885 3.960 0.001 0.000 0.219 247 G HA3 -0.076 3.885 3.960 0.001 0.000 0.219 247 G C 1.141 176.007 174.900 -0.056 0.000 1.125 247 G CA 0.104 45.158 45.100 -0.076 0.000 0.775 247 G HN 0.562 nan 8.290 nan 0.000 0.548 248 N N 0.443 119.115 118.700 -0.046 0.000 2.291 248 N HA 0.210 4.951 4.740 0.001 0.000 0.244 248 N C 0.389 175.882 175.510 -0.028 0.000 1.216 248 N CA -0.083 52.965 53.050 -0.003 0.000 0.879 248 N CB 1.147 39.665 38.487 0.052 0.000 1.167 248 N HN 0.193 nan 8.380 nan 0.000 0.515 249 A N 0.653 123.405 122.820 -0.113 0.000 2.639 249 A HA 0.352 4.673 4.320 0.001 0.000 0.295 249 A C 1.590 179.144 177.584 -0.050 0.000 1.443 249 A CA 0.082 52.033 52.037 -0.143 0.000 1.117 249 A CB -0.532 18.356 19.000 -0.187 0.000 1.098 249 A HN 0.316 nan 8.150 nan 0.000 0.552 250 G N 1.394 110.241 108.800 0.079 0.000 2.422 250 G HA2 -0.077 3.884 3.960 0.001 0.000 0.218 250 G HA3 -0.077 3.884 3.960 0.001 0.000 0.218 250 G C 0.457 175.565 174.900 0.345 0.000 1.146 250 G CA 0.272 45.485 45.100 0.188 0.000 0.769 250 G HN 0.678 nan 8.290 nan 0.000 0.547 251 E N 1.503 121.850 120.200 0.245 0.000 2.003 251 E HA 0.311 4.662 4.350 0.001 0.000 0.279 251 E C -0.234 176.602 176.600 0.393 0.000 1.132 251 E CA -0.083 56.480 56.400 0.272 0.000 0.888 251 E CB 0.061 29.701 29.700 -0.101 0.000 1.056 251 E HN 0.866 nan 8.360 nan 0.000 0.399 252 H N -0.003 119.188 119.070 0.201 0.000 2.990 252 H HA 0.859 5.416 4.556 0.001 0.000 0.343 252 H C -1.238 173.920 175.328 -0.284 0.000 1.270 252 H CA -1.183 54.881 56.048 0.028 0.000 1.118 252 H CB 1.475 31.265 29.762 0.047 0.000 1.861 252 H HN 0.403 nan 8.280 nan 0.000 0.544 258 L N 1.791 123.104 121.223 0.151 0.000 2.127 258 L HA 0.250 4.591 4.340 0.001 0.000 0.203 258 L C 2.055 179.003 176.870 0.131 0.000 1.080 258 L CA 2.140 57.103 54.840 0.206 0.000 0.768 258 L CB -0.365 41.798 42.059 0.174 0.000 0.924 258 L HN 0.189 nan 8.230 nan 0.000 0.444 259 A N 0.316 123.227 122.820 0.150 0.000 1.908 259 A HA -0.254 4.067 4.320 0.001 0.000 0.218 259 A C 2.142 179.874 177.584 0.247 0.000 1.181 259 A CA 1.733 53.922 52.037 0.254 0.000 0.627 259 A CB -0.847 18.300 19.000 0.245 0.000 0.818 259 A HN 0.741 nan 8.150 nan 0.000 0.445 260 E N 0.424 120.709 120.200 0.141 0.000 2.409 260 E HA -0.084 4.266 4.350 0.001 0.000 0.198 260 E C 1.429 178.107 176.600 0.131 0.000 1.024 260 E CA 1.206 57.673 56.400 0.112 0.000 0.861 260 E CB -0.476 29.258 29.700 0.057 0.000 0.788 260 E HN 0.829 nan 8.360 nan 0.000 0.521 261 I N -1.682 118.960 120.570 0.120 0.000 3.974 261 I HA 0.304 4.475 4.170 0.001 0.000 0.334 261 I C -0.095 176.021 176.117 -0.001 0.000 1.437 261 I CA -0.620 60.743 61.300 0.104 0.000 1.113 261 I CB 0.250 38.293 38.000 0.072 0.000 1.063 261 I HN -0.097 nan 8.210 nan 0.000 0.400 262 L N 4.449 125.653 121.223 -0.032 0.000 2.295 262 L HA 0.564 4.904 4.340 0.001 0.000 0.285 262 L C -2.274 174.409 176.870 -0.312 0.000 1.035 262 L CA -1.884 52.784 54.840 -0.287 0.000 0.806 262 L CB 1.488 43.288 42.059 -0.431 0.000 1.214 262 L HN -0.057 nan 8.230 nan 0.000 0.426 263 P HA 0.200 nan 4.420 nan 0.000 0.275 263 P C -1.188 175.978 177.300 -0.224 0.000 1.227 263 P CA -0.070 62.895 63.100 -0.224 0.000 0.781 263 P CB 0.811 32.332 31.700 -0.297 0.000 0.906 264 F N 0.448 120.383 119.950 -0.026 0.000 2.522 264 F HA 0.399 4.926 4.527 0.001 0.000 0.324 264 F C 1.352 177.083 175.800 -0.115 0.000 1.077 264 F CA -0.121 57.872 58.000 -0.012 0.000 0.944 264 F CB 2.152 41.139 39.000 -0.022 0.000 1.175 264 F HN 0.258 nan 8.300 nan 0.000 0.468 265 S N 0.589 116.312 115.700 0.038 0.000 2.561 265 S HA 0.736 5.206 4.470 0.001 0.000 0.282 265 S C -0.376 174.216 174.600 -0.014 0.000 1.123 265 S CA -0.085 58.037 58.200 -0.130 0.000 1.011 265 S CB 1.592 64.626 63.200 -0.277 0.000 1.244 265 S HN 0.751 nan 8.310 nan 0.000 0.503 266 T N -1.820 112.701 114.554 -0.056 0.000 2.681 266 T HA 0.603 4.954 4.350 0.001 0.000 0.296 266 T C 0.430 175.079 174.700 -0.086 0.000 1.157 266 T CA 0.667 62.731 62.100 -0.060 0.000 1.025 266 T CB 0.448 69.271 68.868 -0.076 0.000 1.441 266 T HN 1.707 nan 8.240 