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 2w90_1_A DATA FIRST_RESID 0 DATA SEQUENCE HMAKHQIGVI GLAVMGKNLA LNIESKGYSV AVYNRLREKT DEFLQEAKGK DATA SEQUENCE NIVGTYSIEE FVNALEKPRK ILLMVKAGAP TDATIEQLKP HLEKGDIVID DATA SEQUENCE GGNTYFKDTQ RRNKELAELG IHFIGTGVSG GEEGALKGPS IMPGGQKEAH DATA SEQUENCE ELVRPIFEAI AAKVDGEPCT TYIGPDGAGH YVKMVHNGIE YGDMQLIAEA DATA SEQUENCE YFLLKHVLGM DAAELHEVFA DWNKGELNSY LIEITADIFT KIDEETGKPL DATA SEQUENCE VDVILDKAGQ KGTGKWTSQN ALDLGVPLPI ITESVFARFL SAMKDERVKA DATA SEQUENCE SKVLAGPAVK PFEGDRAHFI EAVRRALYMS KICSYAQGFA QMKAASEEYN DATA SEQUENCE WNLRYGDIAM IFRGGCIIRA QFLQKIKEAY DRDPALSNLL LDSYFKDIVE DATA SEQUENCE RYQDALREIV ATAAMRGIPV PGSASALAYY DSYRTAVLPA NLIQAQRDYF DATA SEQUENCE GAHTYERVDK EGIFHTEWLK 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 0 H HA 0.000 nan 4.556 nan 0.000 0.296 0 H C 0.000 175.333 175.328 0.008 0.000 0.993 0 H CA 0.000 56.052 56.048 0.007 0.000 1.023 0 H CB 0.000 29.764 29.762 0.003 0.000 1.292 1 M N 2.107 121.620 119.600 -0.146 0.000 2.250 1 M HA 0.278 4.765 4.480 0.012 0.000 0.325 1 M C 0.646 176.856 176.300 -0.151 0.000 1.084 1 M CA 1.056 56.300 55.300 -0.093 0.000 1.161 1 M CB 0.562 33.134 32.600 -0.045 0.000 1.481 1 M HN 0.758 nan 8.290 nan 0.000 0.449 2 A N 3.350 126.129 122.820 -0.068 0.000 2.275 2 A HA 0.209 4.536 4.320 0.012 0.000 0.212 2 A C 0.094 177.598 177.584 -0.132 0.000 1.201 2 A CA 0.026 52.010 52.037 -0.088 0.000 0.843 2 A CB -0.001 18.956 19.000 -0.072 0.000 0.873 2 A HN 0.808 nan 8.150 nan 0.000 0.492 3 K N 0.359 120.707 120.400 -0.087 0.000 6.958 3 K HA -0.133 4.194 4.320 0.012 0.000 0.778 3 K C -0.955 175.565 176.600 -0.133 0.000 2.415 3 K CA 0.652 56.904 56.287 -0.058 0.000 1.749 3 K CB -1.585 30.870 32.500 -0.075 0.000 2.102 3 K HN 0.743 nan 8.250 nan 0.000 0.285 4 H N 1.507 120.542 119.070 -0.058 0.000 2.496 4 H HA 0.289 4.852 4.556 0.012 0.000 0.342 4 H C 1.050 176.358 175.328 -0.033 0.000 1.170 4 H CA -0.537 55.491 56.048 -0.034 0.000 1.274 4 H CB 1.301 31.043 29.762 -0.034 0.000 1.538 4 H HN 0.539 nan 8.280 nan 0.000 0.542 5 Q N 0.670 120.538 119.800 0.113 0.000 2.187 5 Q HA 0.164 4.511 4.340 0.012 0.000 0.199 5 Q C -0.032 175.990 176.000 0.037 0.000 0.957 5 Q CA 0.832 56.685 55.803 0.083 0.000 0.857 5 Q CB 0.746 29.590 28.738 0.176 0.000 0.929 5 Q HN 0.497 nan 8.270 nan 0.000 0.453 6 I N -1.001 119.596 120.570 0.046 0.000 2.752 6 I HA 0.521 4.698 4.170 0.012 0.000 0.295 6 I C -1.395 174.732 176.117 0.017 0.000 1.219 6 I CA -0.946 60.352 61.300 -0.005 0.000 1.030 6 I CB 2.090 40.061 38.000 -0.049 0.000 1.259 6 I HN -0.039 nan 8.210 nan 0.000 0.423 7 G N 5.661 114.466 108.800 0.010 0.000 2.416 7 G HA2 0.641 4.608 3.960 0.012 0.000 0.329 7 G HA3 0.641 4.608 3.960 0.012 0.000 0.329 7 G C -1.636 173.480 174.900 0.360 0.000 1.173 7 G CA -0.492 44.687 45.100 0.131 0.000 0.929 7 G HN 0.445 nan 8.290 nan 0.000 0.475 8 V N 3.087 123.257 119.914 0.426 0.000 2.443 8 V HA 0.383 4.510 4.120 0.012 0.000 0.293 8 V C -0.244 175.872 176.094 0.035 0.000 1.021 8 V CA -0.535 61.883 62.300 0.196 0.000 0.848 8 V CB 1.338 33.207 31.823 0.077 0.000 0.998 8 V HN 0.645 nan 8.190 nan 0.000 0.424 9 I N 3.953 124.478 120.570 -0.075 0.000 2.359 9 I HA 0.789 4.966 4.170 0.012 0.000 0.294 9 I C 0.707 176.748 176.117 -0.127 0.000 0.987 9 I CA -0.209 60.971 61.300 -0.199 0.000 1.225 9 I CB 1.690 39.575 38.000 -0.193 0.000 1.366 9 I HN 0.868 nan 8.210 nan 0.000 0.466 10 G N 6.225 114.917 108.800 -0.179 0.000 3.445 10 G HA2 -0.094 3.873 3.960 0.012 0.000 0.686 10 G HA3 -0.094 3.873 3.960 0.012 0.000 0.686 10 G C -0.847 173.939 174.900 -0.190 0.000 1.113 10 G CA -0.939 44.068 45.100 -0.156 0.000 0.974 10 G HN 0.584 nan 8.290 nan 0.000 0.492 11 L N 1.921 123.019 121.223 -0.207 0.000 3.193 11 L HA 0.553 4.900 4.340 0.012 0.000 0.305 11 L C 1.324 178.086 176.870 -0.181 0.000 1.299 11 L CA -0.072 54.611 54.840 -0.262 0.000 0.904 11 L CB 0.280 42.153 42.059 -0.310 0.000 1.331 11 L HN 0.932 nan 8.230 nan 0.000 0.588 12 A N 0.090 122.830 122.820 -0.133 0.000 2.325 12 A HA 0.312 4.639 4.320 0.012 0.000 0.260 12 A C 1.465 178.987 177.584 -0.103 0.000 1.133 12 A CA -0.117 51.865 52.037 -0.093 0.000 0.801 12 A CB 0.494 19.454 19.000 -0.066 0.000 1.092 12 A HN 0.086 nan 8.150 nan 0.000 0.504 13 V N -0.446 119.428 119.914 -0.066 0.000 2.490 13 V HA -0.237 3.890 4.120 0.012 0.000 0.250 13 V C 2.384 178.442 176.094 -0.060 0.000 1.061 13 V CA 2.373 64.641 62.300 -0.053 0.000 1.064 13 V CB -1.015 30.795 31.823 -0.021 0.000 0.670 13 V HN 0.849 nan 8.190 nan 0.000 0.461 14 M N 1.340 120.905 119.600 -0.058 0.000 2.213 14 M HA -0.013 4.474 4.480 0.012 0.000 0.263 14 M C 1.883 178.142 176.300 -0.068 0.000 1.062 14 M CA 1.938 57.209 55.300 -0.049 0.000 1.105 14 M CB -0.785 31.793 32.600 -0.037 0.000 1.385 14 M HN 0.324 nan 8.290 nan 0.000 0.417 15 G N -1.130 107.603 108.800 -0.111 0.000 2.459 15 G HA2 -0.079 3.888 3.960 0.012 0.000 0.213 15 G HA3 -0.079 3.888 3.960 0.012 0.000 0.213 15 G C 1.577 176.327 174.900 -0.249 0.000 1.155 15 G CA 0.124 45.136 45.100 -0.147 0.000 0.811 15 G HN 0.382 nan 8.290 nan 0.000 0.534 16 K N 0.693 120.882 120.400 -0.352 0.000 2.001 16 K HA -0.127 4.200 4.320 0.012 0.000 0.214 16 K C 2.287 178.815 176.600 -0.120 0.000 1.050 16 K CA 1.504 57.489 56.287 -0.504 0.000 0.934 16 K CB -0.200 32.098 32.500 -0.338 0.000 0.718 16 K HN 0.101 nan 8.250 nan 0.000 0.443 17 N N 1.033 119.709 118.700 -0.040 0.000 2.223 17 N HA -0.134 4.613 4.740 0.012 0.000 0.185 17 N C 1.751 177.280 175.510 0.031 0.000 1.016 17 N CA 0.777 53.844 53.050 0.028 0.000 0.863 17 N CB -0.200 38.298 38.487 0.018 0.000 0.983 17 N HN 0.052 nan 8.380 nan 0.000 0.429 18 L N 0.717 121.940 121.223 -0.001 0.000 2.072 18 L HA 0.042 4.389 4.340 0.012 0.000 0.205 18 L C 2.090 178.987 176.870 0.046 0.000 1.079 18 L CA 1.077 55.928 54.840 0.018 0.000 0.752 18 L CB -0.568 41.492 42.059 0.001 0.000 0.906 18 L HN 0.092 nan 8.230 nan 0.000 0.436 19 A N -0.838 122.002 122.820 0.035 0.000 1.908 19 A HA -0.190 4.136 4.320 0.012 0.000 0.218 19 A C 2.103 179.799 177.584 0.187 0.000 1.181 19 A CA 1.721 53.824 52.037 0.110 0.000 0.627 19 A CB -0.805 18.258 19.000 0.105 0.000 0.818 19 A HN 0.347 nan 8.150 nan 0.000 0.445 20 L N 0.583 121.936 121.223 0.216 0.000 2.042 20 L HA -0.176 4.171 4.340 0.012 0.000 0.210 20 L C 2.318 179.266 176.870 0.129 0.000 1.076 20 L CA 1.942 56.899 54.840 0.195 0.000 0.749 20 L CB -1.459 40.716 42.059 0.192 0.000 0.893 20 L HN 0.503 nan 8.230 nan 0.000 0.432 21 N N 0.438 119.200 118.700 0.105 0.000 2.025 21 N HA -0.208 4.539 4.740 0.012 0.000 0.194 21 N C 1.965 177.542 175.510 0.112 0.000 1.044 21 N CA 1.745 54.849 53.050 0.090 0.000 0.851 21 N CB -0.231 38.297 38.487 0.068 0.000 1.036 21 N HN 0.333 nan 8.380 nan 0.000 0.422 22 I N 1.100 121.738 120.570 0.114 0.000 2.185 22 I HA -0.258 3.919 4.170 0.012 0.000 0.246 22 I C 2.498 178.746 176.117 0.219 0.000 1.088 22 I CA 1.294 62.679 61.300 0.142 0.000 1.347 22 I CB -0.326 37.724 38.000 0.083 0.000 1.041 22 I HN 0.316 nan 8.210 nan 0.000 0.415 23 E N 1.008 121.312 120.200 0.173 0.000 2.072 23 E HA -0.218 4.139 4.350 0.012 0.000 0.191 23 E C 2.249 178.919 176.600 0.117 0.000 0.985 23 E CA 1.777 58.270 56.400 0.156 0.000 0.801 23 E CB -0.062 29.716 29.700 0.130 0.000 0.750 23 E HN 0.521 nan 8.360 nan 0.000 0.452 24 S N 0.071 115.834 115.700 0.104 0.000 2.469 24 S HA -0.053 4.423 4.470 0.012 0.000 0.238 24 S C 1.390 176.033 174.600 0.072 0.000 0.998 24 S CA 0.621 58.866 58.200 0.074 0.000 0.957 24 S CB -0.025 63.217 63.200 0.069 0.000 0.764 24 S HN 0.044 nan 8.310 nan 0.000 0.514 25 K N 0.787 121.259 120.400 0.119 0.000 2.397 25 K HA 0.320 4.647 4.320 0.012 0.000 0.202 25 K C 1.126 177.713 176.600 -0.021 0.000 1.022 25 K CA 0.486 56.840 56.287 0.111 0.000 1.141 25 K CB 0.033 32.667 32.500 0.224 0.000 0.857 25 K HN 0.559 nan 8.250 nan 0.000 0.514 26 G N 1.123 109.896 108.800 -0.044 0.000 2.130 26 G HA2 -0.259 3.708 3.960 0.012 0.000 0.216 26 G HA3 -0.259 3.708 3.960 0.012 0.000 0.216 26 G C -0.543 174.166 174.900 -0.318 0.000 0.999 26 G CA -0.318 44.669 45.100 -0.187 0.000 0.686 26 G HN 0.241 nan 8.290 nan 0.000 0.515 27 Y N 1.314 121.624 120.300 0.016 0.000 2.387 27 Y HA 0.596 5.153 4.550 0.012 0.000 0.330 27 Y C 1.000 176.923 175.900 0.038 0.000 1.133 27 Y CA -0.292 57.818 58.100 0.017 0.000 1.152 27 Y CB 1.807 40.276 38.460 0.015 0.000 1.215 27 Y HN 0.341 nan 8.280 nan 0.000 0.466 28 S N 1.461 117.272 115.700 0.185 0.000 2.499 28 S HA 0.720 5.197 4.470 0.012 0.000 0.279 28 S C -0.805 173.936 174.600 0.235 0.000 1.219 28 S CA -0.728 57.578 58.200 0.176 0.000 1.062 28 S CB 0.920 64.175 63.200 0.091 0.000 0.978 28 S HN 0.373 nan 8.310 nan 0.000 0.489 29 V N 1.966 122.022 119.914 0.236 0.000 2.540 29 V HA 0.794 4.921 4.120 0.012 0.000 0.302 29 V C 0.292 176.440 176.094 0.091 0.000 1.035 29 V CA -0.804 61.602 62.300 0.178 0.000 0.873 29 V CB 1.349 33.280 31.823 0.179 0.000 0.992 29 V HN 1.186 nan 8.190 nan 0.000 0.428 30 A N 4.189 127.015 122.820 0.010 0.000 2.312 30 A HA 0.954 5.281 4.320 0.012 0.000 0.328 30 A C -0.390 177.338 177.584 0.240 0.000 1.158 30 A CA -0.516 51.491 52.037 -0.050 0.000 0.821 30 A CB 1.570 20.431 19.000 -0.232 0.000 1.170 30 A HN 1.462 nan 8.150 nan 0.000 0.490 31 V N -0.743 119.328 119.914 0.261 0.000 3.040 31 V HA 0.882 5.009 4.120 0.012 0.000 0.312 31 V C -0.950 175.238 176.094 0.156 0.000 1.115 31 V CA -0.854 61.598 62.300 0.253 0.000 0.998 31 V CB 1.389 33.327 31.823 0.191 0.000 1.042 31 V HN 1.180 nan 8.190 nan 0.000 0.433 32 Y N 1.834 121.978 120.300 -0.260 0.000 2.544 32 Y HA 0.773 5.330 4.550 0.011 0.000 0.342 32 Y C -1.235 174.480 175.900 -0.308 0.000 1.062 32 Y CA -0.779 57.093 58.100 -0.380 0.000 1.023 32 Y CB 2.341 40.393 38.460 -0.680 0.000 1.308 32 Y HN 0.994 nan 8.280 nan 0.000 0.457 33 N N 3.261 121.233 118.700 -1.214 0.000 2.369 33 N HA 0.323 5.070 4.740 0.012 0.000 0.287 33 N C 0.237 175.103 175.510 -1.073 0.000 1.067 33 N CA -0.684 51.803 53.050 -0.939 0.000 0.888 33 N CB 1.844 40.070 38.487 -0.435 0.000 1.616 33 N HN 0.791 nan 8.380 nan 0.000 0.482 34 R N 2.592 122.659 120.500 -0.721 0.000 2.112 34 R HA -0.015 4.332 4.340 0.012 0.000 0.242 34 R C 0.048 176.230 176.300 -0.197 0.000 1.137 34 R CA 1.098 57.006 56.100 -0.320 0.000 0.944 34 R CB -0.089 30.144 30.300 -0.112 0.000 0.857 34 R HN 0.450 nan 8.270 nan 0.000 0.435 35 L N 2.549 123.668 121.223 -0.174 0.000 2.385 35 L HA 0.053 4.400 4.340 0.012 0.000 0.281 35 L C 1.623 178.435 176.870 -0.097 0.000 1.106 35 L CA 0.590 55.373 54.840 -0.096 0.000 0.856 35 L CB 0.968 42.984 42.059 -0.071 0.000 1.186 35 L HN 0.363 nan 8.230 nan 0.000 0.453 36 R N 3.582 124.067 120.500 -0.025 0.000 2.096 36 R HA -0.212 4.135 4.340 0.012 0.000 0.240 36 R C 1.775 178.109 176.300 0.056 0.000 1.139 36 R CA 2.224 58.358 56.100 0.056 0.000 0.952 36 R CB 0.105 30.475 30.300 0.117 0.000 0.854 36 R HN 0.792 nan 8.270 nan 0.000 0.436 37 E N 0.095 120.314 120.200 0.031 0.000 2.267 37 E HA -0.230 4.127 4.350 0.012 0.000 0.197 37 E C 1.580 178.198 176.600 0.029 0.000 0.998 37 E CA 1.241 57.660 56.400 0.033 0.000 0.830 37 E CB -0.019 29.692 29.700 0.017 0.000 0.751 37 E HN 0.211 nan 8.360 nan 0.000 0.491 38 K N 0.615 121.015 120.400 -0.000 0.000 2.076 38 K HA 0.019 4.346 4.320 0.012 0.000 0.204 38 K C 2.188 178.808 176.600 0.035 0.000 1.051 38 K CA 1.740 58.025 56.287 -0.004 0.000 0.949 38 K CB -0.479 31.985 32.500 -0.060 0.000 0.726 38 K HN 0.103 nan 8.250 nan 0.000 0.443 39 T N 1.471 116.027 114.554 0.003 0.000 2.788 39 T HA -0.124 4.233 4.350 0.012 0.000 0.268 39 T C 0.958 175.734 174.700 0.126 0.000 1.044 39 T CA 1.683 63.809 62.100 0.045 0.000 1.139 39 T CB -0.332 68.480 68.868 -0.094 0.000 0.867 39 T HN 0.190 nan 8.240 nan 0.000 0.454 40 D N 0.889 121.369 120.400 0.133 0.000 2.097 40 D HA -0.078 4.569 4.640 0.012 0.000 0.195 40 D C 2.110 178.465 176.300 0.092 0.000 0.989 40 D CA 0.942 55.019 54.000 0.129 0.000 0.827 40 D CB -0.322 40.540 40.800 0.104 0.000 0.966 40 D HN 0.491 nan 8.370 nan 0.000 0.456 41 E N -0.795 119.459 120.200 0.092 0.000 2.106 41 E HA -0.161 4.196 4.350 0.012 0.000 0.192 41 E C 1.854 178.533 176.600 0.131 0.000 0.984 41 E CA 0.380 56.832 56.400 0.086 0.000 0.806 41 E CB -0.099 29.645 29.700 0.073 0.000 0.750 41 E HN 0.164 nan 8.360 nan 0.000 0.458 42 F N 1.202 121.151 119.950 -0.002 0.000 2.186 42 F HA -0.076 4.458 4.527 0.012 0.000 0.299 42 F C 1.802 177.607 175.800 0.008 0.000 1.090 42 F CA 1.045 59.043 58.000 -0.004 0.000 1.307 42 F CB -0.158 38.830 39.000 -0.019 0.000 1.019 42 F HN -0.002 nan 8.300 nan 0.000 0.489 43 L N -0.210 120.955 121.223 -0.098 0.000 2.217 43 L HA -0.181 4.166 4.340 0.012 0.000 0.211 43 L C 2.519 179.309 176.870 -0.133 0.000 1.107 43 L CA 1.278 56.011 54.840 -0.179 0.000 0.783 43 L CB -0.700 41.346 42.059 -0.022 0.000 0.919 43 L HN 0.286 nan 8.230 nan 0.000 0.442 44 Q N 0.260 120.023 119.800 -0.060 0.000 1.993 44 Q HA -0.217 4.130 4.340 0.012 0.000 0.202 44 Q C 1.952 177.909 176.000 -0.071 0.000 0.984 44 Q CA 1.514 57.292 55.803 -0.042 0.000 0.837 44 Q CB 0.137 28.872 28.738 -0.004 0.000 0.902 44 Q HN 0.408 nan 8.270 nan 0.000 0.423 45 E N -0.161 119.995 120.200 -0.073 0.000 2.204 45 E HA -0.110 4.247 4.350 0.012 0.000 0.194 45 E C 1.517 178.030 176.600 -0.145 0.000 0.989 45 E CA 0.913 57.276 56.400 -0.062 0.000 0.824 45 E CB 0.025 29.736 29.700 0.018 0.000 0.756 45 E HN 0.438 nan 8.360 nan 0.000 0.477 46 A N 1.257 123.880 122.820 -0.330 0.000 2.238 46 A HA -0.012 4.315 4.320 0.012 0.000 0.208 46 A C 0.889 178.343 177.584 -0.217 0.000 1.177 46 A CA -0.036 51.763 52.037 -0.396 0.000 0.804 46 A CB -0.089 18.378 19.000 -0.889 0.000 0.823 46 A HN -0.030 nan 8.150 nan 0.000 0.482 47 K N -0.772 119.540 120.400 -0.146 0.000 2.518 47 K HA 0.246 4.573 4.320 0.012 0.000 0.276 47 K C 1.228 177.793 176.600 -0.059 0.000 0.974 47 K CA 0.874 57.110 56.287 -0.084 0.000 0.986 47 K CB 0.101 32.569 32.500 -0.053 0.000 0.901 47 K HN 0.605 nan 8.250 nan 0.000 0.497 48 G N 1.214 109.991 108.800 -0.038 0.000 2.225 48 G HA2 -0.212 3.755 3.960 0.012 0.000 0.254 48 G HA3 -0.212 3.755 3.960 0.012 0.000 0.254 48 G C -0.108 174.780 174.900 -0.018 0.000 0.988 48 G CA 0.130 45.216 45.100 -0.023 0.000 0.625 48 G HN 0.433 nan 8.290 nan 0.000 0.527 49 K N 0.350 120.731 120.400 -0.031 0.000 2.123 49 K HA 0.359 4.686 4.320 0.012 0.000 0.248 49 K C -0.045 176.558 176.600 0.005 0.000 0.969 49 K CA -1.059 55.220 56.287 -0.013 0.000 0.882 49 K CB 0.834 33.318 32.500 -0.026 0.000 1.080 49 K HN 0.221 nan 8.250 nan 0.000 0.441 50 N N 2.047 120.768 118.700 0.035 0.000 3.178 50 N HA 0.144 4.891 4.740 0.012 0.000 0.300 50 N C -0.937 174.635 175.510 0.102 0.000 1.242 50 N CA -0.012 53.077 53.050 0.064 0.000 1.192 50 N CB -0.088 38.435 38.487 0.060 0.000 1.463 50 N HN 0.321 nan 8.380 nan 0.000 0.539 51 I N 1.835 122.446 120.570 0.069 0.000 2.582 51 I HA 0.307 4.484 4.170 0.012 0.000 0.292 51 I C -0.250 175.886 176.117 0.033 0.000 1.066 51 I CA -1.200 60.141 61.300 0.069 0.000 1.053 51 I CB 1.907 39.920 38.000 0.022 0.000 1.241 51 I HN -0.078 nan 8.210 nan 0.000 0.421 52 V N 1.494 121.408 119.914 -0.001 0.000 2.864 52 V HA 0.946 5.073 4.120 0.012 0.000 0.314 52 V C 0.051 176.121 176.094 -0.040 0.000 1.073 52 V CA -0.537 61.736 62.300 -0.045 0.000 0.956 52 V CB 1.637 33.369 31.823 -0.153 0.000 1.023 52 V HN 0.812 nan 8.190 nan 0.000 0.435 53 G N 1.365 110.153 108.800 -0.020 0.000 2.367 53 G HA2 0.685 4.652 3.960 0.012 0.000 0.314 53 G HA3 0.685 4.652 3.960 0.012 0.000 0.314 53 G C -0.215 174.577 174.900 -0.180 0.000 1.130 53 G CA 0.034 45.066 45.100 -0.113 0.000 0.864 53 G HN 1.404 nan 8.290 nan 0.000 0.486 54 T N -1.465 112.904 114.554 -0.308 0.000 2.900 54 T HA 0.509 4.866 4.350 0.012 0.000 0.295 54 T C -0.519 173.977 174.700 -0.340 0.000 1.044 54 T CA -0.726 61.278 62.100 -0.161 0.000 0.995 54 T CB 1.766 70.692 68.868 0.097 0.000 1.072 54 T HN 0.432 nan 8.240 nan 0.000 0.473 55 Y N 0.619 121.038 120.300 0.198 0.000 2.675 55 Y HA 0.466 5.024 4.550 0.012 0.000 0.248 55 Y C 1.059 177.083 175.900 0.207 0.000 1.161 55 Y CA -0.648 57.584 58.100 0.220 0.000 1.203 55 Y CB 0.612 39.142 38.460 0.116 0.000 1.262 55 Y HN 0.951 nan 8.280 nan 0.000 0.544 56 S N -1.751 114.049 115.700 0.166 0.000 2.651 56 S HA 0.361 4.838 4.470 0.012 0.000 0.279 56 S C 0.206 174.561 174.600 -0.408 0.000 1.148 56 S CA -0.722 57.448 58.200 -0.050 0.000 0.837 56 S CB 1.437 64.630 63.200 -0.010 0.000 1.138 56 S HN 0.005 nan 8.310 nan 0.000 