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 3bow_1_A DATA FIRST_RESID 23 DATA SEQUENCE RAIKYLNQDY ETLRNECLEA GALFQDPSFP ALPSSLGFKE LGPYSSKTRG DATA SEQUENCE IEWKRPTEIC ADPQFIIGGA TRTDICQGAL GDSWLLAAIA SLTLNEEILA DATA SEQUENCE RVVPLDQSFQ ENYAGIFHFQ FWQYGEWVEV VVDDRLPTKD GELLFVHSAE DATA SEQUENCE GSEFWSALLE KAYAKINGCY EALSGGATTE GFEDFTGGIA EWYELRKPPP DATA SEQUENCE NLFKIIQKAL EKGSLLGCSI DITSAADSEA VTYQKLVKGH AYSVTGAEEV DATA SEQUENCE ESSGSLQKLI RIRNPWGQVE WTGKWNDNCP SWNTVDPEVR ANLTERQEDG DATA SEQUENCE EFWMSFSDFL RHYSRLEICN LTPDTLTCDS YKKWKLTKMD GNWRRGSTAG DATA SEQUENCE GCRNYPNTFW MNPQYLIKLE EEDEDDEDGE RGCTFLVGLI QKHRRRQRKM DATA SEQUENCE GEDMHTIGFG IYEVPEELTG QTNIHLSKNF FLTTRARERS DTFINLREVL DATA SEQUENCE NRFKLPPGEY VLVPSTFEPH KNGDFCIRVF SEKKADYXXV DDEIEANIEE DATA SEQUENCE IEANEEDIGD GFRRLFAQLA GEDAEISAFE LQTILRRVLA KREDIKSDGF DATA SEQUENCE SIETCKIMVD MLDEDGSGKL GLKEFYILWT KIQKYQKIYR EIDVDRSGTM DATA SEQUENCE NSYEMRKALE EAGFKLPCQL HQVIVARFAD DELIIDFDNF VRCLVRLEIL DATA SEQUENCE FKIFKQLDPE NTGTIQLDLI SWLSFSVLGK LA 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 23 R HA 0.000 nan 4.340 nan 0.000 0.208 23 R C 0.000 176.343 176.300 0.071 0.000 0.893 23 R CA 0.000 56.126 56.100 0.043 0.000 0.921 23 R CB 0.000 30.328 30.300 0.047 0.000 0.687 24 A N 2.310 125.190 122.820 0.100 0.000 2.538 24 A HA 0.519 4.840 4.320 0.001 0.000 0.306 24 A C -1.063 176.604 177.584 0.138 0.000 0.999 24 A CA -0.753 51.378 52.037 0.156 0.000 0.829 24 A CB 0.409 19.507 19.000 0.163 0.000 1.143 24 A HN 1.310 nan 8.150 nan 0.000 0.378 25 I N 1.645 122.305 120.570 0.149 0.000 2.826 25 I HA 0.015 4.186 4.170 0.001 0.000 0.295 25 I C 0.824 177.036 176.117 0.158 0.000 1.213 25 I CA 0.812 62.192 61.300 0.134 0.000 1.436 25 I CB -0.197 37.883 38.000 0.134 0.000 1.348 25 I HN 0.612 nan 8.210 nan 0.000 0.570 26 K N 6.435 126.915 120.400 0.134 0.000 2.263 26 K HA 0.125 4.445 4.320 0.001 0.000 0.282 26 K C -0.445 176.264 176.600 0.181 0.000 1.089 26 K CA -0.544 55.831 56.287 0.147 0.000 0.907 26 K CB 0.344 32.898 32.500 0.089 0.000 1.148 26 K HN 0.314 nan 8.250 nan 0.000 0.470 27 Y N 4.453 124.812 120.300 0.097 0.000 2.632 27 Y HA -0.089 4.462 4.550 0.002 0.000 0.329 27 Y C 0.773 176.724 175.900 0.085 0.000 1.174 27 Y CA 0.365 58.520 58.100 0.092 0.000 1.469 27 Y CB -0.007 38.524 38.460 0.118 0.000 1.242 27 Y HN 0.659 nan 8.280 nan 0.000 0.540 28 L N 4.035 125.011 121.223 -0.412 0.000 4.496 28 L HA -0.484 3.857 4.340 0.001 0.000 0.419 28 L C 0.552 177.354 176.870 -0.114 0.000 1.139 28 L CA 0.723 55.360 54.840 -0.339 0.000 0.975 28 L CB -1.740 40.074 42.059 -0.410 0.000 2.099 28 L HN 0.865 nan 8.230 nan 0.000 0.818 29 N N -0.625 118.048 118.700 -0.045 0.000 2.708 29 N HA -0.199 4.542 4.740 0.001 0.000 0.251 29 N C 0.247 175.758 175.510 0.002 0.000 1.123 29 N CA 1.516 54.562 53.050 -0.007 0.000 0.739 29 N CB -0.772 37.707 38.487 -0.014 0.000 1.113 29 N HN 0.707 nan 8.380 nan 0.000 0.561 30 Q N 0.649 120.462 119.800 0.021 0.000 2.314 30 Q HA 0.254 4.595 4.340 0.001 0.000 0.257 30 Q C -0.417 175.598 176.000 0.025 0.000 0.975 30 Q CA -0.285 55.537 55.803 0.032 0.000 0.933 30 Q CB 0.959 29.748 28.738 0.085 0.000 1.195 30 Q HN 0.091 nan 8.270 nan 0.000 0.426 31 D N 1.181 121.565 120.400 -0.027 0.000 2.280 31 D HA 0.003 4.644 4.640 0.001 0.000 0.243 31 D C 0.232 176.462 176.300 -0.118 0.000 1.129 31 D CA -0.239 53.734 54.000 -0.044 0.000 0.848 31 D CB 0.628 41.390 40.800 -0.063 0.000 1.107 31 D HN 0.510 nan 8.370 nan 0.000 0.471 32 Y N 3.789 123.949 120.300 -0.232 0.000 2.053 32 Y HA -0.236 4.315 4.550 0.002 0.000 0.277 32 Y C 1.619 177.289 175.900 -0.384 0.000 1.159 32 Y CA 1.881 59.754 58.100 -0.379 0.000 1.125 32 Y CB 0.166 38.261 38.460 -0.608 0.000 0.969 32 Y HN 0.539 nan 8.280 nan 0.000 0.492 33 E N -0.755 119.193 120.200 -0.421 0.000 2.106 33 E HA -0.162 4.189 4.350 0.001 0.000 0.192 33 E C 2.086 178.457 176.600 -0.383 0.000 0.984 33 E CA 1.635 57.760 56.400 -0.458 0.000 0.806 33 E CB -0.165 29.418 29.700 -0.194 0.000 0.750 33 E HN 0.522 nan 8.360 nan 0.000 0.458 34 T N 1.590 115.976 114.554 -0.280 0.000 2.674 34 T HA -0.121 4.230 4.350 0.001 0.000 0.265 34 T C 1.987 176.522 174.700 -0.275 0.000 1.039 34 T CA 0.887 62.852 62.100 -0.225 0.000 1.150 34 T CB -0.184 68.590 68.868 -0.156 0.000 0.864 34 T HN 0.084 nan 8.240 nan 0.000 0.427 35 L N 0.472 121.481 121.223 -0.356 0.000 2.093 35 L HA 0.009 4.350 4.340 0.001 0.000 0.208 35 L C 2.818 179.388 176.870 -0.499 0.000 1.085 35 L CA 1.116 55.702 54.840 -0.423 0.000 0.755 35 L CB -0.484 41.203 42.059 -0.620 0.000 0.904 35 L HN 0.169 nan 8.230 nan 0.000 0.435 36 R N 0.488 120.603 120.500 -0.642 0.000 2.073 36 R HA -0.160 4.181 4.340 0.001 0.000 0.234 36 R C 2.087 178.150 176.300 -0.396 0.000 1.134 36 R CA 1.793 57.527 56.100 -0.611 0.000 0.952 36 R CB -0.109 29.659 30.300 -0.886 0.000 0.850 36 R HN 0.312 nan 8.270 nan 0.000 0.433 37 N N 0.823 119.314 118.700 -0.348 0.000 2.166 37 N HA -0.154 4.587 4.740 0.001 0.000 0.186 37 N C 1.443 176.848 175.510 -0.175 0.000 1.019 37 N CA 1.647 54.557 53.050 -0.233 0.000 0.856 37 N CB -0.155 38.212 38.487 -0.200 0.000 0.993 37 N HN 0.437 nan 8.380 nan 0.000 0.426 38 E N -0.188 119.909 120.200 -0.171 0.000 2.106 38 E HA -0.079 4.272 4.350 0.001 0.000 0.192 38 E C 1.946 178.486 176.600 -0.100 0.000 0.984 38 E CA 0.843 57.173 56.400 -0.117 0.000 0.806 38 E CB -0.087 29.554 29.700 -0.099 0.000 0.750 38 E HN 0.326 nan 8.360 nan 0.000 0.458 39 C N 0.672 119.897 119.300 -0.125 0.000 2.446 39 C HA -0.080 4.381 4.460 0.001 0.000 0.277 39 C C 2.593 177.519 174.990 -0.106 0.000 1.275 39 C CA 0.374 59.334 59.018 -0.097 0.000 1.727 39 C CB -0.845 26.830 27.740 -0.109 0.000 2.010 39 C HN 0.395 nan 8.230 nan 0.000 0.486 40 L N 0.500 121.639 121.223 -0.140 0.000 2.017 40 L HA -0.190 4.151 4.340 0.001 0.000 0.208 40 L C 2.578 179.401 176.870 -0.079 0.000 1.073 40 L CA 1.717 56.488 54.840 -0.115 0.000 0.745 40 L CB -0.725 41.255 42.059 -0.133 0.000 0.894 40 L HN 0.416 nan 8.230 nan 0.000 0.432 41 E N -0.184 119.968 120.200 -0.081 0.000 2.204 41 E HA -0.158 4.193 4.350 0.001 0.000 0.194 41 E C 2.015 178.587 176.600 -0.045 0.000 0.989 41 E CA 0.970 57.335 56.400 -0.060 0.000 0.824 41 E CB -0.077 29.585 29.700 -0.063 0.000 0.756 41 E HN 0.484 nan 8.360 nan 0.000 0.477 42 A N 0.174 122.966 122.820 -0.047 0.000 2.218 42 A HA 0.256 4.577 4.320 0.001 0.000 0.209 42 A C 1.717 179.285 177.584 -0.026 0.000 1.168 42 A CA 0.624 52.642 52.037 -0.032 0.000 0.804 42 A CB -0.295 18.688 19.000 -0.028 0.000 0.834 42 A HN 0.287 nan 8.150 nan 0.000 0.482 43 G N -1.286 107.495 108.800 -0.032 0.000 2.258 43 G HA2 0.048 4.009 3.960 0.001 0.000 0.274 43 G HA3 0.048 4.009 3.960 0.001 0.000 0.274 43 G C 0.356 175.245 174.900 -0.017 0.000 1.021 43 G CA 0.717 45.804 45.100 -0.021 0.000 0.798 43 G HN 1.541 nan 8.290 nan 0.000 0.507 44 A N -0.891 121.912 122.820 -0.028 0.000 2.299 44 A HA 0.902 5.223 4.320 0.001 0.000 0.332 44 A C 0.111 177.674 177.584 -0.035 0.000 1.131 44 A CA -0.745 51.282 52.037 -0.017 0.000 0.844 44 A CB 1.107 20.104 19.000 -0.005 0.000 1.251 44 A HN 0.736 nan 8.150 nan 0.000 0.486 45 L N 0.994 122.209 121.223 -0.013 0.000 2.307 45 L HA 0.377 4.717 4.340 0.001 0.000 0.284 45 L C -0.416 176.490 176.870 0.059 0.000 1.023 45 L CA -0.564 54.264 54.840 -0.020 0.000 0.810 45 L CB 1.276 43.339 42.059 0.007 0.000 1.231 45 L HN 0.749 nan 8.230 nan 0.000 0.423 46 F N 3.293 123.189 119.950 -0.091 0.000 2.602 46 F HA 0.040 4.567 4.527 0.001 0.000 0.385 46 F C 0.151 175.963 175.800 0.021 0.000 1.063 46 F CA 0.010 57.985 58.000 -0.043 0.000 1.233 46 F CB 0.251 39.217 39.000 -0.057 0.000 1.067 46 F HN 0.425 nan 8.300 nan 0.000 0.564 47 Q N 4.978 124.444 119.800 -0.557 0.000 2.381 47 Q HA 0.132 4.473 4.340 0.001 0.000 0.263 47 Q C -1.165 174.326 176.000 -0.849 0.000 1.030 47 Q CA -0.918 54.561 55.803 -0.540 0.000 0.772 47 Q CB 1.395 29.983 28.738 -0.249 0.000 1.232 47 Q HN 0.510 nan 8.270 nan 0.000 0.476 48 D N 4.528 124.444 120.400 -0.807 0.000 2.342 48 D HA 0.044 4.685 4.640 0.001 0.000 0.260 48 D C -1.363 174.819 176.300 -0.197 0.000 1.278 48 D CA -1.858 51.839 54.000 -0.505 0.000 0.910 48 D CB 1.111 41.854 40.800 -0.094 0.000 1.079 48 D HN 0.266 nan 8.370 nan 0.000 0.496 49 P HA -0.097 nan 4.420 nan 0.000 0.226 49 P C 0.870 178.164 177.300 -0.010 0.000 1.153 49 P CA 0.570 63.628 63.100 -0.070 0.000 0.777 49 P CB 0.247 31.922 31.700 -0.043 0.000 0.794 50 S N -1.979 113.751 115.700 0.051 0.000 2.503 50 S HA 0.095 4.565 4.470 0.001 0.000 0.217 50 S C 0.517 175.254 174.600 0.229 0.000 0.999 50 S CA -0.311 57.951 58.200 0.104 0.000 0.914 50 S CB -0.668 62.588 63.200 0.093 0.000 0.782 50 S HN 0.114 nan 8.310 nan 0.000 0.520 51 F N 3.189 123.151 119.950 0.020 0.000 2.794 51 F HA 0.473 5.001 4.527 0.002 0.000 0.353 51 F C -2.917 172.844 175.800 -0.066 0.000 1.371 51 F CA -2.108 55.914 58.000 0.038 0.000 1.173 51 F CB 1.390 40.471 39.000 0.135 0.000 1.693 51 F HN 0.012 nan 8.300 nan 0.000 0.606 52 P HA 0.210 nan 4.420 nan 0.000 0.276 52 P C -0.569 176.279 177.300 -0.753 0.000 1.252 52 P CA -0.409 62.465 63.100 -0.375 0.000 0.802 52 P CB 1.157 32.695 31.700 -0.270 0.000 1.035 53 A N 2.420 124.739 122.820 -0.835 0.000 3.030 53 A HA 0.403 4.723 4.320 0.001 0.000 0.273 53 A C 0.042 176.922 177.584 -1.173 0.000 1.841 53 A CA 0.211 51.310 52.037 -1.564 0.000 1.479 53 A CB -1.623 16.841 19.000 -0.893 0.000 1.048 53 A HN 0.441 nan 8.150 nan 0.000 0.612 54 L N 0.506 121.176 121.223 -0.920 0.000 2.479 54 L HA 0.381 4.722 4.340 0.001 0.000 0.255 54 L C -1.919 174.913 176.870 -0.062 0.000 1.026 54 L CA -2.159 52.478 54.840 -0.338 0.000 0.842 54 L CB 2.335 44.245 42.059 -0.250 0.000 1.444 54 L HN 0.109 nan 8.230 nan 0.000 0.409 55 P HA -0.161 nan 4.420 nan 0.000 0.219 55 P C 1.411 178.780 177.300 0.115 0.000 1.146 55 P CA 1.379 64.549 63.100 0.118 0.000 0.808 55 P CB 0.153 31.873 31.700 0.032 0.000 0.779 56 S N -1.612 114.118 115.700 0.050 0.000 2.399 56 S HA -0.106 4.364 4.470 0.001 0.000 0.231 56 S C 1.892 176.557 174.600 0.108 0.000 1.022 56 S CA 1.486 59.733 58.200 0.079 0.000 0.983 56 S CB -1.364 61.858 63.200 0.037 0.000 0.803 56 S HN 0.071 nan 8.310 nan 0.000 0.480 57 S N 1.637 117.341 115.700 0.006 0.000 2.489 57 S HA 0.279 4.750 4.470 0.001 0.000 0.228 57 S C 1.603 176.435 174.600 0.387 0.000 0.995 57 S CA 0.494 58.644 58.200 -0.085 0.000 0.934 57 S CB -0.368 62.362 63.200 -0.782 0.000 0.771 57 S HN 0.442 nan 8.310 nan 0.000 0.522 58 L N 0.329 121.811 121.223 0.432 0.000 2.102 58 L HA 0.274 4.615 4.340 0.001 0.000 0.202 58 L C 1.420 178.471 176.870 0.302 0.000 1.076 58 L CA 0.737 55.840 54.840 0.437 0.000 0.761 58 L CB -0.421 41.830 42.059 0.320 0.000 0.921 58 L HN 0.468 nan 8.230 nan 0.000 0.444 59 G N -1.673 107.257 108.800 0.216 0.000 2.341 59 G HA2 0.241 4.202 3.960 0.001 0.000 0.299 59 G HA3 0.241 4.202 3.960 0.001 0.000 0.299 59 G C -0.904 174.075 174.900 0.132 0.000 1.274 59 G CA -0.011 45.128 45.100 0.065 0.000 0.853 59 G HN 0.052 nan 8.290 nan 0.000 0.493 60 F N -2.042 117.990 119.950 0.137 0.000 2.938 60 F HA 0.576 5.104 4.527 0.001 0.000 0.370 60 F C 1.053 176.930 175.800 0.130 0.000 0.981 60 F CA 0.205 58.282 58.000 0.128 0.000 1.108 60 F CB 0.709 39.779 39.000 0.117 0.000 1.086 60 F HN 0.612 nan 8.300 nan 0.000 0.569 61 K N 0.610 120.900 120.400 -0.183 0.000 2.722 61 K HA 0.186 4.507 4.320 0.001 0.000 0.239 61 K C 1.392 177.958 176.600 -0.056 0.000 1.658 61 K CA 0.340 56.623 56.287 -0.007 0.000 0.908 61 K CB 0.177 32.718 32.500 0.068 0.000 2.016 61 K HN -0.107 nan 8.250 nan 0.000 0.370 62 E N 1.097 121.216 120.200 -0.135 0.000 2.268 62 E HA -0.060 4.290 4.350 0.001 0.000 0.195 62 E C 1.257 177.830 176.600 -0.045 0.000 0.995 62 E CA 0.946 57.309 56.400 -0.062 0.000 0.836 62 E CB 0.335 30.002 29.700 -0.055 0.000 0.763 62 E HN 0.340 nan 8.360 nan 0.000 0.491 63 L N -0.298 120.872 121.223 -0.088 0.000 3.267 63 L HA 0.291 4.632 4.340 0.001 0.000 0.289 63 L C 0.984 177.859 176.870 0.009 0.000 1.260 63 L CA -0.509 54.323 54.840 -0.013 0.000 1.034 63 L CB 1.018 43.098 42.059 0.035 0.000 1.413 63 L HN -0.096 nan 8.230 nan 0.000 0.594 64 G N 0.505 109.307 108.800 0.003 0.000 2.588 64 G HA2 0.242 4.203 3.960 0.001 0.000 0.278 64 G HA3 0.242 4.203 3.960 0.001 0.000 0.278 64 G C -1.819 173.096 174.900 0.024 0.000 1.307 64 G CA -0.747 44.389 45.100 0.060 0.000 1.016 64 G HN -0.052 nan 8.290 nan 0.000 0.503 65 P HA -0.030 nan 4.420 nan 0.000 0.222 65 P C 0.222 177.308 177.300 -0.357 0.000 1.147 65 P CA 1.110 64.052 63.100 -0.264 0.000 0.790 65 P CB 0.059 31.467 31.700 -0.487 0.000 0.780 66 Y N -2.031 118.297 120.300 0.046 0.000 2.555 66 Y HA 0.314 4.864 4.550 0.001 0.000 0.259 66 Y C 0.987 176.904 175.900 0.029 0.000 1.179 66 Y CA -0.300 57.822 58.100 0.037 0.000 1.230 66 Y CB 0.041 38.526 38.460 0.041 0.000 1.146 66 Y HN -0.190 nan 8.280 nan 0.000 0.526 67 S N 0.269 116.040 115.700 0.119 0.000 2.457 67 S HA 0.175 4.646 4.470 0.001 0.000 0.289 67 S C 1.255 175.882 174.600 0.044 0.000 1.163 67 S CA -0.132 58.113 58.200 0.076 0.000 1.078 67 S CB 0.653 63.882 63.200 0.048 0.000 0.987 67 S HN 0.409 nan 8.310 nan 0.000 0.482 68 S N 4.518 120.241 115.700 0.039 0.000 2.547 68 S HA -0.015 4.456 4.470 0.001 0.000 0.235 68 S C 1.185 175.786 174.600 0.001 0.000 0.980 68 S CA 0.480 58.692 58.200 0.020 0.000 0.941 68 S CB -0.312 62.900 63.200 0.020 0.000 0.763 68 S HN 0.801 nan 8.310 nan 0.000 0.532 69 K N 1.245 121.645 120.400 -0.000 0.000 2.366 69 K HA 0.003 4.323 4.320 0.001 0.000 0.198 69 K C 1.947 178.528 176.600 -0.032 0.000 1.044 69 K CA 1.331 57.607 56.287 -0.018 0.000 0.973 69 K CB -0.296 