nan 0.000 0.504 267 G N 0.819 109.531 108.800 -0.147 0.000 2.594 267 G HA2 -0.302 3.659 3.960 0.001 0.000 0.297 267 G HA3 -0.302 3.659 3.960 0.001 0.000 0.297 267 G C 0.271 175.005 174.900 -0.276 0.000 1.273 267 G CA 1.113 46.052 45.100 -0.269 0.000 0.974 267 G HN 0.810 nan 8.290 nan 0.000 0.552 268 Y N 1.640 121.933 120.300 -0.013 0.000 2.583 268 Y HA 0.216 4.766 4.550 0.001 0.000 0.293 268 Y C 3.079 178.990 175.900 0.019 0.000 1.157 268 Y CA 1.323 59.426 58.100 0.006 0.000 1.315 268 Y CB 0.154 38.617 38.460 0.005 0.000 1.021 268 Y HN 0.300 nan 8.280 nan 0.000 0.536 269 S N -0.494 115.276 115.700 0.116 0.000 2.496 269 S HA -0.030 4.441 4.470 0.001 0.000 0.224 269 S C 1.989 176.655 174.600 0.110 0.000 0.996 269 S CA 0.312 58.574 58.200 0.104 0.000 0.927 269 S CB -0.194 63.033 63.200 0.046 0.000 0.774 269 S HN 0.385 nan 8.310 nan 0.000 0.524 270 I N 2.037 122.651 120.570 0.072 0.000 2.068 270 I HA -0.317 3.853 4.170 0.001 0.000 0.238 270 I C 2.512 178.658 176.117 0.048 0.000 1.046 270 I CA 1.596 62.947 61.300 0.085 0.000 1.306 270 I CB -0.444 37.589 38.000 0.054 0.000 1.023 270 I HN 0.211 nan 8.210 nan 0.000 0.399 271 E N 0.586 120.775 120.200 -0.018 0.000 2.031 271 E HA -0.173 4.178 4.350 0.001 0.000 0.193 271 E C -0.513 176.042 176.600 -0.075 0.000 0.994 271 E CA 1.613 57.938 56.400 -0.124 0.000 0.800 271 E CB -1.762 27.861 29.700 -0.128 0.000 0.752 271 E HN 0.497 nan 8.360 nan 0.000 0.447 272 P HA -0.197 nan 4.420 nan 0.000 0.217 272 P C 1.233 178.535 177.300 0.004 0.000 1.150 272 P CA 1.235 64.337 63.100 0.002 0.000 0.832 272 P CB -0.074 31.657 31.700 0.052 0.000 0.787 273 Y N 1.906 122.183 120.300 -0.039 0.000 2.274 273 Y HA -0.162 4.389 4.550 0.001 0.000 0.290 273 Y C 2.277 178.144 175.900 -0.055 0.000 1.145 273 Y CA 1.556 59.636 58.100 -0.033 0.000 1.203 273 Y CB -0.702 37.738 38.460 -0.034 0.000 0.984 273 Y HN -0.019 nan 8.280 nan 0.000 0.533 274 E N -0.404 119.694 120.200 -0.170 0.000 2.085 274 E HA -0.219 4.131 4.350 0.001 0.000 0.194 274 E C 2.032 178.485 176.600 -0.246 0.000 0.994 274 E CA 1.400 57.652 56.400 -0.248 0.000 0.801 274 E CB -0.133 29.453 29.700 -0.190 0.000 0.743 274 E HN 0.390 nan 8.360 nan 0.000 0.453 275 I N 0.731 121.173 120.570 -0.212 0.000 2.163 275 I HA -0.195 3.976 4.170 0.001 0.000 0.240 275 I C 2.469 178.440 176.117 -0.244 0.000 1.081 275 I CA 0.938 62.115 61.300 -0.205 0.000 1.353 275 I CB -1.140 36.756 38.000 -0.173 0.000 1.054 275 I HN 0.007 nan 8.210 nan 0.000 0.407 276 V N 0.568 120.328 119.914 -0.257 0.000 2.287 276 V HA -0.335 3.786 4.120 0.001 0.000 0.248 276 V C 2.458 178.351 176.094 -0.336 0.000 1.053 276 V CA 2.088 64.234 62.300 -0.256 0.000 1.027 276 V CB -0.984 30.728 31.823 -0.185 0.000 0.646 276 V HN 0.376 nan 8.190 nan 0.000 0.447 277 Y N 0.382 120.306 120.300 -0.626 0.000 2.163 277 Y HA -0.192 4.358 4.550 0.001 0.000 0.288 277 Y C 2.302 178.038 175.900 -0.274 0.000 1.136 277 Y CA 1.656 59.440 58.100 -0.525 0.000 1.147 277 Y CB -0.221 37.799 38.460 -0.733 0.000 0.987 277 Y HN 0.158 nan 8.280 nan 0.000 0.509 278 I N -0.140 120.264 120.570 -0.276 0.000 2.208 278 I HA -0.357 3.814 4.170 0.001 0.000 0.245 278 I C 2.212 178.203 176.117 -0.210 0.000 1.097 278 I CA 1.516 62.693 61.300 -0.205 0.000 1.363 278 I CB -0.461 37.434 38.000 -0.175 0.000 1.051 278 I HN 0.306 nan 8.210 nan 0.000 0.413 279 L N 0.033 121.104 121.223 -0.253 0.000 2.072 279 L HA -0.155 4.186 4.340 0.001 0.000 0.205 279 L C 2.485 179.225 176.870 -0.217 0.000 1.079 279 L CA 1.227 55.936 54.840 -0.218 0.000 0.752 279 L CB -0.652 41.256 42.059 -0.253 0.000 0.906 279 L HN 0.202 nan 8.230 nan 0.000 0.436 280 E N 0.068 120.096 120.200 -0.288 0.000 2.070 280 E HA -0.284 4.066 4.350 0.001 0.000 0.197 280 E C 2.257 178.643 176.600 -0.357 0.000 1.004 280 E CA 1.400 57.627 56.400 -0.288 0.000 0.805 280 E CB -0.038 29.477 29.700 -0.309 0.000 0.744 280 E HN 0.157 nan 8.360 nan 0.000 0.451 281 R N -0.408 119.746 120.500 -0.577 0.000 2.173 281 R HA 0.017 4.357 4.340 0.001 0.000 0.208 281 R C 0.943 176.793 176.300 -0.750 0.000 1.035 281 R CA 0.949 56.631 