0.478 57 I N 1.115 121.364 120.570 -0.534 0.000 2.439 57 I HA 0.015 4.192 4.170 0.012 0.000 0.251 57 I C 2.370 178.270 176.117 -0.361 0.000 1.139 57 I CA 1.397 62.397 61.300 -0.501 0.000 1.438 57 I CB -0.372 37.419 38.000 -0.349 0.000 1.085 57 I HN 0.946 nan 8.210 nan 0.000 0.427 58 E N 0.923 120.862 120.200 -0.434 0.000 2.017 58 E HA -0.301 4.056 4.350 0.012 0.000 0.193 58 E C 2.148 178.617 176.600 -0.219 0.000 0.997 58 E CA 2.025 58.133 56.400 -0.486 0.000 0.804 58 E CB -0.385 29.119 29.700 -0.326 0.000 0.757 58 E HN 0.541 nan 8.360 nan 0.000 0.448 59 E N -1.051 119.079 120.200 -0.116 0.000 2.070 59 E HA -0.235 4.122 4.350 0.012 0.000 0.197 59 E C 2.001 178.583 176.600 -0.030 0.000 1.004 59 E CA 1.393 57.770 56.400 -0.039 0.000 0.805 59 E CB -0.428 29.289 29.700 0.029 0.000 0.744 59 E HN 0.362 nan 8.360 nan 0.000 0.451 60 F N 0.952 120.790 119.950 -0.186 0.000 2.043 60 F HA -0.256 4.278 4.527 0.011 0.000 0.297 60 F C 2.145 177.872 175.800 -0.121 0.000 1.121 60 F CA 1.755 59.658 58.000 -0.162 0.000 1.199 60 F CB -0.677 38.179 39.000 -0.240 0.000 0.968 60 F HN -0.100 nan 8.300 nan 0.000 0.478 61 V N 1.028 120.853 119.914 -0.148 0.000 2.287 61 V HA -0.370 3.757 4.120 0.012 0.000 0.248 61 V C 1.938 177.922 176.094 -0.183 0.000 1.053 61 V CA 2.468 64.652 62.300 -0.193 0.000 1.027 61 V CB -1.043 30.754 31.823 -0.044 0.000 0.646 61 V HN 0.438 nan 8.190 nan 0.000 0.447 62 N N 0.167 118.787 118.700 -0.134 0.000 2.519 62 N HA -0.074 4.673 4.740 0.012 0.000 0.186 62 N C 1.459 176.910 175.510 -0.098 0.000 1.062 62 N CA 0.883 53.876 53.050 -0.096 0.000 0.910 62 N CB -0.129 38.316 38.487 -0.070 0.000 0.958 62 N HN 0.522 nan 8.380 nan 0.000 0.445 63 A N 0.383 123.120 122.820 -0.138 0.000 2.308 63 A HA 0.223 4.550 4.320 0.012 0.000 0.217 63 A C 0.559 178.108 177.584 -0.059 0.000 1.216 63 A CA -0.066 51.923 52.037 -0.081 0.000 0.864 63 A CB 0.264 19.192 19.000 -0.119 0.000 0.902 63 A HN 0.078 nan 8.150 nan 0.000 0.499 64 L N 0.990 122.123 121.223 -0.149 0.000 2.322 64 L HA 0.349 4.696 4.340 0.012 0.000 0.279 64 L C 0.200 177.025 176.870 -0.076 0.000 1.036 64 L CA -0.876 53.887 54.840 -0.129 0.000 0.807 64 L CB 1.611 43.528 42.059 -0.237 0.000 1.226 64 L HN 0.473 nan 8.230 nan 0.000 0.433 65 E N 2.159 122.331 120.200 -0.046 0.000 2.331 65 E HA 0.278 4.635 4.350 0.012 0.000 0.272 65 E C -1.112 175.468 176.600 -0.034 0.000 1.036 65 E CA -0.808 55.569 56.400 -0.037 0.000 0.864 65 E CB 1.033 30.718 29.700 -0.026 0.000 1.035 65 E HN 0.379 nan 8.360 nan 0.000 0.408 66 K N 2.798 123.183 120.400 -0.025 0.000 2.174 66 K HA 0.252 4.579 4.320 0.012 0.000 0.275 66 K C -2.005 174.590 176.600 -0.009 0.000 1.015 66 K CA -1.771 54.507 56.287 -0.015 0.000 0.933 66 K CB 0.465 32.961 32.500 -0.007 0.000 1.025 66 K HN 0.537 nan 8.250 nan 0.000 0.463 67 P HA 0.095 nan 4.420 nan 0.000 0.276 67 P C -0.822 176.474 177.300 -0.008 0.000 1.243 67 P CA -0.203 62.901 63.100 0.006 0.000 0.768 67 P CB 0.618 32.334 31.700 0.026 0.000 0.856 68 R N 2.591 123.085 120.500 -0.010 0.000 2.623 68 R HA 0.184 4.531 4.340 0.012 0.000 0.271 68 R C 0.318 176.606 176.300 -0.021 0.000 1.043 68 R CA 0.134 56.215 56.100 -0.032 0.000 1.083 68 R CB 0.422 30.694 30.300 -0.046 0.000 0.974 68 R HN 0.421 nan 8.270 nan 0.000 0.436 69 K N 3.143 123.517 120.400 -0.044 0.000 2.507 69 K HA 0.373 4.700 4.320 0.012 0.000 0.253 69 K C -0.711 175.883 176.600 -0.010 0.000 0.969 69 K CA -0.190 56.071 56.287 -0.044 0.000 0.908 69 K CB 1.199 33.642 32.500 -0.096 0.000 1.127 69 K HN 0.400 nan 8.250 nan 0.000 0.437 70 I N 4.240 124.837 120.570 0.045 0.000 2.389 70 I HA 0.285 4.462 4.170 0.012 0.000 0.288 70 I C -0.599 175.589 176.117 0.118 0.000 0.999 70 I CA -0.809 60.573 61.300 0.136 0.000 1.129 70 I CB 1.324 39.450 38.000 0.211 0.000 1.288 70 I HN 0.391 nan 8.210 nan 0.000 0.444 71 L N 7.016 128.318 121.223 0.131 0.000 2.282 71 L HA 0.462 4.809 4.340 0.012 0.000 0.288 71 L C -1.196 175.728 176.870 0.090 0.000 1.033 71 L CA -0.871 54.023 54.840 0.090 0.000 0.807 71 L CB 1.373 43.476 42.059 0.073 0.000 1.209 71 L HN 0.417 nan 8.230 nan 0.000 0.423 72 L N 6.327 127.592 121.223 0.071 0.000 2.287 72 L HA 0.431 4.778 4.340 0.012 0.000 0.287 72 L C 0.036 176.931 176.870 0.043 0.000 1.022 72 L CA 0.135 55.014 54.840 0.064 0.000 0.814 72 L CB 1.504 43.625 42.059 0.103 0.000 1.217 72 L HN 0.588 nan 8.230 nan 0.000 0.420 73 M N 5.362 124.968 119.600 0.010 0.000 3.404 73 M HA 0.246 4.733 4.480 0.012 0.000 0.398 73 M C -0.387 175.900 176.300 -0.022 0.000 1.599 73 M CA -0.194 55.103 55.300 -0.005 0.000 0.696 73 M CB 0.612 33.192 32.600 -0.033 0.000 1.427 73 M HN 0.291 nan 8.290 nan 0.000 0.502 74 V N -1.447 118.465 119.914 -0.002 0.000 3.211 74 V HA 0.582 4.709 4.120 0.012 0.000 0.319 74 V C 0.485 176.584 176.094 0.009 0.000 1.096 74 V CA -1.076 61.218 62.300 -0.010 0.000 1.029 74 V CB 1.641 33.463 31.823 -0.001 0.000 1.137 74 V HN 0.510 nan 8.190 nan 0.000 0.453 75 K N 1.469 121.871 120.400 0.004 0.000 2.484 75 K HA 0.383 4.710 4.320 0.012 0.000 0.280 75 K C 0.355 176.977 176.600 0.037 0.000 1.013 75 K CA 0.318 56.615 56.287 0.016 0.000 1.029 75 K CB 0.495 33.001 32.500 0.009 0.000 0.902 75 K HN 1.157 nan 8.250 nan 0.000 0.481 76 A N 3.476 126.329 122.820 0.055 0.000 2.483 76 A HA 0.461 4.788 4.320 0.012 0.000 0.238 76 A C 0.825 178.454 177.584 0.074 0.000 1.070 76 A CA 0.675 52.760 52.037 0.080 0.000 0.770 76 A CB -0.259 18.822 19.000 0.135 0.000 1.008 76 A HN 1.127 nan 8.150 nan 0.000 0.497 77 G N 0.075 108.914 108.800 0.065 0.000 2.464 77 G HA2 0.235 4.202 3.960 0.012 0.000 0.216 77 G HA3 0.235 4.202 3.960 0.012 0.000 0.216 77 G C 1.166 176.085 174.900 0.031 0.000 1.186 77 G CA 0.971 46.098 45.100 0.046 0.000 1.010 77 G HN 1.989 nan 8.290 nan 0.000 0.585 78 A N 0.743 123.576 122.820 0.023 0.000 1.917 78 A HA 0.124 4.451 4.320 0.012 0.000 0.219 78 A C 0.683 178.281 177.584 0.022 0.000 1.182 78 A CA 3.377 55.424 52.037 0.016 0.000 0.633 78 A CB -1.580 17.427 19.000 0.012 0.000 0.819 78 A HN 0.546 nan 8.150 nan 0.000 0.448 79 P HA -0.100 nan 4.420 nan 0.000 0.216 79 P C 1.431 178.752 177.300 0.036 0.000 1.150 79 P CA 1.774 64.890 63.100 0.025 0.000 0.837 79 P CB -0.253 31.458 31.700 0.018 0.000 0.786 80 T N -0.792 113.789 114.554 0.045 0.000 2.737 80 T HA -0.124 4.233 4.350 0.012 0.000 0.265 80 T C 1.453 176.190 174.700 0.062 0.000 1.038 80 T CA 1.382 63.522 62.100 0.066 0.000 1.144 80 T CB -0.941 67.979 68.868 0.086 0.000 0.866 80 T HN 0.155 nan 8.240 nan 0.000 0.434 81 D N 1.219 121.641 120.400 0.038 0.000 2.144 81 D HA -0.028 4.619 4.640 0.012 0.000 0.199 81 D C 2.330 178.643 176.300 0.021 0.000 0.984 81 D CA 1.167 55.178 54.000 0.017 0.000 0.834 81 D CB -0.181 40.619 40.800 -0.000 0.000 0.955 81 D HN 0.390 nan 8.370 nan 0.000 0.465 82 A N 0.322 123.158 122.820 0.027 0.000 1.969 82 A HA -0.110 4.217 4.320 0.012 0.000 0.218 82 A C 2.338 179.949 177.584 0.045 0.000 1.169 82 A CA 1.614 53.669 52.037 0.031 0.000 0.635 82 A CB -0.580 18.438 19.000 0.030 0.000 0.810 82 A HN 0.165 nan 8.150 nan 0.000 0.445 83 T N 0.216 114.803 114.554 0.055 0.000 2.857 83 T HA -0.012 4.345 4.350 0.012 0.000 0.266 83 T C 1.756 176.501 174.700 0.074 0.000 1.048 83 T CA 1.304 63.446 62.100 0.070 0.000 1.139 83 T CB -0.333 68.579 68.868 0.074 0.000 0.874 83 T HN 0.429 nan 8.240 nan 0.000 0.455 84 I N 1.070 121.683 120.570 0.072 0.000 2.252 84 I HA -0.128 4.049 4.170 0.012 0.000 0.245 84 I C 2.672 178.817 176.117 0.047 0.000 1.102 84 I CA 1.015 62.359 61.300 0.072 0.000 1.385 84 I CB -0.296 37.735 38.000 0.051 0.000 1.064 84 I HN 0.109 nan 8.210 nan 0.000 0.414 85 E N 0.811 121.029 120.200 0.029 0.000 2.085 85 E HA -0.266 4.091 4.350 0.012 0.000 0.194 85 E C 2.133 178.750 176.600 0.030 0.000 0.994 85 E CA 1.320 57.730 56.400 0.017 0.000 0.801 85 E CB -0.419 29.287 29.700 0.010 0.000 0.743 85 E HN 0.605 nan 8.360 nan 0.000 0.453 86 Q N -0.198 119.633 119.800 0.052 0.000 2.135 86 Q HA -0.129 4.218 4.340 0.012 0.000 0.204 86 Q C 2.037 178.114 176.000 0.129 0.000 0.981 86 Q CA 0.804 56.654 55.803 0.078 0.000 0.856 86 Q CB -0.029 28.750 28.738 0.068 0.000 0.902 86 Q HN 0.148 nan 8.270 nan 0.000 0.425 87 L N 0.902 122.195 121.223 0.115 0.000 2.156 87 L HA -0.109 4.238 4.340 0.012 0.000 0.208 87 L C 1.959 178.900 176.870 0.118 0.000 1.095 87 L CA 1.627 56.562 54.840 0.158 0.000 0.770 87 L CB -0.760 41.384 42.059 0.141 0.000 0.914 87 L HN 0.137 nan 8.230 nan 0.000 0.439 88 K N -0.231 120.195 120.400 0.044 0.000 2.063 88 K HA -0.178 4.149 4.320 0.012 0.000 0.208 88 K C -0.143 176.417 176.600 -0.066 0.000 1.048 88 K CA 1.595 57.880 56.287 -0.004 0.000 0.928 88 K CB -1.104 31.385 32.500 -0.019 0.000 0.713 88 K HN 0.302 nan 8.250 nan 0.000 0.442 89 P HA -0.139 nan 4.420 nan 0.000 0.218 89 P C 0.480 177.566 177.300 -0.357 0.000 1.148 89 P CA 1.487 64.387 63.100 -0.333 0.000 0.822 89 P CB 0.053 31.412 31.700 -0.569 0.000 0.784 90 H N -2.882 116.191 119.070 0.004 0.000 2.639 90 H HA 0.139 4.702 4.556 0.012 0.000 0.267 90 H C 0.630 175.959 175.328 0.002 0.000 0.958 90 H CA -0.545 55.504 56.048 0.002 0.000 1.221 90 H CB -0.333 29.430 29.762 0.003 0.000 1.446 90 H HN -0.038 nan 8.280 nan 0.000 0.512 91 L N 1.809 123.094 121.223 0.102 0.000 2.482 91 L HA 0.062 4.409 4.340 0.012 0.000 0.273 91 L C 0.536 177.424 176.870 0.030 0.000 1.228 91 L CA 0.449 55.327 54.840 0.063 0.000 0.827 91 L CB 0.205 42.297 42.059 0.054 0.000 1.099 91 L HN 0.376 nan 8.230 nan 0.000 0.494 92 E N 0.575 120.786 120.200 0.018 0.000 2.277 92 E HA 0.310 4.667 4.350 0.012 0.000 0.266 92 E C -0.778 175.816 176.600 -0.010 0.000 0.901 92 E CA -1.102 55.301 56.400 0.004 0.000 0.782 92 E CB 1.759 31.464 29.700 0.007 0.000 1.228 92 E HN 0.308 nan 8.360 nan 0.000 0.424 93 K N 0.332 120.720 120.400 -0.020 0.000 2.511 93 K HA 0.036 4.363 4.320 0.012 0.000 0.280 93 K C 0.818 177.399 176.600 -0.032 0.000 1.008 93 K CA 1.418 57.680 56.287 -0.042 0.000 1.050 93 K CB 0.169 32.651 32.500 -0.031 0.000 0.889 93 K HN 0.847 nan 8.250 nan 0.000 0.484 94 G N 2.587 111.341 108.800 -0.078 0.000 2.234 94 G HA2 -0.207 3.760 3.960 0.012 0.000 0.235 94 G HA3 -0.207 3.760 3.960 0.012 0.000 0.235 94 G C -0.176 174.774 174.900 0.084 0.000 0.997 94 G CA -0.104 45.005 45.100 0.016 0.000 0.623 94 G HN 0.648 nan 8.290 nan 0.000 0.514 95 D N 0.460 120.876 120.400 0.027 0.000 2.357 95 D HA 0.525 5.172 4.640 0.012 0.000 0.242 95 D C 0.813 177.179 176.300 0.111 0.000 1.153 95 D CA 0.327 54.364 54.000 0.061 0.000 0.918 95 D CB 0.905 41.728 40.800 0.038 0.000 1.181 95 D HN 0.363 nan 8.370 nan 0.000 0.435 96 I N 1.120 121.755 120.570 0.109 0.000 2.410 96 I HA 0.184 4.361 4.170 0.012 0.000 0.286 96 I C -0.481 175.693 176.117 0.095 0.000 1.009 96 I CA -0.916 60.461 61.300 0.129 0.000 1.111 96 I CB 1.764 39.806 38.000 0.070 0.000 1.262 96 I HN -0.126 nan 8.210 nan 0.000 0.443 97 V N 7.361 127.355 119.914 0.133 0.000 2.394 97 V HA 0.445 4.572 4.120 0.012 0.000 0.282 97 V C 0.085 176.142 176.094 -0.062 0.000 1.031 97 V CA -0.412 61.960 62.300 0.120 0.000 0.881 97 V CB 1.721 33.715 31.823 0.285 0.000 0.982 97 V HN 0.475 nan 8.190 nan 0.000 0.451 98 I N 3.587 124.114 120.570 -0.072 0.000 2.382 98 I HA 0.350 4.527 4.170 0.012 0.000 0.286 98 I C -0.548 175.489 176.117 -0.132 0.000 1.002 98 I CA -0.430 60.781 61.300 -0.148 0.000 1.135 98 I CB 1.637 39.648 38.000 0.018 0.000 1.288 98 I HN 0.497 nan 8.210 nan 0.000 0.448 99 D N 5.217 125.451 120.400 -0.276 0.000 2.411 99 D HA 0.242 4.889 4.640 0.012 0.000 0.225 99 D C 1.030 177.379 176.300 0.083 0.000 1.156 99 D CA -0.202 53.794 54.000 -0.008 0.000 0.874 99 D CB 1.503 42.401 40.800 0.162 0.000 1.034 99 D HN 0.700 nan 8.370 nan 0.000 0.502 100 G N 2.665 111.509 108.800 0.075 0.000 3.042 100 G HA2 0.195 4.162 3.960 0.012 0.000 0.212 100 G HA3 0.195 4.162 3.960 0.012 0.000 0.212 100 G C 0.883 175.857 174.900 0.124 0.000 1.166 100 G CA 0.030 45.172 45.100 0.071 0.000 0.767 100 G HN 0.568 nan 8.290 nan 0.000 0.546 101 G N 0.273 109.154 108.800 0.135 0.000 2.732 101 G HA2 0.176 4.143 3.960 0.012 0.000 0.244 101 G HA3 0.176 4.143 3.960 0.012 0.000 0.244 101 G C -0.091 174.874 174.900 0.108 0.000 1.226 101 G CA -0.571 44.586 45.100 0.095 0.000 0.860 101 G HN 0.139 nan 8.290 nan 0.000 0.583 102 N N 0.610 119.352 118.700 0.071 0.000 2.807 102 N HA 0.198 4.945 4.740 0.012 0.000 0.259 102 N C -0.216 175.384 175.510 0.150 0.000 1.149 102 N CA 0.217 53.323 53.050 0.093 0.000 1.042 102 N CB 0.728 39.241 38.487 0.043 0.000 1.367 102 N HN 0.260 nan 8.380 nan 0.000 0.516 103 T N 1.364 115.882 114.554 -0.061 0.000 2.859 103 T HA 0.141 4.498 4.350 0.012 0.000 0.281 103 T C -0.221 174.456 174.700 -0.038 0.000 1.005 103 T CA -0.401 61.622 62.100 -0.129 0.000 1.025 103 T CB 1.012 69.549 68.868 -0.552 0.000 0.977 103 T HN 0.229 nan 8.240 nan 0.000 0.458 104 Y N 4.602 124.744 120.300 -0.264 0.000 2.544 104 Y HA 0.167 4.724 4.550 0.013 0.000 0.330 104 Y C 1.128 176.884 175.900 -0.239 0.000 1.136 104 Y CA -1.594 56.169 58.100 -0.561 0.000 1.417 104 Y CB -0.030 37.885 38.460 -0.908 0.000 1.229 104 Y HN 0.701 nan 8.280 nan 0.000 0.532 105 F N 3.205 122.741 119.950 -0.689 0.000 2.236 105 F HA -0.146 4.388 4.527 0.012 0.000 0.302 105 F C 1.408 176.997 175.800 -0.352 0.000 1.073 105 F CA 1.500 59.289 58.000 -0.352 0.000 1.336 105 F CB -0.449 38.462 39.000 -0.148 0.000 1.040 105 F HN 0.392 nan 8.300 nan 0.000 0.507 106 K N 0.292 119.842 120.400 -1.418 0.000 2.228 106 K HA -0.084 4.243 4.320 0.012 0.000 0.202 106 K C 1.482 177.860 176.600 -0.370 0.000 1.051 106 K CA 1.036 56.766 56.287 -0.928 0.000 0.960 106 K CB -0.283 31.669 32.500 -0.914 0.000 0.743 106 K HN 0.298 nan 8.250 nan 0.000 0.458 107 D N 0.600 120.850 120.400 -0.249 0.000 2.117 107 D HA -0.102 4.545 4.640 0.012 0.000 0.198 107 D C 1.753 178.009 176.300 -0.074 0.000 0.982 107 D CA 1.302 55.237 54.000 -0.109 0.000 0.828 107 D CB -0.235 40.536 40.800 -0.048 0.000 0.967 107 D HN 0.094 nan 8.370 nan 0.000 0.464 108 T N 1.324 115.879 114.554 0.001 0.000 2.788 108 T HA -0.158 4.199 4.350 0.012 0.000 0.268 108 T C 1.997 176.752 174.700 0.091 0.000 1.044 108 T CA 1.018 63.238 62.100 0.201 0.000 1.139 108 T CB -0.151 68.959 68.868 0.403 0.000 0.867 108 T HN 0.248 nan 8.240 nan 0.000 0.454 109 Q N 0.376 120.179 119.800 0.005 0.000 2.096 109 Q HA -0.128 4.219 4.340 0.012 0.000 0.204 109 Q C 2.551 178.528 176.000 -0.037 0.000 0.982 109 Q CA 1.343 57.150 55.803 0.007 0.000 0.850 109 Q CB -0.159 28.557 28.738 -0.037 0.000 0.901 109 Q HN 0.432 nan 8.270 nan 0.000 0.422 110 R N 0.858 121.304 120.500 -0.089 0.000 2.062 110 R HA -0.114 4.233 4.340 0.012 0.000 0.231 110 R C 2.185 178.390 176.300 -0.158 0.000 1.136 110 R CA 1.298 57.337 56.100 -0.102 0.000 0.948 110 R CB 0.000 30.240 30.300 -0.100 0.000 0.845 110 R HN 0.078 nan 8.270 nan 0.000 0.430 111 R N 0.725 121.066 120.500 -0.265 0.000 2.096 111 R HA -0.171 4.176 4.340 0.012 0.000 0.240 111 R C 2.413 178.402 176.300 -0.517 0.000 1.139 111 R CA 1.888 57.685 56.100 -0.505 0.000 0.952 111 R CB -0.720 29.018 30.300 -0.937 0.000 0.854 111 R HN 0.430 nan 8.270 nan 0.000 0.436 112 N N 1.192 119.663 118.700 -0.381 0.000 2.061 112 N HA -0.229 4.518 4.740 0.012 0.000 0.193 112 N C 1.311 176.808 175.510 -0.022 0.000 1.030 112 N CA 1.741 54.761 53.050 -0.051 0.000 0.856 112 N CB 0.059 38.644 38.487 0.163 0.000 1.023 112 N HN 0.245 nan 8.380 nan 0.000 0.424 113 K N 0.630 121.010 120.400 -0.034 0.000 2.025 113 K HA -0.169 4.158 4.320 0.012 0.000 0.207 113 K C 2.088 178.664 176.600 -0.039 0.000 1.049 113 K CA 1.487 57.766 56.287 -0.014 0.000 0.933 113 K CB -0.253 32.241 32.500 -0.011 0.000 0.714 113 K HN 0.538 nan 8.250 nan 0.000 0.438 114 E N 1.481 121.633 120.200 -0.080 0.000 2.058 114 E HA -0.210 4.147 4.350 0.012 0.000 0.194 114 E C 2.062 178.620 176.600 -0.070 0.000 0.997 114 E CA 1.136 57.489 56.400 -0.079 0.000 0.801 114 E CB -0.355 29.283 29.700 -0.104 0.000 0.746 114 E HN 0.215 nan 8.360 nan 0.000 0.450 115 L N 0.720 121.890 121.223 -0.089 0.000 2.109 115 L HA -0.031 4.316 4.340 0.012 0.000 0.207 115 L C 2.857 179.712 176.870 -0.025 0.000 1.086 115 L CA 0.805 55.615 54.840 -0.050 0.000 0.760 115 L CB -0.481 41.560 42.059 -0.029 0.000 0.910 115 L HN 0.283 nan 8.230 nan 0.000 0.437 116 A N -0.296 122.522 122.820 -0.004 0.000 1.917 116 A HA -0.280 4.047 4.320 0.012 0.000 0.219 116 A C 2.292 179.869 177.584 -0.011 0.000 1.182 116 A CA 1.950 53.993 52.037 0.009 0.000 0.633 116 A CB -0.531 18.496 19.000 0.044 0.000 0.819 116 A HN 0.394 nan 8.150 nan 