32.197 32.500 -0.011 0.000 0.767 69 K HN 0.706 nan 8.250 nan 0.000 0.475 70 T N -1.764 112.780 114.554 -0.018 0.000 3.107 70 T HA 0.147 4.498 4.350 0.001 0.000 0.249 70 T C 0.606 175.290 174.700 -0.027 0.000 1.096 70 T CA -0.431 61.656 62.100 -0.022 0.000 1.012 70 T CB 0.086 68.957 68.868 0.005 0.000 0.977 70 T HN -0.144 nan 8.240 nan 0.000 0.527 71 R N 1.218 121.702 120.500 -0.025 0.000 2.489 71 R HA 0.503 4.844 4.340 0.001 0.000 0.287 71 R C 1.611 177.887 176.300 -0.039 0.000 1.053 71 R CA 1.123 57.209 56.100 -0.024 0.000 1.036 71 R CB -0.117 30.173 30.300 -0.017 0.000 0.966 71 R HN 0.410 nan 8.270 nan 0.000 0.432 72 G N 2.302 111.083 108.800 -0.032 0.000 2.179 72 G HA2 -0.289 3.672 3.960 0.001 0.000 0.260 72 G HA3 -0.289 3.672 3.960 0.001 0.000 0.260 72 G C 0.227 175.090 174.900 -0.061 0.000 0.977 72 G CA -0.180 44.895 45.100 -0.042 0.000 0.641 72 G HN 0.519 nan 8.290 nan 0.000 0.533 73 I N 1.354 121.885 120.570 -0.065 0.000 2.471 73 I HA 0.345 4.516 4.170 0.001 0.000 0.286 73 I C 0.371 176.467 176.117 -0.035 0.000 1.079 73 I CA 0.335 61.571 61.300 -0.107 0.000 1.398 73 I CB 0.702 38.618 38.000 -0.139 0.000 1.403 73 I HN 0.175 nan 8.210 nan 0.000 0.530 74 E N 5.188 125.348 120.200 -0.068 0.000 2.248 74 E HA 0.299 4.650 4.350 0.001 0.000 0.267 74 E C -1.693 174.920 176.600 0.022 0.000 0.877 74 E CA -0.755 55.675 56.400 0.051 0.000 0.759 74 E CB 1.661 31.383 29.700 0.036 0.000 1.182 74 E HN 0.327 nan 8.360 nan 0.000 0.418 75 W N 3.099 124.397 121.300 -0.003 0.000 2.311 75 W HA 0.287 4.948 4.660 0.001 0.000 0.310 75 W C 0.093 176.636 176.519 0.040 0.000 1.274 75 W CA -0.403 56.960 57.345 0.030 0.000 1.215 75 W CB 0.663 30.151 29.460 0.048 0.000 1.227 75 W HN 0.000 nan 8.180 nan 0.000 0.523 76 K N 3.847 124.372 120.400 0.208 0.000 2.378 76 K HA 0.457 4.778 4.320 0.001 0.000 0.252 76 K C 0.020 176.719 176.600 0.165 0.000 0.931 76 K CA -1.213 55.164 56.287 0.150 0.000 0.794 76 K CB 2.277 34.820 32.500 0.071 0.000 1.181 76 K HN 0.458 nan 8.250 nan 0.000 0.425 77 R N 1.697 122.293 120.500 0.161 0.000 2.641 77 R HA 0.092 4.433 4.340 0.001 0.000 0.269 77 R C -1.602 174.685 176.300 -0.022 0.000 1.074 77 R CA -1.566 54.632 56.100 0.163 0.000 1.133 77 R CB 0.009 30.453 30.300 0.240 0.000 1.029 77 R HN 0.205 nan 8.270 nan 0.000 0.488 78 P HA -0.149 nan 4.420 nan 0.000 0.221 78 P C 0.908 177.869 177.300 -0.565 0.000 1.145 78 P CA 1.347 63.938 63.100 -0.849 0.000 0.795 78 P CB 0.123 30.721 31.700 -1.836 0.000 0.775 79 T N -4.028 110.344 114.554 -0.303 0.000 3.085 79 T HA 0.031 4.381 4.350 0.001 0.000 0.263 79 T C 1.470 176.135 174.700 -0.058 0.000 1.127 79 T CA 0.707 62.704 62.100 -0.173 0.000 1.103 79 T CB -0.487 68.357 68.868 -0.040 0.000 0.921 79 T HN 0.185 nan 8.240 nan 0.000 0.510 80 E N 0.723 120.906 120.200 -0.028 0.000 2.400 80 E HA 0.233 4.584 4.350 0.001 0.000 0.195 80 E C 1.825 178.423 176.600 -0.005 0.000 1.012 80 E CA 0.289 56.693 56.400 0.007 0.000 0.875 80 E CB 0.060 29.786 29.700 0.044 0.000 0.859 80 E HN 0.762 nan 8.360 nan 0.000 0.498 81 I N -2.336 118.220 120.570 -0.024 0.000 4.035 81 I HA 0.274 4.445 4.170 0.001 0.000 0.321 81 I C 0.699 176.825 176.117 0.015 0.000 1.289 81 I CA -0.450 60.854 61.300 0.007 0.000 1.236 81 I CB 0.281 38.308 38.000 0.045 0.000 1.076 81 I HN 0.018 nan 8.210 nan 0.000 0.418 82 C N -0.605 118.684 119.300 -0.019 0.000 3.241 82 C HA 0.844 5.305 4.460 0.001 0.000 0.312 82 C C 1.201 176.157 174.990 -0.057 0.000 1.350 82 C CA -0.161 58.849 59.018 -0.014 0.000 1.415 82 C CB 1.443 29.203 27.740 0.033 0.000 1.770 82 C HN 0.241 nan 8.230 nan 0.000 0.466 83 A N -0.609 122.191 122.820 -0.033 0.000 2.132 83 A HA 0.231 4.552 4.320 0.001 0.000 0.213 83 A C 0.812 178.369 177.584 -0.044 0.000 1.154 83 A CA 1.381 53.398 52.037 -0.034 0.000 0.753 83 A CB -0.259 18.735 19.000 -0.010 0.000 0.826 83 A HN 0.912 nan 8.150 nan 0.000 0.469 84 D N 0.350 120.724 120.400 -0.043 0.000 2.772 84 D HA 0.215 4.856 4.640 0.001 0.000 0.326 84 D C -2.938 173.337 176.300 -0.042 0.000 1.207 84 D CA -1.250 52.732 54.000 -0.030 0.000 0.777 84 D CB 1.018 41.825 40.800 0.012 0.000 1.169 84 D HN 0.173 nan 8.370 nan 0.000 0.506 85 P HA 0.116 nan 4.420 nan 0.000 0.271 85 P C -0.391 176.892 177.300 -0.028 0.000 1.218 85 P CA -0.252 62.686 63.100 -0.270 0.000 0.780 85 P CB 1.310 32.303 31.700 -1.178 0.000 0.901 86 Q N 1.603 121.566 119.800 0.272 0.000 2.309 86 Q HA 0.226 4.566 4.340 0.001 0.000 0.264 86 Q C 0.391 176.846 176.000 0.759 0.000 1.008 86 Q CA -0.710 55.378 55.803 0.475 0.000 0.853 86 Q CB 1.675 30.591 28.738 0.298 0.000 1.314 86 Q HN 0.405 nan 8.270 nan 0.000 0.448 87 F N 2.665 123.003 119.950 0.647 0.000 2.039 87 F HA -0.062 4.466 4.527 0.001 0.000 0.294 87 F C 0.894 176.966 175.800 0.454 0.000 1.130 87 F CA 1.054 59.356 58.000 0.503 0.000 1.189 87 F CB 0.342 39.513 39.000 0.285 0.000 0.983 87 F HN 0.610 nan 8.300 nan 0.000 0.471 88 I N -0.437 120.326 120.570 0.322 0.000 2.545 88 I HA 0.497 4.668 4.170 0.001 0.000 0.292 88 I C -1.225 174.994 176.117 0.169 0.000 1.040 88 I CA -0.821 60.576 61.300 0.161 0.000 1.068 88 I CB 2.216 40.162 38.000 -0.090 0.000 1.251 88 I HN 0.109 nan 8.210 nan 0.000 0.424 89 I N 5.741 126.395 120.570 0.140 0.000 2.619 89 I HA 0.667 4.838 4.170 0.001 0.000 0.292 89 I C 0.892 177.050 176.117 0.068 0.000 1.100 89 I CA -0.161 61.199 61.300 0.100 0.000 1.043 89 I CB 1.956 40.017 38.000 0.101 0.000 1.239 89 I HN 1.076 nan 8.210 nan 0.000 0.420 90 G N 4.363 113.189 108.800 0.045 0.000 2.179 90 G HA2 0.015 3.976 3.960 0.001 0.000 0.257 90 G HA3 0.015 3.976 3.960 0.001 0.000 0.257 90 G C 0.701 175.606 174.900 0.010 0.000 1.010 90 G CA 0.404 45.520 45.100 0.027 0.000 0.736 90 G HN 2.035 nan 8.290 nan 0.000 0.513 91 G N -1.722 107.073 108.800 -0.008 0.000 2.746 91 G HA2 0.430 4.391 3.960 0.001 0.000 0.685 91 G HA3 0.430 4.391 3.960 0.001 0.000 0.685 91 G C 0.143 174.988 174.900 -0.091 0.000 1.350 91 G CA 0.682 45.746 45.100 -0.059 0.000 0.837 91 G HN 2.168 nan 8.290 nan 0.000 0.564 92 A N 1.047 123.721 122.820 -0.243 0.000 2.650 92 A HA 0.793 5.114 4.320 0.001 0.000 0.320 92 A C 0.908 178.417 177.584 -0.125 0.000 1.466 92 A CA 1.115 52.898 52.037 -0.423 0.000 1.099 92 A CB -0.411 17.956 19.000 -1.055 0.000 1.136 92 A HN 2.255 nan 8.150 nan 0.000 0.532 93 T N -1.303 113.311 114.554 0.100 0.000 2.910 93 T HA 0.472 4.822 4.350 0.001 0.000 0.287 93 T C 1.194 175.975 174.700 0.134 0.000 1.050 93 T CA -0.583 61.562 62.100 0.074 0.000 1.011 93 T CB 1.112 69.996 68.868 0.027 0.000 1.195 93 T HN 0.627 nan 8.240 nan 0.000 0.540 94 R N -0.039 120.494 120.500 0.054 0.000 2.148 94 R HA -0.057 4.284 4.340 0.001 0.000 0.227 94 R C 1.907 178.206 176.300 -0.003 0.000 1.103 94 R CA 1.762 57.878 56.100 0.027 0.000 0.983 94 R CB -1.580 28.709 30.300 -0.020 0.000 0.874 94 R HN 0.789 nan 8.270 nan 0.000 0.451 95 T N -1.244 113.310 114.554 0.000 0.000 3.051 95 T HA -0.043 4.308 4.350 0.001 0.000 0.269 95 T C 0.794 175.468 174.700 -0.043 0.000 1.127 95 T CA 0.969 63.057 62.100 -0.020 0.000 1.107 95 T CB -0.112 68.752 68.868 -0.007 0.000 0.898 95 T HN 0.159 nan 8.240 nan 0.000 0.517 96 D N 1.190 121.582 120.400 -0.013 0.000 2.363 96 D HA 0.109 4.749 4.640 0.001 0.000 0.226 96 D C 0.202 176.328 176.300 -0.291 0.000 1.020 96 D CA 0.263 54.208 54.000 -0.092 0.000 0.892 96 D CB 0.062 40.939 40.800 0.128 0.000 0.900 96 D HN 0.455 nan 8.370 nan 0.000 0.531 97 I N 1.588 122.021 120.570 -0.227 0.000 2.460 97 I HA 0.191 4.362 4.170 0.001 0.000 0.277 97 I C -0.500 175.461 176.117 -0.261 0.000 1.057 97 I CA -0.588 60.538 61.300 -0.289 0.000 1.179 97 I CB 0.450 38.322 38.000 -0.213 0.000 1.329 97 I HN -0.184 nan 8.210 nan 0.000 0.478 98 C N 4.798 123.855 119.300 -0.405 0.000 2.340 98 C HA 0.372 4.833 4.460 0.001 0.000 0.323 98 C C 0.703 175.402 174.990 -0.485 0.000 1.260 98 C CA -0.743 58.012 59.018 -0.439 0.000 1.464 98 C CB 1.418 28.805 27.740 -0.588 0.000 2.156 98 C HN 0.685 nan 8.230 nan 0.000 0.476 99 Q N 1.456 121.163 119.800 -0.154 0.000 2.361 99 Q HA 0.425 4.766 4.340 0.001 0.000 0.276 99 Q C 0.666 176.674 176.000 0.015 0.000 1.022 99 Q CA 0.534 56.315 55.803 -0.037 0.000 0.898 99 Q CB 0.788 29.610 28.738 0.138 0.000 1.246 99 Q HN 0.967 nan 8.270 nan 0.000 0.410 100 G N 1.018 109.876 108.800 0.095 0.000 3.019 100 G HA2 0.491 4.452 3.960 0.001 0.000 0.152 100 G HA3 0.491 4.452 3.960 0.001 0.000 0.152 100 G C -0.818 174.134 174.900 0.086 0.000 1.320 100 G CA -0.042 45.138 45.100 0.132 0.000 1.013 100 G HN 0.705 nan 8.290 nan 0.000 0.593 101 A N -0.448 122.457 122.820 0.141 0.000 3.105 101 A HA 0.613 4.934 4.320 0.001 0.000 0.272 101 A C -0.448 177.304 177.584 0.281 0.000 1.466 101 A CA 0.037 52.143 52.037 0.114 0.000 1.101 101 A CB -0.788 18.195 19.000 -0.029 0.000 1.065 101 A HN 0.590 nan 8.150 nan 0.000 0.643 102 L N -1.308 120.040 121.223 0.209 0.000 2.472 102 L HA 0.671 5.012 4.340 0.001 0.000 0.260 102 L C 0.433 177.368 176.870 0.108 0.000 0.963 102 L CA -0.032 54.879 54.840 0.118 0.000 0.829 102 L CB 1.899 43.926 42.059 -0.055 0.000 1.348 102 L HN 0.150 nan 8.230 nan 0.000 0.408 103 G N 1.324 110.198 108.800 0.124 0.000 3.574 103 G HA2 0.193 4.153 3.960 0.001 0.000 0.262 103 G HA3 0.193 4.153 3.960 0.001 0.000 0.262 103 G C -0.104 174.920 174.900 0.206 0.000 1.231 103 G CA 0.296 45.505 45.100 0.182 0.000 1.608 103 G HN 0.719 nan 8.290 nan 0.000 0.628 104 D N -0.366 120.078 120.400 0.073 0.000 2.587 104 D HA -0.019 4.622 4.640 0.001 0.000 0.233 104 D C 1.860 177.938 176.300 -0.370 0.000 1.213 104 D CA 0.204 54.100 54.000 -0.173 0.000 0.827 104 D CB -0.061 40.556 40.800 -0.306 0.000 1.006 104 D HN 0.243 nan 8.370 nan 0.000 0.490 105 S N 0.332 115.991 115.700 -0.069 0.000 2.387 105 S HA -0.214 4.257 4.470 0.001 0.000 0.230 105 S C 1.983 176.440 174.600 -0.238 0.000 1.035 105 S CA 0.819 58.938 58.200 -0.136 0.000 1.014 105 S CB -1.280 61.829 63.200 -0.153 0.000 0.836 105 S HN 0.632 nan 8.310 nan 0.000 0.466 106 W N 1.634 122.833 121.300 -0.168 0.000 2.321 106 W HA -0.110 4.550 4.660 0.000 0.000 0.306 106 W C 1.792 178.152 176.519 -0.264 0.000 1.217 106 W CA 0.771 57.982 57.345 -0.224 0.000 1.257 106 W CB -1.227 28.130 29.460 -0.173 0.000 1.145 106 W HN 0.380 nan 8.180 nan 0.000 0.509 107 L N 1.035 121.495 121.223 -1.271 0.000 2.072 107 L HA -0.062 4.279 4.340 0.001 0.000 0.205 107 L C 2.473 179.028 176.870 -0.525 0.000 1.079 107 L CA 1.597 55.714 54.840 -1.206 0.000 0.752 107 L CB -1.151 39.912 42.059 -1.659 0.000 0.906 107 L HN -0.159 nan 8.230 nan 0.000 0.436 108 L N -0.016 120.943 121.223 -0.441 0.000 2.056 108 L HA -0.035 4.305 4.340 0.001 0.000 0.207 108 L C 2.727 179.498 176.870 -0.164 0.000 1.078 108 L CA 1.860 56.548 54.840 -0.254 0.000 0.749 108 L CB -1.880 40.047 42.059 -0.221 0.000 0.901 108 L HN 0.337 nan 8.230 nan 0.000 0.433 109 A N -0.567 122.141 122.820 -0.187 0.000 1.940 109 A HA -0.158 4.162 4.320 0.001 0.000 0.219 109 A C 2.516 180.101 177.584 0.002 0.000 1.176 109 A CA 1.776 53.741 52.037 -0.120 0.000 0.631 109 A CB -0.797 18.101 19.000 -0.171 0.000 0.814 109 A HN 0.386 nan 8.150 nan 0.000 0.446 110 A N 0.163 122.953 122.820 -0.050 0.000 1.877 110 A HA -0.114 4.207 4.320 0.001 0.000 0.216 110 A C 2.124 179.952 177.584 0.406 0.000 1.186 110 A CA 1.595 53.758 52.037 0.210 0.000 0.620 110 A CB -0.636 18.382 19.000 0.030 0.000 0.822 110 A HN 0.520 nan 8.150 nan 0.000 0.443 111 I N -0.254 120.461 120.570 0.242 0.000 2.179 111 I HA -0.278 3.893 4.170 0.001 0.000 0.242 111 I C 3.003 179.163 176.117 0.072 0.000 1.088 111 I CA 1.102 62.431 61.300 0.049 0.000 1.357 111 I CB -0.542 37.417 38.000 -0.069 0.000 1.051 111 I HN 0.354 nan 8.210 nan 0.000 0.409 112 A N 0.317 123.166 122.820 0.047 0.000 1.908 112 A HA -0.226 4.095 4.320 0.001 0.000 0.218 112 A C 2.503 180.116 177.584 0.048 0.000 1.181 112 A CA 2.419 54.475 52.037 0.033 0.000 0.627 112 A CB -0.798 18.190 19.000 -0.020 0.000 0.818 112 A HN 0.402 nan 8.150 nan 0.000 0.445 113 S N -0.758 115.006 115.700 0.107 0.000 2.383 113 S HA -0.111 4.360 4.470 0.001 0.000 0.227 113 S C 1.837 176.462 174.600 0.041 0.000 1.026 113 S CA 1.284 59.535 58.200 0.085 0.000 0.981 113 S CB -0.400 62.926 63.200 0.210 0.000 0.818 113 S HN 0.506 nan 8.310 nan 0.000 0.472 114 L N 2.396 123.676 121.223 0.095 0.000 2.079 114 L HA -0.130 4.211 4.340 0.001 0.000 0.210 114 L C 2.505 179.365 176.870 -0.017 0.000 1.081 114 L CA 2.272 57.139 54.840 0.044 0.000 0.752 114 L CB -1.436 40.640 42.059 0.027 0.000 0.896 114 L HN 0.489 nan 8.230 nan 0.000 0.433 115 T N -3.169 111.380 114.554 -0.008 0.000 2.897 115 T HA -0.199 4.151 4.350 0.001 0.000 0.271 115 T C 1.859 176.526 174.700 -0.055 0.000 1.084 115 T CA 1.565 63.641 62.100 -0.041 0.000 1.123 115 T CB -0.738 68.138 68.868 0.013 0.000 0.865 115 T HN 0.433 nan 8.240 nan 0.000 0.496 116 L N 0.529 121.723 121.223 -0.048 0.000 2.395 116 L HA 0.212 4.553 4.340 0.001 0.000 0.218 116 L C 1.369 178.201 176.870 -0.063 0.000 1.130 116 L CA 0.326 55.130 54.840 -0.060 0.000 0.826 116 L CB -0.241 41.775 42.059 -0.071 0.000 0.941 116 L HN 0.256 nan 8.230 nan 0.000 0.451 117 N N 0.479 119.143 118.700 -0.060 0.000 2.816 117 N HA 0.062 4.803 4.740 0.001 0.000 0.236 117 N C 0.595 176.067 175.510 -0.062 0.000 1.076 117 N CA -0.011 53.004 53.050 -0.058 0.000 0.902 117 N CB 0.964 39.420 38.487 -0.052 0.000 1.149 117 N HN 0.113 nan 8.380 nan 0.000 0.506 118 E N 1.200 121.358 120.200 -0.070 0.000 2.130 118 E HA -0.210 4.141 4.350 0.001 0.000 0.196 118 E C 0.837 177.388 176.600 -0.082 0.000 0.998 118 E CA 1.542 57.891 56.400 -0.085 0.000 0.806 118 E CB 0.318 29.970 29.700 -0.079 0.000 0.738 118 E HN 0.647 nan 8.360 nan 0.000 0.459 119 E N -0.064 120.096 120.200 -0.067 0.000 2.106 119 E HA -0.158 4.193 4.350 0.001 0.000 0.192 119 E C 1.886 178.448 176.600 -0.064 0.000 0.984 119 E CA 0.780 57.142 56.400 -0.065 0.000 0.806 119 E CB 0.110 29.777 29.700 -0.055 0.000 0.750 119 E HN 0.247 nan 8.360 nan 0.000 0.458 120 I N 0.523 121.066 120.570 -0.044 0.000 2.584 120 I HA -0.114 4.056 4.170 0.001 0.000 0.255 120 I C 2.377 178.485 176.117 -0.015 0.000 1.145 120 I CA 0.495 61.787 61.300 -0.014 0.000 1.462 120 I CB -0.836 37.184 38.000 0.033 0.000 1.102 120 I HN 0.168 nan 8.210 nan 0.000 0.433 121 L N 2.176 123.368 121.223 -0.051 0.000 2.079 121 L HA -0.129 4.212 4.340 0.001 0.000 0.210 121 L C 2.477 179.280 176.870 -0.112 0.000 1.081 121 L CA 2.104 56.886 54.840 -0.097 0.000 0.752 121 L CB -0.626 41.343 42.059 -0.151 0.000 0.896 121 L HN 0.172 nan 8.230 nan 0.000 0.433 122 A N -0.743 122.010 122.820 -0.112 0.000 2.172 122 A HA -0.174 4.147 4.320 0.001 0.000 0.216 122 A C 2.455 179.967 177.584 -0.120 0.000 1.154 122 A CA 1.449 53.416 52.037 -0.117 0.000 0.701 122 A CB -0.658 18.277 19.000 -0.108 0.000 0.789 122 A HN 0.590 nan 8.150 nan 0.000 0.465 123 R N -0.777 119.652 120.500 -0.118 0.000 2.090 123 R HA 0.030 4.370 4.340 0.001 0.000 0.219 123 R C 1.654 177.894 176.300 -0.101 0.000 1.100 123 R CA 1.283 57.279 56.100 -0.172 0.000 0.991 123 R CB -0.178 29.943 30.300 -0.299 0.000 0.893 123 R HN 0.226 nan 8.270 nan 0.000 0.443 124 V N 0.658 120.581 119.914 0.016 0.000 2.358 124 V HA -0.069 4.051 4.120 0.001 0.000 0.246 124 V C 0.769 176.908 176.094 0.074 0.000 1.047 124 V CA 1.103 63.461 62.300 0.096 0.000 1.035 124 V CB 0.194 32.089 31.823 0.120 0.000 0.658 124 V HN 0.061 nan 8.190 nan 0.000 0.452 125 V N 2.067 122.008 119.914 0.044 0.000 2.284 125 V HA 0.325 4.446 4.120 0.001 0.000 0.274 125 V C -2.605 173.455 176.094 -0.057 0.000 1.023 125 V CA -1.843 60.532 62.300 0.125 0.000 0.808 125 V CB 0.862 32.762 31.823 0.129 0.000 1.035 125 V HN 0.315 nan 8.190 nan 0.000 0.445 126 P HA 0.109 nan 4.420 nan 0.000 0.260 126 P C 0.934 178.178 177.300 -0.094 0.000 1.207 126 P CA 0.348 63.291 63.100 -0.261 0.000 0.780 126 P CB 0.489 31.861 31.700 -0.547 0.000 0.789 127 L N 2.400 123.596 121.223 -0.046 0.000 2.465 127 L HA -0.081 4.259 4.340 0.001 0.000 0.224 127 L C 1.383 178.286 176.870 0.054 0.000 1.145 127 L CA 0.976 55.836 54.840 0.033 0.000 0.834 127 L CB -0.484 41.551 42.059 -0.039 0.000 0.944 127 L HN 0.367 nan 8.230 nan 0.000 0.451 128 D N -1.435 118.948 120.400 -0.028 0.000 2.328 128 D HA -0.043 4.597 4.640 0.001 0.000 0.221 128 D C 0.545 176.798 176.300 -0.078 0.000 1.072 128 D CA -0.084 53.898 54.000 -0.030 0.000 0.850 128 D CB -0.081 40.697 40.800 -0.036 0.000 0.922 128 D HN 0.305 nan 8.370 nan 0.000 0.516 129 Q N 0.189 119.852 119.800 -0.229 0.000 2.354 129 Q HA 0.444 4.785 4.340 0.001 0.000 0.244 129 Q C -0.333 175.527 176.000 -0.234 0.000 0.969 129 Q CA -0.198 55.360 55.803 -0.407 0.000 0.885 129 Q CB 1.399 29.609 28.738 -0.879 0.000 1.241 129 Q HN 0.097 nan 8.270 nan 0.000 0.461 130 S N 0.266 115.902 115.700 -0.107 0.000 2.537 130 S HA 0.384 4.854 4.470 0.001 0.000 0.271 130 S C -0.759 173.865 174.600 0.041 0.000 1.148 130 S CA -0.671 57.571 58.200 0.070 0.000 0.868 130 S CB 0.553 63.811 63.200 0.097 0.000 1.115 130 S HN 0.574 nan 8.310 nan 0.000 0.461 131 F N 1.750 121.840 119.950 0.234 0.000 2.710 131 F HA 0.179 4.707 4.527 0.001 0.000 0.298 131 F C 2.189 177.962 175.800 -0.046 0.000 1.137 131 F CA 0.251 58.232 58.000 -0.032 0.000 1.444 131 F CB 0.282 39.194 39.000 -0.146 0.000 1.111 131 F HN 0.494 nan 8.300 nan 0.000 0.580 132 Q N -0.531 119.390 119.800 0.202 0.000 2.373 132 Q HA 0.122 4.462 4.340 0.001 0.000 0.210 132 Q C 0.077 176.150 176.000 0.122 0.000 0.913 132 Q CA 0.552 56.442 55.803 0.145 0.000 0.911 132 Q CB 0.505 29.321 28.738 0.129 0.000 1.040 132 Q HN 0.168 nan 8.270 nan 0.000 0.521 133 E N 0.585 120.850 120.200 0.109 0.000 2.199 133 E HA 0.257 4.608 4.350 0.001 0.000 0.265 133 E C -0.890 175.739 176.600 0.049 0.000 0.882 133 E CA -0.387 56.055 56.400 0.069 0.000 0.759 133 E CB 1.135 30.861 29.700 0.043 0.000 1.148 133 E HN 0.231 nan 8.360 nan 0.000 0.412 134 N N 1.728 120.445 118.700 0.028 0.000 2.721 134 N HA -0.294 4.447 4.740 0.001 0.000 0.249 134 N C -0.832 174.651 175.510 -0.045 0.000 1.072 134 N CA 0.332 53.363 53.050 -0.032 0.000 0.710 134 N CB -1.031 37.409 38.487 -0.077 0.000 0.993 134 N HN 0.438 nan 8.380 nan 0.000 0.547 135 Y N 0.647 120.900 120.300 -0.079 0.000 2.465 135 Y HA 0.375 4.926 4.550 0.001 0.000 0.331 135 Y C 0.623 176.478 175.900 -0.075 0.000 1.102 135 Y CA 0.159 58.207 58.100 -0.086 0.000 1.358 135 Y CB 0.726 39.213 38.460 0.045 0.000 1.213 135 Y HN 0.180 nan 8.280 nan 0.000 0.525 136 A N 4.247 126.564 122.820 -0.838 0.000 2.524 136 A HA 0.451 4.772 4.320 0.001 0.000 0.267 136 A C 1.080 178.297 177.584 -0.612 0.000 0.881 136 A CA 0.049 51.702 52.037 -0.641 0.000 1.077 136 A CB -0.809 17.965 19.000 -0.376 0.000 1.220 136 A HN 1.697 nan 8.150 nan 0.000 0.488 137 G N 0.009 108.201 108.800 -1.013 0.000 2.203 137 G HA2 -0.241 3.720 3.960 0.001 0.000 0.263 137 G HA3 -0.241 3.720 3.960 0.001 0.000 0.263 137 G C 0.110 175.074 174.900 0.105 0.000 1.012 137 G CA 0.846 45.821 45.100 -0.209 0.000 0.749 137 G HN 1.251 nan 8.290 nan 0.000 0.512 138 I N -0.746 119.713 120.570 -0.184 0.000 2.545 138 I HA 0.812 4.983 4.170 0.001 0.000 0.292 138 I C -0.685 175.234 176.117 -0.331 0.000 1.040 138 I CA -1.526 59.746 61.300 -0.046 0.000 1.068 138 I CB 1.072 38.875 38.000 -0.329 0.000 1.251 138 I HN -0.072 nan 8.210 nan 0.000 0.424 139 F N 4.939 125.053 119.950 0.273 0.000 2.620 139 F HA 0.590 5.117 4.527 0.001 0.000 0.320 139 F C -0.355 175.514 175.800 0.116 0.000 1.069 139 F CA -0.481 57.608 58.000 0.149 0.000 0.953 139 F CB 1.796 40.900 39.000 0.173 0.000 1.322 139 F HN 0.530 nan 8.300 nan 0.000 0.479 140 H N -1.279 117.574 119.070 -0.362 0.000 2.961 140 H HA 0.824 5.381 4.556 0.002 0.000 0.371 140 H C -2.062 172.767 175.328 -0.833 0.000 1.190 140 H CA -1.070 54.738 56.048 -0.401 0.000 1.138 140 H CB 2.263 31.767 29.762 -0.430 0.000 1.816 140 H HN 0.421 nan 8.280 nan 0.000 0.551 141 F N -0.314 119.559 119.950 -0.128 0.000 2.685 141 F HA 0.404 4.932 4.527 0.001 0.000 0.315 141 F C -0.763 174.793 175.800 -0.406 0.000 1.126 141 F CA -0.849 56.966 58.000 -0.310 0.000 0.950 141 F CB 2.759 41.601 39.000 -0.263 0.000 1.360 141 F HN 0.551 nan 8.300 nan 0.000 0.469 142 Q N 1.294 120.925 119.800 -0.281 0.000 2.321 142 Q HA 0.555 4.896 4.340 0.001 0.000 0.270 142 Q C -1.920 174.052 176.000 -0.048 0.000 1.032 142 Q CA -0.658 55.088 55.803 -0.096 0.000 0.784 142 Q CB 2.824 31.621 28.738 0.098 0.000 1.264 142 Q HN 0.434 nan 8.270 nan 0.000 0.448 143 F N 0.601 120.846 119.950 0.490 0.000 2.551 143 F HA 0.346 4.873 4.527 0.001 0.000 0.316 143 F C -0.407 175.438 175.800 0.075 0.000 1.089 143 F CA -1.097 57.129 58.000 0.376 0.000 0.915 143 F CB 0.962 40.117 39.000 0.259 0.000 1.186 143 F HN 0.524 nan 8.300 nan 0.000 0.456 144 W N 4.876 125.941 121.300 -0.392 0.000 2.356 144 W HA 0.369 5.032 4.660 0.005 0.000 0.311 144 W C -0.725 175.530 176.519 -0.439 0.000 1.328 144 W CA -0.076 56.742 57.345 -0.878 0.000 1.251 144 W CB 0.577 29.333 29.460 -1.174 0.000 1.280 144 W HN 0.289 nan 8.180 nan 0.000 0.524 145 Q N 7.188 126.473 119.800 -0.857 0.000 2.464 145 Q HA 0.089 4.430 4.340 0.001 0.000 0.256 145 Q C -0.996 174.340 176.000 -1.106 0.000 1.020 145 Q CA -1.009 54.241 55.803 -0.920 0.000 0.716 145 Q CB 0.629 29.134 28.738 -0.388 0.000 1.230 145 Q HN 0.749 nan 8.270 nan 0.000 0.494 146 Y N 0.599 120.161 120.300 -1.230 0.000 3.168 146 Y HA -0.306 4.244 4.550 0.001 0.000 0.207 146 Y C 1.238 176.630 175.900 -0.847 0.000 1.280 146 Y CA 0.831 58.388 58.100 -0.904 0.000 1.235 146 Y CB -2.001 36.185 38.460 -0.455 0.000 1.370 146 Y HN 0.924 nan 8.280 nan 0.000 0.537 147 G N -1.164 106.844 108.800 -1.321 0.000 2.213 147 G HA2 -0.218 3.743 3.960 0.001 0.000 0.226 147 G HA3 -0.218 3.743 3.960 0.001 0.000 0.226 147 G C -0.157 174.513 174.900 -0.384 0.000 0.992 147 G CA 0.040 44.887 45.100 -0.422 0.000 0.632 147 G HN 0.510 nan 8.290 nan 0.000 0.511 148 E N -0.854 118.965 120.200 -0.635 0.000 2.238 148 E HA 0.564 4.915 4.350 0.001 0.000 0.267 148 E C -0.848 175.536 176.600 -0.359 0.000 0.887 148 E CA -1.050 55.181 56.400 -0.281 0.000 0.769 148 E CB 1.315 30.944 29.700 -0.119 0.000 1.187 148 E HN 0.278 nan 8.360 nan 0.000 0.416 149 W N 1.742 123.046 121.300 0.008 0.000 2.272 149 W HA 0.418 5.078 4.660 -0.000 0.000 0.318 149 W C -0.540 176.021 176.519 0.070 0.000 1.255 149 W CA -0.297 57.103 57.345 0.092 0.000 1.200 149 W CB 0.950 30.496 29.460 0.145 0.000 1.170 149 W HN 0.178 nan 8.180 nan 0.000 0.549 150 V N 3.168 123.274 119.914 0.320 0.000 2.525 150 V HA 0.164 4.285 4.120 0.001 0.000 0.299 150 V C -0.355 175.882 176.094 0.239 0.000 1.034 150 V CA -1.325 61.114 62.300 0.232 0.000 0.863 150 V CB 1.543 33.453 31.823 0.145 0.000 0.999 150 V HN 0.489 nan 8.190 nan 0.000 0.423 151 E N 3.739 124.069 120.200 0.216 0.000 2.229 151 E HA 0.561 4.911 4.350 0.001 0.000 0.283 151 E C -1.447 175.304 176.600 0.252 0.000 1.030 151 E CA -0.354 56.159 56.400 0.188 0.000 0.836 151 E CB 1.655 31.462 29.700 0.178 0.000 1.068 151 E HN 0.487 nan 8.360 nan 0.000 0.401 152 V N 5.721 125.786 119.914 0.251 0.000 2.409 152 V HA 0.252 4.372 4.120 0.001 0.000 0.291 152 V C 0.053 176.373 176.094 0.376 0.000 1.020 152 V CA -0.880 61.636 62.300 0.359 0.000 0.848 152 V CB 1.302 33.361 31.823 0.394 0.000 0.990 152 V HN 0.584 nan 8.190 nan 0.000 0.430 153 V N 4.590 124.733 119.914 0.381 0.000 2.617 153 V HA 0.948 5.069 4.120 0.001 0.000 0.298 153 V C -0.222 176.163 176.094 0.486 0.000 1.048 153 V CA -0.459 62.076 62.300 0.391 0.000 0.964 153 V CB 1.692 33.671 31.823 0.261 0.000 1.004 153 V HN 0.906 nan 8.190 nan 0.000 0.466 154 V N 1.348 121.600 119.914 0.564 0.000 3.007 154 V HA 0.736 4.857 4.120 0.001 0.000 0.311 154 V C -0.591 175.921 176.094 0.697 0.000 1.120 154 V CA -0.559 62.111 62.300 0.616 0.000 0.980 154 V CB 1.557 33.746 31.823 0.610 0.000 1.033 154 V HN 1.176 nan 8.190 nan 0.000 0.429 155 D N 0.967 121.745 120.400 0.630 0.000 2.329 155 D HA 0.255 4.896 4.640 0.001 0.000 0.246 155 D C 0.497 177.155 176.300 0.596 0.000 1.111 155 D CA 0.011 54.356 54.000 0.575 0.000 0.941 155 D CB 1.061 42.008 40.800 0.245 0.000 1.169 155 D HN 0.765 nan 8.370 nan 0.000 0.441 156 D N 0.110 120.884 120.400 0.624 0.000 2.336 156 D HA -0.068 4.572 4.640 0.001 0.000 0.229 156 D C -0.040 176.559 176.300 0.498 0.000 1.061 156 D CA -0.286 54.099 54.000 0.643 0.000 0.875 156 D CB -0.312 40.995 40.800 0.845 0.000 0.904 156 D HN 0.287 nan 8.370 nan 0.000 0.525 157 R N 0.465 121.248 120.500 0.472 0.000 2.404 157 R HA 0.346 4.687 4.340 0.001 0.000 0.315 157 R C -0.251 176.424 176.300 0.626 0.000 1.032 157 R CA 0.043 56.434 56.100 0.485 0.000 0.992 157 R CB 0.473 31.044 30.300 0.451 0.000 0.959 157 R HN 0.165 nan 8.270 nan 0.000 0.428 158 L N 5.670 127.135 121.223 0.403 0.000 2.342 158 L HA 0.483 4.823 4.340 0.001 0.000 0.271 158 L C -2.201 174.563 176.870 -0.176 0.000 1.008 158 L CA -2.738 52.230 54.840 0.213 0.000 0.818 158 L CB 2.035 44.232 42.059 0.231 0.000 1.296 158 L HN 0.325 nan 8.230 nan 0.000 0.427 159 P HA 0.121 nan 4.420 nan 0.000 0.268 159 P C -0.802 176.170 177.300 -0.546 0.000 1.204 159 P CA -0.163 62.380 63.100 -0.930 0.000 0.768 159 P CB 0.759 31.783 31.700 -1.126 0.000 0.842 160 T N 0.062 114.363 114.554 -0.423 0.000 2.906 160 T HA 0.711 5.062 4.350 0.001 0.000 0.295 160 T C -1.021 173.509 174.700 -0.283 0.000 1.075 160 T CA -0.974 60.947 62.100 -0.299 0.000 1.005 160 T CB 1.982 70.755 68.868 -0.157 0.000 1.136 160 T HN 0.259 nan 8.240 nan 0.000 0.498 161 K N 0.453 120.704 120.400 -0.250 0.000 2.535 161 K HA 0.448 4.769 4.320 0.001 0.000 0.251 161 K C -1.196 175.310 176.600 -0.158 0.000 0.942 161 K CA -0.482 55.686 56.287 -0.198 0.000 0.798 161 K CB 1.110 33.473 32.500 -0.229 0.000 1.267 161 K HN 0.757 nan 8.250 nan 0.000 0.434 162 D N 2.713 123.044 120.400 -0.116 0.000 2.837 162 D HA -0.188 4.452 4.640 0.001 0.000 0.230 162 D C 0.669 176.915 176.300 -0.090 0.000 1.152 162 D CA 2.065 56.009 54.000 -0.095 0.000 0.736 162 D CB -1.145 39.595 40.800 -0.100 0.000 1.084 162 D HN 1.022 nan 8.370 nan 0.000 0.429 163 G N -1.067 107.682 108.800 -0.085 0.000 2.205 163 G HA2 -0.357 3.604 3.960 0.001 0.000 0.261 163 G HA3 -0.357 3.604 3.960 0.001 0.000 0.261 163 G C 0.115 174.966 174.900 -0.081 0.000 0.980 163 G CA 0.498 45.557 45.100 -0.068 0.000 0.632 163 G HN 0.505 nan 8.290 nan 0.000 0.533 164 E N -0.237 119.888 120.200 -0.125 0.000 2.207 164 E HA 0.576 4.927 4.350 0.001 0.000 0.270 164 E C 0.580 177.059 176.600 -0.202 0.000 0.927 164 E CA -1.003 55.300 56.400 -0.160 0.000 0.799 164 E CB 1.416 30.994 29.700 -0.203 0.000 1.172 164 E HN 0.221 nan 8.360 nan 0.000 0.404 165 L N 3.443 124.552 121.223 -0.191 0.000 2.640 165 L HA -0.145 4.195 4.340 0.001 0.000 0.280 165 L C 1.253 177.928 176.870 -0.325 0.000 1.229 165 L CA 0.057 54.773 54.840 -0.205 0.000 0.919 165 L CB 0.119 42.111 42.059 -0.112 0.000 1.168 165 L HN 0.591 nan 8.230 nan 0.000 0.496 166 L N 4.566 125.508 121.223 -0.468 0.000 2.162 166 L HA 0.083 4.424 4.340 0.001 0.000 0.205 166 L C 0.754 177.248 176.870 -0.628 0.000 1.086 166 L CA 1.558 55.986 54.840 -0.687 0.000 0.778 166 L CB -0.049 41.356 42.059 -1.091 0.000 0.928 166 L HN 0.335 nan 8.230 nan 0.000 0.446 167 F N -2.056 117.792 119.950 -0.170 0.000 2.672 167 F HA 0.352 4.879 4.527 0.002 0.000 0.245 167 F C 0.675 176.498 175.800 0.038 0.000 1.151 167 F CA -0.811 57.131 58.000 -0.097 0.000 1.018 167 F CB -0.880 38.015 39.000 -0.175 0.000 2.068 167 F HN -0.501 nan 8.300 nan 0.000 0.583 168 V N 2.045 122.090 119.914 0.219 0.000 2.788 168 V HA 0.155 4.276 4.120 0.001 0.000 0.307 168 V C -0.345 175.750 176.094 0.002 0.000 1.069 168 V CA 0.267 62.566 62.300 -0.002 0.000 1.173 168 V CB -0.173 31.574 31.823 -0.127 0.000 0.925 168 V HN 0.745 nan 8.190 nan 0.000 0.492 169 H N 2.793 121.757 119.070 -0.175 0.000 3.017 169 H HA 0.479 5.036 4.556 0.002 0.000 0.346 169 H C -0.777 174.391 175.328 -0.268 0.000 1.286 169 H CA -0.602 55.302 56.048 -0.240 0.000 1.120 169 H CB 1.446 31.084 29.762 -0.206 0.000 1.860 169 H HN 0.570 nan 8.280 nan 0.000 0.542 170 S N -0.393 115.154 115.700 -0.255 0.000 2.585 170 S HA 0.486 4.956 4.470 0.001 0.000 0.277 170 S C 1.371 175.899 174.600 -0.120 0.000 1.241 170 S CA 0.053 58.103 58.200 -0.249 0.000 1.041 170 S CB 0.969 64.014 63.200 -0.258 0.000 0.987 170 S HN 0.814 nan 8.310 nan 0.000 0.512 171 A N 2.526 125.290 122.820 -0.093 0.000 2.032 171 A HA -0.026 4.295 4.320 0.001 0.000 0.221 171 A C 1.001 178.564 177.584 -0.035 0.000 1.165 171 A CA 1.545 53.562 52.037 -0.033 0.000 0.645 171 A CB -0.662 18.323 19.000 -0.024 0.000 0.807 171 A HN 0.832 nan 8.150 nan 0.000 0.453 172 E N 0.309 120.475 120.200 -0.058 0.000 1.996 172 E HA 0.437 4.788 4.350 0.001 0.000 0.280 172 E C 1.248 177.774 176.600 -0.124 0.000 1.092 172 E CA 0.208 56.571 56.400 -0.061 0.000 0.862 172 E CB 0.223 29.903 29.700 -0.033 0.000 1.066 172 E HN 0.173 nan 8.360 nan 0.000 0.396 173 G N 3.135 111.869 108.800 -0.111 0.000 2.503 173 G HA2 -0.337 3.624 3.960 0.001 0.000 0.221 173 G HA3 -0.337 3.624 3.960 0.001 0.000 0.221 173 G C 1.224 175.961 174.900 -0.271 0.000 1.131 173 G CA 1.107 46.108 45.100 -0.164 0.000 0.756 173 G HN 0.612 nan 8.290 nan 0.000 0.572 174 S N -0.741 114.859 115.700 -0.167 0.000 2.631 174 S HA 0.239 4.710 4.470 0.001 0.000 0.217 174 S C 0.477 175.008 174.600 -0.115 0.000 0.958 174 S CA -0.085 58.069 58.200 -0.076 0.000 0.920 174 S CB 0.303 63.532 63.200 0.048 0.000 0.776 174 S HN 0.543 nan 8.310 nan 0.000 0.517 175 E N 0.046 120.054 120.200 -0.320 0.000 2.191 175 E HA 0.445 4.796 4.350 0.001 0.000 0.278 175 E C -0.927 175.390 176.600 -0.472 0.000 0.972 175 E CA -0.682 55.621 56.400 -0.163 0.000 0.804 175 E CB 0.687 30.363 29.700 -0.040 0.000 1.110 175 E HN 0.370 nan 8.360 nan 0.000 0.394 176 F N 3.332 123.308 119.950 0.043 0.000 2.798 176 F HA 0.111 4.639 4.527 0.001 0.000 0.328 176 F C 1.340 177.085 175.800 -0.092 0.000 1.098 176 F CA -0.811 57.201 58.000 0.019 0.000 1.172 176 F CB 0.162 39.283 39.000 0.202 0.000 1.072 176 F HN 0.647 nan 8.300 nan 0.000 0.555 177 W N 1.211 122.359 121.300 -0.254 0.000 2.335 177 W HA -0.216 4.444 4.660 0.001 0.000 0.311 177 W C 1.904 178.308 176.519 -0.193 0.000 1.213 177 W CA 1.734 58.725 57.345 -0.591 0.000 1.274 177 W CB -1.508 27.320 29.460 -1.052 0.000 1.148 177 W HN 0.155 nan 8.180 nan 0.000 0.498 178 S N 1.740 116.660 115.700 -1.300 0.000 2.387 178 S HA 0.008 4.479 4.470 0.001 0.000 0.226 178 S C 2.267 176.562 174.600 -0.507 0.000 1.026 178 S CA 1.481 58.938 58.200 -1.238 0.000 0.972 178 S CB -1.039 61.253 63.200 -1.513 0.000 0.814 178 S HN 0.352 nan 8.310 nan 0.000 0.477 179 A N 2.164 124.802 122.820 -0.302 0.000 1.917 179 A HA 0.041 4.362 4.320 0.001 0.000 0.219 179 A C 2.327 179.975 177.584 0.108 0.000 1.182 179 A CA 1.667 53.694 52.037 -0.017 0.000 0.633 179 A CB -0.930 18.138 19.000 0.112 0.000 0.819 179 A HN 0.554 nan 8.150 nan 0.000 0.448 180 L N -1.370 119.934 121.223 0.134 0.000 2.156 180 L HA -0.088 4.252 4.340 0.001 0.000 0.208 180 L C 2.479 179.299 176.870 -0.083 0.000 1.095 180 L CA 0.651 55.654 54.840 0.272 0.000 0.770 180 L CB -0.392 41.988 42.059 0.535 0.000 0.914 180 L HN 0.430 nan 8.230 nan 0.000 0.439 181 L N 0.184 121.093 121.223 -0.523 0.000 2.017 181 L HA -0.219 4.122 4.340 0.001 0.000 0.208 181 L C 2.485 179.229 176.870 -0.211 0.000 1.073 181 L CA 1.829 56.167 54.840 -0.837 0.000 0.745 181 L CB -0.595 41.151 42.059 -0.521 0.000 0.894 181 L HN 0.265 nan 8.230 nan 0.000 0.432 182 E N -0.582 119.540 120.200 -0.131 0.000 2.110 182 E HA -0.298 4.053 4.350 0.001 0.000 0.193 182 E C 2.230 178.822 176.600 -0.013 0.000 0.988 182 E CA 1.297 57.669 56.400 -0.047 0.000 0.804 182 E CB -0.054 29.636 29.700 -0.017 0.000 0.745 182 E HN 0.499 nan 8.360 nan 0.000 0.458 183 K N 0.041 120.498 120.400 0.096 0.000 2.026 183 K HA -0.135 4.186 4.320 0.001 0.000 0.208 183 K C 2.062 178.666 176.600 0.006 0.000 1.048 183 K CA 1.127 57.483 56.287 0.115 0.000 0.929 183 K CB -0.163 32.600 32.500 0.438 0.000 0.713 183 K HN 0.128 nan 8.250 nan 0.000 0.439 184 A N 0.128 123.038 122.820 0.149 0.000 1.933 184 A HA -0.198 4.123 4.320 0.001 0.000 0.218 184 A C 2.026 179.693 177.584 0.138 0.000 1.175 184 A CA 1.320 53.516 52.037 0.264 0.000 0.628 184 A CB -0.785 18.551 19.000 0.560 0.000 0.814 184 A HN 0.556 nan 8.150 nan 0.000 0.444 185 Y N 0.200 120.432 120.300 -0.113 0.000 2.263 185 Y HA 0.031 4.582 4.550 0.001 0.000 0.292 185 Y C 2.651 178.339 175.900 -0.353 0.000 1.130 185 Y CA 0.900 58.737 58.100 -0.437 0.000 1.179 185 Y CB -0.265 37.874 38.460 -0.534 0.000 0.998 185 Y HN 0.324 nan 8.280 nan 0.000 0.532 186 A N 0.314 122.984 122.820 -0.249 0.000 1.902 186 A HA -0.237 4.084 4.320 0.001 0.000 0.217 186 A C 2.264 179.565 177.584 -0.472 0.000 1.181 186 A CA 1.925 53.738 52.037 -0.374 0.000 0.623 186 A CB -0.720 17.807 19.000 -0.788 0.000 0.818 186 A HN 0.488 nan 8.150 nan 0.000 0.443 187 K N 0.317 120.241 120.400 -0.792 0.000 2.009 187 K HA -0.176 4.145 4.320 0.001 0.000 0.210 187 K C 1.913 178.281 176.600 -0.387 0.000 1.049 187 K CA 2.004 57.645 56.287 -1.077 0.000 0.929 187 K CB -0.497 31.511 32.500 -0.821 0.000 0.714 187 K HN 0.677 nan 8.250 nan 0.000 0.440 188 I N -1.504 118.845 120.570 -0.368 0.000 2.614 188 I HA -0.149 4.022 4.170 0.001 0.000 0.258 188 I C 0.922 176.888 176.117 -0.252 0.000 1.189 188 I CA 1.262 62.314 61.300 -0.414 0.000 1.462 188 I CB -0.283 37.330 38.000 -0.645 0.000 1.092 188 I HN 0.080 nan 8.210 nan 0.000 0.442 189 N N 1.146 119.705 118.700 -0.236 0.000 2.280 189 N HA 0.135 4.876 4.740 0.001 0.000 0.192 189 N C 1.479 177.018 175.510 0.048 0.000 1.109 189 N CA 0.963 53.962 53.050 -0.085 0.000 0.855 189 N CB 1.216 39.657 38.487 -0.076 0.000 0.974 189 N HN 0.689 nan 8.380 nan 0.000 0.482 190 G N 0.750 109.604 108.800 0.089 0.000 2.358 190 G HA2 -0.301 3.660 3.960 0.001 0.000 0.224 190 G HA3 -0.301 3.660 3.960 0.001 0.000 0.224 190 G C 0.300 175.468 174.900 0.446 0.000 1.073 190 G CA 0.280 45.522 45.100 0.237 0.000 0.635 190 G HN 0.574 nan 8.290 nan 0.000 0.509 191 C N -3.638 115.897 119.300 0.391 0.000 3.259 191 C HA 0.746 5.207 4.460 0.001 0.000 0.344 191 C C 0.915 176.089 174.990 0.307 0.000 1.401 191 C CA -0.453 58.859 59.018 0.491 0.000 1.219 191 C CB 0.113 28.126 27.740 0.456 0.000 1.521 191 C HN 0.327 nan 8.230 nan 0.000 0.455 192 Y N 0.240 120.695 120.300 0.257 0.000 2.184 192 Y HA 0.008 4.559 4.550 0.001 0.000 0.290 192 Y C 2.638 178.511 175.900 -0.044 0.000 1.129 192 Y CA 2.185 60.280 58.100 -0.008 0.000 1.144 192 Y CB -0.087 38.182 38.460 -0.318 0.000 0.995 192 Y HN 0.867 nan 8.280 nan 0.000 0.513 193 E N 0.142 120.438 120.200 0.160 0.000 2.209 193 E HA -0.235 4.116 4.350 0.001 0.000 0.196 193 E C 2.064 178.778 176.600 0.190 0.000 0.993 193 E CA 0.793 57.215 56.400 0.035 0.000 0.819 193 E CB -0.148 29.382 29.700 -0.285 0.000 0.745 193 E HN 0.457 nan 8.360 nan 0.000 0.477 194 A N 0.265 123.297 122.820 0.353 0.000 2.168 194 A HA -0.032 4.288 4.320 0.001 0.000 0.215 194 A C 1.815 179.577 177.584 0.297 0.000 1.152 194 A CA 0.426 52.691 52.037 0.381 0.000 0.716 194 A CB -0.185 19.017 19.000 0.337 0.000 0.794 194 A HN 0.246 nan 8.150 nan 0.000 0.465 195 L N -0.446 120.942 121.223 0.275 0.000 2.591 195 L HA 0.095 4.436 4.340 0.001 0.000 0.228 195 L C 1.106 178.260 176.870 0.474 0.000 1.133 195 L CA -0.073 54.996 54.840 0.381 0.000 0.880 195 L CB -0.027 42.148 42.059 0.194 0.000 1.033 195 L HN 0.285 nan 8.230 nan 0.000 0.450 196 S N 0.851 116.742 115.700 0.319 0.000 2.481 196 S HA 0.493 4.964 4.470 0.001 0.000 0.276 196 S C 0.414 175.173 174.600 0.265 0.000 1.247 196 S CA 0.242 58.613 58.200 0.286 0.000 1.053 196 S CB 0.106 63.412 63.200 0.177 0.000 0.925 196 S HN 0.532 nan 8.310 nan 0.000 0.491 197 G N 2.837 111.810 108.800 0.288 0.000 3.172 197 G HA2 0.401 4.362 3.960 0.001 0.000 0.686 197 G HA3 0.401 4.362 3.960 0.001 0.000 0.686 197 G C -0.040 174.664 174.900 -0.328 0.000 1.009 197 G CA -0.415 44.725 45.100 0.068 0.000 0.787 197 G HN 1.559 nan 8.290 nan 0.000 0.559 198 G N -0.198 108.280 108.800 -0.537 0.000 2.316 198 G HA2 0.860 4.820 3.960 0.001 0.000 0.296 198 G HA3 0.860 4.820 3.960 0.001 0.000 0.296 198 G C -0.308 174.268 174.900 -0.540 0.000 1.399 198 G CA 0.649 45.164 45.100 -0.976 0.000 0.833 198 G HN 2.383 nan 8.290 nan 0.000 0.565 199 A N -0.364 122.204 122.820 -0.420 0.000 2.309 199 A HA 0.685 5.006 4.320 0.001 0.000 0.298 199 A C 1.350 178.896 177.584 -0.064 0.000 1.165 199 A CA 0.620 52.579 52.037 -0.131 0.000 0.821 199 A CB 0.744 19.784 19.000 0.066 0.000 1.102 199 A HN 1.056 nan 8.150 nan 0.000 0.500 200 T N 1.577 116.077 114.554 -0.090 0.000 2.881 200 T HA -0.121 4.230 4.350 0.001 0.000 0.270 200 T C 1.890 176.294 174.700 -0.493 0.000 1.068 200 T CA 2.259 64.182 62.100 -0.295 0.000 1.131 200 T CB -0.224 68.316 68.868 -0.547 0.000 0.871 200 T HN 0.758 nan 8.240 nan 0.000 0.479 201 T N 2.107 116.570 114.554 -0.150 0.000 2.778 201 T HA -0.140 4.210 4.350 0.001 0.000 0.269 201 T C 1.882 176.649 174.700 0.110 0.000 1.050 201 T CA 1.278 63.474 62.100 0.159 0.000 1.137 201 T CB -0.267 68.902 68.868 0.501 0.000 0.860 201 T HN 0.594 nan 8.240 nan 0.000 0.468 202 E N 0.270 120.503 120.200 0.055 0.000 2.077 202 E HA -0.062 4.289 4.350 0.001 0.000 0.193 202 E C 2.577 179.213 176.600 0.061 0.000 0.989 202 E CA 0.966 57.404 56.400 0.063 0.000 0.800 202 E CB -0.370 29.287 29.700 -0.072 0.000 0.746 202 E HN 0.540 nan 8.360 nan 0.000 0.452 203 G N 0.822 109.640 108.800 0.030 0.000 2.404 203 G HA2 -0.225 3.736 3.960 0.001 0.000 0.215 203 G HA3 -0.225 3.736 3.960 0.001 0.000 0.215 203 G C 1.199 175.865 174.900 -0.390 0.000 1.174 203 G CA 0.419 45.246 45.100 -0.455 0.000 0.780 203 G HN 0.078 nan 8.290 nan 0.000 0.537 204 F N 1.436 121.327 119.950 -0.099 0.000 2.043 204 F HA -0.092 4.437 4.527 0.003 0.000 0.297 204 F C 2.715 178.478 175.800 -0.061 0.000 1.118 204 F CA 1.369 59.368 58.000 -0.001 0.000 1.202 204 F CB -1.069 37.950 39.000 0.031 0.000 0.965 204 F HN 0.260 nan 8.300 nan 0.000 0.482 205 E N -0.369 119.886 120.200 0.092 0.000 2.085 205 E HA -0.222 4.128 4.350 0.001 0.000 0.194 205 E C 1.575 178.110 176.600 -0.110 0.000 0.994 205 E CA 1.508 57.827 56.400 -0.135 0.000 0.801 205 E CB -0.230 29.414 29.700 -0.093 0.000 0.743 205 E HN 0.338 nan 8.360 nan 0.000 0.453 206 D N -0.800 119.582 120.400 -0.031 0.000 2.363 206 D HA -0.060 4.580 4.640 0.001 0.000 0.220 206 D C 0.759 177.193 176.300 0.224 0.000 0.994 206 D CA 0.587 54.632 54.000 0.075 0.000 0.890 206 D CB 0.107 40.903 40.800 -0.007 0.000 0.906 206 D HN 0.144 nan 8.370 nan 0.000 0.530 207 F N -0.471 119.628 119.950 0.249 0.000 2.704 207 F HA 0.164 4.691 4.527 0.000 0.000 0.304 207 F C 1.969 177.969 175.800 0.333 0.000 1.094 207 F CA 0.292 58.490 58.000 0.330 0.000 1.275 207 F CB -0.053 39.112 39.000 0.275 0.000 1.073 207 F HN -0.048 nan 8.300 nan 0.000 0.586 208 T N -5.787 108.939 114.554 0.286 0.000 3.051 208 T HA 0.343 4.693 4.350 0.001 0.000 0.254 208 T C 1.712 176.358 174.700 -0.090 0.000 0.916 208 T CA 0.565 62.782 62.100 0.194 0.000 0.894 208 T CB 0.184 69.089 68.868 0.062 0.000 1.251 208 T HN 0.208 nan 8.240 nan 0.000 0.517 209 G N 1.610 109.947 108.800 -0.771 0.000 2.187 209 G HA2 -0.065 3.896 3.960 0.001 0.000 0.261 209 G HA3 -0.065 3.896 3.960 0.001 0.000 0.261 209 G C 0.642 175.039 174.900 -0.837 0.000 1.000 209 G CA 0.325 44.385 45.100 -1.734 0.000 0.718 209 G HN 1.067 nan 8.290 nan 0.000 0.519 210 G N -0.970 107.532 108.800 -0.496 0.000 2.570 210 G HA2 0.558 4.519 3.960 0.001 0.000 0.276 210 G HA3 0.558 4.519 3.960 0.001 0.000 0.276 210 G C -0.218 174.495 174.900 -0.312 0.000 1.346 210 G CA -0.407 44.511 45.100 -0.303 0.000 1.034 210 G HN 0.624 nan 8.290 nan 0.000 0.512 211 I N 0.357 120.762 120.570 -0.275 0.000 2.436 211 I HA 0.486 4.656 4.170 0.001 0.000 0.289 211 I C 0.609 176.619 176.117 -0.178 0.000 1.010 211 I CA -0.404 60.725 61.300 -0.285 0.000 1.098 211 I CB 1.811 39.510 38.000 -0.502 0.000 1.266 211 I HN 0.565 nan 8.210 nan 0.000 0.434 212 A N 5.120 127.873 122.820 -0.112 0.000 2.440 212 A HA 0.520 4.841 4.320 0.001 0.000 0.251 212 A C -0.098 177.455 177.584 -0.052 0.000 1.089 212 A CA -0.049 51.986 52.037 -0.003 0.000 0.779 212 A CB 0.292 19.295 19.000 0.005 0.000 1.022 212 A HN 0.751 nan 8.150 nan 0.000 0.492 213 E N 1.394 121.632 120.200 0.064 0.000 2.241 213 E HA 0.443 4.794 4.350 0.001 0.000 0.263 213 E C -1.941 174.714 176.600 0.093 0.000 0.882 213 E CA -0.420 55.953 56.400 -0.044 0.000 0.769 213 E CB 0.971 30.615 29.700 -0.093 0.000 1.185 213 E HN 0.658 nan 8.360 nan 0.000 0.415 214 W N 3.367 124.414 121.300 -0.422 0.000 2.666 214 W HA 0.428 5.087 4.660 -0.003 0.000 0.334 214 W C -1.094 175.103 176.519 -0.536 0.000 1.051 214 W CA -0.659 56.498 57.345 -0.313 0.000 1.224 214 W CB 1.034 30.402 29.460 -0.154 0.000 1.405 214 W HN 0.432 nan 8.180 nan 0.000 0.513 215 Y N 1.693 122.099 120.300 0.177 0.000 2.376 215 Y HA 0.321 4.867 4.550 -0.007 0.000 0.340 215 Y C 0.417 176.357 175.900 0.068 0.000 0.965 215 Y CA -1.220 