56.100 -0.697 0.000 1.004 281 R CB 0.139 29.790 30.300 -1.083 0.000 0.917 281 R HN 0.116 nan 8.270 nan 0.000 0.462 282 F N -2.384 117.351 119.950 -0.358 0.000 2.746 282 F HA 0.395 4.923 4.527 0.001 0.000 0.320 282 F C 1.762 177.376 175.800 -0.310 0.000 1.097 282 F CA 0.072 57.856 58.000 -0.361 0.000 1.195 282 F CB 0.625 39.264 39.000 -0.603 0.000 1.056 282 F HN 0.065 nan 8.300 nan 0.000 0.562 283 G N 0.539 109.279 108.800 -0.100 0.000 2.509 283 G HA2 -0.029 3.932 3.960 0.001 0.000 0.218 283 G HA3 -0.029 3.932 3.960 0.001 0.000 0.218 283 G C 0.729 175.573 174.900 -0.093 0.000 1.124 283 G CA 0.513 45.579 45.100 -0.057 0.000 0.776 283 G HN 0.199 nan 8.290 nan 0.000 0.547 284 K N -1.754 118.547 120.400 -0.166 0.000 2.349 284 K HA 0.503 4.824 4.320 0.001 0.000 0.243 284 K C -1.750 174.648 176.600 -0.336 0.000 1.058 284 K CA -1.076 55.123 56.287 -0.146 0.000 0.871 284 K CB 1.376 33.870 32.500 -0.010 0.000 1.337 284 K HN 0.090 nan 8.250 nan 0.000 0.469 285 W N 1.643 122.936 121.300 -0.012 0.000 2.336 285 W HA 0.425 5.085 4.660 0.001 0.000 0.315 285 W C -0.659 175.687 176.519 -0.288 0.000 1.016 285 W CA -0.304 56.926 57.345 -0.193 0.000 1.318 285 W CB 0.786 30.154 29.460 -0.153 0.000 1.247 285 W HN 0.381 nan 8.180 nan 0.000 0.414 286 E N 1.533 121.557 120.200 -0.293 0.000 2.390 286 E HA 0.196 4.546 4.350 0.001 0.000 0.280 286 E C -0.253 176.195 176.600 -0.254 0.000 0.992 286 E CA -1.113 55.169 56.400 -0.197 0.000 0.790 286 E CB 1.570 31.215 29.700 -0.091 0.000 1.248 286 E HN 0.243 nan 8.360 nan 0.000 0.447 287 N N -0.383 118.222 118.700 -0.159 0.000 2.678 287 N HA -0.199 4.542 4.740 0.001 0.000 0.250 287 N C 0.854 176.289 175.510 -0.125 0.000 1.136 287 N CA 1.014 54.001 53.050 -0.105 0.000 0.757 287 N CB -1.656 36.805 38.487 -0.044 0.000 1.135 287 N HN 0.340 nan 8.380 nan 0.000 0.565 288 V N -0.266 119.436 119.914 -0.354 0.000 2.511 288 V HA -0.304 3.816 4.120 0.001 0.000 0.257 288 V C 2.290 178.386 176.094 0.004 0.000 1.088 288 V CA 2.376 64.403 62.300 -0.455 0.000 1.098 288 V CB -0.303 31.268 31.823 -0.420 0.000 0.674 288 V HN 0.368 nan 8.190 nan 0.000 0.470 289 E N 0.214 120.395 120.200 -0.032 0.000 2.106 289 E HA -0.210 4.141 4.350 0.001 0.000 0.192 289 E C 2.223 178.816 176.600 -0.013 0.000 0.984 289 E CA 1.545 57.943 56.400 -0.003 0.000 0.806 289 E CB -0.254 29.426 29.700 -0.033 0.000 0.750 289 E HN 0.737 nan 8.360 nan 0.000 0.458 290 E N -1.395 118.757 120.200 -0.079 0.000 2.077 290 E HA -0.147 4.203 4.350 0.001 0.000 0.193 290 E C -0.242 176.108 176.600 -0.417 0.000 0.989 290 E CA 0.819 57.041 56.400 -0.297 0.000 0.800 290 E CB 0.015 29.461 29.700 -0.424 0.000 0.746 290 E HN 0.174 nan 8.360 nan 0.000 0.452 291 F N 0.381 120.460 119.950 0.215 0.000 2.523 291 F HA 0.283 4.810 4.527 0.001 0.000 0.322 291 F C 0.746 176.742 175.800 0.328 0.000 1.361 291 F CA -0.744 57.393 58.000 0.229 0.000 1.151 291 F CB 0.983 40.116 39.000 0.221 0.000 1.391 291 F HN -0.156 nan 8.300 nan 0.000 0.566 292 K N 1.264 121.867 120.400 0.339 0.000 1.977 292 K HA -0.228 4.092 4.320 0.001 0.000 0.218 292 K C 1.873 178.654 176.600 0.302 0.000 1.051 292 K CA 2.257 58.721 56.287 0.295 0.000 0.953 292 K CB -0.369 32.237 32.500 0.178 0.000 0.727 292 K HN 0.333 nan 8.250 nan 0.000 0.445 293 D N -0.705 119.843 120.400 0.246 0.000 2.203 293 D HA -0.139 4.502 4.640 0.001 0.000 0.199 293 D C 1.611 178.036 176.300 0.208 0.000 0.997 293 D CA 1.293 55.444 54.000 0.252 0.000 0.863 293 D CB 0.096 41.074 40.800 0.297 0.000 0.928 293 D HN 0.130 nan 8.370 nan 0.000 0.458 294 V N -0.438 119.458 119.914 -0.029 0.000 2.302 294 V HA -0.146 3.974 4.120 0.001 0.000 0.243 294 V C 2.074 178.045 176.094 -0.205 0.000 1.036 294 V CA 1.217 63.216 62.300 -0.501 0.000 1.020 294 V CB -0.701 30.614 31.823 -0.846 0.000 0.657 294 V HN 0.144 nan 8.190 nan 0.000 0.453 295 F N 0.615 120.641 119.950 0.126 0.000 2.202 295 F HA -0.171 4.356 4.527 0.001 0.000 0.301 295 F C 2.306 178.220 175.800 0.191 0.000 1.082 295 F CA 1.915 60.026 58.000 0.184 0.000 1.313 295 F CB -0.314 38.836 39.000 0.250 0.000 1.024 295 F HN 0.206 nan 