0.000 0.448 117 E N -0.080 120.112 120.200 -0.014 0.000 2.268 117 E HA -0.089 4.268 4.350 0.012 0.000 0.195 117 E C 1.653 178.239 176.600 -0.024 0.000 0.995 117 E CA 0.728 57.119 56.400 -0.015 0.000 0.836 117 E CB -0.137 29.553 29.700 -0.016 0.000 0.763 117 E HN 0.695 nan 8.360 nan 0.000 0.491 118 L N -1.060 120.144 121.223 -0.032 0.000 2.558 118 L HA 0.144 4.491 4.340 0.012 0.000 0.225 118 L C 1.453 178.292 176.870 -0.051 0.000 1.128 118 L CA 0.556 55.374 54.840 -0.037 0.000 0.868 118 L CB 0.105 42.142 42.059 -0.035 0.000 1.006 118 L HN 0.244 nan 8.230 nan 0.000 0.454 119 G N 0.672 109.430 108.800 -0.070 0.000 2.131 119 G HA2 -0.205 3.762 3.960 0.012 0.000 0.223 119 G HA3 -0.205 3.762 3.960 0.012 0.000 0.223 119 G C 0.033 174.795 174.900 -0.229 0.000 0.990 119 G CA -0.413 44.615 45.100 -0.121 0.000 0.671 119 G HN 0.120 nan 8.290 nan 0.000 0.521 120 I N 2.054 122.517 120.570 -0.177 0.000 2.377 120 I HA 0.403 4.580 4.170 0.012 0.000 0.293 120 I C 0.364 176.399 176.117 -0.137 0.000 0.987 120 I CA -1.420 59.782 61.300 -0.164 0.000 1.185 120 I CB 0.954 38.943 38.000 -0.019 0.000 1.341 120 I HN 0.070 nan 8.210 nan 0.000 0.455 121 H N 5.567 124.702 119.070 0.109 0.000 2.548 121 H HA 0.313 4.876 4.556 0.012 0.000 0.331 121 H C -1.027 174.431 175.328 0.216 0.000 1.093 121 H CA -0.153 55.977 56.048 0.136 0.000 1.367 121 H CB 1.579 31.392 29.762 0.085 0.000 1.455 121 H HN 0.393 nan 8.280 nan 0.000 0.519 122 F N 2.965 123.023 119.950 0.179 0.000 2.507 122 F HA 0.438 4.971 4.527 0.011 0.000 0.325 122 F C -0.930 174.948 175.800 0.130 0.000 1.116 122 F CA -0.847 57.231 58.000 0.131 0.000 0.930 122 F CB 0.867 39.925 39.000 0.097 0.000 1.146 122 F HN 0.354 nan 8.300 nan 0.000 0.447 123 I N 5.161 125.495 120.570 -0.394 0.000 2.410 123 I HA 0.409 4.586 4.170 0.012 0.000 0.286 123 I C 0.163 175.972 176.117 -0.513 0.000 1.009 123 I CA -0.776 60.376 61.300 -0.247 0.000 1.111 123 I CB 1.787 39.773 38.000 -0.022 0.000 1.262 123 I HN 0.758 nan 8.210 nan 0.000 0.443 124 G N 3.571 112.156 108.800 -0.357 0.000 2.320 124 G HA2 0.526 4.493 3.960 0.012 0.000 0.300 124 G HA3 0.526 4.493 3.960 0.012 0.000 0.300 124 G C -0.245 174.233 174.900 -0.703 0.000 1.126 124 G CA -0.228 44.645 45.100 -0.378 0.000 0.896 124 G HN 0.548 nan 8.290 nan 0.000 0.436 125 T N 0.222 114.338 114.554 -0.730 0.000 2.848 125 T HA 0.676 5.033 4.350 0.012 0.000 0.285 125 T C 0.420 174.837 174.700 -0.471 0.000 0.995 125 T CA -0.329 61.421 62.100 -0.584 0.000 0.970 125 T CB 1.768 70.373 68.868 -0.438 0.000 0.976 125 T HN 0.700 nan 8.240 nan 0.000 0.441 126 G N 1.708 110.290 108.800 -0.363 0.000 2.415 126 G HA2 0.553 4.520 3.960 0.012 0.000 0.269 126 G HA3 0.553 4.520 3.960 0.012 0.000 0.269 126 G C -0.845 173.957 174.900 -0.163 0.000 1.209 126 G CA -0.580 44.445 45.100 -0.124 0.000 0.835 126 G HN 0.912 nan 8.290 nan 0.000 0.534 127 V N 1.159 121.010 119.914 -0.104 0.000 2.483 127 V HA 0.579 4.706 4.120 0.012 0.000 0.297 127 V C 0.031 176.054 176.094 -0.118 0.000 1.027 127 V CA -0.682 61.547 62.300 -0.120 0.000 0.855 127 V CB 1.460 33.233 31.823 -0.083 0.000 0.995 127 V HN 0.789 nan 8.190 nan 0.000 0.424 128 S N 2.494 118.100 115.700 -0.158 0.000 2.600 128 S HA 0.858 5.335 4.470 0.012 0.000 0.300 128 S C 0.643 175.169 174.600 -0.122 0.000 1.087 128 S CA 0.508 58.596 58.200 -0.186 0.000 0.965 128 S CB 1.778 64.722 63.200 -0.427 0.000 1.089 128 S HN 1.555 nan 8.310 nan 0.000 0.496 129 G N 1.018 109.763 108.800 -0.093 0.000 2.370 129 G HA2 0.305 4.272 3.960 0.012 0.000 0.174 129 G HA3 0.305 4.272 3.960 0.012 0.000 0.174 129 G C 0.994 175.852 174.900 -0.070 0.000 1.002 129 G CA 0.316 45.357 45.100 -0.098 0.000 0.730 129 G HN 1.896 nan 8.290 nan 0.000 0.497 130 G N 0.116 108.895 108.800 -0.035 0.000 2.698 130 G HA2 -0.149 3.818 3.960 0.012 0.000 0.233 130 G HA3 -0.149 3.818 3.960 0.012 0.000 0.233 130 G C 0.549 175.439 174.900 -0.017 0.000 1.352 130 G CA 0.769 45.860 45.100 -0.014 0.000 0.879 130 G HN 0.739 nan 8.290 nan 0.000 0.567 131 E N -0.437 119.760 120.200 -0.006 0.000 2.077 131 E HA -0.083 4.274 4.350 0.012 0.000 0.193 131 E C 2.271 178.871 176.600 0.001 0.000 0.989 131 E CA 1.483 57.881 56.400 -0.003 0.000 0.800 131 E CB -0.049 29.652 29.700 0.003 0.000 0.746 131 E HN 0.520 nan 8.360 nan 0.000 0.452 132 E N 0.354 120.555 120.200 0.003 0.000 2.072 132 E HA -0.119 4.238 4.350 0.012 0.000 0.191 132 E C 1.989 178.582 176.600 -0.011 0.000 0.985 132 E CA 1.452 57.855 56.400 0.005 0.000 0.801 132 E CB -0.529 29.181 29.700 0.017 0.000 0.750 132 E HN 0.248 nan 8.360 nan 0.000 0.452 133 G N 0.495 109.274 108.800 -0.036 0.000 2.459 133 G HA2 -0.286 3.681 3.960 0.012 0.000 0.217 133 G HA3 -0.286 3.681 3.960 0.012 0.000 0.217 133 G C 1.747 176.633 174.900 -0.024 0.000 1.183 133 G CA 1.401 46.474 45.100 -0.046 0.000 0.776 133 G HN 0.458 nan 8.290 nan 0.000 0.552 134 A N 0.268 123.075 122.820 -0.020 0.000 1.948 134 A HA -0.053 4.274 4.320 0.012 0.000 0.220 134 A C 2.338 179.927 177.584 0.009 0.000 1.177 134 A CA 1.727 53.758 52.037 -0.010 0.000 0.636 134 A CB -0.410 18.582 19.000 -0.014 0.000 0.815 134 A HN 0.381 nan 8.150 nan 0.000 0.449 135 L N -1.273 119.959 121.223 0.015 0.000 2.095 135 L HA 0.003 4.350 4.340 0.012 0.000 0.204 135 L C 1.893 178.783 176.870 0.034 0.000 1.080 135 L CA 2.150 57.009 54.840 0.033 0.000 0.759 135 L CB -0.565 41.515 42.059 0.035 0.000 0.914 135 L HN 0.416 nan 8.230 nan 0.000 0.439 136 K N -1.212 119.201 120.400 0.022 0.000 2.335 136 K HA 0.253 4.580 4.320 0.012 0.000 0.195 136 K C 0.268 176.881 176.600 0.021 0.000 1.058 136 K CA 0.572 56.873 56.287 0.024 0.000 0.988 136 K CB 0.865 33.377 32.500 0.019 0.000 0.880 136 K HN 0.358 nan 8.250 nan 0.000 0.513 137 G N 3.228 112.035 108.800 0.011 0.000 2.681 137 G HA2 0.024 3.991 3.960 0.012 0.000 0.210 137 G HA3 0.024 3.991 3.960 0.012 0.000 0.210 137 G C -3.299 171.593 174.900 -0.013 0.000 3.399 137 G CA -0.809 44.296 45.100 0.008 0.000 0.649 137 G HN -0.206 nan 8.290 nan 0.000 0.428 138 P HA 0.540 nan 4.420 nan 0.000 0.280 138 P C 0.116 177.390 177.300 -0.044 0.000 1.272 138 P CA -0.377 62.697 63.100 -0.044 0.000 0.819 138 P CB 1.821 33.490 31.700 -0.052 0.000 1.122 139 S N 0.071 115.733 115.700 -0.063 0.000 2.513 139 S HA 0.475 4.952 4.470 0.012 0.000 0.276 139 S C -0.208 174.324 174.600 -0.115 0.000 1.254 139 S CA -0.589 57.578 58.200 -0.055 0.000 1.053 139 S CB -0.893 62.297 63.200 -0.017 0.000 0.958 139 S HN 0.195 nan 8.310 nan 0.000 0.491 140 I N 5.208 125.689 120.570 -0.148 0.000 2.406 140 I HA 0.366 4.543 4.170 0.012 0.000 0.290 140 I C -0.327 175.608 176.117 -0.304 0.000 0.999 140 I CA -0.231 60.897 61.300 -0.286 0.000 1.124 140 I CB 1.782 39.531 38.000 -0.419 0.000 1.289 140 I HN 0.557 nan 8.210 nan 0.000 0.441 141 M N 8.289 127.691 119.600 -0.331 0.000 2.386 141 M HA 0.341 4.828 4.480 0.012 0.000 0.245 141 M C -2.738 173.335 176.300 -0.377 0.000 0.982 141 M CA -1.501 53.624 55.300 -0.292 0.000 0.860 141 M CB 0.832 33.315 32.600 -0.194 0.000 1.371 141 M HN 0.137 nan 8.290 nan 0.000 0.425 142 P HA 0.530 nan 4.420 nan 0.000 0.294 142 P C -0.418 176.669 177.300 -0.354 0.000 1.294 142 P CA -0.048 62.852 63.100 -0.333 0.000 0.827 142 P CB 1.934 33.547 31.700 -0.146 0.000 0.992 143 G N 0.532 109.127 108.800 -0.342 0.000 2.563 143 G HA2 0.775 4.742 3.960 0.012 0.000 0.302 143 G HA3 0.775 4.742 3.960 0.012 0.000 0.302 143 G C -0.596 174.225 174.900 -0.133 0.000 1.301 143 G CA -0.713 44.157 45.100 -0.383 0.000 0.965 143 G HN 0.782 nan 8.290 nan 0.000 0.480 144 G N -0.853 107.939 108.800 -0.013 0.000 2.334 144 G HA2 0.262 4.229 3.960 0.012 0.000 0.249 144 G HA3 0.262 4.229 3.960 0.012 0.000 0.249 144 G C -0.863 174.181 174.900 0.241 0.000 1.327 144 G CA -0.585 44.595 45.100 0.133 0.000 0.979 144 G HN 0.753 nan 8.290 nan 0.000 0.471 145 Q N 0.245 120.164 119.800 0.198 0.000 2.311 145 Q HA 0.250 4.597 4.340 0.012 0.000 0.272 145 Q C 1.482 177.518 176.000 0.060 0.000 1.012 145 Q CA 0.130 56.013 55.803 0.134 0.000 0.891 145 Q CB 1.211 30.013 28.738 0.107 0.000 1.201 145 Q HN 0.573 nan 8.270 nan 0.000 0.391 146 K N 3.517 123.866 120.400 -0.086 0.000 2.063 146 K HA -0.197 4.130 4.320 0.012 0.000 0.208 146 K C 1.327 177.804 176.600 -0.204 0.000 1.048 146 K CA 1.872 57.918 56.287 -0.401 0.000 0.928 146 K CB 0.206 32.398 32.500 -0.512 0.000 0.713 146 K HN 0.589 nan 8.250 nan 0.000 0.442 147 E N 0.138 120.241 120.200 -0.162 0.000 2.110 147 E HA -0.145 4.212 4.350 0.012 0.000 0.193 147 E C 2.008 178.476 176.600 -0.220 0.000 0.988 147 E CA 1.270 57.569 56.400 -0.168 0.000 0.804 147 E CB -0.402 29.206 29.700 -0.154 0.000 0.745 147 E HN 0.456 nan 8.360 nan 0.000 0.458 148 A N 1.464 124.114 122.820 -0.284 0.000 1.902 148 A HA -0.216 4.111 4.320 0.012 0.000 0.217 148 A C 2.148 179.662 177.584 -0.117 0.000 1.181 148 A CA 1.706 53.564 52.037 -0.298 0.000 0.623 148 A CB -0.832 18.018 19.000 -0.249 0.000 0.818 148 A HN 0.378 nan 8.150 nan 0.000 0.443 149 H N -0.319 118.691 119.070 -0.099 0.000 2.353 149 H HA -0.160 4.404 4.556 0.013 0.000 0.300 149 H C 1.972 177.248 175.328 -0.086 0.000 1.090 149 H CA 2.046 58.084 56.048 -0.017 0.000 1.327 149 H CB -0.058 29.768 29.762 0.108 0.000 1.383 149 H HN 0.487 nan 8.280 nan 0.000 0.508 150 E N 1.012 121.101 120.200 -0.186 0.000 2.160 150 E HA -0.103 4.254 4.350 0.012 0.000 0.195 150 E C 2.576 179.030 176.600 -0.243 0.000 0.991 150 E CA 0.914 57.186 56.400 -0.214 0.000 0.810 150 E CB -0.368 29.262 29.700 -0.116 0.000 0.742 150 E HN 0.571 nan 8.360 nan 0.000 0.466 151 L N -0.273 120.813 121.223 -0.229 0.000 2.217 151 L HA -0.042 4.305 4.340 0.012 0.000 0.211 151 L C 2.136 178.835 176.870 -0.285 0.000 1.107 151 L CA 1.173 55.889 54.840 -0.207 0.000 0.783 151 L CB -0.442 41.519 42.059 -0.164 0.000 0.919 151 L HN 0.189 nan 8.230 nan 0.000 0.442 152 V N -4.275 115.388 119.914 -0.419 0.000 3.643 152 V HA 0.103 4.230 4.120 0.012 0.000 0.280 152 V C 2.364 177.955 176.094 -0.838 0.000 1.351 152 V CA 0.101 62.013 62.300 -0.647 0.000 1.073 152 V CB -0.122 31.244 31.823 -0.762 0.000 0.863 152 V HN 0.273 nan 8.190 nan 0.000 0.436 153 R N 2.008 122.121 120.500 -0.645 0.000 2.096 153 R HA -0.095 4.252 4.340 0.012 0.000 0.240 153 R C -0.097 176.073 176.300 -0.216 0.000 1.139 153 R CA 2.514 58.348 56.100 -0.443 0.000 0.952 153 R CB -1.335 28.703 30.300 -0.437 0.000 0.854 153 R HN 0.541 nan 8.270 nan 0.000 0.436 154 P HA -0.128 nan 4.420 nan 0.000 0.218 154 P C 1.178 178.439 177.300 -0.065 0.000 1.149 154 P CA 1.280 64.334 63.100 -0.078 0.000 0.817 154 P CB -0.064 31.611 31.700 -0.042 0.000 0.785 155 I N -1.376 119.050 120.570 -0.241 0.000 2.233 155 I HA -0.173 4.004 4.170 0.012 0.000 0.243 155 I C 2.396 178.457 176.117 -0.094 0.000 1.093 155 I CA 1.328 62.433 61.300 -0.326 0.000 1.380 155 I CB -1.274 36.362 38.000 -0.607 0.000 1.067 155 I HN -0.232 nan 8.210 nan 0.000 0.413 156 F N 1.329 121.208 119.950 -0.118 0.000 2.095 156 F HA -0.198 4.335 4.527 0.011 0.000 0.298 156 F C 2.567 178.350 175.800 -0.029 0.000 1.104 156 F CA 1.338 59.296 58.000 -0.070 0.000 1.232 156 F CB -1.260 37.706 39.000 -0.056 0.000 0.987 156 F HN 0.191 nan 8.300 nan 0.000 0.475 157 E N -0.129 120.176 120.200 0.174 0.000 2.153 157 E HA -0.160 4.197 4.350 0.012 0.000 0.194 157 E C 2.398 179.055 176.600 0.094 0.000 0.988 157 E CA 0.941 57.407 56.400 0.111 0.000 0.811 157 E CB -0.318 29.430 29.700 0.080 0.000 0.746 157 E HN 0.342 nan 8.360 nan 0.000 0.466 158 A N 1.727 124.608 122.820 0.101 0.000 1.858 158 A HA -0.180 4.147 4.320 0.012 0.000 0.216 158 A C 2.291 179.941 177.584 0.110 0.000 1.190 158 A CA 1.658 53.768 52.037 0.123 0.000 0.617 158 A CB -0.700 18.426 19.000 0.210 0.000 0.827 158 A HN 0.375 nan 8.150 nan 0.000 0.443 159 I N -2.996 117.638 120.570 0.106 0.000 3.030 159 I HA 0.391 4.568 4.170 0.012 0.000 0.270 159 I C 1.242 177.400 176.117 0.067 0.000 1.211 159 I CA 0.241 61.594 61.300 0.089 0.000 1.479 159 I CB -0.374 37.678 38.000 0.086 0.000 1.105 159 I HN 0.183 nan 8.210 nan 0.000 0.447 160 A N 2.010 124.872 122.820 0.069 0.000 2.466 160 A HA 0.627 4.954 4.320 0.012 0.000 0.238 160 A C 0.838 178.443 177.584 0.036 0.000 1.074 160 A CA 0.095 52.155 52.037 0.040 0.000 0.774 160 A CB -0.121 18.901 19.000 0.037 0.000 1.015 160 A HN 0.542 nan 8.150 nan 0.000 0.498 161 A N 1.589 124.422 122.820 0.022 0.000 2.507 161 A HA 0.414 4.741 4.320 0.012 0.000 0.235 161 A C 0.427 178.031 177.584 0.034 0.000 1.070 161 A CA 0.323 52.375 52.037 0.025 0.000 0.768 161 A CB 0.044 19.054 19.000 0.016 0.000 1.011 161 A HN 0.709 nan 8.150 nan 0.000 0.502 162 K N 1.089 121.511 120.400 0.036 0.000 2.292 162 K HA 0.515 4.842 4.320 0.012 0.000 0.257 162 K C -1.511 175.114 176.600 0.041 0.000 0.940 162 K CA -0.591 55.719 56.287 0.039 0.000 0.811 162 K CB 2.111 34.633 32.500 0.037 0.000 1.120 162 K HN 0.399 nan 8.250 nan 0.000 0.428 163 V N 3.381 123.322 119.914 0.044 0.000 2.334 163 V HA 0.081 4.208 4.120 0.012 0.000 0.281 163 V C -0.248 175.871 176.094 0.041 0.000 1.016 163 V CA -0.749 61.580 62.300 0.048 0.000 0.832 163 V CB 1.006 32.864 31.823 0.058 0.000 0.999 163 V HN 0.855 nan 8.190 nan 0.000 0.439 164 D N 4.539 124.961 120.400 0.037 0.000 2.697 164 D HA -0.206 4.441 4.640 0.012 0.000 0.235 164 D C 1.325 177.642 176.300 0.028 0.000 1.167 164 D CA 1.480 55.499 54.000 0.031 0.000 0.656 164 D CB -0.950 39.867 40.800 0.029 0.000 1.025 164 D HN 1.404 nan 8.370 nan 0.000 0.419 165 G N -0.201 108.616 108.800 0.029 0.000 2.179 165 G HA2 -0.351 3.616 3.960 0.012 0.000 0.260 165 G HA3 -0.351 3.616 3.960 0.012 0.000 0.260 165 G C 0.116 175.034 174.900 0.030 0.000 0.977 165 G CA 0.588 45.705 45.100 0.028 0.000 0.641 165 G HN 0.507 nan 8.290 nan 0.000 0.533 166 E N 1.288 121.507 120.200 0.032 0.000 2.114 166 E HA 0.580 4.937 4.350 0.012 0.000 0.266 166 E C -2.400 174.222 176.600 0.037 0.000 0.896 166 E CA -2.485 53.934 56.400 0.033 0.000 0.750 166 E CB 1.393 31.112 29.700 0.031 0.000 1.121 166 E HN 0.120 nan 8.360 nan 0.000 0.413 167 P HA -0.053 nan 4.420 nan 0.000 0.262 167 P C -0.294 177.028 177.300 0.038 0.000 1.182 167 P CA 0.013 63.139 63.100 0.044 0.000 0.761 167 P CB 0.425 32.157 31.700 0.054 0.000 0.795 168 C N 3.546 122.866 119.300 0.034 0.000 3.305 168 C HA 0.311 4.778 4.460 0.012 0.000 0.566 168 C C 0.987 175.978 174.990 0.001 0.000 1.178 168 C CA 0.593 59.627 59.018 0.026 0.000 1.317 168 C CB -1.977 25.786 27.740 0.038 0.000 1.634 168 C HN 0.551 nan 8.230 nan 0.000 0.643 169 T N -0.174 114.382 114.554 0.004 0.000 2.885 169 T HA 0.602 4.959 4.350 0.012 0.000 0.322 169 T C -0.995 173.717 174.700 0.019 0.000 1.387 169 T CA -0.080 62.012 62.100 -0.014 0.000 1.041 169 T CB 2.031 70.902 68.868 0.005 0.000 1.287 169 T HN 0.339 nan 8.240 nan 0.000 0.491 170 T N 1.697 116.249 114.554 -0.004 0.000 2.830 170 T HA 0.443 4.800 4.350 0.012 0.000 0.322 170 T C -1.906 172.763 174.700 -0.053 0.000 1.501 170 T CA -0.534 61.578 62.100 0.019 0.000 1.036 170 T CB 0.923 69.764 68.868 -0.045 0.000 1.379 170 T HN 0.594 nan 8.240 nan 0.000 0.493 171 Y N 5.117 125.246 120.300 -0.286 0.000 2.677 171 Y HA 0.221 4.777 4.550 0.009 0.000 0.335 171 Y C 1.052 176.740 175.900 -0.353 0.000 1.162 171 Y CA -0.305 57.440 58.100 -0.591 0.000 1.483 171 Y CB 0.003 38.048 38.460 -0.692 0.000 1.209 171 Y HN 0.535 nan 8.280 nan 0.000 0.528 172 I N 4.436 124.506 120.570 -0.835 0.000 2.260 172 I HA 0.168 4.345 4.170 0.012 0.000 0.237 172 I C 1.361 176.948 176.117 -0.884 0.000 1.075 172 I CA 1.568 62.447 61.300 -0.702 0.000 1.376 172 I CB -1.203 36.450 38.000 -0.579 0.000 1.107 172 I HN 0.761 nan 8.210 nan 0.000 0.420 173 G N 0.246 108.320 108.800 -1.210 0.000 2.428 173 G HA2 0.403 4.370 3.960 0.012 0.000 0.304 173 G HA3 0.403 4.370 3.960 0.012 0.000 0.304 173 G C -3.059 171.438 174.900 -0.671 0.000 1.303 173 G CA -0.490 44.087 45.100 -0.871 0.000 0.825 173 G HN -0.135 nan 8.290 nan 0.000 0.484 174 P HA 0.288 nan 4.420 nan 0.000 0.275 174 P C 0.462 177.703 177.300 -0.098 0.000 1.266 174 P CA 0.773 63.866 63.100 -0.013 0.000 0.793 174 P CB 0.773 32.579 31.700 0.175 0.000 1.074 175 D N 0.099 120.534 120.400 0.059 0.000 4.187 175 D HA -0.297 4.350 4.640 0.012 0.000 0.202 175 D C 1.185 177.494 176.300 0.016 0.000 0.687 175 D CA 2.095 56.160 54.000 0.108 0.000 1.000 175 D CB -2.037 38.882 40.800 0.198 0.000 0.446 175 D HN 0.559 nan 8.370 nan 0.000 0.398 176 G N -0.819 107.997 108.800 0.027 0.000 3.434 176 G HA2 0.492 4.459 3.960 0.012 0.000 0.258 176 G HA3 0.492 4.459 3.960 0.012 0.000 0.258 176 G C 1.200 175.870 174.900 -0.382 