56.947 58.100 0.111 0.000 1.078 215 Y CB 1.523 40.039 38.460 0.094 0.000 1.193 215 Y HN 0.143 nan 8.280 nan 0.000 0.452 216 E N 4.131 124.450 120.200 0.200 0.000 2.167 216 E HA 0.195 4.546 4.350 0.001 0.000 0.284 216 E C 0.390 177.039 176.600 0.081 0.000 1.016 216 E CA -0.092 56.372 56.400 0.107 0.000 0.817 216 E CB 1.364 31.113 29.700 0.083 0.000 1.080 216 E HN 0.780 nan 8.360 nan 0.000 0.397 217 L N 2.157 123.388 121.223 0.013 0.000 2.552 217 L HA -0.041 4.300 4.340 0.001 0.000 0.227 217 L C 1.922 178.755 176.870 -0.063 0.000 1.146 217 L CA 0.404 55.215 54.840 -0.048 0.000 0.858 217 L CB -0.072 41.879 42.059 -0.180 0.000 0.969 217 L HN 0.139 nan 8.230 nan 0.000 0.451 218 R N 0.480 120.958 120.500 -0.037 0.000 2.246 218 R HA 0.063 4.404 4.340 0.001 0.000 0.199 218 R C 0.295 176.589 176.300 -0.010 0.000 0.984 218 R CA 0.463 56.541 56.100 -0.037 0.000 1.015 218 R CB 0.063 30.342 30.300 -0.035 0.000 0.930 218 R HN 0.111 nan 8.270 nan 0.000 0.475 219 K N 0.921 121.331 120.400 0.017 0.000 3.022 219 K HA 0.246 4.567 4.320 0.001 0.000 0.178 219 K C -2.532 174.108 176.600 0.067 0.000 1.089 219 K CA -1.275 55.033 56.287 0.035 0.000 0.916 219 K CB 1.457 33.980 32.500 0.039 0.000 1.159 219 K HN 0.002 nan 8.250 nan 0.000 0.592 220 P HA 0.329 nan 4.420 nan 0.000 0.281 220 P C -2.476 174.868 177.300 0.074 0.000 1.249 220 P CA -1.487 61.661 63.100 0.081 0.000 0.810 220 P CB 0.353 32.085 31.700 0.055 0.000 1.008 221 P HA 0.308 nan 4.420 nan 0.000 0.272 221 P C -2.545 174.776 177.300 0.036 0.000 1.223 221 P CA -1.362 61.768 63.100 0.050 0.000 0.784 221 P CB -0.978 30.745 31.700 0.038 0.000 0.923 222 P HA 0.111 nan 4.420 nan 0.000 0.272 222 P C 0.025 177.342 177.300 0.029 0.000 1.240 222 P CA -0.001 63.125 63.100 0.044 0.000 0.791 222 P CB 0.136 31.857 31.700 0.035 0.000 0.978 223 N N -0.940 117.785 118.700 0.041 0.000 2.741 223 N HA -0.174 4.567 4.740 0.001 0.000 0.250 223 N C 0.601 176.102 175.510 -0.015 0.000 1.115 223 N CA 0.330 53.391 53.050 0.018 0.000 0.724 223 N CB -1.508 36.977 38.487 -0.004 0.000 1.090 223 N HN 0.318 nan 8.380 nan 0.000 0.558 224 L N -0.568 120.671 121.223 0.027 0.000 2.201 224 L HA 0.072 4.413 4.340 0.001 0.000 0.212 224 L C 1.964 178.776 176.870 -0.097 0.000 1.105 224 L CA 1.513 56.338 54.840 -0.025 0.000 0.775 224 L CB -0.433 41.699 42.059 0.122 0.000 0.913 224 L HN 0.288 nan 8.230 nan 0.000 0.440 225 F N 0.026 119.757 119.950 -0.365 0.000 2.186 225 F HA -0.157 4.370 4.527 -0.001 0.000 0.299 225 F C 2.238 177.814 175.800 -0.374 0.000 1.090 225 F CA 1.397 58.985 58.000 -0.687 0.000 1.307 225 F CB -0.061 38.396 39.000 -0.906 0.000 1.019 225 F HN -0.021 nan 8.300 nan 0.000 0.489 226 K N 0.378 120.678 120.400 -0.167 0.000 2.097 226 K HA -0.083 4.238 4.320 0.001 0.000 0.205 226 K C 1.975 178.441 176.600 -0.223 0.000 1.050 226 K CA 1.047 57.227 56.287 -0.179 0.000 0.938 226 K CB -0.583 31.876 32.500 -0.068 0.000 0.718 226 K HN 0.182 nan 8.250 nan 0.000 0.442 227 I N 0.784 121.232 120.570 -0.205 0.000 2.163 227 I HA -0.264 3.907 4.170 0.001 0.000 0.243 227 I C 2.119 178.100 176.117 -0.227 0.000 1.085 227 I CA 1.468 62.652 61.300 -0.192 0.000 1.347 227 I CB -0.884 36.977 38.000 -0.233 0.000 1.044 227 I HN 0.115 nan 8.210 nan 0.000 0.408 228 I N 0.260 120.641 120.570 -0.316 0.000 2.179 228 I HA -0.322 3.849 4.170 0.001 0.000 0.242 228 I C 2.708 178.599 176.117 -0.378 0.000 1.088 228 I CA 1.264 62.358 61.300 -0.342 0.000 1.357 228 I CB -0.380 37.359 38.000 -0.435 0.000 1.051 228 I HN 0.324 nan 8.210 nan 0.000 0.409 229 Q N 0.549 120.050 119.800 -0.498 0.000 2.061 229 Q HA -0.285 4.056 4.340 0.001 0.000 0.204 229 Q C 2.273 178.129 176.000 -0.239 0.000 0.984 229 Q CA 1.715 57.277 55.803 -0.402 0.000 0.846 229 Q CB -0.216 28.259 28.738 -0.438 0.000 0.902 229 Q HN 0.415 nan 8.270 nan 0.000 0.421 230 K N 0.545 120.823 120.400 -0.203 0.000 2.032 230 K HA -0.177 4.144 4.320 0.001 0.000 0.209 230 K C 2.087 178.616 176.600 -0.117 0.000 1.048 230 K CA 1.219 57.425 56.287 -0.135 0.000 0.927 230 K CB -0.184 32.246 32.500 -0.117 0.000 0.712 230 K HN 0.162 nan 8.250 nan 0.000 0.441 231 A N 1.402 124.144 122.820 -0.131 0.000 1.883 231 A HA -0.171 4.149 4.320 0.001 0.000 0.217 231 A C 2.165 179.674 177.584 -0.125 0.000 1.186 231 A CA 1.630 53.599 52.037 -0.113 0.000 0.624 231 A CB -0.710 18.225 19.000 -0.109 0.000 0.822 231 A HN 0.345 nan 8.150 nan 0.000 0.444 232 L N -0.894 120.237 121.223 -0.153 0.000 2.017 232 L HA -0.209 4.132 4.340 0.001 0.000 0.208 232 L C 2.603 179.407 176.870 -0.110 0.000 1.073 232 L CA 1.742 56.495 54.840 -0.145 0.000 0.745 232 L CB -0.687 41.269 42.059 -0.172 0.000 0.894 232 L HN 0.451 nan 8.230 nan 0.000 0.432 233 E N 0.121 120.259 120.200 -0.103 0.000 2.130 233 E HA -0.283 4.068 4.350 0.001 0.000 0.196 233 E C 1.908 178.479 176.600 -0.049 0.000 0.998 233 E CA 1.387 57.744 56.400 -0.071 0.000 0.806 233 E CB -0.028 29.633 29.700 -0.065 0.000 0.738 233 E HN 0.317 nan 8.360 nan 0.000 0.459 234 K N -1.239 119.132 120.400 -0.049 0.000 2.404 234 K HA 0.060 4.381 4.320 0.001 0.000 0.194 234 K C 0.825 177.405 176.600 -0.034 0.000 1.023 234 K CA 0.517 56.793 56.287 -0.018 0.000 1.094 234 K CB 0.850 33.353 32.500 0.005 0.000 0.841 234 K HN 0.240 nan 8.250 nan 0.000 0.523 235 G N 0.339 109.102 108.800 -0.062 0.000 2.141 235 G HA2 -0.255 3.706 3.960 0.001 0.000 0.242 235 G HA3 -0.255 3.706 3.960 0.001 0.000 0.242 235 G C 0.036 174.877 174.900 -0.098 0.000 0.982 235 G CA 0.224 45.281 45.100 -0.072 0.000 0.662 235 G HN 0.262 nan 8.290 nan 0.000 0.527 236 S N -0.090 115.541 115.700 -0.116 0.000 2.584 236 S HA 0.561 5.032 4.470 0.001 0.000 0.270 236 S C 0.690 175.141 174.600 -0.250 0.000 1.346 236 S CA -0.045 58.054 58.200 -0.168 0.000 1.018 236 S CB 0.766 63.879 63.200 -0.144 0.000 0.899 236 S HN 0.449 nan 8.310 nan 0.000 0.542 237 L N 2.607 123.577 121.223 -0.423 0.000 2.317 237 L HA 0.566 4.907 4.340 0.001 0.000 0.281 237 L C -1.199 175.158 176.870 -0.854 0.000 1.024 237 L CA -0.798 53.620 54.840 -0.703 0.000 0.810 237 L CB 0.817 42.232 42.059 -1.073 0.000 1.240 237 L HN 0.351 nan 8.230 nan 0.000 0.427 238 L N 2.311 123.267 121.223 -0.446 0.000 2.408 238 L HA 0.876 5.217 4.340 0.001 0.000 0.268 238 L C 0.187 177.185 176.870 0.212 0.000 0.986 238 L CA -0.097 54.682 54.840 -0.103 0.000 0.820 238 L CB 2.061 44.054 42.059 -0.110 0.000 1.303 238 L HN 0.640 nan 8.230 nan 0.000 0.411 239 G N 0.302 109.291 108.800 0.314 0.000 2.660 239 G HA2 0.730 4.691 3.960 0.001 0.000 0.294 239 G HA3 0.730 4.691 3.960 0.001 0.000 0.294 239 G C -1.274 173.661 174.900 0.058 0.000 1.369 239 G CA -0.570 44.648 45.100 0.196 0.000 0.912 239 G HN 0.906 nan 8.290 nan 0.000 0.479 240 C N -0.414 118.894 119.300 0.014 0.000 3.171 240 C HA 1.005 5.466 4.460 0.001 0.000 0.308 240 C C -0.084 174.959 174.990 0.089 0.000 1.334 240 C CA -0.551 58.458 59.018 -0.015 0.000 1.473 240 C CB 1.154 28.828 27.740 -0.111 0.000 1.866 240 C HN 1.678 nan 8.230 nan 0.000 0.465 241 S N 0.012 115.835 115.700 0.206 0.000 2.587 241 S HA 0.754 5.225 4.470 0.001 0.000 0.269 241 S C -1.450 173.286 174.600 0.227 0.000 1.154 241 S CA -0.706 57.667 58.200 0.288 0.000 0.824 241 S CB 0.619 63.885 63.200 0.110 0.000 1.118 241 S HN 0.920 nan 8.310 nan 0.000 0.462 242 I N 1.715 122.341 120.570 0.094 0.000 2.354 242 I HA 0.345 4.516 4.170 0.001 0.000 0.292 242 I C -0.767 175.347 176.117 -0.004 0.000 0.989 242 I CA -0.671 60.597 61.300 -0.053 0.000 1.188 242 I CB 1.224 39.111 38.000 -0.188 0.000 1.342 242 I HN 0.565 nan 8.210 nan 0.000 0.457 243 D N 5.620 126.009 120.400 -0.018 0.000 2.434 243 D HA 0.028 4.669 4.640 0.001 0.000 0.252 243 D C 0.834 177.137 176.300 0.005 0.000 1.185 243 D CA 0.206 54.205 54.000 -0.002 0.000 0.886 243 D CB 1.538 42.333 40.800 -0.009 0.000 1.148 243 D HN 0.364 nan 8.370 nan 0.000 0.483 244 I N 1.474 122.058 120.570 0.023 0.000 2.731 244 I HA -0.083 4.088 4.170 0.001 0.000 0.260 244 I C 0.416 176.549 176.117 0.025 0.000 1.138 244 I CA 0.779 62.098 61.300 0.032 0.000 1.461 244 I CB 0.010 38.042 38.000 0.054 0.000 1.128 244 I HN 0.114 nan 8.210 nan 0.000 0.438 245 T N 2.880 117.448 114.554 0.023 0.000 2.738 245 T HA 0.250 4.601 4.350 0.001 0.000 0.293 245 T C 0.548 175.253 174.700 0.010 0.000 0.913 245 T CA 0.550 62.660 62.100 0.018 0.000 1.103 245 T CB -0.066 68.812 68.868 0.018 0.000 0.880 245 T HN 0.485 nan 8.240 nan 0.000 0.526 246 S N 0.688 116.392 115.700 0.007 0.000 4.055 246 S HA 0.154 4.625 4.470 0.001 0.000 0.323 246 S C -0.205 174.394 174.600 -0.001 0.000 1.068 246 S CA -0.331 57.869 58.200 0.000 0.000 0.892 246 S CB -2.018 61.179 63.200 -0.005 0.000 0.846 246 S HN 1.951 nan 8.310 nan 0.000 0.532 247 A N -0.061 122.764 122.820 0.007 0.000 2.590 247 A HA 0.937 5.258 4.320 0.001 0.000 0.294 247 A C 0.274 177.870 177.584 0.020 0.000 1.046 247 A CA -0.088 51.956 52.037 0.011 0.000 0.684 247 A CB -0.131 18.875 19.000 0.011 0.000 1.279 247 A HN 2.179 nan 8.150 nan 0.000 0.415 248 A N 1.915 124.750 122.820 0.025 0.000 2.453 248 A HA 0.149 4.469 4.320 0.001 0.000 0.293 248 A C 0.904 178.506 177.584 0.029 0.000 1.022 248 A CA 1.503 53.556 52.037 0.027 0.000 1.078 248 A CB -1.138 17.884 19.000 0.036 0.000 0.846 248 A HN 0.944 nan 8.150 nan 0.000 0.473 249 D N 2.062 122.475 120.400 0.023 0.000 2.978 249 D HA -0.314 4.326 4.640 0.001 0.000 0.235 249 D C 2.021 178.340 176.300 0.031 0.000 1.081 249 D CA 2.977 56.991 54.000 0.024 0.000 0.925 249 D CB -0.255 40.556 40.800 0.019 0.000 1.070 249 D HN 0.790 nan 8.370 nan 0.000 0.494 250 S N -1.324 114.395 115.700 0.032 0.000 2.540 250 S HA 0.155 4.626 4.470 0.001 0.000 0.218 250 S C 0.272 174.899 174.600 0.044 0.000 0.977 250 S CA -0.364 57.859 58.200 0.037 0.000 0.918 250 S CB 0.377 63.596 63.200 0.031 0.000 0.806 250 S HN 0.161 nan 8.310 nan 0.000 0.496 251 E N 1.371 121.598 120.200 0.046 0.000 2.035 251 E HA 0.511 4.862 4.350 0.001 0.000 0.271 251 E C 0.561 177.198 176.600 0.061 0.000 0.953 251 E CA -0.343 56.090 56.400 0.055 0.000 0.777 251 E CB 1.400 31.133 29.700 0.055 0.000 1.104 251 E HN 0.409 nan 8.360 nan 0.000 0.408 252 A N 3.600 126.463 122.820 0.071 0.000 1.929 252 A HA -0.017 4.304 4.320 0.001 0.000 0.216 252 A C 1.069 178.690 177.584 0.062 0.000 1.176 252 A CA 0.504 52.585 52.037 0.074 0.000 0.628 252 A CB 0.340 19.396 19.000 0.093 0.000 0.816 252 A HN 0.369 nan 8.150 nan 0.000 0.444 253 V N 2.167 122.124 119.914 0.072 0.000 2.385 253 V HA 0.321 4.442 4.120 0.001 0.000 0.269 253 V C 0.869 177.002 176.094 0.065 0.000 1.043 253 V CA -0.022 62.313 62.300 0.058 0.000 0.906 253 V CB 0.488 32.365 31.823 0.091 0.000 0.995 253 V HN 0.569 nan 8.190 nan 0.000 0.467 254 T N 2.227 116.812 114.554 0.051 0.000 2.816 254 T HA 0.197 4.548 4.350 0.001 0.000 0.282 254 T C 1.138 175.892 174.700 0.089 0.000 0.993 254 T CA 0.152 62.312 62.100 0.099 0.000 0.994 254 T CB 0.587 69.508 68.868 0.089 0.000 1.025 254 T HN 0.674 nan 8.240 nan 0.000 0.529 255 Y N 0.097 120.395 120.300 -0.002 0.000 2.403 255 Y HA 0.079 4.630 4.550 0.001 0.000 0.291 255 Y C 2.018 177.880 175.900 -0.062 0.000 1.143 255 Y CA 0.908 58.995 58.100 -0.023 0.000 1.257 255 Y CB -0.889 37.559 38.460 -0.020 0.000 0.984 255 Y HN 0.657 nan 8.280 nan 0.000 0.550 256 Q N 0.973 120.347 119.800 -0.711 0.000 2.222 256 Q HA 0.099 4.440 4.340 0.001 0.000 0.206 256 Q C -0.153 175.634 176.000 -0.355 0.000 0.877 256 Q CA -0.130 55.258 55.803 -0.690 0.000 0.958 256 Q CB 0.283 28.511 28.738 -0.850 0.000 1.075 256 Q HN 0.241 nan 8.270 nan 0.000 0.483 257 K N -0.174 120.109 120.400 -0.194 0.000 3.069 257 K HA -0.195 4.126 4.320 0.001 0.000 0.267 257 K C -0.638 175.934 176.600 -0.047 0.000 1.082 257 K CA 0.723 56.956 56.287 -0.091 0.000 0.782 257 K CB -2.349 30.099 32.500 -0.087 0.000 1.230 257 K HN 0.345 nan 8.250 nan 0.000 0.488 258 L N 0.182 121.380 121.223 -0.041 0.000 2.343 258 L HA 0.426 4.767 4.340 0.001 0.000 0.275 258 L C 0.667 177.552 176.870 0.024 0.000 1.056 258 L CA -1.205 53.642 54.840 0.011 0.000 0.804 258 L CB 1.513 43.499 42.059 -0.122 0.000 1.203 258 L HN -0.213 nan 8.230 nan 0.000 0.440 259 V N 2.079 122.077 119.914 0.139 0.000 2.370 259 V HA 0.320 4.441 4.120 0.001 0.000 0.283 259 V C -0.002 176.196 176.094 0.174 0.000 1.023 259 V CA -0.938 61.380 62.300 0.030 0.000 0.857 259 V CB 1.199 32.777 31.823 -0.409 0.000 0.985 259 V HN 0.651 nan 8.190 nan 0.000 0.443 260 K N 2.607 123.062 120.400 0.092 0.000 2.144 260 K HA 0.594 4.915 4.320 0.001 0.000 0.270 260 K C 1.029 177.717 176.600 0.147 0.000 1.005 260 K CA 0.160 56.504 56.287 0.095 0.000 0.932 260 K CB 1.241 33.767 32.500 0.044 0.000 1.021 260 K HN 1.071 nan 8.250 nan 0.000 0.462 261 G N 1.937 110.824 108.800 0.146 0.000 2.198 261 G HA2 -0.266 3.694 3.960 0.001 0.000 0.257 261 G HA3 -0.266 3.694 3.960 0.001 0.000 0.257 261 G C -0.665 174.371 174.900 0.226 0.000 1.042 261 G CA 0.567 45.756 45.100 0.148 0.000 0.791 261 G HN 0.791 nan 8.290 nan 0.000 0.502 262 H N -0.655 118.488 119.070 0.121 0.000 2.947 262 H HA 0.680 5.237 4.556 0.002 0.000 0.354 262 H C -0.006 175.406 175.328 0.139 0.000 1.085 262 H CA 0.331 56.440 56.048 0.101 0.000 1.253 262 H CB 1.288 31.070 29.762 0.033 0.000 1.757 262 H HN 0.732 nan 8.280 nan 0.000 0.523 263 A N 4.394 126.989 122.820 -0.374 0.000 2.409 263 A HA 0.438 4.759 4.320 0.001 0.000 0.262 263 A C -1.238 176.118 177.584 -0.381 0.000 1.113 263 A CA -0.081 51.812 52.037 -0.239 0.000 0.790 263 A CB -0.285 18.605 19.000 -0.183 0.000 1.046 263 A HN 0.590 nan 8.150 nan 0.000 0.496 264 Y N 0.751 120.946 120.300 -0.175 0.000 2.528 264 Y HA 0.487 5.037 4.550 0.001 0.000 0.335 264 Y C 0.742 176.562 175.900 -0.133 0.000 1.093 264 Y CA -0.329 57.687 