8.300 nan 0.000 0.495 296 D N -0.678 119.927 120.400 0.341 0.000 2.183 296 D HA -0.117 4.524 4.640 0.001 0.000 0.205 296 D C 2.062 178.484 176.300 0.203 0.000 0.962 296 D CA 0.831 54.991 54.000 0.267 0.000 0.849 296 D CB -0.002 40.930 40.800 0.220 0.000 0.978 296 D HN 0.298 nan 8.370 nan 0.000 0.488 297 Q N -0.478 119.435 119.800 0.189 0.000 2.302 297 Q HA 0.215 4.556 4.340 0.001 0.000 0.202 297 Q C 0.400 176.479 176.000 0.132 0.000 0.936 297 Q CA 0.682 56.595 55.803 0.183 0.000 0.886 297 Q CB 0.413 29.320 28.738 0.282 0.000 0.986 297 Q HN 0.275 nan 8.270 nan 0.000 0.487 298 G N 0.401 109.235 108.800 0.056 0.000 2.716 298 G HA2 -0.226 3.734 3.960 0.001 0.000 0.686 298 G HA3 -0.226 3.734 3.960 0.001 0.000 0.686 298 G C -0.787 174.054 174.900 -0.098 0.000 1.337 298 G CA -0.514 44.557 45.100 -0.048 0.000 0.829 298 G HN 0.230 nan 8.290 nan 0.000 0.599 299 I N 1.401 121.829 120.570 -0.236 0.000 2.339 299 I HA 0.352 4.522 4.170 0.001 0.000 0.290 299 I C 0.448 176.484 176.117 -0.135 0.000 0.994 299 I CA -0.424 60.741 61.300 -0.226 0.000 1.191 299 I CB 1.534 39.251 38.000 -0.473 0.000 1.343 299 I HN 0.500 nan 8.210 nan 0.000 0.458 300 E N 6.887 127.067 120.200 -0.034 0.000 2.179 300 E HA 0.575 4.925 4.350 0.001 0.000 0.275 300 E C -0.954 175.636 176.600 -0.017 0.000 0.945 300 E CA -0.676 55.689 56.400 -0.058 0.000 0.792 300 E CB 2.715 32.429 29.700 0.024 0.000 1.125 300 E HN 0.446 nan 8.360 nan 0.000 0.397 301 I N 3.670 124.178 120.570 -0.103 0.000 2.411 301 I HA 0.290 4.461 4.170 0.001 0.000 0.284 301 I C -0.887 175.206 176.117 -0.040 0.000 1.012 301 I CA -0.555 60.732 61.300 -0.022 0.000 1.119 301 I CB 0.703 38.669 38.000 -0.056 0.000 1.261 301 I HN 0.355 nan 8.210 nan 0.000 0.448 302 F N 4.244 124.238 119.950 0.074 0.000 2.399 302 F HA 0.439 4.966 4.527 0.001 0.000 0.334 302 F C 0.379 176.172 175.800 -0.011 0.000 1.097 302 F CA -0.310 57.705 58.000 0.026 0.000 1.076 302 F CB 1.374 40.331 39.000 -0.072 0.000 1.162 302 F HN 0.342 nan 8.300 nan 0.000 0.495 303 Q N 3.956 123.865 119.800 0.182 0.000 2.394 303 Q HA 0.477 4.818 4.340 0.001 0.000 0.261 303 Q C -1.101 174.938 176.000 0.065 0.000 1.023 303 Q CA -0.269 55.573 55.803 0.065 0.000 0.720 303 Q CB 2.025 30.754 28.738 -0.015 0.000 1.241 303 Q HN 0.541 nan 8.270 nan 0.000 0.483 304 I N 1.625 122.226 120.570 0.050 0.000 2.359 304 I HA 0.210 4.380 4.170 0.001 0.000 0.294 304 I C 0.219 176.363 176.117 0.046 0.000 0.987 304 I CA -0.505 60.819 61.300 0.040 0.000 1.225 304 I CB 1.454 39.461 38.000 0.011 0.000 1.366 304 I HN 0.498 nan 8.210 nan 0.000 0.466 305 E N 5.852 126.094 120.200 0.070 0.000 2.130 305 E HA 0.180 4.530 4.350 0.001 0.000 0.284 305 E C -0.175 176.479 176.600 0.090 0.000 1.018 305 E CA -0.588 55.867 56.400 0.093 0.000 0.817 305 E CB 0.868 30.645 29.700 0.128 0.000 1.078 305 E HN 0.685 nan 8.360 nan 0.000 0.396 306 T N 1.495 116.124 114.554 0.125 0.000 2.802 306 T HA 0.003 4.354 4.350 0.001 0.000 0.305 306 T C 0.971 175.757 174.700 0.143 0.000 1.053 306 T CA -0.637 61.563 62.100 0.167 0.000 1.058 306 T CB 0.830 69.883 68.868 0.308 0.000 0.988 306 T HN 0.472 nan 8.240 nan 0.000 0.539 307 L N 0.459 121.753 121.223 0.119 0.000 2.307 307 L HA 0.302 4.642 4.340 0.001 0.000 0.211 307 L C 0.810 177.740 176.870 0.101 0.000 1.099 307 L CA 0.866 55.761 54.840 0.091 0.000 0.816 307 L CB -0.406 41.690 42.059 0.062 0.000 0.952 307 L HN 0.591 nan 8.230 nan 0.000 0.455 308 N N 0.020 118.793 118.700 0.121 0.000 2.489 308 N HA 0.340 5.081 4.740 0.001 0.000 0.284 308 N C -2.395 173.193 175.510 0.130 0.000 1.158 308 N CA -1.253 51.865 53.050 0.113 0.000 0.965 308 N CB 0.807 39.340 38.487 0.076 0.000 1.195 308 N HN -0.036 nan 8.380 nan 0.000 0.506 309 P HA 0.176 nan 4.420 nan 0.000 0.278 309 P C -0.723 176.428 177.300 -0.249 0.000 1.266 309 P CA -0.184 62.884 63.100 -0.054 0.000 0.807 309 P CB 0.923 32.639 31.700 0.026 0.000 1.094 310 H N 0.542 119.096 119.070 -0.861 0.000 2.489 310 H HA 0.464 5.021 4.556 0.001 0.000 0.322 310 H C -1.346 173.337 175.328 -1.077 0.000 1.091 310 H CA -0.365 55.043 56.048 -1.067 0.000 