0.000 1.128 176 G CA 0.675 45.789 45.100 0.024 0.000 0.792 176 G HN 0.783 nan 8.290 nan 0.000 0.539 177 A N 0.611 122.827 122.820 -1.007 0.000 1.972 177 A HA 0.162 4.489 4.320 0.012 0.000 0.219 177 A C 2.502 179.637 177.584 -0.749 0.000 1.169 177 A CA 1.942 53.014 52.037 -1.609 0.000 0.635 177 A CB -0.471 17.472 19.000 -1.760 0.000 0.810 177 A HN 0.423 nan 8.150 nan 0.000 0.446 178 G N -1.231 107.247 108.800 -0.537 0.000 2.394 178 G HA2 -0.179 3.788 3.960 0.012 0.000 0.214 178 G HA3 -0.179 3.788 3.960 0.012 0.000 0.214 178 G C 1.383 176.129 174.900 -0.257 0.000 1.176 178 G CA 1.065 45.919 45.100 -0.411 0.000 0.786 178 G HN 0.734 nan 8.290 nan 0.000 0.533 179 H N -1.904 117.089 119.070 -0.128 0.000 2.456 179 H HA -0.041 4.522 4.556 0.012 0.000 0.296 179 H C 2.126 177.449 175.328 -0.009 0.000 1.079 179 H CA 1.114 57.150 56.048 -0.020 0.000 1.322 179 H CB -0.009 29.785 29.762 0.054 0.000 1.388 179 H HN 0.426 nan 8.280 nan 0.000 0.538 180 Y N 0.598 120.840 120.300 -0.097 0.000 2.114 180 Y HA -0.253 4.305 4.550 0.014 0.000 0.284 180 Y C 2.351 178.179 175.900 -0.119 0.000 1.143 180 Y CA 1.308 59.274 58.100 -0.224 0.000 1.135 180 Y CB -0.360 37.833 38.460 -0.445 0.000 0.980 180 Y HN -0.048 nan 8.280 nan 0.000 0.499 181 V N 0.613 120.533 119.914 0.010 0.000 2.407 181 V HA -0.287 3.840 4.120 0.012 0.000 0.248 181 V C 2.287 178.433 176.094 0.087 0.000 1.055 181 V CA 2.154 64.480 62.300 0.044 0.000 1.049 181 V CB -0.714 31.096 31.823 -0.021 0.000 0.662 181 V HN 0.254 nan 8.190 nan 0.000 0.455 182 K N 0.611 121.034 120.400 0.039 0.000 2.026 182 K HA -0.174 4.153 4.320 0.012 0.000 0.208 182 K C 2.144 178.777 176.600 0.054 0.000 1.048 182 K CA 1.994 58.313 56.287 0.052 0.000 0.929 182 K CB -0.576 31.962 32.500 0.063 0.000 0.713 182 K HN 0.413 nan 8.250 nan 0.000 0.439 183 M N -0.110 119.500 119.600 0.016 0.000 2.073 183 M HA -0.201 4.286 4.480 0.012 0.000 0.258 183 M C 1.723 177.940 176.300 -0.138 0.000 1.070 183 M CA 2.055 57.341 55.300 -0.023 0.000 1.103 183 M CB -0.148 32.413 32.600 -0.064 0.000 1.321 183 M HN 0.048 nan 8.290 nan 0.000 0.405 184 V N 0.164 119.947 119.914 -0.218 0.000 2.407 184 V HA -0.314 3.813 4.120 0.012 0.000 0.248 184 V C 2.623 178.598 176.094 -0.197 0.000 1.055 184 V CA 2.249 64.422 62.300 -0.212 0.000 1.049 184 V CB -1.491 30.222 31.823 -0.183 0.000 0.662 184 V HN 0.643 nan 8.190 nan 0.000 0.455 185 H N 0.843 119.767 119.070 -0.242 0.000 2.353 185 H HA -0.236 4.327 4.556 0.011 0.000 0.298 185 H C 2.234 177.377 175.328 -0.308 0.000 1.103 185 H CA 2.297 58.089 56.048 -0.427 0.000 1.293 185 H CB -0.293 29.174 29.762 -0.491 0.000 1.372 185 H HN 0.547 nan 8.280 nan 0.000 0.501 186 N N -0.102 118.502 118.700 -0.160 0.000 2.188 186 N HA -0.106 4.641 4.740 0.012 0.000 0.184 186 N C 2.181 177.487 175.510 -0.340 0.000 1.018 186 N CA 0.797 53.734 53.050 -0.188 0.000 0.858 186 N CB -0.150 38.255 38.487 -0.138 0.000 0.989 186 N HN 0.428 nan 8.380 nan 0.000 0.426 187 G N 1.709 110.296 108.800 -0.354 0.000 2.453 187 G HA2 -0.197 3.770 3.960 0.012 0.000 0.215 187 G HA3 -0.197 3.770 3.960 0.012 0.000 0.215 187 G C 1.565 176.293 174.900 -0.287 0.000 1.201 187 G CA 0.588 45.474 45.100 -0.357 0.000 0.784 187 G HN 0.260 nan 8.290 nan 0.000 0.545 188 I N 0.850 121.209 120.570 -0.353 0.000 2.248 188 I HA -0.238 3.939 4.170 0.012 0.000 0.248 188 I C 2.699 178.634 176.117 -0.303 0.000 1.107 188 I CA 1.697 62.747 61.300 -0.416 0.000 1.373 188 I CB -0.215 37.405 38.000 -0.634 0.000 1.055 188 I HN 0.377 nan 8.210 nan 0.000 0.418 189 E N 0.539 120.558 120.200 -0.302 0.000 2.077 189 E HA -0.251 4.106 4.350 0.012 0.000 0.193 189 E C 2.276 178.885 176.600 0.016 0.000 0.989 189 E CA 1.466 57.773 56.400 -0.155 0.000 0.800 189 E CB -0.097 29.488 29.700 -0.192 0.000 0.746 189 E HN 0.429 nan 8.360 nan 0.000 0.452 190 Y N 0.445 120.626 120.300 -0.199 0.000 2.145 190 Y HA -0.062 4.496 4.550 0.012 0.000 0.286 190 Y C 2.532 178.347 175.900 -0.141 0.000 1.145 190 Y CA 1.307 59.309 58.100 -0.165 0.000 1.148 190 Y CB -1.132 37.212 38.460 -0.193 0.000 0.981 190 Y HN 0.184 nan 8.280 nan 0.000 0.507 191 G N -0.212 108.595 108.800 0.011 0.000 2.476 191 G HA2 -0.294 3.673 3.960 0.012 0.000 0.218 191 G HA3 -0.294 3.673 3.960 0.012 0.000 0.218 191 G C 1.354 176.248 174.900 -0.010 0.000 1.164 191 G CA 1.516 46.595 45.100 -0.036 0.000 0.768 191 G HN 0.296 nan 8.290 nan 0.000 0.560 192 D N 0.163 120.561 120.400 -0.004 0.000 2.117 192 D HA -0.024 4.623 4.640 0.012 0.000 0.198 192 D C 2.687 179.012 176.300 0.043 0.000 0.982 192 D CA 0.739 54.765 54.000 0.044 0.000 0.828 192 D CB -0.261 40.584 40.800 0.075 0.000 0.967 192 D HN 0.321 nan 8.370 nan 0.000 0.464 193 M N -0.074 119.528 119.600 0.004 0.000 2.175 193 M HA -0.182 4.305 4.480 0.012 0.000 0.264 193 M C 2.155 178.456 176.300 0.001 0.000 1.063 193 M CA 1.124 56.414 55.300 -0.016 0.000 1.119 193 M CB -0.082 32.464 32.600 -0.091 0.000 1.377 193 M HN -0.099 nan 8.290 nan 0.000 0.415 194 Q N 1.185 120.978 119.800 -0.012 0.000 2.050 194 Q HA -0.096 4.251 4.340 0.012 0.000 0.202 194 Q C 1.728 177.760 176.000 0.053 0.000 0.980 194 Q CA 1.817 57.621 55.803 0.002 0.000 0.840 194 Q CB -0.518 28.208 28.738 -0.020 0.000 0.898 194 Q HN 0.548 nan 8.270 nan 0.000 0.424 195 L N -0.317 120.943 121.223 0.062 0.000 2.191 195 L HA -0.114 4.233 4.340 0.012 0.000 0.212 195 L C 2.303 179.272 176.870 0.165 0.000 1.103 195 L CA 0.739 55.634 54.840 0.092 0.000 0.769 195 L CB -0.345 41.754 42.059 0.066 0.000 0.908 195 L HN 0.278 nan 8.230 nan 0.000 0.438 196 I N -0.310 120.373 120.570 0.189 0.000 2.233 196 I HA -0.236 3.941 4.170 0.012 0.000 0.243 196 I C 2.813 179.154 176.117 0.373 0.000 1.093 196 I CA 1.024 62.513 61.300 0.315 0.000 1.380 196 I CB -0.391 37.751 38.000 0.237 0.000 1.067 196 I HN 0.176 nan 8.210 nan 0.000 0.413 197 A N 0.574 123.551 122.820 0.262 0.000 1.892 197 A HA -0.277 4.050 4.320 0.012 0.000 0.218 197 A C 2.186 179.957 177.584 0.313 0.000 1.188 197 A CA 2.016 54.242 52.037 0.315 0.000 0.631 197 A CB -0.693 18.396 19.000 0.148 0.000 0.822 197 A HN 0.455 nan 8.150 nan 0.000 0.447 198 E N -0.476 119.855 120.200 0.218 0.000 2.051 198 E HA -0.121 4.236 4.350 0.012 0.000 0.192 198 E C 2.379 179.144 176.600 0.276 0.000 0.991 198 E CA 1.003 57.529 56.400 0.209 0.000 0.799 198 E CB -0.318 29.466 29.700 0.139 0.000 0.748 198 E HN 0.630 nan 8.360 nan 0.000 0.449 199 A N 1.028 124.036 122.820 0.313 0.000 1.883 199 A HA -0.245 4.082 4.320 0.012 0.000 0.217 199 A C 2.108 179.941 177.584 0.416 0.000 1.186 199 A CA 1.718 53.963 52.037 0.347 0.000 0.624 199 A CB -0.918 18.349 19.000 0.444 0.000 0.822 199 A HN 0.463 nan 8.150 nan 0.000 0.444 200 Y N -0.685 119.873 120.300 0.431 0.000 2.114 200 Y HA -0.249 4.308 4.550 0.011 0.000 0.282 200 Y C 1.954 178.038 175.900 0.306 0.000 1.165 200 Y CA 1.805 60.135 58.100 0.383 0.000 1.148 200 Y CB -0.974 37.733 38.460 0.411 0.000 0.972 200 Y HN 0.276 nan 8.280 nan 0.000 0.504 201 F N 0.074 119.888 119.950 -0.226 0.000 2.186 201 F HA -0.152 4.382 4.527 0.012 0.000 0.299 201 F C 2.151 177.930 175.800 -0.036 0.000 1.090 201 F CA 1.363 59.186 58.000 -0.296 0.000 1.307 201 F CB -0.572 38.369 39.000 -0.098 0.000 1.019 201 F HN 0.107 nan 8.300 nan 0.000 0.489 202 L N -0.773 120.548 121.223 0.163 0.000 2.017 202 L HA -0.255 4.092 4.340 0.012 0.000 0.208 202 L C 2.446 179.382 176.870 0.110 0.000 1.073 202 L CA 1.241 56.175 54.840 0.157 0.000 0.745 202 L CB -0.785 41.408 42.059 0.224 0.000 0.894 202 L HN 0.122 nan 8.230 nan 0.000 0.432 203 L N -0.265 121.022 121.223 0.107 0.000 2.046 203 L HA -0.265 4.082 4.340 0.012 0.000 0.208 203 L C 2.704 179.519 176.870 -0.092 0.000 1.077 203 L CA 1.419 56.288 54.840 0.048 0.000 0.747 203 L CB -0.543 41.530 42.059 0.023 0.000 0.896 203 L HN 0.265 nan 8.230 nan 0.000 0.432 204 K N -0.927 119.361 120.400 -0.188 0.000 2.063 204 K HA -0.199 4.128 4.320 0.012 0.000 0.208 204 K C 2.044 178.335 176.600 -0.515 0.000 1.048 204 K CA 1.426 57.484 56.287 -0.381 0.000 0.928 204 K CB 0.031 32.159 32.500 -0.620 0.000 0.713 204 K HN 0.418 nan 8.250 nan 0.000 0.442 205 H N -1.256 117.618 119.070 -0.327 0.000 2.639 205 H HA 0.077 4.639 4.556 0.012 0.000 0.267 205 H C 1.965 177.142 175.328 -0.251 0.000 0.958 205 H CA 0.664 56.520 56.048 -0.321 0.000 1.221 205 H CB 0.738 30.220 29.762 -0.468 0.000 1.446 205 H HN 0.016 nan 8.280 nan 0.000 0.512 206 V N 0.447 120.249 119.914 -0.187 0.000 2.500 206 V HA -0.087 4.040 4.120 0.012 0.000 0.243 206 V C 1.903 177.696 176.094 -0.503 0.000 1.039 206 V CA 0.889 62.937 62.300 -0.420 0.000 1.053 206 V CB 0.087 31.461 31.823 -0.749 0.000 0.695 206 V HN 0.141 nan 8.190 nan 0.000 0.463 207 L N 0.251 121.258 121.223 -0.360 0.000 2.590 207 L HA 0.468 4.815 4.340 0.012 0.000 0.227 207 L C 1.697 178.493 176.870 -0.122 0.000 1.099 207 L CA 1.227 55.922 54.840 -0.241 0.000 0.872 207 L CB -0.437 41.532 42.059 -0.149 0.000 1.088 207 L HN 0.488 nan 8.230 nan 0.000 0.479 208 G N 0.138 108.853 108.800 -0.141 0.000 2.160 208 G HA2 -0.351 3.616 3.960 0.012 0.000 0.244 208 G HA3 -0.351 3.616 3.960 0.012 0.000 0.244 208 G C 0.479 175.319 174.900 -0.101 0.000 1.022 208 G CA 0.478 45.508 45.100 -0.115 0.000 0.741 208 G HN 0.266 nan 8.290 nan 0.000 0.508 209 M N 1.647 121.181 119.600 -0.111 0.000 2.239 209 M HA 0.343 4.830 4.480 0.012 0.000 0.348 209 M C 0.891 177.148 176.300 -0.070 0.000 1.239 209 M CA 0.026 55.274 55.300 -0.087 0.000 1.114 209 M CB 0.341 32.883 32.600 -0.096 0.000 1.641 209 M HN 0.482 nan 8.290 nan 0.000 0.453 210 D N 3.175 123.545 120.400 -0.050 0.000 2.487 210 D HA 0.345 4.992 4.640 0.012 0.000 0.262 210 D C 0.504 176.791 176.300 -0.022 0.000 1.130 210 D CA -0.226 53.764 54.000 -0.018 0.000 1.038 210 D CB 0.855 41.650 40.800 -0.008 0.000 1.142 210 D HN 0.633 nan 8.370 nan 0.000 0.575 211 A N 0.406 123.247 122.820 0.036 0.000 1.917 211 A HA -0.069 4.258 4.320 0.012 0.000 0.219 211 A C 2.215 179.818 177.584 0.030 0.000 1.182 211 A CA 2.902 54.990 52.037 0.084 0.000 0.633 211 A CB -1.242 17.853 19.000 0.158 0.000 0.819 211 A HN 0.722 nan 8.150 nan 0.000 0.448 212 A N -0.365 122.467 122.820 0.021 0.000 1.865 212 A HA -0.180 4.147 4.320 0.012 0.000 0.217 212 A C 2.019 179.621 177.584 0.030 0.000 1.191 212 A CA 2.219 54.275 52.037 0.033 0.000 0.623 212 A CB -0.538 18.470 19.000 0.014 0.000 0.826 212 A HN 0.535 nan 8.150 nan 0.000 0.444 213 E N -0.042 120.138 120.200 -0.033 0.000 2.152 213 E HA -0.059 4.298 4.350 0.012 0.000 0.192 213 E C 1.809 178.315 176.600 -0.158 0.000 0.983 213 E CA 0.876 57.230 56.400 -0.076 0.000 0.818 213 E CB -0.399 29.256 29.700 -0.075 0.000 0.758 213 E HN 0.586 nan 8.360 nan 0.000 0.467 214 L N -0.213 120.878 121.223 -0.220 0.000 2.017 214 L HA -0.206 4.141 4.340 0.012 0.000 0.208 214 L C 2.539 179.234 176.870 -0.291 0.000 1.073 214 L CA 1.825 56.430 54.840 -0.392 0.000 0.745 214 L CB -0.667 40.881 42.059 -0.852 0.000 0.894 214 L HN 0.347 nan 8.230 nan 0.000 0.432 215 H N 0.275 119.188 119.070 -0.262 0.000 2.319 215 H HA -0.229 4.334 4.556 0.012 0.000 0.297 215 H C 2.084 177.372 175.328 -0.067 0.000 1.097 215 H CA 2.237 58.250 56.048 -0.059 0.000 1.285 215 H CB 0.001 29.771 29.762 0.013 0.000 1.368 215 H HN 0.334 nan 8.280 nan 0.000 0.495 216 E N -0.409 119.607 120.200 -0.306 0.000 2.110 216 E HA -0.125 4.232 4.350 0.012 0.000 0.193 216 E C 2.452 178.828 176.600 -0.374 0.000 0.988 216 E CA 1.223 57.420 56.400 -0.338 0.000 0.804 216 E CB 0.058 29.678 29.700 -0.134 0.000 0.745 216 E HN 0.328 nan 8.360 nan 0.000 0.458 217 V N 0.460 120.107 119.914 -0.445 0.000 2.270 217 V HA -0.235 3.892 4.120 0.012 0.000 0.245 217 V C 1.878 177.330 176.094 -1.071 0.000 1.043 217 V CA 1.699 63.535 62.300 -0.772 0.000 1.014 217 V CB -0.459 30.802 31.823 -0.936 0.000 0.645 217 V HN 0.204 nan 8.190 nan 0.000 0.447 218 F N 0.543 120.030 119.950 -0.772 0.000 2.186 218 F HA -0.053 4.481 4.527 0.011 0.000 0.299 218 F C 2.414 178.073 175.800 -0.235 0.000 1.090 218 F CA 1.268 58.984 58.000 -0.472 0.000 1.307 218 F CB -0.816 38.031 39.000 -0.255 0.000 1.019 218 F HN 0.075 nan 8.300 nan 0.000 0.489 219 A N -0.276 122.443 122.820 -0.167 0.000 1.908 219 A HA -0.285 4.042 4.320 0.012 0.000 0.218 219 A C 1.839 179.376 177.584 -0.077 0.000 1.181 219 A CA 2.313 54.254 52.037 -0.160 0.000 0.627 219 A CB -1.093 17.676 19.000 -0.384 0.000 0.818 219 A HN 0.380 nan 8.150 nan 0.000 0.445 220 D N -1.922 118.400 120.400 -0.131 0.000 2.144 220 D HA -0.151 4.496 4.640 0.012 0.000 0.200 220 D C 1.623 177.994 176.300 0.118 0.000 0.978 220 D CA 1.113 55.093 54.000 -0.033 0.000 0.833 220 D CB -0.129 40.631 40.800 -0.068 0.000 0.961 220 D HN 0.586 nan 8.370 nan 0.000 0.470 221 W N 0.728 121.959 121.300 -0.115 0.000 2.363 221 W HA -0.005 4.662 4.660 0.012 0.000 0.296 221 W C 2.045 178.532 176.519 -0.053 0.000 1.212 221 W CA 0.616 57.892 57.345 -0.115 0.000 1.260 221 W CB -1.412 27.944 29.460 -0.174 0.000 1.131 221 W HN 0.100 nan 8.180 nan 0.000 0.530 222 N N 0.390 119.218 118.700 0.214 0.000 2.550 222 N HA -0.109 4.638 4.740 0.012 0.000 0.186 222 N C 1.240 176.807 175.510 0.094 0.000 1.110 222 N CA 0.961 54.099 53.050 0.147 0.000 0.912 222 N CB -0.101 38.465 38.487 0.131 0.000 0.968 222 N HN 0.059 nan 8.380 nan 0.000 0.448 223 K N -1.282 119.163 120.400 0.076 0.000 2.404 223 K HA 0.217 4.544 4.320 0.012 0.000 0.194 223 K C 0.952 177.572 176.600 0.034 0.000 1.023 223 K CA 0.062 56.379 56.287 0.050 0.000 1.094 223 K CB 0.827 33.349 32.500 0.037 0.000 0.841 223 K HN 0.090 nan 8.250 nan 0.000 0.523 224 G N 1.517 110.333 108.800 0.026 0.000 2.890 224 G HA2 -0.011 3.956 3.960 0.012 0.000 0.189 224 G HA3 -0.011 3.956 3.960 0.012 0.000 0.189 224 G C 0.521 175.393 174.900 -0.047 0.000 1.342 224 G CA -0.371 44.715 45.100 -0.023 0.000 1.026 224 G HN 0.181 nan 8.290 nan 0.000 0.579 225 E N -0.511 119.606 120.200 -0.138 0.000 2.265 225 E HA -0.068 4.289 4.350 0.012 0.000 0.196 225 E C 1.937 178.449 176.600 -0.146 0.000 0.996 225 E CA 0.649 56.940 56.400 -0.183 0.000 0.832 225 E CB -0.195 29.265 29.700 -0.400 0.000 0.756 225 E HN 0.322 nan 8.360 nan 0.000 0.491 226 L N 1.666 122.789 121.223 -0.166 0.000 2.610 226 L HA 0.005 4.352 4.340 0.012 0.000 0.232 226 L C 1.182 178.107 176.870 0.091 0.000 1.149 226 L CA -0.159 54.672 54.840 -0.015 0.000 0.872 226 L CB -0.747 41.281 42.059 -0.051 0.000 0.992 226 L HN 0.225 nan 8.230 nan 0.000 0.447 227 N N 1.272 120.025 118.700 0.088 0.000 2.132 227 N HA -0.082 4.665 4.740 0.012 0.000 0.280 227 N C -0.395 175.206 175.510 0.151 0.000 1.318 227 N CA 0.614 53.734 53.050 0.117 0.000 0.822 227 N CB 0.364 38.911 38.487 0.100 0.000 1.058 227 N HN 0.252 nan 8.380 nan 0.000 0.489 228 S N 2.952 118.749 115.700 0.160 0.000 2.611 228 S HA 0.021 4.498 4.470 0.012 0.000 0.270 228 S C 0.113 174.832 174.600 0.198 0.000 1.131 228 S CA -0.926 57.389 58.200 0.193 0.000 0.826 228 S CB 0.492 63.805 63.200 0.188 0.000 1.095 228 S HN 0.583 nan 8.310 nan 0.000 0.461 229 Y N 1.555 121.921 120.300 0.110 0.000 2.181 229 Y HA 0.082 4.639 4.550 0.012 0.000 0.288 229 Y C 1.756 177.700 175.900 0.074 0.000 1.146 229 Y CA 1.914 60.066 58.100 0.087 0.000 1.164 229 Y CB -0.332 38.178 38.460 0.084 0.000 0.982 229 Y HN 0.677 nan 8.280 nan 0.000 0.515 230 L N -0.434 120.807 121.223 0.030 0.000 2.141 230 L HA -0.213 4.134 4.340 0.012 0.000 0.209 230 L C 2.336 179.167 176.870 -0.066 0.000 1.094 230 L CA 1.060 55.856 54.840 -0.074 0.000 0.763 230 L CB -0.350 41.744 42.059 0.057 0.000 0.908 230 L HN 0.305 nan 8.230 nan 0.000 0.437 231 I N -0.750 119.853 120.570 0.054 0.000 2.406 231 I HA -0.215 3.962 4.170 0.012 0.000 0.249 231 I C 2.517 178.681 176.117 0.078 0.000 1.122 231 I CA 0.876 62.267 61.300 0.152 0.000 1.431 231 I CB -0.251 37.923 38.000 0.290 0.000 1.087 231 I HN 0.371 nan 8.210 nan 0.000 0.424 232 E N 2.100 122.309 120.200 0.016 0.000 2.038 232 E HA -0.257 4.100 4.350 0.012 0.000 0.195 232 E C 2.330 178.863 176.600 -0.110 0.000 1.000 232 E CA 2.070 58.458 56.400 -0.020 0.000 0.803 232 E CB -0.155 29.538 29.700 -0.011 0.000 0.750 232 E HN 0.616 nan 8.360 nan 0.000 0.448 233 I N -1.000 119.399 120.570 -0.285 0.000 2.394 233 I HA -0.147 4.030 4.170 0.012 0.000 0.251 233 I C 2.250 178.227 176.117 -0.233 0.000 1.136 233 I CA 1.434 62.550 61.300 -0.307 0.000 1.425 233 I CB -0.571 37.130 38.000 -0.499 0.000 1.079 233 I HN -0.059 nan 8.210 nan 0.000 0.425 234 T N 1.563 115.980 114.554 -0.228 0.000 2.684 234 T HA -0.118 4.239 4.350 0.012 0.000 0.267 234 T C 2.136 176.749 174.700 -0.146 0.000 1.036 234 T CA 1.928 