58.100 -0.141 0.000 1.134 264 Y CB 2.151 40.572 38.460 -0.065 0.000 1.253 264 Y HN 0.613 nan 8.280 nan 0.000 0.478 265 S N 1.056 116.759 115.700 0.006 0.000 2.489 265 S HA 0.504 4.975 4.470 0.001 0.000 0.291 265 S C -0.865 173.674 174.600 -0.103 0.000 1.151 265 S CA -0.840 57.354 58.200 -0.010 0.000 1.082 265 S CB 1.164 64.347 63.200 -0.028 0.000 1.019 265 S HN 0.329 nan 8.310 nan 0.000 0.492 266 V N 3.384 123.229 119.914 -0.115 0.000 2.385 266 V HA 0.283 4.404 4.120 0.001 0.000 0.269 266 V C 1.248 177.202 176.094 -0.232 0.000 1.043 266 V CA -0.236 61.922 62.300 -0.238 0.000 0.906 266 V CB 0.613 32.286 31.823 -0.250 0.000 0.995 266 V HN 1.140 nan 8.190 nan 0.000 0.467 267 T N 0.400 114.772 114.554 -0.304 0.000 3.044 267 T HA 0.520 4.871 4.350 0.001 0.000 0.260 267 T C 0.567 175.094 174.700 -0.287 0.000 1.019 267 T CA 0.344 62.283 62.100 -0.268 0.000 0.921 267 T CB 0.569 69.276 68.868 -0.268 0.000 1.053 267 T HN 1.036 nan 8.240 nan 0.000 0.533 268 G N -0.151 108.440 108.800 -0.349 0.000 2.489 268 G HA2 0.621 4.581 3.960 0.001 0.000 0.291 268 G HA3 0.621 4.581 3.960 0.001 0.000 0.291 268 G C -2.034 172.728 174.900 -0.230 0.000 1.487 268 G CA -0.351 44.586 45.100 -0.272 0.000 0.795 268 G HN 0.782 nan 8.290 nan 0.000 0.513 269 A N 0.870 123.654 122.820 -0.060 0.000 2.509 269 A HA 0.762 5.082 4.320 0.001 0.000 0.282 269 A C -0.985 176.664 177.584 0.109 0.000 1.054 269 A CA -0.553 51.462 52.037 -0.037 0.000 0.820 269 A CB 1.528 20.203 19.000 -0.542 0.000 1.333 269 A HN 0.467 nan 8.150 nan 0.000 0.409 270 E N 1.203 121.613 120.200 0.351 0.000 2.288 270 E HA 0.376 4.727 4.350 0.001 0.000 0.268 270 E C -1.074 175.624 176.600 0.164 0.000 0.885 270 E CA -0.565 55.948 56.400 0.188 0.000 0.767 270 E CB 2.647 32.358 29.700 0.019 0.000 1.220 270 E HN 0.740 nan 8.360 nan 0.000 0.427 271 E N 1.529 121.777 120.200 0.080 0.000 2.134 271 E HA 0.372 4.723 4.350 0.001 0.000 0.278 271 E C -0.777 175.749 176.600 -0.124 0.000 0.959 271 E CA -0.670 55.688 56.400 -0.071 0.000 0.783 271 E CB 1.252 30.932 29.700 -0.033 0.000 1.095 271 E HN 0.314 nan 8.360 nan 0.000 0.399 272 V N 1.442 121.231 119.914 -0.207 0.000 2.769 272 V HA 0.501 4.622 4.120 0.001 0.000 0.312 272 V C -0.381 175.630 176.094 -0.138 0.000 1.061 272 V CA -0.979 61.210 62.300 -0.186 0.000 0.931 272 V CB 1.795 33.450 31.823 -0.280 0.000 1.010 272 V HN 0.689 nan 8.190 nan 0.000 0.433 273 E N 2.668 122.823 120.200 -0.076 0.000 2.194 273 E HA 0.407 4.758 4.350 0.001 0.000 0.284 273 E C -0.842 175.755 176.600 -0.005 0.000 1.035 273 E CA 0.052 56.429 56.400 -0.038 0.000 0.836 273 E CB 1.557 31.244 29.700 -0.022 0.000 1.070 273 E HN 0.962 nan 8.360 nan 0.000 0.401 274 S N 3.385 119.098 115.700 0.022 0.000 2.774 274 S HA 0.227 4.698 4.470 0.001 0.000 0.297 274 S C -0.444 174.185 174.600 0.049 0.000 1.143 274 S CA -0.235 58.012 58.200 0.078 0.000 1.090 274 S CB 0.315 63.634 63.200 0.199 0.000 1.019 274 S HN 0.544 nan 8.310 nan 0.000 0.482 275 S N 3.346 119.066 115.700 0.033 0.000 3.549 275 S HA -0.175 4.295 4.470 0.001 0.000 0.366 275 S C 1.280 175.886 174.600 0.011 0.000 1.012 275 S CA 1.344 59.553 58.200 0.016 0.000 1.141 275 S CB -1.738 61.465 63.200 0.006 0.000 0.910 275 S HN 2.225 nan 8.310 nan 0.000 0.471 276 G N -0.417 108.389 108.800 0.010 0.000 2.217 276 G HA2 -0.294 3.667 3.960 0.001 0.000 0.246 276 G HA3 -0.294 3.667 3.960 0.001 0.000 0.246 276 G C 0.082 174.982 174.900 0.000 0.000 0.990 276 G CA 0.527 45.629 45.100 0.003 0.000 0.627 276 G HN 1.971 nan 8.290 nan 0.000 0.522 277 S N 0.314 116.017 115.700 0.005 0.000 2.525 277 S HA 0.782 5.253 4.470 0.001 0.000 0.290 277 S C -0.137 174.455 174.600 -0.013 0.000 1.152 277 S CA -0.885 57.316 58.200 0.000 0.000 1.072 277 S CB 2.207 65.413 63.200 0.011 0.000 1.027 277 S HN 0.638 nan 8.310 nan 0.000 0.500 278 L N 3.390 124.594 121.223 -0.033 0.000 2.410 278 L HA 0.379 4.719 4.340 0.001 0.000 0.273 278 L C 0.137 176.953 176.870 -0.090 0.000 1.144 278 L CA 0.894 55.693 54.840 -0.068 0.000 0.863 278 L CB 0.447 42.460 42.059 -0.076 0.000 1.140 278 L HN 0.684 nan 8.230 nan 0.000 0.463 279 Q N 4.155 123.868 119.800 -0.145 0.000 2.330 279 Q HA 0.374 4.715 4.340 0.001 0.000 0.269 279 Q C -0.830 174.973 176.000 -0.328 0.000 1.022 279 Q CA -0.593 55.094 55.803 -0.193 0.000 0.796 279 Q CB 2.161 30.776 28.738 -0.204 0.000 1.271 279 Q HN 0.425 nan 8.270 nan 0.000 0.450 280 K N 2.800 122.974 120.400 -0.377 0.000 2.234 280 K HA 0.576 4.897 4.320 0.001 0.000 0.277 280 K C -0.389 176.005 176.600 -0.344 0.000 1.038 280 K CA -0.205 55.689 56.287 -0.655 0.000 0.888 280 K CB 1.049 32.827 32.500 -1.203 0.000 1.091 280 K HN 0.366 nan 8.250 nan 0.000 0.467 281 L N 4.391 125.534 121.223 -0.133 0.000 2.362 281 L HA 0.590 4.931 4.340 0.001 0.000 0.271 281 L C -0.625 176.512 176.870 0.445 0.000 1.002 281 L CA -1.029 53.853 54.840 0.070 0.000 0.818 281 L CB 1.740 43.669 42.059 -0.217 0.000 1.298 281 L HN 0.591 nan 8.230 nan 0.000 0.420 282 I N 2.413 123.203 120.570 0.367 0.000 2.474 282 I HA 0.449 4.620 4.170 0.001 0.000 0.294 282 I C -0.524 175.504 176.117 -0.147 0.000 1.005 282 I CA -0.570 60.775 61.300 0.074 0.000 1.113 282 I CB 2.008 39.870 38.000 -0.231 0.000 1.289 282 I HN 0.652 nan 8.210 nan 0.000 0.436 283 R N 7.746 127.867 120.500 -0.633 0.000 2.294 283 R HA 0.603 4.944 4.340 0.001 0.000 0.319 283 R C -1.436 174.434 176.300 -0.717 0.000 0.984 283 R CA -0.590 54.878 56.100 -1.053 0.000 0.861 283 R CB 0.941 30.228 30.300 -1.689 0.000 1.104 283 R HN 0.511 nan 8.270 nan 0.000 0.451 284 I N 3.680 123.782 120.570 -0.780 0.000 2.608 284 I HA 0.440 4.611 4.170 0.001 0.000 0.295 284 I C -0.341 175.323 176.117 -0.756 0.000 1.049 284 I CA -0.734 60.136 61.300 -0.717 0.000 1.063 284 I CB 1.873 39.404 38.000 -0.781 0.000 1.248 284 I HN 0.658 nan 8.210 nan 0.000 0.424 285 R N 3.518 123.803 120.500 -0.359 0.000 2.476 285 R HA 0.330 4.671 4.340 0.001 0.000 0.305 285 R C -0.597 175.634 176.300 -0.115 0.000 0.965 285 R CA -0.642 55.319 56.100 -0.232 0.000 0.867 285 R CB 1.199 31.388 30.300 -0.186 0.000 1.176 285 R HN 0.592 nan 8.270 nan 0.000 0.447 286 N N 5.728 124.377 118.700 -0.085 0.000 2.420 286 N HA 0.078 4.819 4.740 0.001 0.000 0.262 286 N C -1.783 173.640 175.510 -0.144 0.000 1.144 286 N CA -1.919 50.934 53.050 -0.329 0.000 0.952 286 N CB 1.298 39.706 38.487 -0.131 0.000 1.081 286 N HN 0.418 nan 8.380 nan 0.000 0.480 287 P HA -0.058 nan 4.420 nan 0.000 0.236 287 P C 0.810 178.201 177.300 0.152 0.000 1.172 287 P CA 0.603 63.678 63.100 -0.041 0.000 0.759 287 P CB -0.014 31.620 31.700 -0.110 0.000 0.843 288 W N 0.882 122.172 121.300 -0.017 0.000 2.421 288 W HA 0.133 4.794 4.660 0.003 0.000 0.270 288 W C 1.851 178.346 176.519 -0.040 0.000 1.233 288 W CA 1.432 58.766 57.345 -0.019 0.000 1.226 288 W CB -1.651 27.808 29.460 -0.002 0.000 1.121 288 W HN 0.191 nan 8.180 nan 0.000 0.579 289 G N 0.851 109.759 108.800 0.179 0.000 2.179 289 G HA2 -0.255 3.705 3.960 0.001 0.000 0.257 289 G HA3 -0.255 3.705 3.960 0.001 0.000 0.257 289 G C 0.200 175.188 174.900 0.147 0.000 1.010 289 G CA 0.701 45.861 45.100 0.099 0.000 0.736 289 G HN 0.449 nan 8.290 nan 0.000 0.513 290 Q N -2.978 116.965 119.800 0.237 0.000 2.687 290 Q HA 0.632 4.973 4.340 0.001 0.000 0.295 290 Q C -0.273 175.917 176.000 0.317 0.000 0.920 290 Q CA -0.826 55.123 55.803 0.242 0.000 0.766 290 Q CB 1.599 30.463 28.738 0.211 0.000 1.467 290 Q HN 1.354 nan 8.270 nan 0.000 0.415 291 V N -0.149 119.923 119.914 0.264 0.000 3.559 291 V HA -0.199 3.921 4.120 0.001 0.000 0.476 291 V C -1.065 175.145 176.094 0.192 0.000 0.682 291 V CA 1.427 63.864 62.300 0.229 0.000 1.988 291 V CB -1.267 30.761 31.823 0.342 0.000 2.423 291 V HN 0.787 nan 8.190 nan 0.000 0.500 292 E N 4.206 124.488 120.200 0.138 0.000 2.277 292 E HA 0.290 4.641 4.350 0.001 0.000 0.266 292 E C 0.072 176.562 176.600 -0.184 0.000 0.901 292 E CA -0.897 55.563 56.400 0.101 0.000 0.782 292 E CB 1.864 31.721 29.700 0.262 0.000 1.228 292 E HN 0.725 nan 8.360 nan 0.000 0.424 293 W N 3.596 124.313 121.300 -0.971 0.000 2.626 293 W HA -0.150 4.512 4.660 0.004 0.000 0.331 293 W C 0.129 176.407 176.519 -0.401 0.000 1.076 293 W CA 1.426 58.258 57.345 -0.855 0.000 1.239 293 W CB 0.500 29.104 29.460 -1.426 0.000 1.129 293 W HN 0.645 nan 8.180 nan 0.000 0.557 294 T N 2.434 116.498 114.554 -0.817 0.000 3.085 294 T HA 0.268 4.619 4.350 0.001 0.000 0.264 294 T C 0.855 174.960 174.700 -0.991 0.000 1.019 294 T CA 0.200 61.884 62.100 -0.693 0.000 0.910 294 T CB 0.412 69.016 68.868 -0.441 0.000 1.059 294 T HN 0.454 nan 8.240 nan 0.000 0.542 295 G N 1.106 108.683 108.800 -2.038 0.000 2.489 295 G HA2 0.361 4.322 3.960 0.001 0.000 0.271 295 G HA3 0.361 4.322 3.960 0.001 0.000 0.271 295 G C -0.312 174.240 174.900 -0.579 0.000 1.427 295 G CA -0.847 43.351 45.100 -1.504 0.000 1.057 295 G HN 0.289 nan 8.290 nan 0.000 0.532 296 K N -0.554 119.820 120.400 -0.043 0.000 2.489 296 K HA -0.020 4.301 4.320 0.001 0.000 0.278 296 K C -0.250 176.558 176.600 0.347 0.000 1.000 296 K CA 0.448 56.724 56.287 -0.017 0.000 1.012 296 K CB 0.016 32.499 32.500 -0.028 0.000 0.903 296 K HN 0.643 nan 8.250 nan 0.000 0.485 297 W N -0.555 120.846 121.300 0.168 0.000 1.619 297 W HA -0.291 4.371 4.660 0.004 0.000 0.250 297 W C 0.365 177.317 176.519 0.721 0.000 1.014 297 W CA 0.529 58.024 57.345 0.249 0.000 0.427 297 W CB -2.449 27.136 29.460 0.207 0.000 2.027 297 W HN 0.754 nan 8.180 nan 0.000 1.216 298 N N 1.303 120.393 118.700 0.651 0.000 2.344 298 N HA 0.060 4.801 4.740 0.001 0.000 0.236 298 N C 0.743 176.590 175.510 0.561 0.000 1.279 298 N CA 1.047 54.414 53.050 0.528 0.000 0.882 298 N CB 0.488 39.041 38.487 0.111 0.000 1.110 298 N HN -0.025 nan 8.380 nan 0.000 0.436 299 D N -0.352 120.297 120.400 0.416 0.000 2.239 299 D HA -0.179 4.462 4.640 0.001 0.000 0.202 299 D C 0.298 176.725 176.300 0.213 0.000 0.993 299 D CA 1.284 55.443 54.000 0.265 0.000 0.874 299 D CB -0.224 40.682 40.800 0.177 0.000 0.922 299 D HN 0.580 nan 8.370 nan 0.000 0.464 300 N N -0.577 118.250 118.700 0.211 0.000 2.187 300 N HA 0.009 4.750 4.740 0.001 0.000 0.212 300 N C -0.225 175.374 175.510 0.150 0.000 1.152 300 N CA -0.167 52.970 53.050 0.144 0.000 0.872 300 N CB 0.436 38.968 38.487 0.075 0.000 1.025 300 N HN 0.092 nan 8.380 nan 0.000 0.514 301 C N 2.761 122.204 119.300 0.238 0.000 2.633 301 C HA 0.111 4.572 4.460 0.001 0.000 0.415 301 C C -0.713 174.322 174.990 0.074 0.000 1.393 301 C CA -1.050 58.023 59.018 0.091 0.000 1.700 301 C CB 0.462 28.195 27.740 -0.012 0.000 2.541 301 C HN 0.275 nan 8.230 nan 0.000 0.603 302 P HA -0.093 nan 4.420 nan 0.000 0.225 302 P C 1.352 178.587 177.300 -0.109 0.000 1.148 302 P CA 1.464 64.540 63.100 -0.040 0.000 0.779 302 P CB -0.039 31.620 31.700 -0.069 0.000 0.780 303 S N -3.181 112.331 115.700 -0.313 0.000 2.607 303 S HA -0.082 4.389 4.470 0.001 0.000 0.224 303 S C 1.520 175.851 174.600 -0.448 0.000 0.969 303 S CA -0.154 57.726 58.200 -0.534 0.000 0.927 303 S CB -1.354 61.225 63.200 -1.034 0.000 0.772 303 S HN 0.242 nan 8.310 nan 0.000 0.533 304 W N 2.427 123.687 121.300 -0.065 0.000 2.519 304 W HA 0.157 4.818 4.660 0.000 0.000 0.266 304 W C 1.784 178.347 176.519 0.074 0.000 1.253 304 W CA -0.007 57.410 57.345 0.120 0.000 1.274 304 W CB -0.297 29.243 29.460 0.134 0.000 1.114 304 W HN 0.320 nan 8.180 nan 0.000 0.596 305 N N -0.798 118.018 118.700 0.195 0.000 2.520 305 N HA -0.079 4.662 4.740 0.001 0.000 0.185 305 N C 1.355 176.918 175.510 0.089 0.000 1.068 305 N CA 1.243 54.366 53.050 0.121 0.000 0.911 305 N CB -0.410 38.115 38.487 0.064 0.000 0.961 305 N HN 0.080 nan 8.380 nan 0.000 0.446 306 T N 0.284 114.885 114.554 0.078 0.000 3.044 306 T HA 0.166 4.516 4.350 0.001 0.000 0.250 306 T C 0.632 175.388 174.700 0.094 0.000 1.081 306 T CA -0.016 62.114 62.100 0.050 0.000 1.040 306 T CB 0.432 69.290 68.868 -0.015 0.000 0.962 306 T HN -0.168 nan 8.240 nan 0.000 0.506 307 V N 2.219 122.227 119.914 0.157 0.000 2.612 307 V HA 0.270 4.391 4.120 0.001 0.000 0.301 307 V C 0.270 176.441 176.094 0.129 0.000 1.046 307 V CA -1.439 60.958 62.300 0.160 0.000 0.946 307 V CB 1.710 33.692 31.823 0.265 0.000 1.003 307 V HN 0.338 nan 8.190 nan 0.000 0.459 308 D N 4.543 124.994 120.400 0.085 0.000 2.533 308 D HA -0.015 4.626 4.640 0.001 0.000 0.236 308 D C -1.633 174.711 176.300 0.073 0.000 1.137 308 D CA -0.800 53.237 54.000 0.062 0.000 0.867 308 D CB 1.797 42.619 40.800 0.037 0.000 1.170 308 D HN 0.215 nan 8.370 nan 0.000 0.474 309 P HA -0.181 nan 4.420 nan 0.000 0.216 309 P C 0.934 178.255 177.300 0.034 0.000 1.157 309 P CA 1.232 64.363 63.100 0.051 0.000 0.880 309 P CB 0.242 31.965 31.700 0.037 0.000 0.791 310 E N -0.795 119.420 120.200 0.025 0.000 2.208 310 E HA -0.064 4.287 4.350 0.001 0.000 0.193 310 E C 2.100 178.707 176.600 0.010 0.000 0.988 310 E CA 0.750 57.158 56.400 0.014 0.000 0.828 310 E CB -1.043 28.664 29.700 0.011 0.000 0.763 310 E HN 0.147 nan 8.360 nan 0.000 0.478 311 V N 1.486 121.411 119.914 0.019 0.000 2.358 311 V HA -0.185 3.936 4.120 0.001 0.000 0.246 311 V C 2.587 178.686 176.094 0.009 0.000 1.047 311 V CA 1.565 63.872 62.300 0.013 0.000 1.035 311 V CB -0.493 31.340 31.823 0.018 0.000 0.658 311 V HN 0.177 nan 8.190 nan 0.000 0.452 312 R N 0.399 120.927 120.500 0.047 0.000 2.082 312 R HA -0.209 4.132 4.340 0.001 0.000 0.234 312 R C 2.366 178.611 176.300 -0.091 0.000 1.136 312 R CA 1.912 58.016 56.100 0.007 0.000 0.935 312 R CB -0.575 29.783 30.300 0.097 0.000 0.842 312 R HN 0.480 nan 8.270 nan 0.000 0.430 313 A N 1.019 123.816 122.820 -0.039 0.000 1.978 313 A HA -0.218 4.103 4.320 0.001 0.000 0.220 313 A C 1.927 179.490 177.584 -0.036 0.000 1.170 313 A CA 1.774 53.788 