1.291 310 H CB 0.304 28.921 29.762 -1.909 0.000 1.436 310 H HN 0.201 nan 8.280 nan 0.000 0.480 311 F N 3.293 122.997 119.950 -0.409 0.000 2.605 311 F HA 0.241 4.768 4.527 0.001 0.000 0.320 311 F C -0.501 175.272 175.800 -0.045 0.000 1.159 311 F CA -0.526 57.478 58.000 0.006 0.000 0.999 311 F CB 1.288 40.388 39.000 0.166 0.000 1.258 311 F HN 0.714 nan 8.300 nan 0.000 0.464 312 H N 0.104 119.085 119.070 -0.149 0.000 2.948 312 H HA 0.914 5.471 4.556 0.001 0.000 0.315 312 H C -1.286 173.849 175.328 -0.321 0.000 1.360 312 H CA -1.204 54.561 56.048 -0.472 0.000 1.125 312 H CB 2.853 32.369 29.762 -0.410 0.000 1.844 312 H HN 0.525 nan 8.280 nan 0.000 0.529 320 V N -1.112 118.837 119.914 0.059 0.000 3.556 320 V HA 0.275 4.396 4.120 0.001 0.000 0.287 320 V C 1.460 177.536 176.094 -0.030 0.000 1.422 320 V CA 0.140 62.427 62.300 -0.021 0.000 1.038 320 V CB 0.460 32.283 31.823 0.000 0.000 0.850 320 V HN 0.415 nan 8.190 nan 0.000 0.437 321 K N 0.932 121.341 120.400 0.015 0.000 2.137 321 K HA 0.159 4.480 4.320 0.001 0.000 0.202 321 K C 1.005 177.604 176.600 -0.002 0.000 1.052 321 K CA 0.575 56.868 56.287 0.009 0.000 0.961 321 K CB 0.173 32.688 32.500 0.026 0.000 0.741 321 K HN 0.582 nan 8.250 nan 0.000 0.452 325 L N 0.581 121.804 121.223 0.001 0.000 2.109 325 L HA 0.108 4.448 4.340 0.001 0.000 0.207 325 L C 2.004 178.898 176.870 0.040 0.000 1.086 325 L CA 2.118 56.964 54.840 0.010 0.000 0.760 325 L CB -0.499 41.567 42.059 0.011 0.000 0.910 325 L HN 0.358 nan 8.230 nan 0.000 0.437 326 L N -1.556 119.706 121.223 0.065 0.000 2.109 326 L HA -0.097 4.244 4.340 0.001 0.000 0.207 326 L C 2.424 179.356 176.870 0.104 0.000 1.086 326 L CA 0.961 55.859 54.840 0.097 0.000 0.760 326 L CB -0.620 41.524 42.059 0.142 0.000 0.910 326 L HN 0.166 nan 8.230 nan 0.000 0.437 327 S N 0.296 116.051 115.700 0.093 0.000 2.356 327 S HA -0.121 4.350 4.470 0.001 0.000 0.223 327 S C 1.960 176.608 174.600 0.081 0.000 1.032 327 S CA 1.239 59.494 58.200 0.092 0.000 1.005 327 S CB -0.289 62.957 63.200 0.077 0.000 0.867 327 S HN 0.288 nan 8.310 nan 0.000 0.449 328 L N 1.031 122.283 121.223 0.048 0.000 2.201 328 L HA -0.042 4.298 4.340 0.001 0.000 0.212 328 L C 2.692 179.595 176.870 0.056 0.000 1.105 328 L CA 0.857 55.697 54.840 0.001 0.000 0.775 328 L CB -0.630 41.370 42.059 -0.100 0.000 0.913 328 L HN 0.319 nan 8.230 nan 0.000 0.440 329 A N -0.325 122.557 122.820 0.103 0.000 1.972 329 A HA -0.184 4.137 4.320 0.001 0.000 0.219 329 A C 2.333 180.098 177.584 0.301 0.000 1.169 329 A CA 2.155 54.326 52.037 0.224 0.000 0.635 329 A CB -0.749 18.375 19.000 0.207 0.000 0.810 329 A HN 0.356 nan 8.150 nan 0.000 0.446 330 T N 0.335 115.012 114.554 0.205 0.000 2.788 330 T HA -0.083 4.267 4.350 0.001 0.000 0.268 330 T C 1.726 176.539 174.700 0.188 0.000 1.044 330 T CA 1.598 63.834 62.100 0.228 0.000 1.139 330 T CB -0.353 68.645 68.868 0.218 0.000 0.867 330 T HN 0.495 nan 8.240 nan 0.000 0.454 331 I N -0.556 120.087 120.570 0.121 0.000 2.400 331 I HA -0.031 4.139 4.170 0.001 0.000 0.248 331 I C 2.235 178.365 176.117 0.021 0.000 1.109 331 I CA 0.926 62.261 61.300 0.057 0.000 1.425 331 I CB -0.416 37.606 38.000 0.036 0.000 1.094 331 I HN 0.165 nan 8.210 nan 0.000 0.425 332 Y N 1.829 122.086 120.300 -0.071 0.000 2.256 332 Y HA -0.256 4.295 4.550 0.001 0.000 0.288 332 Y C 1.938 177.707 175.900 -0.218 0.000 1.155 332 Y CA 1.752 59.749 58.100 -0.172 0.000 1.203 332 Y CB -0.493 37.812 38.460 -0.257 0.000 0.980 332 Y HN 0.233 nan 8.280 nan 0.000 0.530 333 H N -0.367 118.653 119.070 -0.083 0.000 2.538 333 H HA 0.215 4.771 4.556 0.001 0.000 0.286 333 H C 0.488 175.768 175.328 -0.080 0.000 1.035 333 H CA 0.213 56.196 56.048 -0.108 0.000 1.169 333 H CB -0.105 29.686 29.762 0.049 0.000 1.417 333 H HN 0.169 nan 8.280 nan 0.000 0.567 334 S N -0.275 115.411 115.700 -0.025 0.000 2.617 334 S HA 0.172 4.642 4.470 0.001 0.000 0.283 334 S C 0.808 175.375 174.600 -0.055 0.000 1.189 334 S CA -1.060 57.136 58.200 -0.006 0.000 1.036 334 S CB 1.769 64.962 63.200 -0.011 0.000 1.014 334 S HN 0.286 nan 8.310 nan 0.000 0.522 335 K N 0.379 120.755 