63.852 62.100 -0.292 0.000 1.148 234 T CB -0.407 68.214 68.868 -0.411 0.000 0.863 234 T HN 0.608 nan 8.240 nan 0.000 0.436 235 A N 1.147 123.959 122.820 -0.014 0.000 1.972 235 A HA -0.132 4.195 4.320 0.012 0.000 0.219 235 A C 2.093 179.831 177.584 0.255 0.000 1.169 235 A CA 1.992 54.130 52.037 0.168 0.000 0.635 235 A CB -0.659 18.409 19.000 0.114 0.000 0.810 235 A HN 0.484 nan 8.150 nan 0.000 0.446 236 D N -0.138 120.306 120.400 0.073 0.000 2.103 236 D HA -0.076 4.571 4.640 0.012 0.000 0.199 236 D C 1.729 177.992 176.300 -0.062 0.000 0.978 236 D CA 1.115 55.126 54.000 0.018 0.000 0.829 236 D CB -0.249 40.532 40.800 -0.033 0.000 0.981 236 D HN 0.425 nan 8.370 nan 0.000 0.464 237 I N -0.235 120.236 120.570 -0.165 0.000 2.236 237 I HA -0.303 3.874 4.170 0.012 0.000 0.249 237 I C 1.578 177.503 176.117 -0.321 0.000 1.102 237 I CA 0.894 62.016 61.300 -0.297 0.000 1.365 237 I CB -0.285 37.433 38.000 -0.470 0.000 1.051 237 I HN 0.032 nan 8.210 nan 0.000 0.420 238 F N 0.477 120.335 119.950 -0.152 0.000 2.748 238 F HA -0.101 4.433 4.527 0.011 0.000 0.299 238 F C 2.595 178.321 175.800 -0.124 0.000 1.154 238 F CA 1.308 59.230 58.000 -0.130 0.000 1.446 238 F CB -0.730 38.212 39.000 -0.097 0.000 1.112 238 F HN 0.163 nan 8.300 nan 0.000 0.584 239 T N -3.515 111.017 114.554 -0.035 0.000 3.067 239 T HA 0.044 4.401 4.350 0.012 0.000 0.257 239 T C 0.897 175.533 174.700 -0.106 0.000 1.105 239 T CA 0.026 62.029 62.100 -0.161 0.000 1.104 239 T CB -0.060 68.648 68.868 -0.266 0.000 0.925 239 T HN -0.235 nan 8.240 nan 0.000 0.498 240 K N 1.538 121.882 120.400 -0.094 0.000 2.298 240 K HA 0.461 4.788 4.320 0.012 0.000 0.280 240 K C -0.669 175.892 176.600 -0.066 0.000 1.032 240 K CA -0.484 55.753 56.287 -0.083 0.000 0.958 240 K CB 1.020 33.462 32.500 -0.098 0.000 0.978 240 K HN 0.248 nan 8.250 nan 0.000 0.472 241 I N 1.891 122.430 120.570 -0.052 0.000 2.378 241 I HA 0.034 4.211 4.170 0.012 0.000 0.291 241 I C 0.267 176.363 176.117 -0.035 0.000 0.992 241 I CA -0.733 60.544 61.300 -0.038 0.000 1.154 241 I CB 1.410 39.392 38.000 -0.031 0.000 1.315 241 I HN 0.484 nan 8.210 nan 0.000 0.448 242 D N 4.777 125.158 120.400 -0.031 0.000 2.449 242 D HA -0.059 4.588 4.640 0.012 0.000 0.236 242 D C 1.213 177.500 176.300 -0.021 0.000 1.149 242 D CA 0.258 54.242 54.000 -0.027 0.000 0.878 242 D CB 1.010 41.797 40.800 -0.022 0.000 1.198 242 D HN 0.637 nan 8.370 nan 0.000 0.446 243 E N 2.665 122.853 120.200 -0.020 0.000 2.502 243 E HA -0.122 4.235 4.350 0.012 0.000 0.194 243 E C 0.516 177.108 176.600 -0.013 0.000 1.062 243 E CA 0.663 57.053 56.400 -0.017 0.000 0.867 243 E CB -0.168 29.522 29.700 -0.017 0.000 0.888 243 E HN 0.846 nan 8.360 nan 0.000 0.510 244 E N 0.422 120.615 120.200 -0.011 0.000 2.550 244 E HA -0.013 4.344 4.350 0.012 0.000 0.206 244 E C 1.668 178.264 176.600 -0.006 0.000 0.845 244 E CA 0.675 57.070 56.400 -0.008 0.000 1.461 244 E CB -0.224 29.472 29.700 -0.008 0.000 1.452 244 E HN 0.144 nan 8.360 nan 0.000 0.780 245 T N -2.235 112.316 114.554 -0.006 0.000 3.009 245 T HA 0.323 4.680 4.350 0.012 0.000 0.258 245 T C 1.822 176.519 174.700 -0.004 0.000 1.063 245 T CA 1.105 63.203 62.100 -0.003 0.000 1.139 245 T CB 0.397 69.264 68.868 -0.002 0.000 0.890 245 T HN 0.473 nan 8.240 nan 0.000 0.471 246 G N 1.392 110.188 108.800 -0.006 0.000 2.253 246 G HA2 -0.226 3.741 3.960 0.012 0.000 0.251 246 G HA3 -0.226 3.741 3.960 0.012 0.000 0.251 246 G C 0.252 175.149 174.900 -0.005 0.000 0.998 246 G CA 0.180 45.276 45.100 -0.006 0.000 0.621 246 G HN 0.610 nan 8.290 nan 0.000 0.524 247 K N 1.225 121.624 120.400 -0.002 0.000 2.149 247 K HA 0.438 4.765 4.320 0.012 0.000 0.245 247 K C -2.310 174.289 176.600 -0.002 0.000 1.024 247 K CA -1.914 54.375 56.287 0.003 0.000 0.899 247 K CB 0.021 32.526 32.500 0.010 0.000 1.038 247 K HN 0.121 nan 8.250 nan 0.000 0.496 248 P HA 0.004 nan 4.420 nan 0.000 0.268 248 P C 0.790 178.077 177.300 -0.022 0.000 1.205 248 P CA -0.234 62.863 63.100 -0.005 0.000 0.771 248 P CB 0.468 32.185 31.700 0.028 0.000 0.858 249 L N 5.276 126.469 121.223 -0.050 0.000 2.042 249 L HA -0.152 4.195 4.340 0.012 0.000 0.210 249 L C 2.115 178.938 176.870 -0.078 0.000 1.076 249 L CA 1.810 56.613 54.840 -0.062 0.000 0.749 249 L CB -1.040 40.972 42.059 -0.079 0.000 0.893 249 L HN 0.194 nan 8.230 nan 0.000 0.432 250 V N -0.392 119.447 119.914 -0.125 0.000 2.594 250 V HA -0.254 3.873 4.120 0.012 0.000 0.253 250 V C 1.705 177.768 176.094 -0.052 0.000 1.069 250 V CA 2.206 64.406 62.300 -0.167 0.000 1.082 250 V CB -0.567 31.025 31.823 -0.385 0.000 0.680 250 V HN 0.545 nan 8.190 nan 0.000 0.469 251 D N -0.708 119.693 120.400 0.002 0.000 2.347 251 D HA 0.016 4.663 4.640 0.012 0.000 0.213 251 D C 1.818 178.137 176.300 0.031 0.000 0.985 251 D CA 0.853 54.885 54.000 0.052 0.000 0.879 251 D CB 0.410 41.251 40.800 0.070 0.000 0.919 251 D HN 0.455 nan 8.370 nan 0.000 0.526 252 V N 0.846 120.762 119.914 0.004 0.000 3.406 252 V HA 0.048 4.175 4.120 0.012 0.000 0.263 252 V C 1.226 177.317 176.094 -0.005 0.000 1.172 252 V CA 0.271 62.571 62.300 -0.000 0.000 1.140 252 V CB 0.209 32.025 31.823 -0.012 0.000 0.784 252 V HN 0.107 nan 8.190 nan 0.000 0.467 253 I N 1.275 121.837 120.570 -0.013 0.000 2.395 253 I HA 0.169 4.346 4.170 0.012 0.000 0.289 253 I C 0.089 176.206 176.117 -0.001 0.000 1.023 253 I CA -0.184 61.104 61.300 -0.021 0.000 1.350 253 I CB 1.321 39.290 38.000 -0.051 0.000 1.409 253 I HN 0.139 nan 8.210 nan 0.000 0.507 254 L N 6.746 127.967 121.223 -0.003 0.000 2.455 254 L HA 0.013 4.360 4.340 0.012 0.000 0.272 254 L C 0.627 177.500 176.870 0.005 0.000 1.174 254 L CA -0.141 54.703 54.840 0.006 0.000 0.869 254 L CB 0.414 42.474 42.059 0.001 0.000 1.130 254 L HN 0.670 nan 8.230 nan 0.000 0.474 255 D N 5.000 125.411 120.400 0.018 0.000 2.934 255 D HA 0.009 4.656 4.640 0.012 0.000 0.237 255 D C -0.310 175.991 176.300 0.001 0.000 1.158 255 D CA -0.102 53.907 54.000 0.014 0.000 0.971 255 D CB -0.016 40.804 40.800 0.034 0.000 1.123 255 D HN 0.338 nan 8.370 nan 0.000 0.467 256 K N 0.726 121.123 120.400 -0.004 0.000 2.473 256 K HA 0.445 4.772 4.320 0.012 0.000 0.246 256 K C -0.594 175.998 176.600 -0.014 0.000 1.011 256 K CA -0.669 55.617 56.287 -0.001 0.000 0.984 256 K CB 1.794 34.297 32.500 0.004 0.000 1.250 256 K HN 0.208 nan 8.250 nan 0.000 0.454 257 A N 2.637 125.444 122.820 -0.022 0.000 2.438 257 A HA 0.334 4.661 4.320 0.012 0.000 0.280 257 A C 0.686 178.252 177.584 -0.029 0.000 1.160 257 A CA -0.146 51.860 52.037 -0.051 0.000 0.821 257 A CB 0.001 18.951 19.000 -0.084 0.000 1.101 257 A HN 0.767 nan 8.150 nan 0.000 0.515 258 G N 1.643 110.420 108.800 -0.039 0.000 2.634 258 G HA2 0.495 4.462 3.960 0.012 0.000 0.255 258 G HA3 0.495 4.462 3.960 0.012 0.000 0.255 258 G C -0.171 174.705 174.900 -0.041 0.000 1.205 258 G CA 0.085 45.174 45.100 -0.020 0.000 0.884 258 G HN 1.220 nan 8.290 nan 0.000 0.549 259 Q N -0.916 118.890 119.800 0.011 0.000 2.479 259 Q HA 0.476 4.823 4.340 0.012 0.000 0.276 259 Q C -1.305 174.731 176.000 0.060 0.000 0.989 259 Q CA -1.144 54.683 55.803 0.039 0.000 0.864 259 Q CB 1.324 30.139 28.738 0.127 0.000 1.444 259 Q HN 0.245 nan 8.270 nan 0.000 0.388 260 K N 0.719 121.148 120.400 0.048 0.000 2.230 260 K HA 0.308 4.635 4.320 0.012 0.000 0.253 260 K C 1.297 177.855 176.600 -0.070 0.000 1.008 260 K CA 0.929 57.199 56.287 -0.027 0.000 0.910 260 K CB 0.344 32.799 32.500 -0.076 0.000 0.994 260 K HN 0.815 nan 8.250 nan 0.000 0.495 261 G N -0.417 108.316 108.800 -0.111 0.000 2.625 261 G HA2 -0.200 3.767 3.960 0.012 0.000 0.214 261 G HA3 -0.200 3.767 3.960 0.012 0.000 0.214 261 G C 1.087 175.724 174.900 -0.438 0.000 1.132 261 G CA 1.268 46.283 45.100 -0.141 0.000 0.782 261 G HN 0.719 nan 8.290 nan 0.000 0.538 262 T N -2.516 111.616 114.554 -0.704 0.000 3.088 262 T HA 0.166 4.523 4.350 0.012 0.000 0.259 262 T C 2.334 176.419 174.700 -1.025 0.000 1.122 262 T CA 1.123 62.306 62.100 -1.528 0.000 1.095 262 T CB 0.124 68.210 68.868 -1.304 0.000 0.930 262 T HN 0.114 nan 8.240 nan 0.000 0.508 263 G N 2.484 110.939 108.800 -0.574 0.000 2.470 263 G HA2 -0.167 3.800 3.960 0.012 0.000 0.220 263 G HA3 -0.167 3.800 3.960 0.012 0.000 0.220 263 G C 1.546 176.118 174.900 -0.547 0.000 1.121 263 G CA 0.819 45.513 45.100 -0.676 0.000 0.766 263 G HN 0.751 nan 8.290 nan 0.000 0.553 264 K N -1.078 119.148 120.400 -0.290 0.000 2.400 264 K HA 0.042 4.369 4.320 0.012 0.000 0.194 264 K C 1.821 178.458 176.600 0.062 0.000 1.033 264 K CA -0.082 56.151 56.287 -0.089 0.000 1.021 264 K CB -0.117 32.439 32.500 0.094 0.000 0.808 264 K HN 0.243 nan 8.250 nan 0.000 0.505 265 W N 2.994 124.235 121.300 -0.097 0.000 2.335 265 W HA -0.070 4.597 4.660 0.012 0.000 0.311 265 W C 2.087 178.589 176.519 -0.029 0.000 1.213 265 W CA 1.329 58.664 57.345 -0.016 0.000 1.274 265 W CB -1.381 28.114 29.460 0.059 0.000 1.148 265 W HN 0.111 nan 8.180 nan 0.000 0.498 266 T N 0.320 114.931 114.554 0.095 0.000 2.635 266 T HA -0.212 4.145 4.350 0.012 0.000 0.267 266 T C 2.003 176.695 174.700 -0.014 0.000 1.040 266 T CA 2.440 64.518 62.100 -0.036 0.000 1.156 266 T CB -0.802 67.969 68.868 -0.161 0.000 0.863 266 T HN 0.007 nan 8.240 nan 0.000 0.430 267 S N 1.386 117.052 115.700 -0.057 0.000 2.370 267 S HA -0.172 4.305 4.470 0.012 0.000 0.226 267 S C 2.258 176.875 174.600 0.029 0.000 1.033 267 S CA 1.164 59.332 58.200 -0.054 0.000 1.011 267 S CB -0.397 62.712 63.200 -0.151 0.000 0.852 267 S HN 0.546 nan 8.310 nan 0.000 0.457 268 Q N 0.975 120.825 119.800 0.083 0.000 2.084 268 Q HA -0.111 4.236 4.340 0.012 0.000 0.202 268 Q C 2.292 178.386 176.000 0.156 0.000 0.978 268 Q CA 1.096 56.974 55.803 0.125 0.000 0.844 268 Q CB -0.287 28.541 28.738 0.151 0.000 0.898 268 Q HN 0.557 nan 8.270 nan 0.000 0.426 269 N N 0.454 119.275 118.700 0.203 0.000 2.188 269 N HA -0.150 4.597 4.740 0.012 0.000 0.184 269 N C 1.732 177.358 175.510 0.192 0.000 1.018 269 N CA 1.174 54.381 53.050 0.262 0.000 0.858 269 N CB 0.037 38.719 38.487 0.325 0.000 0.989 269 N HN 0.186 nan 8.380 nan 0.000 0.426 270 A N 1.594 124.489 122.820 0.126 0.000 1.908 270 A HA -0.101 4.226 4.320 0.012 0.000 0.218 270 A C 2.438 180.075 177.584 0.089 0.000 1.181 270 A CA 1.022 53.113 52.037 0.091 0.000 0.627 270 A CB -0.727 18.298 19.000 0.041 0.000 0.818 270 A HN 0.349 nan 8.150 nan 0.000 0.445 271 L N -0.664 120.613 121.223 0.090 0.000 2.093 271 L HA -0.171 4.176 4.340 0.012 0.000 0.208 271 L C 2.075 179.000 176.870 0.091 0.000 1.085 271 L CA 1.293 56.185 54.840 0.087 0.000 0.755 271 L CB -0.591 41.522 42.059 0.089 0.000 0.904 271 L HN 0.264 nan 8.230 nan 0.000 0.435 272 D N 0.179 120.649 120.400 0.116 0.000 2.117 272 D HA -0.144 4.503 4.640 0.012 0.000 0.197 272 D C 2.291 178.646 176.300 0.091 0.000 0.987 272 D CA 1.316 55.387 54.000 0.119 0.000 0.829 272 D CB -0.032 40.876 40.800 0.179 0.000 0.961 272 D HN 0.280 nan 8.370 nan 0.000 0.460 273 L N -0.813 120.466 121.223 0.093 0.000 2.418 273 L HA 0.133 4.480 4.340 0.012 0.000 0.218 273 L C 1.341 178.233 176.870 0.036 0.000 1.125 273 L CA 0.525 55.394 54.840 0.049 0.000 0.835 273 L CB 0.001 42.096 42.059 0.060 0.000 0.953 273 L HN 0.142 nan 8.230 nan 0.000 0.454 274 G N 0.586 109.418 108.800 0.052 0.000 2.149 274 G HA2 -0.215 3.752 3.960 0.012 0.000 0.235 274 G HA3 -0.215 3.752 3.960 0.012 0.000 0.235 274 G C -0.080 174.856 174.900 0.059 0.000 1.018 274 G CA 0.008 45.138 45.100 0.050 0.000 0.728 274 G HN 0.096 nan 8.290 nan 0.000 0.508 275 V N 1.546 121.498 119.914 0.064 0.000 2.394 275 V HA 0.540 4.667 4.120 0.012 0.000 0.282 275 V C -1.412 174.724 176.094 0.070 0.000 1.031 275 V CA -1.789 60.553 62.300 0.070 0.000 0.881 275 V CB 1.677 33.537 31.823 0.061 0.000 0.982 275 V HN 0.248 nan 8.190 nan 0.000 0.451 276 P HA 0.197 nan 4.420 nan 0.000 0.270 276 P C -0.567 176.735 177.300 0.002 0.000 1.242 276 P CA -0.068 63.087 63.100 0.091 0.000 0.768 276 P CB 1.121 32.941 31.700 0.199 0.000 0.820 277 L N 7.274 128.481 121.223 -0.025 0.000 2.960 277 L HA 0.321 4.668 4.340 0.012 0.000 0.274 277 L C -1.652 175.161 176.870 -0.095 0.000 1.327 277 L CA -1.767 53.018 54.840 -0.091 0.000 0.860 277 L CB 0.935 42.950 42.059 -0.073 0.000 1.239 277 L HN 0.144 nan 8.230 nan 0.000 0.551 278 P HA -0.139 nan 4.420 nan 0.000 0.216 278 P C 1.720 178.986 177.300 -0.057 0.000 1.153 278 P CA 1.572 64.651 63.100 -0.035 0.000 0.848 278 P CB 0.508 32.215 31.700 0.012 0.000 0.787 279 I N -0.788 119.721 120.570 -0.101 0.000 2.163 279 I HA -0.191 3.986 4.170 0.012 0.000 0.240 279 I C 2.648 178.709 176.117 -0.093 0.000 1.081 279 I CA 1.251 62.503 61.300 -0.079 0.000 1.353 279 I CB -0.608 37.338 38.000 -0.091 0.000 1.054 279 I HN -0.208 nan 8.210 nan 0.000 0.407 280 I N 0.418 120.911 120.570 -0.129 0.000 2.226 280 I HA -0.274 3.903 4.170 0.012 0.000 0.245 280 I C 2.504 178.507 176.117 -0.189 0.000 1.100 280 I CA 1.570 62.781 61.300 -0.148 0.000 1.374 280 I CB -0.554 37.340 38.000 -0.177 0.000 1.057 280 I HN 0.253 nan 8.210 nan 0.000 0.413 281 T N -0.035 114.396 114.554 -0.205 0.000 2.777 281 T HA -0.140 4.217 4.350 0.012 0.000 0.266 281 T C 1.788 176.260 174.700 -0.381 0.000 1.040 281 T CA 1.062 62.958 62.100 -0.340 0.000 1.141 281 T CB -0.195 68.514 68.868 -0.263 0.000 0.868 281 T HN 0.321 nan 8.240 nan 0.000 0.444 282 E N 1.341 121.468 120.200 -0.122 0.000 2.110 282 E HA -0.068 4.289 4.350 0.012 0.000 0.193 282 E C 2.561 179.137 176.600 -0.040 0.000 0.988 282 E CA 0.901 57.312 56.400 0.018 0.000 0.804 282 E CB -0.258 29.472 29.700 0.050 0.000 0.745 282 E HN 0.423 nan 8.360 nan 0.000 0.458 283 S N 0.589 116.232 115.700 -0.096 0.000 2.383 283 S HA -0.097 4.380 4.470 0.012 0.000 0.227 283 S C 2.282 176.792 174.600 -0.151 0.000 1.026 283 S CA 0.868 59.016 58.200 -0.087 0.000 0.981 283 S CB -0.140 63.029 63.200 -0.052 0.000 0.818 283 S HN 0.055 nan 8.310 nan 0.000 0.472 284 V N 1.150 120.899 119.914 -0.276 0.000 2.307 284 V HA -0.110 4.017 4.120 0.012 0.000 0.245 284 V C 1.976 177.616 176.094 -0.756 0.000 1.045 284 V CA 1.515 63.523 62.300 -0.485 0.000 1.024 284 V CB -0.805 30.652 31.823 -0.609 0.000 0.651 284 V HN 0.373 nan 8.190 nan 0.000 0.449 285 F N 0.988 120.671 119.950 -0.445 0.000 2.216 285 F HA -0.048 4.487 4.527 0.012 0.000 0.300 285 F C 2.421 178.135 175.800 -0.144 0.000 1.085 285 F CA 0.727 58.569 58.000 -0.264 0.000 1.326 285 F CB -1.351 37.626 39.000 -0.038 0.000 1.027 285 F HN 0.111 nan 8.300 nan 0.000 0.497 286 A N 0.055 122.895 122.820 0.034 0.000 1.933 286 A HA -0.176 4.151 4.320 0.012 0.000 0.218 286 A C 2.431 179.997 177.584 -0.030 0.000 1.175 286 A CA 1.314 53.352 52.037 0.002 0.000 0.628 286 A CB -0.554 18.428 19.000 -0.030 0.000 0.814 286 A HN 0.268 nan 8.150 nan 0.000 0.444 287 R N -1.513 118.919 120.500 -0.112 0.000 2.075 287 R HA -0.080 4.267 4.340 0.012 0.000 0.232 287 R C 1.827 178.186 176.300 0.098 0.000 1.126 287 R CA 1.429 57.483 56.100 -0.076 0.000 0.963 287 R CB -0.463 29.745 30.300 -0.154 0.000 0.858 287 R HN 0.538 nan 8.270 nan 0.000 0.435 288 F N 0.747 120.744 119.950 0.079 0.000 2.134 288 F HA -0.183 4.351 4.527 0.012 0.000 0.299 288 F C 2.215 178.042 175.800 0.044 0.000 1.097 288 F CA 0.651 58.697 58.000 0.078 0.000 1.264 288 F CB -0.982 38.103 39.000 0.142 0.000 1.001 288 F HN 0.006 nan 8.300 nan 0.000 0.479 289 L N 0.358 121.718 121.223 0.229 0.000 2.093 289 L HA -0.145 4.202 4.340 0.012 0.000 0.208 289 L C 2.625 179.534 176.870 0.065 0.000 1.085 289 L CA 1.990 56.899 54.840 0.115 0.000 0.755 289 L CB -1.226 40.877 42.059 0.074 0.000 0.904 289 L HN 0.227 nan 8.230 nan 0.000 0.435 290 S N -0.814 114.916 115.700 0.049 0.000 2.402 290 S HA -0.092 4.385 4.470 0.012 0.000 0.229 290 S C 2.077 176.698 174.600 0.034 0.000 1.021 290 S CA 0.746 58.957 58.200 0.018 0.000 0.974 290 S CB -0.772 62.421 63.200 -0.011 0.000 0.800 290 S HN 0.425 nan 8.310 nan 0.000 0.484 291 A N 1.340 124.200 122.820 0.067 0.000 2.121 291 A HA 0.301 4.628 4.320 0.012 0.000 0.218 291 A C 1.741 179.350 177.584 0.042 0.000 1.154 291 A CA 0.805 52.879 52.037 0.060 0.000 0.679 291 A CB -0.721 18.337 19.000 0.097 0.000 0.795 291 A HN 0.644 nan 8.150 nan 0.000 0.458 292 M N -0.070 119.556 119.600 0.044 0.000 3.533 292 M HA 0.127 4.614 4.480 0.012 0.000 0.217 292 M C 1.250 177.562 176.300 0.019 0.000 1.269 292 M CA -0.160 55.156 55.300 0.026 0.000 1.435 292 M CB 0.335 32.952 32.600 0.028 0.000 1.105 292 M HN 0.233 nan 8.290 nan 0.000 0.555 293 K N 1.330 121.740 120.400 0.017 0.000 2.009 293 K HA -0.181 4.146 4.320 0.012 0.000 0.210 293 K C 1.109 177.717 176.600 0.014 0.000 1.049 293 K CA 