52.037 -0.039 0.000 0.636 313 A CB -0.824 18.167 19.000 -0.014 0.000 0.810 313 A HN 0.601 nan 8.150 nan 0.000 0.448 314 N N -0.711 117.974 118.700 -0.026 0.000 2.376 314 N HA 0.036 4.776 4.740 0.001 0.000 0.177 314 N C 1.479 176.996 175.510 0.012 0.000 1.024 314 N CA 0.743 53.790 53.050 -0.006 0.000 0.893 314 N CB 0.005 38.493 38.487 0.003 0.000 0.980 314 N HN 0.506 nan 8.380 nan 0.000 0.439 315 L N -0.909 120.295 121.223 -0.032 0.000 2.470 315 L HA 0.188 4.529 4.340 0.001 0.000 0.219 315 L C 0.716 177.639 176.870 0.089 0.000 1.071 315 L CA 0.338 55.199 54.840 0.034 0.000 0.850 315 L CB 0.632 42.563 42.059 -0.213 0.000 1.040 315 L HN -0.031 nan 8.230 nan 0.000 0.475 316 T N -0.290 114.160 114.554 -0.173 0.000 2.916 316 T HA 0.430 4.781 4.350 0.001 0.000 0.305 316 T C -1.436 173.147 174.700 -0.194 0.000 1.119 316 T CA -0.411 61.529 62.100 -0.268 0.000 1.008 316 T CB 2.437 70.676 68.868 -1.048 0.000 1.129 316 T HN 0.093 nan 8.240 nan 0.000 0.480 317 E N 1.687 121.824 120.200 -0.105 0.000 2.356 317 E HA 0.410 4.761 4.350 0.001 0.000 0.275 317 E C -0.986 175.600 176.600 -0.024 0.000 0.904 317 E CA -0.802 55.566 56.400 -0.055 0.000 0.757 317 E CB 1.662 31.357 29.700 -0.010 0.000 1.232 317 E HN 0.444 nan 8.360 nan 0.000 0.442 318 R N 2.776 123.270 120.500 -0.011 0.000 2.608 318 R HA 0.182 4.523 4.340 0.001 0.000 0.277 318 R C -0.791 175.531 176.300 0.037 0.000 1.341 318 R CA 0.305 56.418 56.100 0.022 0.000 1.199 318 R CB 0.347 30.658 30.300 0.019 0.000 1.156 318 R HN 0.390 nan 8.270 nan 0.000 0.558 319 Q N 1.641 121.475 119.800 0.058 0.000 2.268 319 Q HA 0.062 4.403 4.340 0.001 0.000 0.266 319 Q C -1.412 174.638 176.000 0.083 0.000 1.006 319 Q CA -0.736 55.102 55.803 0.058 0.000 0.824 319 Q CB 2.403 31.168 28.738 0.045 0.000 1.306 319 Q HN 0.277 nan 8.270 nan 0.000 0.424 320 E N 2.494 122.740 120.200 0.077 0.000 1.858 320 E HA 0.000 4.351 4.350 0.001 0.000 0.267 320 E C -0.471 176.184 176.600 0.091 0.000 1.215 320 E CA 0.390 56.847 56.400 0.095 0.000 0.952 320 E CB 0.120 29.869 29.700 0.081 0.000 1.058 320 E HN 0.495 nan 8.360 nan 0.000 0.407 321 D N 2.467 122.931 120.400 0.106 0.000 2.562 321 D HA 0.172 4.813 4.640 0.001 0.000 0.246 321 D C 1.187 177.543 176.300 0.092 0.000 1.347 321 D CA 0.203 54.250 54.000 0.079 0.000 0.800 321 D CB -0.006 40.822 40.800 0.047 0.000 1.111 321 D HN 0.479 nan 8.370 nan 0.000 0.508 322 G N 0.733 109.629 108.800 0.159 0.000 2.304 322 G HA2 -0.334 3.627 3.960 0.001 0.000 0.252 322 G HA3 -0.334 3.627 3.960 0.001 0.000 0.252 322 G C 0.103 175.116 174.900 0.188 0.000 1.014 322 G CA 0.334 45.548 45.100 0.190 0.000 0.619 322 G HN 0.580 nan 8.290 nan 0.000 0.525 323 E N 0.415 120.667 120.200 0.086 0.000 2.197 323 E HA 0.631 4.982 4.350 0.001 0.000 0.281 323 E C -0.077 176.554 176.600 0.052 0.000 0.995 323 E CA -0.986 55.353 56.400 -0.101 0.000 0.808 323 E CB 0.405 30.018 29.700 -0.145 0.000 1.093 323 E HN 0.593 nan 8.360 nan 0.000 0.394 324 F N 1.191 121.149 119.950 0.015 0.000 2.685 324 F HA 0.647 5.175 4.527 0.002 0.000 0.315 324 F C -1.679 174.138 175.800 0.028 0.000 1.126 324 F CA -1.434 56.656 58.000 0.151 0.000 0.950 324 F CB 0.615 39.811 39.000 0.327 0.000 1.360 324 F HN 0.276 nan 8.300 nan 0.000 0.469 325 W N 2.889 124.547 121.300 0.597 0.000 2.570 325 W HA 0.794 5.453 4.660 -0.001 0.000 0.337 325 W C -0.250 176.598 176.519 0.548 0.000 1.067 325 W CA -0.765 56.861 57.345 0.468 0.000 1.229 325 W CB 1.860 31.645 29.460 0.541 0.000 1.355 325 W HN 0.738 nan 8.180 nan 0.000 0.555 326 M N 0.834 120.728 119.600 0.489 0.000 2.593 326 M HA 0.652 5.133 4.480 0.001 0.000 0.290 326 M C -0.192 176.266 176.300 0.264 0.000 1.244 326 M CA -0.952 54.532 55.300 0.307 0.000 0.857 326 M CB 1.870 34.246 32.600 -0.373 0.000 1.738 326 M HN 0.358 nan 8.290 nan 0.000 0.461 327 S N 0.726 116.619 115.700 0.321 0.000 2.572 327 S HA 0.158 4.629 4.470 0.001 0.000 0.279 327 S C 0.517 175.270 174.600 0.255 0.000 1.341 327 S CA -0.429 57.895 58.200 0.206 0.000 1.043 327 S CB 0.463 63.847 63.200 0.307 0.000 0.887 327 S HN 0.699 nan 8.310 nan 0.000 0.516 328 F N 2.916 122.897 119.950 0.053 0.000 2.161 328 F HA -0.099 4.428 4.527 0.001 0.000 0.300 328 F C 2.477 178.393 175.800 0.192 0.000 1.089 328 F CA 1.855 59.935 58.000 0.133 0.000 1.282 328 F CB -1.077 37.932 39.000 0.016 0.000 1.010 328 F HN 0.702 nan 8.300 nan 0.000 0.485 329 S N -0.044 115.712 115.700 0.093 0.000 2.359 329 S HA -0.231 4.240 4.470 0.001 0.000 0.224 329 S C 1.728 176.346 174.600 0.031 0.000 1.035 329 S CA 1.566 59.773 58.200 0.011 0.000 1.018 329 S CB -0.518 62.726 63.200 0.073 0.000 0.876 329 S HN 0.426 nan 8.310 nan 0.000 0.448 330 D N 0.446 120.935 120.400 0.147 0.000 2.144 330 D HA -0.043 4.598 4.640 0.001 0.000 0.199 330 D C 1.590 178.015 176.300 0.207 0.000 0.984 330 D CA 0.649 54.789 54.000 0.234 0.000 0.834 330 D CB -0.319 40.635 40.800 0.257 0.000 0.955 330 D HN 0.403 nan 8.370 nan 0.000 0.465 331 F N 0.957 120.896 119.950 -0.018 0.000 2.069 331 F HA -0.242 4.284 4.527 -0.001 0.000 0.298 331 F C 1.991 177.772 175.800 -0.031 0.000 1.113 331 F CA 1.029 59.032 58.000 0.004 0.000 1.214 331 F CB -0.053 38.921 39.000 -0.043 0.000 0.978 331 F HN -0.115 nan 8.300 nan 0.000 0.474 332 L N 0.892 121.920 121.223 -0.325 0.000 2.083 332 L HA -0.142 4.199 4.340 0.001 0.000 0.209 332 L C 2.423 179.123 176.870 -0.284 0.000 1.083 332 L CA 1.537 56.127 54.840 -0.416 0.000 0.752 332 L CB -1.173 40.641 42.059 -0.408 0.000 0.899 332 L HN 0.151 nan 8.230 nan 0.000 0.433 333 R N -1.589 118.782 120.500 -0.215 0.000 2.193 333 R HA -0.053 4.287 4.340 0.001 0.000 0.213 333 R C 1.777 177.838 176.300 -0.399 0.000 1.055 333 R CA 0.851 56.789 56.100 -0.270 0.000 0.995 333 R CB -0.280 29.857 30.300 -0.271 0.000 0.893 333 R HN 0.508 nan 8.270 nan 0.000 0.459 334 H N -1.987 116.963 119.070 -0.200 0.000 2.545 334 H HA 0.156 4.712 4.556 0.001 0.000 0.283 334 H C -0.130 174.917 175.328 -0.467 0.000 0.997 334 H CA 0.186 56.057 56.048 -0.294 0.000 1.269 334 H CB 0.289 29.851 29.762 -0.333 0.000 1.451 334 H HN -0.016 nan 8.280 nan 0.000 0.508 335 Y N -0.075 120.040 120.300 -0.308 0.000 2.335 335 Y HA 0.183 4.735 4.550 0.002 0.000 0.323 335 Y C 1.297 177.001 175.900 -0.327 0.000 1.224 335 Y CA -0.236 57.639 58.100 -0.375 0.000 1.241 335 Y CB 1.688 39.769 38.460 -0.632 0.000 1.235 335 Y HN -0.001 nan 8.280 nan 0.000 0.492 336 S N 0.501 116.160 115.700 -0.068 0.000 2.475 336 S HA 0.171 4.641 4.470 0.001 0.000 0.224 336 S C 0.334 174.897 174.600 -0.061 0.000 1.042 336 S CA 0.008 58.164 58.200 -0.073 0.000 0.935 336 S CB 0.317 63.489 63.200 -0.047 0.000 0.801 336 S HN 0.562 nan 8.310 nan 0.000 0.509 337 R N 0.327 120.794 120.500 -0.055 0.000 2.651 337 R HA 0.541 4.882 4.340 0.001 0.000 0.278 337 R C -2.322 173.945 176.300 -0.056 0.000 1.010 337 R CA -0.670 55.387 56.100 -0.072 0.000 0.896 337 R CB 1.241 31.444 30.300 -0.162 0.000 1.211 337 R HN 0.126 nan 8.270 nan 0.000 0.456 338 L N 3.024 124.253 121.223 0.010 0.000 2.298 338 L HA 0.448 4.789 4.340 0.001 0.000 0.284 338 L C -0.990 175.848 176.870 -0.053 0.000 1.013 338 L CA 0.031 54.919 54.840 0.080 0.000 0.824 338 L CB 1.662 43.882 42.059 0.268 0.000 1.221 338 L HN 0.639 nan 8.230 nan 0.000 0.418 339 E N 6.288 126.391 120.200 -0.161 0.000 2.146 339 E HA 0.493 4.844 4.350 0.001 0.000 0.282 339 E C -0.997 175.679 176.600 0.127 0.000 0.989 339 E CA -0.242 55.998 56.400 -0.266 0.000 0.799 339 E CB 1.693 31.162 29.700 -0.385 0.000 1.088 339 E HN 0.522 nan 8.360 nan 0.000 0.397 340 I N 2.221 122.895 120.570 0.174 0.000 2.498 340 I HA 0.267 4.437 4.170 0.001 0.000 0.290 340 I C -0.702 175.456 176.117 0.069 0.000 1.032 340 I CA -0.985 60.367 61.300 0.086 0.000 1.073 340 I CB 1.862 39.919 38.000 0.095 0.000 1.251 340 I HN 0.513 nan 8.210 nan 0.000 0.426 341 C N 6.833 126.055 119.300 -0.130 0.000 2.291 341 C HA 0.465 4.926 4.460 0.001 0.000 0.322 341 C C -0.165 174.721 174.990 -0.174 0.000 1.205 341 C CA -0.597 58.350 59.018 -0.118 0.000 1.495 341 C CB -0.723 26.938 27.740 -0.131 0.000 2.127 341 C HN 0.694 nan 8.230 nan 0.000 0.452 342 N N 4.172 122.789 118.700 -0.139 0.000 2.515 342 N HA 0.322 5.063 4.740 0.001 0.000 0.279 342 N C 0.776 176.195 175.510 -0.153 0.000 1.164 342 N CA -0.359 52.608 53.050 -0.137 0.000 0.982 342 N CB 1.287 39.697 38.487 -0.128 0.000 1.170 342 N HN 0.659 nan 8.380 nan 0.000 0.474 343 L N -0.294 120.863 121.223 -0.110 0.000 2.554 343 L HA 0.034 4.375 4.340 0.001 0.000 0.226 343 L C 1.107 177.911 176.870 -0.111 0.000 1.137 343 L CA 0.531 55.315 54.840 -0.093 0.000 0.863 343 L CB -0.405 41.627 42.059 -0.045 0.000 0.985 343 L HN 0.594 nan 8.230 nan 0.000 0.451 344 T N -5.271 109.200 114.554 -0.140 0.000 2.930 344 T HA 0.409 4.759 4.350 0.001 0.000 0.290 344 T C -2.394 172.026 174.700 -0.467 0.000 1.052 344 T CA -1.926 60.042 62.100 -0.221 0.000 1.017 344 T CB 1.984 70.839 68.868 -0.021 0.000 1.137 344 T HN -0.313 nan 8.240 nan 0.000 0.511 345 P HA 0.161 nan 4.420 nan 0.000 0.242 345 P C -0.358 176.411 177.300 -0.885 0.000 1.197 345 P CA 0.181 62.545 63.100 -1.226 0.000 0.765 345 P CB -0.047 30.383 31.700 -2.115 0.000 0.936 346 D N 0.061 120.207 120.400 -0.423 0.000 2.383 346 D HA 0.019 4.660 4.640 0.001 0.000 0.252 346 D C 0.566 176.820 176.300 -0.077 0.000 1.166 346 D CA 0.619 54.608 54.000 -0.018 0.000 0.879 346 D CB 0.805 41.696 40.800 0.151 0.000 1.164 346 D HN -0.044 nan 8.370 nan 0.000 0.462 347 T N 1.835 116.375 114.554 -0.023 0.000 2.930 347 T HA 0.067 4.418 4.350 0.001 0.000 0.306 347 T C 1.766 176.452 174.700 -0.022 0.000 1.045 347 T CA -0.435 61.649 62.100 -0.027 0.000 1.134 347 T CB 0.425 69.293 68.868 0.001 0.000 0.961 347 T HN 0.272 nan 8.240 nan 0.000 0.545 348 L N 3.524 124.748 121.223 0.002 0.000 2.201 348 L HA -0.005 4.336 4.340 0.001 0.000 0.212 348 L C 2.838 179.698 176.870 -0.017 0.000 1.105 348 L CA 1.455 56.288 54.840 -0.012 0.000 0.775 348 L CB -0.568 41.505 42.059 0.024 0.000 0.913 348 L HN 0.852 nan 8.230 nan 0.000 0.440 349 T N -4.416 110.151 114.554 0.022 0.000 3.160 349 T HA -0.030 4.321 4.350 0.001 0.000 0.257 349 T C 0.624 175.320 174.700 -0.007 0.000 1.147 349 T CA -0.277 61.832 62.100 0.014 0.000 1.064 349 T CB -0.690 68.209 68.868 0.051 0.000 0.949 349 T HN 0.230 nan 8.240 nan 0.000 0.526 350 C N 3.329 122.615 119.300 -0.024 0.000 2.365 350 C HA 0.510 4.970 4.460 0.001 0.000 0.351 350 C C 1.249 176.190 174.990 -0.081 0.000 1.240 350 C CA -0.568 58.429 59.018 -0.034 0.000 2.062 350 C CB 0.769 28.503 27.740 -0.010 0.000 2.387 350 C HN 0.645 nan 8.230 nan 0.000 0.537 351 D N 2.139 122.500 120.400 -0.065 0.000 2.328 351 D HA 0.093 4.734 4.640 0.001 0.000 0.221 351 D C 0.343 176.584 176.300 -0.098 0.000 1.072 351 D CA 0.298 54.251 54.000 -0.079 0.000 0.850 351 D CB -0.041 40.733 40.800 -0.042 0.000 0.922 351 D HN 0.573 nan 8.370 nan 0.000 0.516 352 S N -1.483 114.149 115.700 -0.113 0.000 2.607 352 S HA 0.542 5.013 4.470 0.001 0.000 0.273 352 S C -1.065 173.462 174.600 -0.123 0.000 1.148 352 S CA -1.022 57.121 58.200 -0.094 0.000 0.833 352 S CB 0.896 64.099 63.200 0.004 0.000 1.130 352 S HN 0.022 nan 8.310 nan 0.000 0.470 353 Y N 1.097 121.440 120.300 0.071 0.000 2.310 353 Y HA 0.574 5.139 4.550 0.025 0.000 0.326 353 Y C 0.913 176.869 175.900 0.093 0.000 1.151 353 Y CA -0.428 57.740 58.100 0.114 0.000 1.195 353 Y CB 1.048 39.569 38.460 0.101 0.000 1.210 353 Y HN 0.440 nan 8.280 nan 0.000 0.483 354 K N 2.029 122.616 120.400 0.313 0.000 2.258 354 K HA 0.428 4.749 4.320 0.001 0.000 0.236 354 K C -0.925 175.633 176.600 -0.070 0.000 1.008 354 K CA -1.125 55.158 56.287 -0.005 0.000 0.869 354 K CB 1.834 34.165 32.500 -0.282 0.000 1.171 354 K HN 0.566 nan 8.250 nan 0.000 0.447 355 K N 0.801 121.055 120.400 -0.243 0.000 2.205 355 K HA 0.289 4.610 4.320 0.001 0.000 0.279 355 K C -0.862 175.508 176.600 -0.383 0.000 1.027 355 K CA -0.253 55.946 56.287 -0.147 0.000 0.932 355 K CB 0.712 33.166 32.500 -0.077 0.000 1.032 355 K HN 0.357 nan 8.250 nan 0.000 0.466 356 W N 1.783 123.160 121.300 0.127 0.000 2.936 356 W HA 0.375 5.027 4.660 -0.014 0.000 0.338 356 W C -0.425 176.201 176.519 0.178 0.000 1.121 356 W CA -0.733 56.717 57.345 0.176 0.000 1.209 356 W CB 1.457 31.050 29.460 0.221 0.000 1.420 356 W HN 0.264 nan 8.180 nan 0.000 0.516 357 K N 2.937 123.601 120.400 0.439 0.000 2.413 357 K HA 0.525 4.846 4.320 0.001 0.000 0.257 357 K C -1.522 175.228 176.600 0.250 0.000 0.946 357 K CA -0.879 55.576 56.287 0.281 0.000 0.823 357 K CB 1.339 33.940 32.500 0.168 0.000 1.109 357 K HN 0.521 nan 8.250 nan 0.000 0.427 358 L N 3.917 125.221 121.223 0.135 0.000 2.265 358 L HA 0.350 4.691 4.340 0.001 0.000 0.288 358 L C -0.956 175.864 176.870 -0.082 0.000 1.058 358 L CA 0.513 55.271 54.840 -0.137 0.000 0.809 358 L CB 1.315 43.269 42.059 -0.175 0.000 1.179 358 L HN 0.596 nan 8.230 nan 0.000 0.429 359 T N 5.412 119.889 114.554 -0.129 0.000 2.756 359 T HA 0.398 4.748 4.350 0.001 0.000 0.290 359 T C -0.228 174.404 174.700 -0.113 0.000 0.985 359 T CA -0.632 61.425 62.100 -0.070 0.000 0.955 359 T CB 0.627 69.480 68.868 -0.026 0.000 0.930 359 T HN 0.440 nan 8.240 nan 0.000 0.451 360 K N 3.871 124.231 120.400 -0.067 0.000 2.213 360 K HA 0.619 4.940 4.320 0.001 0.000 0.270 360 K C -0.532 176.039 176.600 -0.048 0.000 1.002 360 K CA -0.471 55.777 56.287 -0.065 0.000 0.868 360 K CB 1.405 33.889 32.500 -0.027 0.000 1.093 360 K HN 0.499 nan 8.250 nan 0.000 0.454 361 M N 1.809 121.351 119.600 -0.098 0.000 2.662 361 M HA 0.307 4.788 4.480 0.001 0.000 0.310 361 M C -0.777 175.426 176.300 -0.160 0.000 1.204 361 M CA -0.852 54.382 55.300 -0.109 0.000 0.891 361 M CB 2.062 34.515 32.600 -0.245 0.000 1.732 361 M