120.400 -0.039 0.000 2.643 335 K HA 0.099 4.419 4.320 0.001 0.000 0.193 335 K C 0.516 177.068 176.600 -0.081 0.000 1.027 335 K CA 0.385 56.637 56.287 -0.059 0.000 1.033 335 K CB -0.449 32.018 32.500 -0.054 0.000 0.827 335 K HN 0.508 nan 8.250 nan 0.000 0.500 336 L N -0.927 120.251 121.223 -0.076 0.000 3.217 336 L HA 0.307 4.648 4.340 0.001 0.000 0.288 336 L C -0.223 176.629 176.870 -0.030 0.000 1.202 336 L CA -0.018 54.784 54.840 -0.065 0.000 1.027 336 L CB 0.731 42.763 42.059 -0.044 0.000 1.427 336 L HN -0.036 nan 8.230 nan 0.000 0.600 337 A N 0.143 122.924 122.820 -0.066 0.000 2.366 337 A HA 0.531 4.852 4.320 0.001 0.000 0.272 337 A C 0.672 178.218 177.584 -0.062 0.000 1.135 337 A CA 0.299 52.297 52.037 -0.064 0.000 0.804 337 A CB -0.145 18.771 19.000 -0.140 0.000 1.064 337 A HN 0.421 nan 8.150 nan 0.000 0.499 338 T N 0.054 114.601 114.554 -0.012 0.000 2.726 338 T HA 0.208 4.559 4.350 0.001 0.000 0.294 338 T C 0.481 175.164 174.700 -0.027 0.000 1.013 338 T CA 0.532 62.627 62.100 -0.009 0.000 0.996 338 T CB 0.234 69.119 68.868 0.027 0.000 1.016 338 T HN 0.576 nan 8.240 nan 0.000 0.529 339 D N -0.066 120.324 120.400 -0.016 0.000 2.178 339 D HA -0.094 4.547 4.640 0.001 0.000 0.202 339 D C 1.888 178.198 176.300 0.017 0.000 0.974 339 D CA 0.657 54.652 54.000 -0.009 0.000 0.841 339 D CB -0.149 40.648 40.800 -0.005 0.000 0.953 339 D HN 0.539 nan 8.370 nan 0.000 0.478 340 N N 0.258 118.973 118.700 0.025 0.000 2.336 340 N HA -0.052 4.688 4.740 0.001 0.000 0.177 340 N C 1.718 177.264 175.510 0.061 0.000 1.018 340 N CA 0.149 53.223 53.050 0.041 0.000 0.878 340 N CB 0.040 38.548 38.487 0.036 0.000 0.997 340 N HN 0.103 nan 8.380 nan 0.000 0.433 341 L N 2.366 123.624 121.223 0.057 0.000 2.042 341 L HA -0.085 4.255 4.340 0.001 0.000 0.210 341 L C 2.161 179.087 176.870 0.093 0.000 1.076 341 L CA 1.596 56.486 54.840 0.084 0.000 0.749 341 L CB -0.712 41.384 42.059 0.061 0.000 0.893 341 L HN 0.080 nan 8.230 nan 0.000 0.432 342 R N -0.375 120.175 120.500 0.083 0.000 2.096 342 R HA -0.144 4.196 4.340 0.001 0.000 0.235 342 R C 2.186 178.592 176.300 0.176 0.000 1.127 342 R CA 1.567 57.797 56.100 0.216 0.000 0.968 342 R CB -0.342 30.073 30.300 0.191 0.000 0.861 342 R HN 0.449 nan 8.270 nan 0.000 0.440 343 K N 0.467 120.934 120.400 0.111 0.000 2.009 343 K HA -0.188 4.133 4.320 0.001 0.000 0.210 343 K C 2.238 178.870 176.600 0.053 0.000 1.049 343 K CA 1.352 57.681 56.287 0.069 0.000 0.929 343 K CB -0.229 32.306 32.500 0.058 0.000 0.714 343 K HN 0.104 nan 8.250 nan 0.000 0.440 344 R N 1.388 121.940 120.500 0.087 0.000 2.073 344 R HA -0.127 4.214 4.340 0.001 0.000 0.234 344 R C 2.301 178.640 176.300 0.064 0.000 1.134 344 R CA 1.426 57.599 56.100 0.122 0.000 0.952 344 R CB -0.327 30.115 30.300 0.236 0.000 0.850 344 R HN 0.153 nan 8.270 nan 0.000 0.433 345 I N 0.959 121.499 120.570 -0.050 0.000 2.118 345 I HA -0.355 3.816 4.170 0.001 0.000 0.241 345 I C 2.309 178.320 176.117 -0.177 0.000 1.070 345 I CA 0.977 62.107 61.300 -0.283 0.000 1.327 345 I CB -0.487 37.321 38.000 -0.320 0.000 1.034 345 I HN 0.213 nan 8.210 nan 0.000 0.405 346 L N 1.130 122.261 121.223 -0.153 0.000 1.941 346 L HA -0.276 4.065 4.340 0.001 0.000 0.224 346 L C 2.510 179.323 176.870 -0.095 0.000 1.081 346 L CA 2.027 56.761 54.840 -0.176 0.000 0.784 346 L CB -0.876 41.093 42.059 -0.149 0.000 0.894 346 L HN 0.160 nan 8.230 nan 0.000 0.436 347 K N -1.008 119.365 120.400 -0.044 0.000 2.218 347 K HA -0.217 4.103 4.320 0.001 0.000 0.205 347 K C 1.823 178.423 176.600 0.000 0.000 1.046 347 K CA 1.291 57.570 56.287 -0.014 0.000 0.933 347 K CB -0.313 32.193 32.500 0.009 0.000 0.728 347 K HN 0.430 nan 8.250 nan 0.000 0.454 348 D N 0.832 121.238 120.400 0.010 0.000 2.103 348 D HA -0.110 4.530 4.640 0.001 0.000 0.199 348 D C 1.810 178.113 176.300 0.004 0.000 0.978 348 D CA 0.750 54.775 54.000 0.042 0.000 0.829 348 D CB 0.169 41.038 40.800 0.116 0.000 0.981 348 D HN -0.045 nan 8.370 nan 0.000 0.464 349 L N 1.156 122.355 121.223 -0.041 0.000 2.017 349 L HA -0.045 4.295 4.340 0.001 0.000 0.208 349 L C 2.674 179.522 176.870 -0.036 0.000 1.073 349 L CA 1.374 56.185 54.840 -0.049 0.000 0.745 349 L CB -0.950 41.052 42.059 -0.095 0.000 0.894 349 L HN 0.026 nan 8.230 nan 0.000 0.432 350 R N -0.528 119.946 120.500 -0.043 0.000 2.061 350 R HA -0.083 4.258 4.340 0.001 0.000 0.230 350 R C 0.570 176.861 176.300 -0.015 0.000 1.140 350 R CA 0.840 56.920 56.100 -0.032 0.000 0.940 350 R CB -0.355 29.922 30.300 -0.037 0.000 0.839 350 R HN 0.397 nan 8.270 nan 0.000 0.429 360 E N 2.541 122.696 120.200 -0.074 0.000 2.292 360 E HA 0.449 4.800 4.350 0.001 0.000 0.258 360 E C -2.308 174.226 176.600 -0.109 0.000 1.115 360 E CA -1.945 54.356 56.400 -0.164 0.000 0.929 360 E CB 0.839 30.488 29.700 -0.085 0.000 1.161 360 E HN 0.268 nan 8.360 nan 0.000 0.453 361 P HA 0.173 nan 4.420 nan 0.000 0.274 361 P C -2.573 174.868 177.300 0.235 0.000 1.231 361 P CA -1.150 61.958 63.100 0.013 0.000 0.790 361 P CB 0.019 31.701 31.700 -0.029 0.000 0.951 362 P HA 0.133 nan 4.420 nan 0.000 0.271 362 P C -0.336 176.952 177.300 -0.021 0.000 1.216 362 P CA -0.167 62.971 63.100 0.063 0.000 0.771 362 P CB 0.429 32.143 31.700 0.023 0.000 0.864 363 K N 5.246 125.493 120.400 -0.254 0.000 2.401 363 K HA 0.158 4.479 4.320 0.001 0.000 0.278 363 K C -1.880 174.567 176.600 -0.255 0.000 1.018 363 K CA -1.352 54.588 56.287 -0.579 0.000 0.981 363 K CB -0.120 32.067 32.500 -0.521 0.000 0.933 363 K HN 0.368 nan 8.250 nan 0.000 0.477 364 P HA 0.041 nan 4.420 nan 0.000 0.280 364 P C -0.529 176.654 177.300 -0.195 0.000 1.244 364 P CA -0.436 62.571 63.100 -0.155 0.000 0.784 364 P CB 0.765 32.386 31.700 -0.132 0.000 0.913 365 L N 3.639 124.766 121.223 -0.160 0.000 2.499 365 L HA 0.165 4.506 4.340 0.001 0.000 0.273 365 L C -0.485 176.256 176.870 -0.214 0.000 1.195 365 L CA 0.224 54.971 54.840 -0.154 0.000 0.882 365 L CB 0.296 42.287 42.059 -0.113 0.000 1.133 365 L HN 0.154 nan 8.230 nan 0.000 0.483 369 P HA 0.070 nan 4.420 nan 0.000 0.270 369 P C 0.217 177.647 177.300 0.216 0.000 1.221 369 P CA 0.065 63.278 63.100 0.189 0.000 0.788 369 P CB 0.383 32.176 31.700 0.155 0.000 0.904 370 I N -2.017 118.607 120.570 0.090 0.000 4.025 370 I HA 0.292 4.462 4.170 0.001 0.000 0.336 370 I C 1.580 177.671 176.117 -0.043 0.000 1.390 370 I CA -0.105 61.147 61.300 -0.081 0.000 1.099 370 I CB -0.001 37.844 38.000 -0.259 0.000 1.049 370 I HN 0.054 nan 8.210 nan 0.000 0.394 371 K N 2.380 122.809 120.400 0.049 0.000 2.063 371 K HA -0.138 4.182 4.320 0.001 0.000 0.208 371 K C 1.491 178.120 176.600 0.048 0.000 1.048 371 K CA 1.770 58.092 56.287 0.058 0.000 0.928 371 K CB -0.122 32.452 32.500 0.123 0.000 0.713 371 K HN 0.315 nan 8.250 nan 0.000 0.442 372 E N 0.347 120.592 120.200 0.074 0.000 2.359 372 E HA 0.097 4.448 4.350 0.001 0.000 0.187 372 E C -0.306 176.330 176.600 0.059 0.000 1.081 372 E CA 0.054 56.496 56.400 0.070 0.000 0.929 372 E CB -0.236 29.517 29.700 0.089 0.000 1.086 372 E HN 0.374 nan 8.360 nan 0.000 0.462 373 I N 3.304 123.880 120.570 0.011 0.000 2.331 373 I HA 0.116 4.287 4.170 0.001 0.000 0.292 373 I C -1.904 174.205 176.117 -0.014 0.000 0.998 373 I CA -2.225 59.067 61.300 -0.014 0.000 1.267 373 I CB 1.481 39.384 38.000 -0.161 0.000 1.386 373 I HN -0.266 nan 8.210 nan 0.000 0.476 374 P HA -0.022 nan 4.420 nan 0.000 0.258 374 P C 0.945 178.281 177.300 0.060 0.000 1.563 374 P CA 0.021 63.147 63.100 0.042 0.000 1.241 374 P CB 0.289 32.023 31.700 0.056 0.000 1.811 375 I N 3.839 124.420 120.570 0.019 0.000 2.121 375 I HA -0.365 3.805 4.170 0.001 0.000 0.243 375 I C 2.117 178.318 176.117 0.139 0.000 1.047 375 I CA 1.998 63.322 61.300 0.041 0.000 1.308 375 I CB -0.304 37.686 38.000 -0.017 0.000 1.015 375 I HN 0.147 nan 8.210 nan 0.000 0.410 376 K N -0.250 120.198 120.400 0.080 0.000 2.009 376 K HA -0.276 4.044 4.320 0.001 0.000 0.210 376 K C 2.180 178.817 176.600 0.062 0.000 1.049 376 K CA 2.069 58.395 56.287 0.065 0.000 0.929 376 K CB -0.442 32.078 32.500 0.033 0.000 0.714 376 K HN 0.536 nan 8.250 nan 0.000 0.440 377 E N 0.424 120.662 120.200 0.064 0.000 2.058 377 E HA -0.189 4.162 4.350 0.001 0.000 0.194 377 E C 0.759 177.380 176.600 0.035 0.000 