2.048 58.345 56.287 0.016 0.000 0.929 293 K CB 0.017 32.526 32.500 0.015 0.000 0.714 293 K HN 0.270 nan 8.250 nan 0.000 0.440 294 D N 0.623 121.029 120.400 0.011 0.000 2.123 294 D HA -0.155 4.492 4.640 0.012 0.000 0.196 294 D C 1.755 178.060 176.300 0.007 0.000 0.992 294 D CA 1.217 55.222 54.000 0.008 0.000 0.833 294 D CB -0.088 40.715 40.800 0.005 0.000 0.954 294 D HN 0.447 nan 8.370 nan 0.000 0.455 295 E N 0.146 120.350 120.200 0.007 0.000 2.106 295 E HA -0.106 4.251 4.350 0.012 0.000 0.192 295 E C 2.224 178.828 176.600 0.007 0.000 0.984 295 E CA 0.531 56.934 56.400 0.005 0.000 0.806 295 E CB 0.101 29.803 29.700 0.003 0.000 0.750 295 E HN 0.281 nan 8.360 nan 0.000 0.458 296 R N 0.424 120.931 120.500 0.010 0.000 2.062 296 R HA -0.082 4.265 4.340 0.012 0.000 0.229 296 R C 2.644 178.953 176.300 0.015 0.000 1.128 296 R CA 1.122 57.229 56.100 0.012 0.000 0.960 296 R CB -0.639 29.669 30.300 0.014 0.000 0.855 296 R HN 0.110 nan 8.270 nan 0.000 0.432 297 V N 1.666 121.589 119.914 0.016 0.000 2.343 297 V HA -0.254 3.873 4.120 0.012 0.000 0.247 297 V C 2.278 178.380 176.094 0.013 0.000 1.051 297 V CA 1.869 64.180 62.300 0.018 0.000 1.036 297 V CB -0.366 31.469 31.823 0.019 0.000 0.654 297 V HN 0.252 nan 8.190 nan 0.000 0.451 298 K N -0.029 120.377 120.400 0.010 0.000 2.032 298 K HA -0.170 4.157 4.320 0.012 0.000 0.209 298 K C 2.209 178.813 176.600 0.007 0.000 1.048 298 K CA 1.822 58.113 56.287 0.007 0.000 0.927 298 K CB -0.568 31.935 32.500 0.005 0.000 0.712 298 K HN 0.610 nan 8.250 nan 0.000 0.441 299 A N 1.195 124.019 122.820 0.007 0.000 1.902 299 A HA -0.182 4.145 4.320 0.012 0.000 0.217 299 A C 2.123 179.711 177.584 0.007 0.000 1.181 299 A CA 2.367 54.407 52.037 0.006 0.000 0.623 299 A CB -0.876 18.128 19.000 0.005 0.000 0.818 299 A HN 0.610 nan 8.150 nan 0.000 0.443 300 S N 0.047 115.753 115.700 0.010 0.000 2.440 300 S HA -0.204 4.273 4.470 0.012 0.000 0.240 300 S C 1.605 176.210 174.600 0.009 0.000 1.014 300 S CA 1.695 59.902 58.200 0.011 0.000 0.980 300 S CB -0.389 62.821 63.200 0.017 0.000 0.775 300 S HN 0.652 nan 8.310 nan 0.000 0.499 301 K N 0.571 120.976 120.400 0.008 0.000 2.400 301 K HA 0.164 4.491 4.320 0.012 0.000 0.194 301 K C 1.723 178.326 176.600 0.005 0.000 1.033 301 K CA 0.916 57.207 56.287 0.007 0.000 1.021 301 K CB 0.268 32.773 32.500 0.007 0.000 0.808 301 K HN 0.549 nan 8.250 nan 0.000 0.505 302 V N -2.725 117.192 119.914 0.004 0.000 3.473 302 V HA 0.240 4.367 4.120 0.012 0.000 0.253 302 V C 0.464 176.559 176.094 0.002 0.000 1.340 302 V CA -0.363 61.938 62.300 0.003 0.000 1.103 302 V CB -0.042 31.782 31.823 0.002 0.000 0.881 302 V HN -0.030 nan 8.190 nan 0.000 0.451 303 L N 2.850 124.075 121.223 0.003 0.000 2.265 303 L HA 0.747 5.094 4.340 0.012 0.000 0.288 303 L C 0.683 177.555 176.870 0.002 0.000 1.058 303 L CA -0.170 54.671 54.840 0.002 0.000 0.809 303 L CB 1.198 43.259 42.059 0.003 0.000 1.179 303 L HN 0.320 nan 8.230 nan 0.000 0.429 304 A N 3.178 126.000 122.820 0.002 0.000 2.440 304 A HA 0.565 4.892 4.320 0.012 0.000 0.251 304 A C 0.587 178.172 177.584 0.001 0.000 1.089 304 A CA 0.111 52.149 52.037 0.001 0.000 0.779 304 A CB 0.485 19.486 19.000 0.001 0.000 1.022 304 A HN 0.793 nan 8.150 nan 0.000 0.492 305 G N 1.505 110.305 108.800 -0.001 0.000 2.537 305 G HA2 0.633 4.600 3.960 0.012 0.000 0.297 305 G HA3 0.633 4.600 3.960 0.012 0.000 0.297 305 G C -1.949 172.951 174.900 -0.000 0.000 1.310 305 G CA -1.003 44.096 45.100 -0.001 0.000 1.027 305 G HN 0.728 nan 8.290 nan 0.000 0.505 306 P HA 0.484 nan 4.420 nan 0.000 0.276 306 P C -0.600 176.700 177.300 0.000 0.000 1.252 306 P CA -0.248 62.854 63.100 0.003 0.000 0.802 306 P CB 1.201 32.906 31.700 0.007 0.000 1.035 307 A N 0.952 123.773 122.820 0.002 0.000 2.366 307 A HA 0.480 4.807 4.320 0.012 0.000 0.272 307 A C -0.283 177.302 177.584 0.002 0.000 1.135 307 A CA -0.323 51.714 52.037 0.000 0.000 0.804 307 A CB -0.026 18.974 19.000 0.000 0.000 1.064 307 A HN 0.325 nan 8.150 nan 0.000 0.499 308 V N 5.186 125.100 119.914 0.000 0.000 2.516 308 V HA 0.157 4.284 4.120 0.012 0.000 0.271 308 V C -0.266 175.830 176.094 0.003 0.000 0.992 308 V CA -1.023 61.279 62.300 0.004 0.000 0.857 308 V CB 1.117 32.942 31.823 0.003 0.000 1.047 308 V HN 0.913 nan 8.190 nan 0.000 0.455 309 K N 4.429 124.829 120.400 0.000 0.000 2.440 309 K HA 0.252 4.579 4.320 0.012 0.000 0.270 309 K C -2.049 174.553 176.600 0.004 0.000 0.980 309 K CA -1.076 55.209 56.287 -0.004 0.000 0.953 309 K CB 0.550 33.042 32.500 -0.014 0.000 0.925 309 K HN 0.385 nan 8.250 nan 0.000 0.497 310 P HA -0.030 nan 4.420 nan 0.000 0.269 310 P C -0.220 177.100 177.300 0.035 0.000 1.209 310 P CA -0.172 62.942 63.100 0.024 0.000 0.776 310 P CB 0.265 31.971 31.700 0.011 0.000 0.876 311 F N 2.563 122.456 119.950 -0.094 0.000 2.538 311 F HA 0.080 4.614 4.527 0.012 0.000 0.371 311 F C 0.914 176.654 175.800 -0.101 0.000 1.087 311 F CA 0.152 58.077 58.000 -0.125 0.000 1.250 311 F CB 0.498 39.373 39.000 -0.209 0.000 1.110 311 F HN 0.441 nan 8.300 nan 0.000 0.570 312 E N 4.417 124.078 120.200 -0.898 0.000 4.170 312 E HA 0.293 4.650 4.350 0.012 0.000 0.199 312 E C 0.028 176.133 176.600 -0.826 0.000 1.080 312 E CA -0.575 55.414 56.400 -0.684 0.000 1.446 312 E CB 0.002 29.518 29.700 -0.306 0.000 1.170 312 E HN 0.730 nan 8.360 nan 0.000 0.429 313 G N 0.641 108.495 108.800 -1.578 0.000 2.525 313 G HA2 0.141 4.108 3.960 0.012 0.000 0.287 313 G HA3 0.141 4.108 3.960 0.012 0.000 0.287 313 G C -0.580 174.185 174.900 -0.225 0.000 1.350 313 G CA -0.524 44.156 45.100 -0.700 0.000 1.039 313 G HN 0.246 nan 8.290 nan 0.000 0.513 314 D N -1.371 119.050 120.400 0.034 0.000 2.383 314 D HA 0.083 4.730 4.640 0.012 0.000 0.252 314 D C 1.589 178.089 176.300 0.333 0.000 1.166 314 D CA -0.260 53.823 54.000 0.140 0.000 0.879 314 D CB 0.926 41.788 40.800 0.104 0.000 1.164 314 D HN 0.372 nan 8.370 nan 0.000 0.462 315 R N 3.509 124.172 120.500 0.272 0.000 2.073 315 R HA -0.180 4.167 4.340 0.012 0.000 0.234 315 R C 1.690 178.135 176.300 0.242 0.000 1.134 315 R CA 1.559 57.827 56.100 0.280 0.000 0.952 315 R CB -0.291 30.110 30.300 0.167 0.000 0.850 315 R HN 0.555 nan 8.270 nan 0.000 0.433 316 A N -0.002 122.927 122.820 0.182 0.000 1.898 316 A HA -0.217 4.110 4.320 0.012 0.000 0.216 316 A C 1.993 179.667 177.584 0.151 0.000 1.181 316 A CA 1.760 53.878 52.037 0.134 0.000 0.620 316 A CB -0.880 18.177 19.000 0.096 0.000 0.819 316 A HN 0.685 nan 8.150 nan 0.000 0.442 317 H N -2.007 117.130 119.070 0.111 0.000 2.387 317 H HA -0.151 4.412 4.556 0.012 0.000 0.299 317 H C 1.663 177.058 175.328 0.111 0.000 1.090 317 H CA 2.132 58.237 56.048 0.095 0.000 1.332 317 H CB -0.273 29.558 29.762 0.114 0.000 1.386 317 H HN 0.465 nan 8.280 nan 0.000 0.516 318 F N 0.349 120.404 119.950 0.176 0.000 2.163 318 F HA -0.056 4.478 4.527 0.012 0.000 0.297 318 F C 2.070 177.854 175.800 -0.027 0.000 1.094 318 F CA 1.255 59.303 58.000 0.079 0.000 1.290 318 F CB -0.333 38.699 39.000 0.054 0.000 1.017 318 F HN 0.165 nan 8.300 nan 0.000 0.483 319 I N 0.299 120.896 120.570 0.045 0.000 2.208 319 I HA -0.294 3.883 4.170 0.012 0.000 0.245 319 I C 2.357 178.435 176.117 -0.065 0.000 1.097 319 I CA 1.817 63.121 61.300 0.007 0.000 1.363 319 I CB -0.507 37.538 38.000 0.076 0.000 1.051 319 I HN 0.158 nan 8.210 nan 0.000 0.413 320 E N 1.355 121.467 120.200 -0.147 0.000 2.106 320 E HA -0.163 4.194 4.350 0.012 0.000 0.192 320 E C 2.082 178.422 176.600 -0.434 0.000 0.984 320 E CA 1.517 57.754 56.400 -0.271 0.000 0.806 320 E CB -0.157 29.389 29.700 -0.257 0.000 0.750 320 E HN 0.416 nan 8.360 nan 0.000 0.458 321 A N 0.037 122.566 122.820 -0.485 0.000 1.902 321 A HA -0.115 4.212 4.320 0.012 0.000 0.217 321 A C 2.474 179.768 177.584 -0.485 0.000 1.181 321 A CA 1.576 53.317 52.037 -0.494 0.000 0.623 321 A CB -0.704 18.028 19.000 -0.446 0.000 0.818 321 A HN 0.194 nan 8.150 nan 0.000 0.443 322 V N -0.019 119.566 119.914 -0.549 0.000 2.358 322 V HA -0.240 3.887 4.120 0.012 0.000 0.246 322 V C 2.636 178.475 176.094 -0.426 0.000 1.047 322 V CA 2.214 64.270 62.300 -0.405 0.000 1.035 322 V CB -0.796 30.872 31.823 -0.259 0.000 0.658 322 V HN 0.638 nan 8.190 nan 0.000 0.452 323 R N 0.039 120.169 120.500 -0.617 0.000 2.083 323 R HA -0.167 4.180 4.340 0.012 0.000 0.237 323 R C 2.590 178.452 176.300 -0.729 0.000 1.137 323 R CA 1.746 57.163 56.100 -1.138 0.000 0.951 323 R CB -0.190 29.329 30.300 -1.301 0.000 0.851 323 R HN 0.432 nan 8.270 nan 0.000 0.434 324 R N -0.208 119.900 120.500 -0.652 0.000 2.081 324 R HA -0.100 4.247 4.340 0.012 0.000 0.235 324 R C 2.344 178.480 176.300 -0.274 0.000 1.131 324 R CA 1.364 57.074 56.100 -0.651 0.000 0.960 324 R CB -0.374 29.376 30.300 -0.917 0.000 0.856 324 R HN 0.270 nan 8.270 nan 0.000 0.436 325 A N 1.331 123.992 122.820 -0.265 0.000 1.908 325 A HA -0.177 4.150 4.320 0.012 0.000 0.218 325 A C 2.090 179.620 177.584 -0.089 0.000 1.181 325 A CA 1.192 53.146 52.037 -0.139 0.000 0.627 325 A CB -0.460 18.456 19.000 -0.141 0.000 0.818 325 A HN 0.245 nan 8.150 nan 0.000 0.445 326 L N -1.954 119.184 121.223 -0.142 0.000 2.056 326 L HA -0.105 4.242 4.340 0.012 0.000 0.207 326 L C 2.263 179.114 176.870 -0.031 0.000 1.078 326 L CA 2.171 56.959 54.840 -0.086 0.000 0.749 326 L CB -0.913 41.055 42.059 -0.151 0.000 0.901 326 L HN 0.481 nan 8.230 nan 0.000 0.433 327 Y N -0.268 119.931 120.300 -0.170 0.000 2.163 327 Y HA -0.269 4.288 4.550 0.012 0.000 0.288 327 Y C 2.702 178.597 175.900 -0.009 0.000 1.136 327 Y CA 2.312 60.352 58.100 -0.100 0.000 1.147 327 Y CB -0.374 38.088 38.460 0.002 0.000 0.987 327 Y HN 0.320 nan 8.280 nan 0.000 0.509 328 M N -1.031 118.624 119.600 0.091 0.000 2.080 328 M HA -0.259 4.228 4.480 0.012 0.000 0.260 328 M C 2.214 178.494 176.300 -0.034 0.000 1.068 328 M CA 2.417 57.719 55.300 0.003 0.000 1.109 328 M CB -0.296 32.326 32.600 0.037 0.000 1.342 328 M HN 0.170 nan 8.290 nan 0.000 0.405 329 S N 0.271 115.961 115.700 -0.017 0.000 2.382 329 S HA -0.157 4.320 4.470 0.012 0.000 0.228 329 S C 1.834 176.431 174.600 -0.006 0.000 1.027 329 S CA 1.370 59.570 58.200 0.000 0.000 0.991 329 S CB -0.310 62.895 63.200 0.008 0.000 0.823 329 S HN 0.463 nan 8.310 nan 0.000 0.469 330 K N 0.812 121.180 120.400 -0.053 0.000 2.057 330 K HA -0.006 4.321 4.320 0.012 0.000 0.207 330 K C 1.967 178.583 176.600 0.027 0.000 1.049 330 K CA 1.097 57.354 56.287 -0.051 0.000 0.931 330 K CB -0.244 32.095 32.500 -0.268 0.000 0.714 330 K HN 0.312 nan 8.250 nan 0.000 0.440 331 I N 0.642 121.161 120.570 -0.085 0.000 2.163 331 I HA -0.390 3.787 4.170 0.012 0.000 0.243 331 I C 2.463 178.607 176.117 0.044 0.000 1.085 331 I CA 1.027 62.346 61.300 0.031 0.000 1.347 331 I CB -0.314 37.668 38.000 -0.031 0.000 1.044 331 I HN 0.311 nan 8.210 nan 0.000 0.408 332 C N -0.406 118.920 119.300 0.044 0.000 2.413 332 C HA -0.178 4.289 4.460 0.012 0.000 0.276 332 C C 3.319 178.279 174.990 -0.049 0.000 1.248 332 C CA 1.480 60.532 59.018 0.057 0.000 1.742 332 C CB -0.963 26.845 27.740 0.114 0.000 2.017 332 C HN 0.557 nan 8.230 nan 0.000 0.481 333 S N -0.793 114.907 115.700 0.001 0.000 2.368 333 S HA -0.168 4.309 4.470 0.012 0.000 0.225 333 S C 1.672 176.284 174.600 0.019 0.000 1.030 333 S CA 1.587 59.767 58.200 -0.034 0.000 0.999 333 S CB -0.397 62.803 63.200 -0.000 0.000 0.844 333 S HN 0.653 nan 8.310 nan 0.000 0.459 334 Y N 1.575 121.899 120.300 0.040 0.000 2.263 334 Y HA 0.161 4.718 4.550 0.011 0.000 0.292 334 Y C 2.659 178.644 175.900 0.141 0.000 1.130 334 Y CA 0.541 58.746 58.100 0.174 0.000 1.179 334 Y CB -0.918 37.691 38.460 0.249 0.000 0.998 334 Y HN 0.351 nan 8.280 nan 0.000 0.532 335 A N 0.080 122.980 122.820 0.133 0.000 1.883 335 A HA -0.309 4.018 4.320 0.012 0.000 0.217 335 A C 2.099 179.708 177.584 0.042 0.000 1.186 335 A CA 2.141 54.197 52.037 0.032 0.000 0.624 335 A CB -0.757 18.239 19.000 -0.007 0.000 0.822 335 A HN 0.538 nan 8.150 nan 0.000 0.444 336 Q N -0.948 118.809 119.800 -0.072 0.000 2.020 336 Q HA -0.083 4.264 4.340 0.012 0.000 0.202 336 Q C 2.290 178.272 176.000 -0.030 0.000 0.982 336 Q CA 1.311 57.037 55.803 -0.129 0.000 0.838 336 Q CB -0.531 28.014 28.738 -0.322 0.000 0.899 336 Q HN 0.675 nan 8.270 nan 0.000 0.423 337 G N -0.055 108.736 108.800 -0.016 0.000 2.440 337 G HA2 -0.243 3.724 3.960 0.012 0.000 0.218 337 G HA3 -0.243 3.724 3.960 0.012 0.000 0.218 337 G C 1.029 175.928 174.900 -0.002 0.000 1.154 337 G CA 0.605 45.683 45.100 -0.036 0.000 0.767 337 G HN 0.212 nan 8.290 nan 0.000 0.552 338 F N 1.512 121.483 119.950 0.034 0.000 2.259 338 F HA 0.202 4.735 4.527 0.010 0.000 0.298 338 F C 2.929 178.694 175.800 -0.058 0.000 1.088 338 F CA 0.675 58.697 58.000 0.036 0.000 1.358 338 F CB -0.094 38.973 39.000 0.111 0.000 1.040 338 F HN 0.231 nan 8.300 nan 0.000 0.505 339 A N -0.416 122.473 122.820 0.115 0.000 1.902 339 A HA -0.271 4.056 4.320 0.012 0.000 0.217 339 A C 2.156 179.759 177.584 0.032 0.000 1.181 339 A CA 1.834 53.897 52.037 0.043 0.000 0.623 339 A CB -0.902 18.131 19.000 0.056 0.000 0.818 339 A HN 0.460 nan 8.150 nan 0.000 0.443 340 Q N -0.753 119.072 119.800 0.042 0.000 2.050 340 Q HA -0.176 4.171 4.340 0.012 0.000 0.202 340 Q C 2.093 178.167 176.000 0.123 0.000 0.980 340 Q CA 1.941 57.789 55.803 0.075 0.000 0.840 340 Q CB -0.238 28.541 28.738 0.068 0.000 0.898 340 Q HN 0.679 nan 8.270 nan 0.000 0.424 341 M N 0.262 119.932 119.600 0.117 0.000 2.202 341 M HA -0.198 4.289 4.480 0.012 0.000 0.262 341 M C 2.282 178.701 176.300 0.197 0.000 1.063 341 M CA 1.589 57.010 55.300 0.202 0.000 1.097 341 M CB -0.232 32.442 32.600 0.123 0.000 1.382 341 M HN 0.175 nan 8.290 nan 0.000 0.413 342 K N 0.750 121.177 120.400 0.046 0.000 2.001 342 K HA -0.125 4.202 4.320 0.012 0.000 0.208 342 K C 2.030 178.660 176.600 0.049 0.000 1.048 342 K CA 1.467 57.774 56.287 0.033 0.000 0.932 342 K CB -0.142 32.257 32.500 -0.168 0.000 0.715 342 K HN 0.233 nan 8.250 nan 0.000 0.437 343 A N 1.257 124.082 122.820 0.008 0.000 1.892 343 A HA -0.205 4.122 4.320 0.012 0.000 0.218 343 A C 2.372 179.887 177.584 -0.115 0.000 1.188 343 A CA 2.304 54.321 52.037 -0.033 0.000 0.631 343 A CB -1.042 17.954 19.000 -0.006 0.000 0.822 343 A HN 0.543 nan 8.150 nan 0.000 0.447 344 A N -1.184 121.569 122.820 -0.112 0.000 1.902 344 A HA -0.099 4.228 4.320 0.012 0.000 0.217 344 A C 2.478 179.832 177.584 -0.382 0.000 1.181 344 A CA 2.176 54.027 52.037 -0.311 0.000 0.623 344 A CB -0.992 17.673 19.000 -0.558 0.000 0.818 344 A HN 0.556 nan 8.150 nan 0.000 0.443 345 S N -0.603 115.037 115.700 -0.101 0.000 2.368 345 S HA -0.203 4.274 4.470 0.012 0.000 0.225 345 S C 1.904 176.421 174.600 -0.139 0.000 1.030 345 S CA 1.771 59.966 58.200 -0.007 0.000 0.999 345 S CB -0.330 62.987 63.200 0.195 0.000 0.844 345 S HN 0.677 nan 8.310 nan 0.000 0.459 346 E N 0.219 120.344 120.200 -0.125 0.000 2.051 346 E HA -0.175 4.182 4.350 0.012 0.000 0.192 346 E C 2.160 178.593 176.600 -0.279 0.000 0.991 346 E CA 1.331 57.644 56.400 -0.144 0.000 0.799 346 E CB -0.202 29.444 29.700 -0.090 0.000 0.748 346 E HN 0.431 nan 8.360 nan 0.000 0.449 347 E N 0.332 120.267 120.200 -0.442 0.000 2.058 347 E HA -0.190 4.167 4.350 0.012 0.000 0.194 347 E C 1.071 177.190 176.600 -0.802 0.000 0.997 347 E CA 1.491 57.480 56.400 -0.685 0.000 0.801 347 E CB -0.121 28.976 29.700 -1.005 0.000 0.746 347 E HN 0.359 nan 8.360 nan 0.000 0.450 348 Y N -0.363 119.558 120.300 -0.632 0.000 2.467 348 Y HA 0.330 4.887 4.550 0.012 0.000 0.250 348 Y C -0.112 175.409 175.900 -0.631 0.000 1.155 348 Y CA 0.298 57.915 58.100 -0.805 0.000 1.249 348 Y CB -0.354 37.114 38.460 -1.652 0.000 1.146 348 Y HN 0.023 nan 8.280 nan 0.000 0.524 349 N N -1.659 116.853 118.700 -0.315 0.000 2.756 349 N HA -0.214 4.533 4.740 0.012 0.000 0.248 349 N C -0.223 175.338 175.510 0.084 0.000 1.062 349 N CA 0.418 53.416 53.050 -0.087 0.000 0.696 349 N CB -1.327 37.142 38.487 -0.031 0.000 0.946 349 N HN 0.352 nan 8.380 nan 0.000 0.548 350 W N 0.212 121.508 121.300 -0.007 0.000 2.942 350 W HA 0.224 4.890 4.660 0.010 0.000 0.263 350 W C 0.823 177.292 176.519 -0.083 0.000 1.296 350 W CA 0.222 57.535 57.345 -0.052 0.000 1.504 350 W CB -0.729 28.672 29.460 -0.098 0.000 1.096 350 W HN 0.237 nan 8.180 nan 0.000 0.639 351 N N 0.231 119.012 118.700 0.135 0.000 2.705 351 N HA -0.207 4.540 4.740 0.012 0.000 0.255 351 N C -0.650 174.803 175.510 -0.095 0.000 1.008 351 N CA -0.053 53.011 53.050 0.024 0.000 0.742 351 N CB -1.232 37.274 38.487 0.032 0.000 0.906 351 N HN -0.235 nan 8.380 nan 0.000 0.541 352 L N 0.373 121.497 121.223 -0.165 0.000 2.485 352 L HA 0.099 4.446 4.340 0.012 0.000 0.275 352 L C 0.943 177.354 176.870 -0.765 0.000 1.207 352 L CA 0.849 55.429 54.840 -0.433 0.000 0.855 352 L CB 0.391 42.201 42.059 -0.415 0.000 1.114 352 L HN 0.161 nan 8.230 nan 0.000 0.485 353 R N 3.054 123.199 120.500 -0.591 0.000 2.247 353 R HA 0.208 4.555 4.340 0.012 0.000 0.329 353 R C 0.178 176.178 176.300 -0.500 0.000 1.014 353 R CA -0.174 55.628 56.100 -0.497 0.000 0.907 353 R CB 0.283 30.443 30.300 -0.234 0.000 1.146 353 R HN 0.392 nan 8.270 nan 0.000 0.499 354 Y N 0.271 120.417 120.300 -0.256 0.000 2.293 354 Y HA -0.005 4.550 4.550 0.008 0.000 0.291 354 Y C 2.255 178.053 175.900 -0.169 0.000 1.137 354 Y CA 1.301 59.181 58.100 -0.366 0.000 1.202 354 Y CB -0.186 37.636 38.460 -1.065 0.000 0.990 354 Y HN 0.705 nan 8.280 nan 0.000 0.537 355 G N -0.111 108.711 108.800 0.037 0.000 2.408 355 G HA2 -0.217 3.750 3.960 0.012 0.000 0.217 355 G HA3 -0.217 3.750 3.960 0.012 0.000 0.217 355 G C 1.192 176.122 174.900 0.050 0.000 1.150 355 G CA 1.177 46.373 45.100 0.159 0.000 0.776 355 G HN 0.260 nan 8.290 nan 0.000 0.542 356 D N 0.494 120.877 120.400 -0.028 0.000 2.144 356 D HA -0.040 4.607 4.640 0.012 0.000 0.200 356 D C 2.500 178.723 176.300 -0.129 0.000 0.978 356 D CA 0.354 54.312 54.000 -0.070 0.000 0.833 356 D CB -0.101 40.639 40.800 -0.099 0.000 0.961 356 D HN 0.362 nan 8.370 nan 0.000 0.470 357 I N 0.842 121.309 120.570 -0.173 0.000 2.202 357 I HA -0.239 3.938 4.170 0.012 0.000 0.242 357 I C 2.395 178.245 176.117 -0.446 0.000 1.091 357 I CA 1.007 62.083 61.300 -0.373 0.000 1.368 357 I CB -0.165 37.630 38.000 -0.341 0.000 1.058 357 I HN -0.068 nan 8.210 nan 0.000 0.410 358 A N 0.384 123.189 122.820 -0.024 0.000 1.933 358 A HA -0.225 4.102 4.320 0.012 0.000 0.218 358 A C 2.329 179.966 177.584 0.090 0.000 1.175 358 A CA 1.557 53.686 52.037 0.154 0.000 0.628 358 A CB -0.594 18.529 19.000 0.206 0.000 0.814 358 A HN 0.334 nan 8.150 nan 0.000 0.444 359 M N -0.338 119.277 119.600 0.025 0.000 2.149 359 M HA -0.137 4.350 4.480 0.012 0.000 0.261 359 M C 2.073 178.397 176.300 0.040 0.000 1.064 359 M CA 2.025 57.346 55.300 0.035 0.000 1.102 359 M CB -0.484 32.122 32.600 0.010 0.000 1.369 359 M HN 0.718 nan 8.290 nan 0.000 0.408 360 I N -3.441 117.110 120.570 -0.032 0.000 3.419 360 I HA -0.052 4.125 4.170 0.012 0.000 0.286 360 I C 1.031 177.265 176.117 0.195 0.000 1.268 360 I CA 0.559 61.867 61.300 0.014 0.000 1.414 360 I CB -0.225 37.737 38.000 -0.064 0.000 1.074 360 I HN 0.001 nan 8.210 nan 0.000 0.457 361 F N 1.788 121.812 119.950 0.123 0.000 2.802 361 F HA 0.204 4.739 4.527 0.013 0.000 0.300 361 F C 2.403 178.308 175.800 0.176 0.000 1.168 361 F CA 0.340 58.449 58.000 0.182 0.000 1.433 361 F CB -0.967 38.213 39.000 0.301 0.000 1.115 361 F HN 0.142 nan 8.300 nan 0.000 0.582 362 R N -0.314 120.370 120.500 0.306 0.000 2.240 362 R HA 0.207 4.554 4.340 0.012 0.000 0.203 362 R C 0.798 177.197 176.300 0.166 0.000 1.011 362 R CA 0.593 56.826 56.100 0.222 0.000 1.007 362 R CB 0.052 30.446 30.300 0.157 0.000 0.911 362 R HN 0.305 nan 8.270 nan 0.000 0.468 363 G N -3.169 105.715 108.800 0.139 0.000 2.690 363 G HA2 0.444 4.411 3.960 0.012 0.000 0.291 363 G HA3 0.444 4.411 3.960 0.012 0.000 0.291 363 G C 0.107 175.040 174.900 0.053 0.000 1.403 363 G CA -0.163 44.988 45.100 0.085 0.000 0.864 363 G HN 0.113 nan 8.290 nan 0.000 0.480 364 G N -1.137 107.663 108.800 -0.001 0.000 2.708 364 G HA2 -0.315 3.652 3.960 0.012 0.000 0.229 364 G HA3 -0.315 3.652 3.960 0.012 0.000 0.229 364 G C 1.068 175.923 174.900 -0.074 0.000 1.236 364 G CA 0.783 45.860 45.100 -0.039 0.000 0.749 364 G HN 1.386 nan 8.290 nan 0.000 0.515 365 C N 1.880 121.168 119.300 -0.020 0.000 2.700 365 C HA 0.471 4.938 4.460 0.012 0.000 0.397 365 C C 2.362 177.368 174.990 0.026 0.000 1.301 365 C CA -0.062 58.954 59.018 -0.004 0.000 2.219 365 C CB 0.111 27.908 27.740 0.095 0.000 2.699 365 C HN 0.415 nan 8.230 nan 0.000 0.669 366 I N 1.980 122.629 120.570 0.132 0.000 2.439 366 I HA -0.108 4.069 4.170 0.012 0.000 0.251 366 I C 1.967 178.205 176.117 0.201 0.000 1.139 366 I CA 1.818 63.184 61.300 0.111 0.000 1.438 366 I CB -0.816 37.279 38.000 0.158 0.000 1.085 366 I HN 0.718 nan 8.210 nan 0.000 0.427 367 I N 0.291 120.963 120.570 0.169 0.000 3.646 367 I HA 0.042 4.219 4.170 0.012 0.000 0.301 367 I C 1.252 177.524 176.117 0.258 0.000 1.276 367 I CA -0.341 61.049 61.300 0.150 0.000 1.254 367 I CB -0.546 37.442 38.000 -0.021 0.000 1.020 367 I HN 0.112 nan 8.210 nan 0.000 0.473 368 R N 2.422 123.068 120.500 0.243 0.000 2.638 368 R HA 0.531 4.878 4.340 0.012 0.000 0.268 368 R C -0.465 175.996 176.300 0.267 0.000 1.006 368 R CA 0.438 56.690 56.100 0.252 0.000 1.088 368 R CB 0.133 30.538 30.300 0.175 0.000 0.950 368 R HN 0.338 nan 8.270 nan 0.000 0.419 369 A N 1.893 124.872 122.820 0.266 0.000 2.581 369 A HA 0.093 4.420 4.320 0.012 0.000 0.294 369 A C -0.005 177.730 177.584 0.252 0.000 1.035 369 A CA -0.633 51.560 52.037 0.261 0.000 0.684 369 A CB 1.507 20.680 19.000 0.287 0.000 1.282 369 A HN 0.706 nan 8.150 nan 0.000 0.417 370 Q N 0.824 120.758 119.800 0.223 0.000 2.084 370 Q HA -0.145 4.202 4.340 0.012 0.000 0.202 370 Q C 1.448 177.565 176.000 0.196 0.000 0.978 370 Q CA 3.012 58.919 55.803 0.175 0.000 0.844 370 Q CB -0.520 28.301 28.738 0.139 0.000 0.898 370 Q HN 1.115 nan 8.270 nan 0.000 0.426 371 F N 0.017 120.027 119.950 0.100 0.000 2.127 371 F HA -0.311 4.224 4.527 0.013 0.000 0.299 371 F C 1.465 177.301 175.800 0.059 0.000 1.068 371 F CA 1.480 59.544 58.000 0.107 0.000 1.263 371 F CB -0.281 38.783 39.000 0.106 0.000 1.016 371 F HN 0.201 nan 8.300 nan 0.000 0.491 372 L N 0.117 121.390 121.223 0.084 0.000 2.191 372 L HA -0.226 4.121 4.340 0.012 0.000 0.212 372 L C 2.409 179.266 176.870 -0.022 0.000 1.103 372 L CA 1.858 56.715 54.840 0.029 0.000 0.769 372 L CB -1.506 40.697 42.059 0.239 0.000 0.908 372 L HN 0.411 nan 8.230 nan 0.000 0.438 373 Q N -0.242 119.548 119.800 -0.017 0.000 2.170 373 Q HA -0.200 4.147 4.340 0.012 0.000 0.203 373 Q C 1.898 177.812 176.000 -0.143 0.000 0.976 373 Q CA 1.329 57.100 55.803 -0.053 0.000 0.858 373 Q CB 0.287 29.000 28.738 -0.042 0.000 0.907 373 Q HN 0.247 nan 8.270 nan 0.000 0.433 374 K N 0.077 120.327 120.400 -0.249 0.000 2.228 374 K HA -0.021 4.306 4.320 0.012 0.000 0.202 374 K C 1.876 178.368 176.600 -0.180 0.000 1.051 374 K CA 0.673 56.716 56.287 -0.407 0.000 0.960 374 K CB 0.005 32.004 32.500 -0.835 0.000 0.743 374 K HN 0.367 nan 8.250 nan 0.000 0.458 375 I N 1.116 121.610 120.570 -0.127 0.000 2.193 375 I HA -0.258 3.919 4.170 0.012 0.000 0.240 375 I C 2.559 178.646 176.117 -0.050 0.000 1.084 375 I CA 1.054 62.267 61.300 -0.146 0.000 1.365 375 I CB -0.267 37.526 38.000 -0.346 0.000 1.064 375 I HN 0.109 nan 8.210 nan 0.000 0.410 376 K N 1.710 122.115 120.400 0.008 0.000 2.020 376 K HA -0.269 4.058 4.320 0.012 0.000 0.212 376 K C 1.913 178.529 176.600 0.026 0.000 1.050 376 K CA 2.058 58.388 56.287 0.070 0.000 0.929 376 K CB -0.222 32.303 32.500 0.042 0.000 0.714 376 K HN 0.246 nan 8.250 nan 0.000 0.443 377 E N -0.146 120.023 120.200 -0.051 0.000 2.097 377 E HA -0.260 4.097 4.350 0.012 0.000 0.196 377 E C 2.012 178.568 176.600 -0.073 0.000 1.000 377 E CA 1.291 57.646 56.400 -0.075 0.000 0.804 377 E CB -0.254 29.359 29.700 -0.146 0.000 0.740 377 E HN 0.544 nan 8.360 nan 0.000 0.454 378 A N 0.443 123.193 122.820 -0.117 0.000 1.883 378 A HA -0.204 4.123 4.320 0.012 0.000 0.217 378 A C 1.810 179.255 177.584 -0.230 0.000 1.186 378 A CA 1.518 53.439 52.037 -0.194 0.000 0.624 378 A CB -0.793 18.037 19.000 -0.285 0.000 0.822 378 A HN 0.296 nan 8.150 nan 0.000 0.444 379 Y N 0.269 120.585 120.300 0.027 0.000 2.457 379 Y HA -0.064 4.492 4.550 0.009 0.000 0.292 379 Y C 2.089 178.020 175.900 0.051 0.000 1.125 379 Y CA 0.637 58.775 58.100 0.064 0.000 1.254 379 Y CB -0.341 38.187 38.460 0.113 0.000 1.012 379 Y HN 0.297 nan 8.280 nan 0.000 0.555 380 D N 0.086 120.567 120.400 0.135 0.000 2.092 380 D HA -0.195 4.452 4.640 0.012 0.000 0.193 380 D C 2.264 178.600 176.300 0.060 0.000 0.994 380 D CA 1.395 55.442 54.000 0.078 0.000 0.828 380 D CB -0.210 40.611 40.800 0.034 0.000 0.963 380 D HN 0.212 nan 8.370 nan 0.000 0.450 381 R N -0.144 120.375 120.500 0.031 0.000 2.075 381 R HA -0.087 4.260 4.340 0.012 0.000 0.232 381 R C -0.232 176.092 176.300 0.040 0.000 1.126 381 R CA 1.224 57.336 56.100 0.020 0.000 0.963 381 R CB 0.322 30.618 30.300 -0.007 0.000 0.858 381 R HN -0.038 nan 8.270 nan 0.000 0.435 382 D N -1.484 118.950 120.400 0.057 0.000 2.330 382 D HA 0.200 4.847 4.640 0.012 0.000 0.249 382 D C -2.235 174.183 176.300 0.196 0.000 1.306 382 D CA -2.162 51.893 54.000 0.091 0.000 0.956 382 D CB 1.777 42.610 40.800 0.055 0.000 1.261 382 D HN -0.125 nan 8.370 nan 0.000 0.544 383 P HA -0.034 nan 4.420 nan 0.000 0.221 383 P C 0.815 178.322 177.300 0.344 0.000 1.145 383 P CA 0.795 64.083 63.100 0.313 0.000 0.795 383 P CB 0.368 32.177 31.700 0.183 0.000 0.775 384 A N -1.403 121.560 122.820 0.238 0.000 2.275 384 A HA 0.111 4.438 4.320 0.012 0.000 0.212 384 A C 0.753 178.449 177.584 0.188 0.000 1.201 384 A CA -0.303 51.854 52.037 0.200 0.000 0.843 384 A CB -1.018 18.061 19.000 0.131 0.000 0.873 384 A HN 0.128 nan 8.150 nan 0.000 0.492 385 L N 1.653 123.003 121.223 0.212 0.000 2.678 385 L HA -0.074 4.273 4.340 0.012 0.000 0.285 385 L C 1.654 178.611 176.870 0.145 0.000 1.233 385 L CA 1.119 56.042 54.840 0.139 0.000 0.920 385 L CB 0.237 42.311 42.059 0.026 0.000 1.176 385 L HN 0.374 nan 8.230 nan 0.000 0.495 386 S N 3.062 118.823 115.700 0.102 0.000 2.446 386 S HA 0.081 4.558 4.470 0.012 0.000 0.225 386 S C 0.744 175.399 174.600 0.092 0.000 1.016 386 S CA 0.268 58.526 58.200 0.097 0.000 0.943 386 S CB -0.176 63.089 63.200 0.108 0.000 0.786 386 S HN 0.793 nan 8.310 nan 0.000 0.508 387 N N -0.200 118.547 118.700 0.079 0.000 2.371 387 N HA 0.284 5.031 4.740 0.012 0.000 0.280 387 N C 0.063 175.558 175.510 -0.025 0.000 1.084 387 N CA -0.324 52.740 53.050 0.024 0.000 0.892 387 N CB 1.586 40.070 38.487 -0.005 0.000 1.653 387 N HN 0.130 nan 8.380 nan 0.000 0.480 388 L N 2.526 123.686 121.223 -0.105 0.000 2.187 388 L HA -0.095 4.252 4.340 0.012 0.000 0.213 388 L C 2.125 178.950 176.870 -0.076 0.000 1.100 388 L CA 1.120 55.826 54.840 -0.224 0.000 0.765 388 L CB -0.073 41.666 42.059 -0.534 0.000 0.904 388 L HN 0.575 nan 8.230 nan 0.000 0.437 389 L N -0.704 120.508 121.223 -0.018 0.000 2.265 389 L HA -0.210 4.137 4.340 0.012 0.000 0.215 389 L C 2.209 179.166 176.870 0.144 0.000 1.117 389 L CA 0.916 55.817 54.840 0.102 0.000 0.782 389 L CB -0.323 41.817 42.059 0.135 0.000 0.914 389 L HN 0.338 nan 8.230 nan 0.000 0.441 390 L N -0.883 120.410 121.223 0.118 0.000 2.418 390 L HA -0.023 4.324 4.340 0.012 0.000 0.218 390 L C 0.747 177.665 176.870 0.080 0.000 1.125 390 L CA -0.081 54.822 54.840 0.105 0.000 0.835 390 L CB -0.415 41.703 42.059 0.099 0.000 0.953 390 L HN 0.217 nan 8.230 nan 0.000 0.454 391 D N -0.267 120.189 120.400 0.093 0.000 2.414 391 D HA -0.055 4.592 4.640 0.012 0.000 0.242 391 D C 1.426 177.776 176.300 0.082 0.000 1.129 391 D CA 0.385 54.437 54.000 0.087 0.000 0.885 391 D CB 1.150 42.036 40.800 0.143 0.000 1.198 391 D HN 0.074 nan 8.370 nan 0.000 0.437 392 S N 2.828 118.547 115.700 0.032 0.000 2.419 392 S HA -0.256 4.221 4.470 0.012 0.000 0.233 392 S C 1.920 176.498 174.600 -0.037 0.000 1.016 392 S CA 0.715 58.917 58.200 0.003 0.000 0.974 392 S CB -0.677 62.522 63.200 -0.002 0.000 0.786 392 S HN 0.730 nan 8.310 nan 0.000 0.492 393 Y N 1.610 121.792 120.300 -0.197 0.000 2.220 393 Y HA 0.065 4.621 4.550 0.011 0.000 0.291 393 Y C 1.647 177.322 175.900 -0.375 0.000 1.129 393 Y CA 1.137 59.031 58.100 -0.343 0.000 1.161 393 Y CB -0.449 37.683 38.460 -0.546 0.000 0.997 393 Y HN 0.210 nan 8.280 nan 0.000 0.522 394 F N 0.707 120.564 119.950 -0.155 0.000 2.234 394 F HA 0.002 4.536 4.527 0.010 0.000 0.296 394 F C 2.505 178.179 175.800 -0.211 0.000 1.089 394 F CA 1.439 59.298 58.000 -0.235 0.000 1.343 394 F CB -0.639 38.318 39.000 -0.072 0.000 1.040 394 F HN -0.064 nan 8.300 nan 0.000 0.498 395 K N 0.610 121.032 120.400 0.037 0.000 2.032 395 K HA -0.206 4.121 4.320 0.012 0.000 0.209 395 K C 1.463 178.020 176.600 -0.072 0.000 1.048 395 K CA 2.120 58.420 56.287 0.022 0.000 0.927 395 K CB -0.294 32.232 32.500 0.045 0.000 0.712 395 K HN 0.108 nan 8.250 nan 0.000 0.441 396 D N 0.792 121.101 120.400 -0.151 0.000 2.144 396 D HA -0.144 4.503 4.640 0.012 0.000 0.199 396 D C 1.886 178.009 176.300 -0.295 0.000 0.984 396 D CA 0.803 54.689 54.000 -0.191 0.000 0.834 396 D CB -0.016 40.667 40.800 -0.195 0.000 0.955 396 D HN 0.217 nan 8.370 nan 0.000 0.465 397 I N 0.764 121.068 120.570 -0.444 0.000 2.233 397 I HA -0.163 4.014 4.170 0.012 0.000 0.243 397 I C 2.579 178.430 176.117 -0.443 0.000 1.093 397 I CA 0.807 61.753 61.300 -0.591 0.000 1.380 397 I CB -0.864 36.760 38.000 -0.626 0.000 1.067 397 I HN 0.005 nan 8.210 nan 0.000 0.413 398 V N -0.677 119.084 119.914 -0.256 0.000 2.427 398 V HA -0.147 3.980 4.120 0.012 0.000 0.248 398 V C 2.293 178.262 176.094 -0.209 0.000 1.051 398 V CA 1.369 63.531 62.300 -0.231 0.000 1.048 398 V CB -0.910 30.770 31.823 -0.237 0.000 0.666 398 V HN 0.212 nan 8.190 nan 0.000 0.456 399 E N 0.950 121.081 120.200 -0.115 0.000 2.153 399 E HA -0.193 4.164 4.350 0.012 0.000 0.194 399 E C 2.259 178.838 176.600 -0.035 0.000 0.988 399 E CA 1.895 58.271 56.400 -0.039 0.000 0.811 399 E CB -0.421 29.276 29.700 -0.004 0.000 0.746 399 E HN 0.761 nan 8.360 nan 0.000 0.466 400 R N -0.722 119.738 120.500 -0.067 0.000 2.100 400 R HA -0.041 4.306 4.340 0.012 0.000 0.220 400 R C 1.369 177.777 176.300 0.180 0.000 1.091 400 R CA 0.664 56.775 56.100 0.018 0.000 0.986 400 R CB 0.062 30.340 30.300 -0.036 0.000 0.888 400 R HN 0.100 nan 8.270 nan 0.000 0.444 401 Y N 1.669 121.914 120.300 -0.092 0.000 2.466 401 Y HA 0.038 4.596 4.550 0.013 0.000 0.272 401 Y C 1.896 177.726 175.900 -0.116 0.000 1.169 401 Y CA 0.064 58.104 58.100 -0.099 0.000 1.285 401 Y CB -0.271 38.138 38.460 -0.085 0.000 1.078 401 Y HN 0.325 nan 8.280 nan 0.000 0.523 402 Q N 0.386 120.190 119.800 0.007 0.000 2.124 402 Q HA -0.171 4.176 4.340 0.012 0.000 0.202 402 Q C 1.123 177.119 176.000 -0.007 0.000 0.977 402 Q CA 1.770 57.531 55.803 -0.070 0.000 0.850 402 Q CB -0.511 28.142 28.738 -0.142 0.000 0.901 402 Q HN 0.336 nan 8.270 nan 0.000 0.429 403 D N 1.628 122.039 120.400 0.019 0.000 2.178 403 D HA -0.147 4.500 4.640 0.012 0.000 0.201 403 D C 1.824 178.135 176.300 0.017 0.000 0.980 403 D CA 1.427 55.447 54.000 0.033 0.000 0.842 403 D CB -0.324 40.505 40.800 0.048 0.000 0.948 403 D HN 0.412 nan 8.370 nan 0.000 0.472 404 A N 0.504 123.307 122.820 -0.027 0.000 1.897 404 A HA -0.006 4.321 4.320 0.012 0.000 0.215 404 A C 2.180 179.721 177.584 -0.073 0.000 1.181 404 A CA 0.999 52.983 52.037 -0.089 0.000 0.620 404 A CB -0.737 18.135 19.000 -0.213 0.000 0.821 404 A HN 0.238 nan 8.150 nan 0.000 0.443 405 L N 0.100 121.293 121.223 -0.051 0.000 2.017 405 L HA -0.117 4.230 4.340 0.012 0.000 0.208 405 L C 2.431 179.309 176.870 0.014 0.000 1.073 405 L CA 1.877 56.702 54.840 -0.026 0.000 0.745 405 L CB -0.662 41.386 42.059 -0.019 0.000 0.894 405 L HN 0.348 nan 8.230 nan 0.000 0.432 406 R N -0.569 119.948 120.500 0.028 0.000 2.103 406 R HA -0.234 4.113 4.340 0.012 0.000 0.242 406 R C 2.263 178.601 176.300 0.065 0.000 1.142 406 R CA 1.852 57.985 56.100 0.054 0.000 0.960 406 R CB -0.410 29.926 30.300 0.060 0.000 0.858 406 R HN 0.569 nan 8.270 nan 0.000 0.439 407 E N 0.480 120.718 120.200 0.063 0.000 2.072 407 E HA -0.155 4.202 4.350 0.012 0.000 0.190 407 E C 1.893 178.563 176.600 0.117 0.000 0.982 407 E CA 0.759 57.220 56.400 0.101 0.000 0.803 407 E CB 0.181 29.954 29.700 0.122 0.000 0.755 407 E HN 0.132 nan 8.360 nan 0.000 0.453 408 I N 1.048 121.653 120.570 0.060 0.000 2.226 408 I HA -0.210 3.967 4.170 0.012 0.000 0.245 408 I C 2.430 178.604 176.117 0.096 0.000 1.100 408 I CA 0.808 62.146 61.300 0.064 0.000 1.374 408 I CB -0.958 37.022 38.000 -0.035 0.000 1.057 408 I HN 0.114 nan 8.210 nan 0.000 0.413 409 V N 1.213 121.172 119.914 0.076 0.000 2.307 409 V HA -0.215 3.912 4.120 0.012 0.000 0.245 409 V C 2.816 178.963 176.094 0.088 0.000 1.045 409 V CA 1.710 64.058 62.300 0.080 0.000 1.024 409 V CB -1.129 30.738 31.823 0.073 0.000 0.651 409 V HN 0.435 nan 8.190 nan 0.000 0.449 410 A N -0.221 122.653 122.820 0.090 0.000 1.908 410 A HA -0.243 4.084 4.320 0.012 0.000 0.218 410 A C 2.398 180.042 177.584 0.101 0.000 1.181 410 A CA 2.651 54.741 52.037 0.088 0.000 0.627 410 A