0.997 377 E CA 0.623 57.047 56.400 0.039 0.000 0.801 377 E CB -0.055 29.673 29.700 0.046 0.000 0.746 377 E HN 0.249 nan 8.360 nan 0.000 0.450 381 I N -0.376 120.059 120.570 -0.224 0.000 3.428 381 I HA 0.097 4.267 4.170 0.001 0.000 0.286 381 I C 1.657 177.577 176.117 -0.328 0.000 1.287 381 I CA 0.389 61.547 61.300 -0.236 0.000 1.396 381 I CB 0.071 37.952 38.000 -0.199 0.000 1.062 381 I HN -0.164 nan 8.210 nan 0.000 0.471 382 V N 1.678 121.301 119.914 -0.485 0.000 2.379 382 V HA -0.134 3.987 4.120 0.001 0.000 0.243 382 V C 2.488 178.401 176.094 -0.302 0.000 1.035 382 V CA 1.778 63.762 62.300 -0.527 0.000 1.035 382 V CB -0.339 30.955 31.823 -0.882 0.000 0.673 382 V HN 0.405 nan 8.190 nan 0.000 0.457 383 E N 0.200 120.250 120.200 -0.251 0.000 2.110 383 E HA -0.152 4.199 4.350 0.001 0.000 0.193 383 E C 2.060 178.584 176.600 -0.127 0.000 0.988 383 E CA 1.252 57.556 56.400 -0.159 0.000 0.804 383 E CB -0.341 29.283 29.700 -0.128 0.000 0.745 383 E HN 0.604 nan 8.360 nan 0.000 0.458 384 G N -0.597 108.126 108.800 -0.129 0.000 2.985 384 G HA2 -0.075 3.886 3.960 0.001 0.000 0.209 384 G HA3 -0.075 3.886 3.960 0.001 0.000 0.209 384 G C 0.686 175.531 174.900 -0.092 0.000 1.165 384 G CA 0.114 45.156 45.100 -0.098 0.000 0.776 384 G HN 0.137 nan 8.290 nan 0.000 0.541 385 N N -0.880 117.754 118.700 -0.111 0.000 2.104 385 N HA 0.074 4.814 4.740 0.001 0.000 0.227 385 N C 0.428 175.887 175.510 -0.084 0.000 1.321 385 N CA -0.024 52.971 53.050 -0.092 0.000 0.877 385 N CB 0.841 39.268 38.487 -0.099 0.000 1.117 385 N HN 0.155 nan 8.380 nan 0.000 0.486 386 S N 0.998 116.638 115.700 -0.100 0.000 2.474 386 S HA 0.128 4.599 4.470 0.001 0.000 0.276 386 S C 0.889 175.459 174.600 -0.050 0.000 1.227 386 S CA -0.605 57.548 58.200 -0.077 0.000 1.050 386 S CB 0.966 64.109 63.200 -0.095 0.000 0.939 386 S HN 0.340 nan 8.310 nan 0.000 0.490 387 E N 2.073 122.253 120.200 -0.033 0.000 2.435 387 E HA -0.051 4.299 4.350 0.001 0.000 0.195 387 E C 1.109 177.721 176.600 0.020 0.000 1.029 387 E CA 0.857 57.249 56.400 -0.013 0.000 0.865 387 E CB -0.353 29.338 29.700 -0.014 0.000 0.833 387 E HN 0.830 nan 8.360 nan 0.000 0.510 388 T N -1.491 113.079 114.554 0.027 0.000 3.040 388 T HA 0.182 4.532 4.350 0.001 0.000 0.266 388 T C 0.392 175.180 174.700 0.148 0.000 1.005 388 T CA -0.608 61.564 62.100 0.121 0.000 0.906 388 T CB 0.001 68.878 68.868 0.016 0.000 1.082 388 T HN 0.055 nan 8.240 nan 0.000 0.531 389 L N 2.317 123.569 121.223 0.048 0.000 2.499 389 L HA 0.500 4.841 4.340 0.001 0.000 0.273 389 L C -0.833 176.028 176.870 -0.016 0.000 1.195 389 L CA -0.235 54.618 54.840 0.022 0.000 0.882 389 L CB 0.267 42.304 42.059 -0.037 0.000 1.133 389 L HN 0.238 nan 8.230 nan 0.000 0.483 390 L N 6.319 127.527 121.223 -0.026 0.000 2.376 390 L HA 0.560 4.901 4.340 0.001 0.000 0.275 390 L C -0.421 176.281 176.870 -0.279 0.000 0.987 390 L CA -0.099 54.633 54.840 -0.179 0.000 0.828 390 L CB 1.493 43.505 42.059 -0.079 0.000 1.249 390 L HN 0.599 nan 8.230 nan 0.000 0.409 391 R N 3.789 124.006 120.500 -0.471 0.000 2.514 391 R HA 0.683 5.024 4.340 0.001 0.000 0.301 391 R C -1.543 174.335 176.300 -0.702 0.000 0.962 391 R CA -0.548 55.318 56.100 -0.390 0.000 0.882 391 R CB 1.814 31.974 30.300 -0.233 0.000 1.143 391 R HN 0.274 nan 8.270 nan 0.000 0.452 392 F N 1.036 120.873 119.950 -0.188 0.000 2.659 392 F HA 0.196 4.723 4.527 0.001 0.000 0.342 392 F C 0.082 175.776 175.800 -0.177 0.000 1.168 392 F CA -1.053 56.709 58.000 -0.396 0.000 1.003 392 F CB 1.614 40.224 39.000 -0.650 0.000 1.267 392 F HN 0.652 nan 8.300 nan 0.000 0.463 393 E N 1.261 121.484 120.200 0.039 0.000 2.450 393 E HA -0.243 4.108 4.350 0.001 0.000 0.244 393 E C -0.642 175.998 176.600 0.067 0.000 1.226 393 E CA 0.519 56.968 56.400 0.082 0.000 0.720 393 E CB -0.828 28.976 29.700 0.172 0.000 1.254 393 E HN 0.402 nan 8.360 nan 0.000 0.399 394 L N 0.000 121.242 121.223 0.032 0.000 2.949 394 L HA 0.000 4.340 4.340 0.001 0.000 0.249 394 L CA 0.000 54.859 54.840 0.032 0.000 0.813 394 L CB 0.000 42.093 42.059 0.056 0.000 0.961 394 L HN 0.000 nan 8.230 nan 0.000 0.502