CB -1.016 18.036 19.000 0.087 0.000 0.818 410 A HN 0.507 nan 8.150 nan 0.000 0.445 411 T N 0.129 114.764 114.554 0.135 0.000 2.777 411 T HA 0.033 4.390 4.350 0.012 0.000 0.266 411 T C 2.249 177.024 174.700 0.124 0.000 1.040 411 T CA 1.492 63.684 62.100 0.155 0.000 1.141 411 T CB -0.455 68.565 68.868 0.253 0.000 0.868 411 T HN 0.600 nan 8.240 nan 0.000 0.444 412 A N 1.628 124.525 122.820 0.129 0.000 1.883 412 A HA 0.087 4.414 4.320 0.012 0.000 0.217 412 A C 2.663 180.294 177.584 0.079 0.000 1.186 412 A CA 1.971 54.072 52.037 0.107 0.000 0.624 412 A CB -1.224 17.845 19.000 0.115 0.000 0.822 412 A HN 0.504 nan 8.150 nan 0.000 0.444 413 A N -0.744 122.121 122.820 0.075 0.000 1.892 413 A HA -0.195 4.132 4.320 0.012 0.000 0.218 413 A C 2.141 179.755 177.584 0.050 0.000 1.188 413 A CA 2.271 54.344 52.037 0.059 0.000 0.631 413 A CB -0.503 18.531 19.000 0.058 0.000 0.822 413 A HN 0.444 nan 8.150 nan 0.000 0.447 414 M N -0.906 118.727 119.600 0.054 0.000 2.319 414 M HA 0.009 4.496 4.480 0.012 0.000 0.265 414 M C 1.797 178.119 176.300 0.036 0.000 1.068 414 M CA 1.147 56.474 55.300 0.044 0.000 1.118 414 M CB -0.993 31.637 32.600 0.050 0.000 1.395 414 M HN 0.389 nan 8.290 nan 0.000 0.435 415 R N -0.460 120.063 120.500 0.039 0.000 2.362 415 R HA 0.283 4.630 4.340 0.012 0.000 0.227 415 R C 0.916 177.220 176.300 0.007 0.000 0.905 415 R CA 0.492 56.605 56.100 0.021 0.000 1.067 415 R CB 0.278 30.589 30.300 0.018 0.000 1.078 415 R HN 0.499 nan 8.270 nan 0.000 0.516 416 G N 1.889 110.701 108.800 0.020 0.000 2.176 416 G HA2 -0.210 3.757 3.960 0.012 0.000 0.252 416 G HA3 -0.210 3.757 3.960 0.012 0.000 0.252 416 G C 0.001 174.914 174.900 0.023 0.000 1.024 416 G CA -0.223 44.887 45.100 0.016 0.000 0.755 416 G HN 0.132 nan 8.290 nan 0.000 0.507 417 I N 1.579 122.178 120.570 0.049 0.000 2.315 417 I HA 0.306 4.483 4.170 0.012 0.000 0.291 417 I C -1.761 174.439 176.117 0.138 0.000 1.006 417 I CA -3.179 58.185 61.300 0.107 0.000 1.265 417 I CB 0.753 38.823 38.000 0.117 0.000 1.387 417 I HN -0.066 nan 8.210 nan 0.000 0.475 418 P HA 0.124 nan 4.420 nan 0.000 0.276 418 P C -0.110 177.249 177.300 0.099 0.000 1.253 418 P CA -0.053 63.104 63.100 0.095 0.000 0.766 418 P CB 0.845 32.570 31.700 0.041 0.000 0.845 419 V N 1.908 121.873 119.914 0.085 0.000 2.468 419 V HA 0.268 4.395 4.120 0.012 0.000 0.256 419 V C -1.843 174.289 176.094 0.064 0.000 0.998 419 V CA -1.764 60.586 62.300 0.083 0.000 1.114 419 V CB 1.042 32.923 31.823 0.097 0.000 1.378 419 V HN 0.234 nan 8.190 nan 0.000 0.573 420 P HA -0.061 nan 4.420 nan 0.000 0.216 420 P C 1.723 179.053 177.300 0.051 0.000 1.150 420 P CA 2.220 65.352 63.100 0.052 0.000 0.837 420 P CB 0.178 31.907 31.700 0.048 0.000 0.786 421 G N -0.379 108.446 108.800 0.041 0.000 2.396 421 G HA2 -0.156 3.811 3.960 0.012 0.000 0.214 421 G HA3 -0.156 3.811 3.960 0.012 0.000 0.214 421 G C 1.761 176.685 174.900 0.040 0.000 1.166 421 G CA 0.700 45.818 45.100 0.031 0.000 0.793 421 G HN 0.201 nan 8.290 nan 0.000 0.533 422 S N 1.165 116.894 115.700 0.049 0.000 2.368 422 S HA -0.042 4.435 4.470 0.012 0.000 0.225 422 S C 2.760 177.398 174.600 0.064 0.000 1.030 422 S CA 1.275 59.505 58.200 0.051 0.000 0.999 422 S CB -0.351 62.879 63.200 0.050 0.000 0.844 422 S HN 0.556 nan 8.310 nan 0.000 0.459 423 A N 1.673 124.534 122.820 0.069 0.000 1.930 423 A HA -0.068 4.259 4.320 0.012 0.000 0.217 423 A C 2.346 179.985 177.584 0.092 0.000 1.175 423 A CA 1.820 53.905 52.037 0.079 0.000 0.627 423 A CB -0.858 18.186 19.000 0.074 0.000 0.815 423 A HN 0.613 nan 8.150 nan 0.000 0.443 424 S N 0.002 115.753 115.700 0.084 0.000 2.428 424 S HA 0.126 4.603 4.470 0.012 0.000 0.230 424 S C 2.002 176.675 174.600 0.121 0.000 1.014 424 S CA 1.131 59.388 58.200 0.095 0.000 0.957 424 S CB -0.470 62.773 63.200 0.071 0.000 0.784 424 S HN 0.805 nan 8.310 nan 0.000 0.499 425 A N 1.591 124.473 122.820 0.103 0.000 1.930 425 A HA 0.175 4.502 4.320 0.012 0.000 0.217 425 A C 2.182 179.898 177.584 0.219 0.000 1.175 425 A CA 1.356 53.474 52.037 0.135 0.000 0.627 425 A CB -0.744 18.304 19.000 0.080 0.000 0.815 425 A HN 0.521 nan 8.150 nan 0.000 0.443 426 L N -0.453 120.872 121.223 0.169 0.000 2.109 426 L HA 0.085 4.432 4.340 0.012 0.000 0.207 426 L C 2.595 179.596 176.870 0.218 0.000 1.086 426 L CA 1.911 56.864 54.840 0.189 0.000 0.760 426 L CB -0.652 41.485 42.059 0.129 0.000 0.910 426 L HN 0.308 nan 8.230 nan 0.000 0.437 427 A N -1.391 121.539 122.820 0.184 0.000 1.930 427 A HA -0.269 4.058 4.320 0.012 0.000 0.217 427 A C 2.264 179.968 177.584 0.200 0.000 1.175 427 A CA 1.664 53.799 52.037 0.164 0.000 0.627 427 A CB -1.101 17.980 19.000 0.134 0.000 0.815 427 A HN 0.617 nan 8.150 nan 0.000 0.443 428 Y N -1.199 119.168 120.300 0.112 0.000 2.145 428 Y HA -0.267 4.290 4.550 0.011 0.000 0.286 428 Y C 2.207 178.197 175.900 0.150 0.000 1.145 428 Y CA 2.043 60.211 58.100 0.114 0.000 1.148 428 Y CB -0.666 37.847 38.460 0.087 0.000 0.981 428 Y HN 0.429 nan 8.280 nan 0.000 0.507 429 Y N 1.122 121.486 120.300 0.108 0.000 2.145 429 Y HA -0.234 4.323 4.550 0.012 0.000 0.286 429 Y C 2.111 178.016 175.900 0.009 0.000 1.145 429 Y CA 2.268 60.384 58.100 0.027 0.000 1.148 429 Y CB -0.573 37.944 38.460 0.094 0.000 0.981 429 Y HN 0.158 nan 8.280 nan 0.000 0.507 430 D N -0.944 119.463 120.400 0.012 0.000 2.224 430 D HA -0.116 4.531 4.640 0.012 0.000 0.205 430 D C 2.273 178.512 176.300 -0.102 0.000 0.965 430 D CA 1.333 55.295 54.000 -0.064 0.000 0.852 430 D CB -0.058 40.777 40.800 0.057 0.000 0.947 430 D HN 0.333 nan 8.370 nan 0.000 0.494 431 S N -0.086 115.574 115.700 -0.066 0.000 2.345 431 S HA -0.149 4.328 4.470 0.012 0.000 0.219 431 S C 1.846 176.367 174.600 -0.131 0.000 1.031 431 S CA 0.368 58.530 58.200 -0.064 0.000 0.984 431 S CB -0.385 62.815 63.200 0.001 0.000 0.874 431 S HN 0.287 nan 8.310 nan 0.000 0.451 432 Y N 3.288 123.372 120.300 -0.361 0.000 2.207 432 Y HA -0.185 4.371 4.550 0.010 0.000 0.287 432 Y C 2.300 178.012 175.900 -0.313 0.000 1.156 432 Y CA 1.836 59.695 58.100 -0.402 0.000 1.182 432 Y CB -0.173 37.892 38.460 -0.658 0.000 0.979 432 Y HN 0.225 nan 8.280 nan 0.000 0.521 433 R N -0.882 119.399 120.500 -0.364 0.000 2.310 433 R HA 0.123 4.470 4.340 0.012 0.000 0.202 433 R C -0.195 175.947 176.300 -0.263 0.000 0.933 433 R CA 0.598 56.478 56.100 -0.366 0.000 1.054 433 R CB -0.478 29.559 30.300 -0.438 0.000 0.985 433 R HN 0.065 nan 8.270 nan 0.000 0.489 434 T N 0.761 115.181 114.554 -0.223 0.000 2.767 434 T HA 0.434 4.791 4.350 0.012 0.000 0.284 434 T C 0.849 175.465 174.700 -0.140 0.000 0.973 434 T CA -0.189 61.824 62.100 -0.146 0.000 0.996 434 T CB 1.769 70.576 68.868 -0.103 0.000 0.927 434 T HN 0.290 nan 8.240 nan 0.000 0.456 435 A N 3.712 126.464 122.820 -0.112 0.000 1.970 435 A HA 0.249 4.576 4.320 0.012 0.000 0.216 435 A C 0.832 178.376 177.584 -0.068 0.000 1.170 435 A CA 0.639 52.617 52.037 -0.098 0.000 0.645 435 A CB 0.270 19.222 19.000 -0.080 0.000 0.816 435 A HN 0.594 nan 8.150 nan 0.000 0.447 436 V N 1.385 121.267 119.914 -0.053 0.000 2.357 436 V HA 0.364 4.491 4.120 0.012 0.000 0.281 436 V C -0.388 175.689 176.094 -0.029 0.000 1.015 436 V CA -0.328 61.951 62.300 -0.034 0.000 0.827 436 V CB 1.038 32.846 31.823 -0.025 0.000 1.018 436 V HN 0.379 nan 8.190 nan 0.000 0.432 437 L N 6.044 127.251 121.223 -0.025 0.000 2.431 437 L HA 0.505 4.852 4.340 0.012 0.000 0.260 437 L C -0.958 175.908 176.870 -0.007 0.000 1.098 437 L CA -1.601 53.230 54.840 -0.016 0.000 0.800 437 L CB 1.626 43.677 42.059 -0.013 0.000 1.210 437 L HN 0.387 nan 8.230 nan 0.000 0.465 438 P HA 0.000 nan 4.420 nan 0.000 0.252 438 P C 0.577 177.876 177.300 -0.002 0.000 1.265 438 P CA 0.234 63.333 63.100 -0.003 0.000 0.775 438 P CB 0.209 31.909 31.700 -0.000 0.000 1.128 439 A N 1.640 124.463 122.820 0.004 0.000 2.172 439 A HA -0.161 4.166 4.320 0.012 0.000 0.216 439 A C 2.068 179.655 177.584 0.005 0.000 1.154 439 A CA 1.048 53.090 52.037 0.009 0.000 0.701 439 A CB -1.039 17.972 19.000 0.018 0.000 0.789 439 A HN 0.312 nan 8.150 nan 0.000 0.465 440 N N 0.673 119.373 118.700 0.001 0.000 2.149 440 N HA -0.197 4.550 4.740 0.012 0.000 0.188 440 N C 1.489 176.980 175.510 -0.031 0.000 1.019 440 N CA 1.760 54.806 53.050 -0.006 0.000 0.857 440 N CB -0.782 37.702 38.487 -0.006 0.000 0.997 440 N HN 0.411 nan 8.380 nan 0.000 0.426 441 L N 0.720 121.922 121.223 -0.035 0.000 2.056 441 L HA 0.129 4.476 4.340 0.012 0.000 0.207 441 L C 2.319 179.145 176.870 -0.074 0.000 1.078 441 L CA 1.063 55.866 54.840 -0.062 0.000 0.749 441 L CB -0.547 41.483 42.059 -0.049 0.000 0.901 441 L HN 0.094 nan 8.230 nan 0.000 0.433 442 I N -0.693 119.855 120.570 -0.037 0.000 2.163 442 I HA -0.299 3.878 4.170 0.012 0.000 0.243 442 I C 2.517 178.607 176.117 -0.045 0.000 1.085 442 I CA 1.069 62.355 61.300 -0.024 0.000 1.347 442 I CB -0.400 37.604 38.000 0.007 0.000 1.044 442 I HN 0.383 nan 8.210 nan 0.000 0.408 443 Q N 0.442 120.227 119.800 -0.026 0.000 2.084 443 Q HA -0.190 4.157 4.340 0.012 0.000 0.202 443 Q C 2.460 178.431 176.000 -0.048 0.000 0.978 443 Q CA 1.842 57.647 55.803 0.003 0.000 0.844 443 Q CB -0.417 28.363 28.738 0.070 0.000 0.898 443 Q HN 0.592 nan 8.270 nan 0.000 0.426 444 A N 1.110 123.848 122.820 -0.138 0.000 1.858 444 A HA -0.263 4.064 4.320 0.012 0.000 0.216 444 A C 2.117 179.402 177.584 -0.499 0.000 1.190 444 A CA 1.719 53.576 52.037 -0.300 0.000 0.617 444 A CB -0.659 18.158 19.000 -0.305 0.000 0.827 444 A HN 0.398 nan 8.150 nan 0.000 0.443 445 Q N -0.719 118.858 119.800 -0.371 0.000 2.062 445 Q HA -0.245 4.102 4.340 0.012 0.000 0.209 445 Q C 2.372 177.982 176.000 -0.651 0.000 0.996 445 Q CA 2.123 57.714 55.803 -0.354 0.000 0.859 445 Q CB -0.242 28.434 28.738 -0.103 0.000 0.920 445 Q HN 0.625 nan 8.270 nan 0.000 0.415 446 R N 0.097 120.262 120.500 -0.559 0.000 2.115 446 R HA -0.134 4.213 4.340 0.012 0.000 0.230 446 R C 1.749 177.832 176.300 -0.361 0.000 1.111 446 R CA 1.381 57.060 56.100 -0.700 0.000 0.976 446 R CB -0.125 30.065 30.300 -0.183 0.000 0.870 446 R HN 0.258 nan 8.270 nan 0.000 0.445 447 D N -0.469 119.872 120.400 -0.098 0.000 2.224 447 D HA -0.150 4.497 4.640 0.012 0.000 0.205 447 D C 1.494 177.841 176.300 0.078 0.000 0.965 447 D CA 0.697 54.809 54.000 0.188 0.000 0.852 447 D CB 0.085 41.233 40.800 0.580 0.000 0.947 447 D HN 0.135 nan 8.370 nan 0.000 0.494 448 Y N 0.191 120.177 120.300 -0.524 0.000 2.092 448 Y HA -0.167 4.390 4.550 0.011 0.000 0.282 448 Y C 1.853 177.680 175.900 -0.121 0.000 1.126 448 Y CA 2.087 59.847 58.100 -0.567 0.000 1.111 448 Y CB -0.651 37.344 38.460 -0.775 0.000 0.987 448 Y HN 0.107 nan 8.280 nan 0.000 0.489 449 F N -1.997 118.096 119.950 0.239 0.000 2.569 449 F HA 0.377 4.911 4.527 0.012 0.000 0.295 449 F C 1.850 177.713 175.800 0.104 0.000 1.115 449 F CA 0.810 58.920 58.000 0.184 0.000 1.450 449 F CB -0.866 38.214 39.000 0.134 0.000 1.107 449 F HN -0.048 nan 8.300 nan 0.000 0.563 450 G N -0.984 107.814 108.800 -0.004 0.000 3.274 450 G HA2 0.395 4.362 3.960 0.012 0.000 0.250 450 G HA3 0.395 4.362 3.960 0.012 0.000 0.250 450 G C 0.969 175.645 174.900 -0.374 0.000 1.024 450 G CA 0.025 45.050 45.100 -0.125 0.000 0.840 450 G HN 0.821 nan 8.290 nan 0.000 0.522 451 A N 0.529 123.293 122.820 -0.093 0.000 2.832 451 A HA -0.231 4.096 4.320 0.012 0.000 0.280 451 A C 1.226 178.752 177.584 -0.097 0.000 1.464 451 A CA 1.142 53.161 52.037 -0.030 0.000 0.804 451 A CB -2.484 16.386 19.000 -0.215 0.000 1.020 451 A HN 0.520 nan 8.150 nan 0.000 0.563 452 H N 0.323 119.447 119.070 0.089 0.000 2.556 452 H HA 0.118 4.681 4.556 0.012 0.000 0.268 452 H C 1.437 176.837 175.328 0.120 0.000 0.996 452 H CA 2.236 58.325 56.048 0.069 0.000 1.157 452 H CB -0.297 29.485 29.762 0.033 0.000 1.355 452 H HN 1.633 nan 8.280 nan 0.000 0.597 453 T N -1.107 113.642 114.554 0.324 0.000 0.541 453 T HA -0.222 4.135 4.350 0.012 0.000 0.774 453 T C -0.530 174.380 174.700 0.351 0.000 0.992 453 T CA 0.649 62.925 62.100 0.294 0.000 4.077 453 T CB -1.310 67.616 68.868 0.097 0.000 2.303 453 T HN 0.542 nan 8.240 nan 0.000 0.398 454 Y N -0.655 119.790 120.300 0.241 0.000 2.669 454 Y HA 0.922 5.479 4.550 0.012 0.000 0.335 454 Y C -0.156 175.905 175.900 0.268 0.000 1.116 454 Y CA -1.451 56.778 58.100 0.215 0.000 1.081 454 Y CB 1.093 39.679 38.460 0.211 0.000 1.297 454 Y HN 0.954 nan 8.280 nan 0.000 0.484 455 E N 0.724 121.144 120.200 0.368 0.000 2.249 455 E HA 0.604 4.961 4.350 0.012 0.000 0.263 455 E C -1.214 175.590 176.600 0.339 0.000 0.950 455 E CA -1.370 55.229 56.400 0.332 0.000 0.827 455 E CB 2.182 32.007 29.700 0.209 0.000 1.220 455 E HN 0.560 nan 8.360 nan 0.000 0.411 456 R N 0.164 120.796 120.500 0.220 0.000 2.711 456 R HA 0.197 4.544 4.340 0.012 0.000 0.284 456 R C 1.104 177.442 176.300 0.062 0.000 0.968 456 R CA -0.400 55.744 56.100 0.073 0.000 0.924 456 R CB 1.444 31.648 30.300 -0.160 0.000 1.162 456 R HN 0.402 nan 8.270 nan 0.000 0.465 457 V N -1.508 118.425 119.914 0.032 0.000 2.626 457 V HA -0.156 3.971 4.120 0.012 0.000 0.252 457 V C 1.060 177.162 176.094 0.013 0.000 1.067 457 V CA 1.928 64.241 62.300 0.022 0.000 1.081 457 V CB -0.461 31.367 31.823 0.010 0.000 0.686 457 V HN 0.864 nan 8.190 nan 0.000 0.468 458 D N 0.625 121.022 120.400 -0.004 0.000 2.389 458 D HA 0.121 4.768 4.640 0.012 0.000 0.206 458 D C 0.741 177.046 176.300 0.009 0.000 1.055 458 D CA 0.392 54.388 54.000 -0.006 0.000 0.856 458 D CB 0.100 40.886 40.800 -0.024 0.000 0.957 458 D HN 0.796 nan 8.370 nan 0.000 0.509 459 K N -0.629 119.787 120.400 0.027 0.000 2.551 459 K HA 0.495 4.822 4.320 0.012 0.000 0.269 459 K C -1.085 175.612 176.600 0.161 0.000 0.949 459 K CA -0.869 55.466 56.287 0.080 0.000 0.849 459 K CB 1.979 34.531 32.500 0.087 0.000 1.411 459 K HN -0.266 nan 8.250 nan 0.000 0.432 460 E N 0.230 120.514 120.200 0.140 0.000 2.383 460 E HA 0.518 4.875 4.350 0.012 0.000 0.264 460 E C -0.023 176.681 176.600 0.173 0.000 1.050 460 E CA 1.413 57.891 56.400 0.129 0.000 0.896 460 E CB 1.035 30.772 29.700 0.061 0.000 0.982 460 E HN 0.888 nan 8.360 nan 0.000 0.424 461 G N 1.493 110.336 108.800 0.071 0.000 2.351 461 G HA2 0.058 4.025 3.960 0.012 0.000 0.353 461 G HA3 0.058 4.025 3.960 0.012 0.000 0.353 461 G C -1.340 173.320 174.900 -0.399 0.000 1.358 461 G CA -0.816 44.136 45.100 -0.247 0.000 0.995 461 G HN 0.454 nan 8.290 nan 0.000 0.611 462 I N 0.354 120.504 120.570 -0.700 0.000 2.378 462 I HA 0.612 4.789 4.170 0.012 0.000 0.291 462 I C -0.735 174.909 176.117 -0.788 0.000 0.992 462 I CA -0.593 60.409 61.300 -0.498 0.000 1.154 462 I CB 1.346 39.186 38.000 -0.266 0.000 1.315 462 I HN 0.323 nan 8.210 nan 0.000 0.448 463 F N 4.097 123.836 119.950 -0.351 0.000 2.563 463 F HA 0.497 5.031 4.527 0.011 0.000 0.316 463 F C -0.141 175.328 175.800 -0.552 0.000 1.076 463 F CA -0.763 56.923 58.000 -0.523 0.000 0.921 463 F CB 1.618 40.145 39.000 -0.789 0.000 1.209 463 F HN 0.395 nan 8.300 nan 0.000 0.462 464 H N 0.016 118.994 119.070 -0.153 0.000 2.667 464 H HA 0.587 5.150 4.556 0.011 0.000 0.353 464 H C -1.338 174.032 175.328 0.070 0.000 1.072 464 H CA -0.441 55.622 56.048 0.025 0.000 1.214 464 H CB 1.805 31.577 29.762 0.018 0.000 1.600 464 H HN 0.563 nan 8.280 nan 0.000 0.527 465 T N 4.672 118.881 114.554 -0.576 0.000 2.823 465 T HA 0.179 4.536 4.350 0.012 0.000 0.279 465 T C -0.456 173.688 174.700 -0.928 0.000 0.998 465 T CA -0.934 60.707 62.100 -0.764 0.000 0.994 465 T CB 0.974 69.166 68.868 -1.127 0.000 0.960 465 T HN 0.519 nan 8.240 nan 0.000 0.448 466 E N 2.789 122.660 120.200 -0.549 0.000 1.814 466 E HA 0.049 4.406 4.350 0.012 0.000 0.264 466 E C 0.077 176.503 176.600 -0.290 0.000 1.179 466 E CA -0.049 56.182 56.400 -0.280 0.000 0.972 466 E CB 0.200 29.821 29.700 -0.131 0.000 1.077 466 E HN 0.735 nan 8.360 nan 0.000 0.417 467 W N 1.432 122.551 121.300 -0.301 0.000 2.374 467 W HA -0.080 4.586 4.660 0.011 0.000 0.288 467 W C 1.205 177.537 176.519 -0.312 0.000 1.218 467 W CA 0.115 57.234 57.345 -0.376 0.000 1.245 467 W CB -0.020 28.963 29.460 -0.796 0.000 1.126 467 W HN 0.310 nan 8.180 nan 0.000 0.545 468 L N 2.350 123.524 121.223 -0.081 0.000 2.650 468 L HA 0.062 4.409 4.340 0.012 0.000 0.239 468 L C 0.390 177.262 176.870 0.004 0.000 1.412 468 L CA 0.088 54.914 54.840 -0.023 0.000 1.219 468 L CB -1.530 40.521 42.059 -0.012 0.000 1.534 468 L HN 0.031 nan 8.230 nan 0.000 0.430 469 K N 0.000 120.405 120.400 0.008 0.000 2.780 469 K HA 0.000 4.327 4.320 0.012 0.000 0.191 469 K CA 0.000 56.286 56.287 -0.002 0.000 0.838 469 K CB 0.000 32.513 32.500 0.022 0.000 1.064 469 K HN 0.000 nan 8.250 nan 0.000 0.543