HN 0.608 nan 8.290 nan 0.000 0.467 362 D N -0.056 120.255 120.400 -0.148 0.000 2.523 362 D HA 0.876 5.517 4.640 0.001 0.000 0.236 362 D C -0.870 175.165 176.300 -0.441 0.000 1.094 362 D CA -0.590 53.228 54.000 -0.302 0.000 0.942 362 D CB 1.863 42.514 40.800 -0.247 0.000 1.447 362 D HN 0.756 nan 8.370 nan 0.000 0.479 363 G N -0.610 107.528 108.800 -1.102 0.000 2.619 363 G HA2 0.444 4.404 3.960 0.001 0.000 0.305 363 G HA3 0.444 4.404 3.960 0.001 0.000 0.305 363 G C -1.794 172.214 174.900 -1.487 0.000 1.330 363 G CA -0.855 43.494 45.100 -1.253 0.000 0.789 363 G HN 0.699 nan 8.290 nan 0.000 0.487 364 N N -0.318 117.833 118.700 -0.915 0.000 2.369 364 N HA 0.237 4.977 4.740 0.001 0.000 0.287 364 N C -1.596 173.815 175.510 -0.166 0.000 1.067 364 N CA -0.499 52.259 53.050 -0.487 0.000 0.888 364 N CB 1.921 40.267 38.487 -0.234 0.000 1.616 364 N HN 0.480 nan 8.380 nan 0.000 0.482 365 W N 2.700 124.106 121.300 0.176 0.000 2.335 365 W HA 0.414 5.074 4.660 0.000 0.000 0.307 365 W C 0.409 176.953 176.519 0.042 0.000 1.117 365 W CA -0.553 56.859 57.345 0.111 0.000 1.228 365 W CB 0.996 30.507 29.460 0.085 0.000 1.240 365 W HN 0.482 nan 8.180 nan 0.000 0.468 366 R N 2.629 123.261 120.500 0.220 0.000 2.532 366 R HA 0.295 4.635 4.340 0.001 0.000 0.297 366 R C -0.147 176.214 176.300 0.101 0.000 0.984 366 R CA -0.937 55.242 56.100 0.133 0.000 0.884 366 R CB 1.165 31.515 30.300 0.083 0.000 1.182 366 R HN 0.489 nan 8.270 nan 0.000 0.442 367 R N 2.443 122.999 120.500 0.094 0.000 2.494 367 R HA 0.106 4.446 4.340 0.001 0.000 0.291 367 R C 0.427 176.760 176.300 0.055 0.000 0.953 367 R CA 2.292 58.444 56.100 0.087 0.000 1.098 367 R CB -0.002 30.340 30.300 0.070 0.000 0.911 367 R HN 0.959 nan 8.270 nan 0.000 0.407 368 G N 1.486 110.320 108.800 0.057 0.000 2.234 368 G HA2 -0.347 3.614 3.960 0.001 0.000 0.235 368 G HA3 -0.347 3.614 3.960 0.001 0.000 0.235 368 G C 0.371 175.275 174.900 0.006 0.000 0.997 368 G CA 0.515 45.628 45.100 0.021 0.000 0.623 368 G HN 0.795 nan 8.290 nan 0.000 0.514 369 S N -1.701 114.004 115.700 0.007 0.000 4.640 369 S HA 0.273 4.744 4.470 0.001 0.000 0.157 369 S C 1.789 176.362 174.600 -0.044 0.000 0.963 369 S CA 1.605 59.788 58.200 -0.027 0.000 1.235 369 S CB -0.220 62.974 63.200 -0.009 0.000 1.848 369 S HN 1.198 nan 8.310 nan 0.000 0.751 370 T N 0.344 114.911 114.554 0.020 0.000 3.107 370 T HA 0.546 4.897 4.350 0.001 0.000 0.249 370 T C 0.780 175.557 174.700 0.128 0.000 1.096 370 T CA 0.375 62.506 62.100 0.052 0.000 1.012 370 T CB -0.061 68.875 68.868 0.112 0.000 0.977 370 T HN 0.731 nan 8.240 nan 0.000 0.527 371 A N 1.289 124.153 122.820 0.073 0.000 3.091 371 A HA 0.661 4.982 4.320 0.001 0.000 0.264 371 A C 1.713 179.178 177.584 -0.199 0.000 1.673 371 A CA -0.210 51.825 52.037 -0.003 0.000 1.362 371 A CB -0.900 18.110 19.000 0.015 0.000 1.137 371 A HN 0.483 nan 8.150 nan 0.000 0.617 372 G N 0.394 109.064 108.800 -0.216 0.000 2.572 372 G HA2 0.403 4.364 3.960 0.001 0.000 0.216 372 G HA3 0.403 4.364 3.960 0.001 0.000 0.216 372 G C 1.043 175.781 174.900 -0.271 0.000 1.133 372 G CA 0.668 45.612 45.100 -0.260 0.000 0.791 372 G HN 1.821 nan 8.290 nan 0.000 0.538 373 G N -1.199 107.401 108.800 -0.333 0.000 2.855 373 G HA2 -0.055 3.906 3.960 0.001 0.000 0.352 373 G HA3 -0.055 3.906 3.960 0.001 0.000 0.352 373 G C 0.584 175.483 174.900 -0.003 0.000 1.415 373 G CA -0.050 44.874 45.100 -0.294 0.000 0.871 373 G HN 1.451 nan 8.290 nan 0.000 0.543 374 C N -1.216 118.068 119.300 -0.026 0.000 2.574 374 C HA 0.825 5.286 4.460 0.001 0.000 0.335 374 C C 2.164 177.010 174.990 -0.240 0.000 1.493 374 C CA 0.410 59.393 59.018 -0.057 0.000 2.217 374 C CB 1.073 28.470 27.740 -0.571 0.000 2.056 374 C HN 1.233 nan 8.230 nan 0.000 0.607 375 R N 1.076 121.107 120.500 -0.782 0.000 2.241 375 R HA -0.051 4.290 4.340 0.001 0.000 0.224 375 R C 1.598 177.535 176.300 -0.604 0.000 1.101 375 R CA 1.627 57.071 56.100 -1.092 0.000 0.995 375 R CB -1.174 28.523 30.300 -1.005 0.000 0.870 375 R HN 0.818 nan 8.270 nan 0.000 0.463 376 N N -0.510 117.825 118.700 -0.608 0.000 2.443 376 N HA -0.163 4.578 4.740 0.001 0.000 0.184 376 N C -0.358 174.673 175.510 -0.798 0.000 1.037 376 N CA 0.950 53.570 53.050 -0.716 0.000 0.896 376 N CB -0.044 37.859 38.487 -0.973 0.000 0.959 376 N HN 0.323 nan 8.380 nan 0.000 0.442 377 Y N 0.086 120.226 120.300 -0.268 0.000 2.726 377 Y HA 0.307 4.858 4.550 0.001 0.000 0.367 377 Y C -1.544 174.346 175.900 -0.016 0.000 1.038 377 Y CA -2.127 55.889 58.100 -0.141 0.000 1.174 377 Y CB 1.113 39.468 38.460 -0.175 0.000 1.265 377 Y HN 0.006 nan 8.280 nan 0.000 0.622 378 P HA -0.166 nan 4.420 nan 0.000 0.222 378 P C 0.497 178.000 177.300 0.337 0.000 1.147 378 P CA 1.396 64.606 63.100 0.185 0.000 0.790 378 P CB 0.429 32.180 31.700 0.085 0.000 0.780 379 N N -0.566 118.299 118.700 0.275 0.000 2.381 379 N HA -0.068 4.673 4.740 0.001 0.000 0.182 379 N C 1.306 177.064 175.510 0.412 0.000 1.025 379 N CA 1.661 54.916 53.050 0.341 0.000 0.888 379 N CB 0.039 38.664 38.487 0.229 0.000 0.965 379 N HN 0.333 nan 8.380 nan 0.000 0.438 380 T N -3.493 111.199 114.554 0.231 0.000 2.966 380 T HA 0.052 4.403 4.350 0.001 0.000 0.254 380 T C 1.387 176.015 174.700 -0.120 0.000 0.961 380 T CA -0.498 61.572 62.100 -0.050 0.000 0.915 380 T CB -0.503 68.303 68.868 -0.103 0.000 1.186 380 T HN 0.050 nan 8.240 nan 0.000 0.505 381 F N 3.317 123.231 119.950 -0.061 0.000 2.141 381 F HA -0.149 4.378 4.527 0.000 0.000 0.300 381 F C 2.005 177.720 175.800 -0.141 0.000 1.079 381 F CA 2.021 59.947 58.000 -0.125 0.000 1.264 381 F CB -0.410 38.511 39.000 -0.131 0.000 1.011 381 F HN 0.502 nan 8.300 nan 0.000 0.487 382 W N -1.071 120.169 121.300 -0.100 0.000 2.825 382 W HA -0.049 4.612 4.660 0.001 0.000 0.243 382 W C 1.250 177.825 176.519 0.093 0.000 1.293 382 W CA 0.325 57.666 57.345 -0.007 0.000 1.403 382 W CB -1.158 28.490 29.460 0.313 0.000 1.134 382 W HN 0.088 nan 8.180 nan 0.000 0.666 383 M N 1.281 120.481 119.600 -0.668 0.000 2.541 383 M HA 0.042 4.523 4.480 0.001 0.000 0.252 383 M C 0.347 176.468 176.300 -0.298 0.000 1.125 383 M CA 0.349 55.280 55.300 -0.616 0.000 1.091 383 M CB -1.218 30.939 32.600 -0.737 0.000 1.420 383 M HN -0.141 nan 8.290 nan 0.000 0.486 384 N N 1.742 120.258 118.700 -0.306 0.000 2.374 384 N HA 0.066 4.807 4.740 0.001 0.000 0.241 384 N C -2.389 172.909 175.510 -0.352 0.000 1.262 384 N CA -0.536 52.391 53.050 -0.205 0.000 0.880 384 N CB -0.048 38.285 38.487 -0.257 0.000 1.105 384 N HN 0.021 nan 8.380 nan 0.000 0.438 385 P HA 0.028 nan 4.420 nan 0.000 0.267 385 P C -0.619 176.250 177.300 -0.717 0.000 1.200 385 P CA 0.445 62.951 63.100 -0.991 0.000 0.772 385 P CB 0.548 32.064 31.700 -0.307 0.000 0.855 386 Q N 1.242 120.487 119.800 -0.926 0.000 2.377 386 Q HA 0.558 4.899 4.340 0.001 0.000 0.271 386 Q C -1.208 174.509 176.000 -0.472 0.000 1.077 386 Q CA -0.521 55.057 55.803 -0.376 0.000 0.820 386 Q CB 1.838 30.478 28.738 -0.163 0.000 1.347 386 Q HN 0.416 nan 8.270 nan 0.000 0.444 387 Y N 0.533 120.874 120.300 0.069 0.000 2.442 387 Y HA 0.384 4.935 4.550 0.002 0.000 0.344 387 Y C -0.809 175.128 175.900 0.061 0.000 0.976 387 Y CA -0.977 57.168 58.100 0.075 0.000 1.040 387 Y CB 1.455 39.945 38.460 0.050 0.000 1.228 387 Y HN 0.484 nan 8.280 nan 0.000 0.451 388 L N 4.742 126.072 121.223 0.178 0.000 2.331 388 L HA 0.512 4.853 4.340 0.001 0.000 0.278 388 L C -0.912 176.013 176.870 0.092 0.000 1.106 388 L CA 0.089 54.994 54.840 0.108 0.000 0.824 388 L CB 0.159 42.258 42.059 0.066 0.000 1.142 388 L HN 0.523 nan 8.230 nan 0.000 0.443 389 I N 5.663 126.274 120.570 0.067 0.000 2.382 389 I HA 0.333 4.503 4.170 0.001 0.000 0.285 389 I C -0.323 175.800 176.117 0.010 0.000 1.007 389 I CA -0.595 60.697 61.300 -0.012 0.000 1.142 389 I CB 1.184 39.100 38.000 -0.140 0.000 1.289 389 I HN 0.544 nan 8.210 nan 0.000 0.453 390 K N 6.615 127.008 120.400 -0.012 0.000 2.263 390 K HA 0.480 4.800 4.320 0.001 0.000 0.272 390 K C -1.356 175.239 176.600 -0.009 0.000 1.033 390 K CA -0.727 55.560 56.287 0.000 0.000 0.884 390 K CB 0.986 33.485 32.500 -0.003 0.000 1.107 390 K HN 0.347 nan 8.250 nan 0.000 0.460 391 L N 4.381 125.623 121.223 0.031 0.000 2.282 391 L HA 0.315 4.655 4.340 0.001 0.000 0.288 391 L C -0.097 176.803 176.870 0.050 0.000 1.033 391 L CA -0.225 54.638 54.840 0.038 0.000 0.807 391 L CB 1.395 43.511 42.059 0.095 0.000 1.209 391 L HN 0.588 nan 8.230 nan 0.000 0.423 392 E N 2.938 123.159 120.200 0.035 0.000 2.197 392 E HA 0.159 4.510 4.350 0.001 0.000 0.281 392 E C 0.608 177.225 176.600 0.029 0.000 0.995 392 E CA -0.320 56.094 56.400 0.024 0.000 0.808 392 E CB 1.428 31.134 29.700 0.009 0.000 1.093 392 E HN 0.509 nan 8.360 nan 0.000 0.394 393 E N 1.710 121.925 120.200 0.025 0.000 2.136 393 E HA -0.277 4.074 4.350 0.001 0.000 0.202 393 E C 0.977 177.586 176.600 0.014 0.000 1.019 393 E CA 1.746 58.160 56.400 0.024 0.000 0.819 393 E CB 0.222 29.932 29.700 0.016 0.000 0.739 393 E HN 0.402 nan 8.360 nan 0.000 0.458 394 E N 0.416 120.619 120.200 0.003 0.000 2.204 394 E HA -0.142 4.209 4.350 0.001 0.000 0.195 394 E C 1.087 177.678 176.600 -0.015 0.000 0.990 394 E CA 1.000 57.395 56.400 -0.008 0.000 0.821 394 E CB 0.077 29.767 29.700 -0.017 0.000 0.750 394 E HN 0.224 nan 8.360 nan 0.000 0.477 395 D N 0.571 120.965 120.400 -0.010 0.000 2.336 395 D HA -0.031 4.610 4.640 0.001 0.000 0.229 395 D C -0.040 176.252 176.300 -0.012 0.000 1.061 395 D CA 0.183 54.169 54.000 -0.022 0.000 0.875 395 D CB -0.164 40.628 40.800 -0.013 0.000 0.904 395 D HN 0.154 nan 8.370 nan 0.000 0.525 396 E N 2.057 122.260 120.200 0.005 0.000 2.465 396 E HA -0.003 4.348 4.350 0.001 0.000 0.260 396 E C -0.067 176.535 176.600 0.004 0.000 0.980 396 E CA 0.282 56.694 56.400 0.019 0.000 0.927 396 E CB 0.452 30.166 29.700 0.023 0.000 0.934 396 E HN 0.182 nan 8.360 nan 0.000 0.459 397 D N 2.388 122.795 120.400 0.012 0.000 2.477 397 D HA 0.201 4.842 4.640 0.001 0.000 0.234 397 D C -0.777 175.535 176.300 0.020 0.000 1.048 397 D CA -0.692 53.311 54.000 0.004 0.000 0.959 397 D CB 1.477 42.269 40.800 -0.014 0.000 1.408 397 D HN 0.416 nan 8.370 nan 0.000 0.496 398 D N -0.752 119.657 120.400 0.016 0.000 2.891 398 D HA 0.097 4.738 4.640 0.001 0.000 0.332 398 D C -0.272 176.040 176.300 0.020 0.000 1.369 398 D CA -0.466 53.547 54.000 0.022 0.000 0.827 398 D CB 0.313 41.126 40.800 0.021 0.000 1.141 398 D HN 0.165 nan 8.370 nan 0.000 0.464 399 E N 1.243 121.456 120.200 0.021 0.000 2.418 399 E HA 0.002 4.353 4.350 0.001 0.000 0.261 399 E C 0.610 177.224 176.600 0.024 0.000 1.070 399 E CA 0.321 56.734 56.400 0.022 0.000 0.931 399 E CB 0.425 30.141 29.700 0.026 0.000 0.954 399 E HN 0.213 nan 8.360 nan 0.000 0.439 400 D N 0.475 120.888 120.400 0.021 0.000 3.028 400 D HA -0.243 4.398 4.640 0.001 0.000 0.211 400 D C 0.902 177.215 176.300 0.020 0.000 1.136 400 D CA 1.411 55.423 54.000 0.020 0.000 0.987 400 D CB -1.280 39.533 40.800 0.021 0.000 1.128 400 D HN 0.834 nan 8.370 nan 0.000 0.406 401 G N 0.601 109.413 108.800 0.021 0.000 2.143 401 G HA2 -0.326 3.635 3.960 0.001 0.000 0.248 401 G HA3 -0.326 3.635 3.960 0.001 0.000 0.248 401 G C -0.143 174.772 174.900 0.025 0.000 0.991 401 G CA 0.708 45.821 45.100 0.021 0.000 0.689 401 G HN 0.502 nan 8.290 nan 0.000 0.522 402 E N -0.481 119.737 120.200 0.029 0.000 2.166 402 E HA 0.531 4.882 4.350 0.001 0.000 0.275 402 E C 0.231 176.856 176.600 0.041 0.000 0.941 402 E CA -0.877 55.544 56.400 0.036 0.000 0.784 402 E CB 1.381 31.105 29.700 0.040 0.000 1.115 402 E HN 0.294 nan 8.360 nan 0.000 0.399 403 R N 1.884 122.410 120.500 0.044 0.000 2.229 403 R HA 0.607 4.948 4.340 0.001 0.000 0.328 403 R C -0.389 175.949 176.300 0.064 0.000 1.009 403 R CA -0.004 56.124 56.100 0.047 0.000 0.864 403 R CB 0.760 31.084 30.300 0.040 0.000 1.085 403 R HN 0.688 nan 8.270 nan 0.000 0.453 404 G N 1.811 110.654 108.800 0.071 0.000 2.320 404 G HA2 0.142 4.103 3.960 0.001 0.000 0.296 404 G HA3 0.142 4.103 3.960 0.001 0.000 0.296 404 G C -1.527 173.438 174.900 0.108 0.000 1.306 404 G CA -0.792 44.367 45.100 0.098 0.000 0.836 404 G HN 0.630 nan 8.290 nan 0.000 0.517 405 C N 1.120 120.511 119.300 0.152 0.000 2.325 405 C HA 0.673 5.134 4.460 0.001 0.000 0.347 405 C C 0.885 176.048 174.990 0.288 0.000 1.263 405 C CA -0.269 58.856 59.018 0.178 0.000 1.806 405 C CB -0.212 27.631 27.740 0.171 0.000 2.405 405 C HN 0.667 nan 8.230 nan 0.000 0.537 406 T N 5.040 119.731 114.554 0.227 0.000 2.832 406 T HA 0.570 4.921 4.350 0.001 0.000 0.296 406 T C -0.423 174.564 174.700 0.477 0.000 0.968 406 T CA 0.203 62.468 62.100 0.274 0.000 1.107 406 T CB 0.117 69.089 68.868 0.174 0.000 0.916 406 T HN 0.617 nan 8.240 nan 0.000 0.517 407 F N 1.500 121.637 119.950 0.311 0.000 2.645 407 F HA 0.812 5.341 4.527 0.004 0.000 0.310 407 F C -2.302 173.741 175.800 0.405 0.000 1.102 407 F CA -1.879 56.353 58.000 0.387 0.000 0.952 407 F CB 0.754 39.910 39.000 0.259 0.000 1.326 407 F HN 0.204 nan 8.300 nan 0.000 0.456 408 L N 2.621 124.115 121.223 0.451 0.000 2.346 408 L HA 0.781 5.122 4.340 0.001 0.000 0.276 408 L C -0.769 176.338 176.870 0.394 0.000 1.006 408 L CA -0.900 54.114 54.840 0.291 0.000 0.817 408 L CB 2.032 44.201 42.059 0.184 0.000 1.272 408 L HN 0.634 nan 8.230 nan 0.000 0.421 409 V N 1.482 121.596 119.914 0.333 0.000 2.444 409 V HA 0.765 4.886 4.120 0.001 0.000 0.294 409 V C 0.283 176.412 176.094 0.058 0.000 1.022 409 V CA -0.604 61.770 62.300 0.123 0.000 0.850 409 V CB 1.581 33.318 31.823 -0.143 0.000 0.992 409 V HN 0.825 nan 8.190 nan 0.000 0.426 410 G N 4.377 113.193 108.800 0.025 0.000 2.588 410 G HA2 0.568 4.529 3.960 0.001 0.000 0.312 410 G HA3 0.568 4.529 3.960 0.001 0.000 0.312 410 G C -1.153 173.743 174.900 -0.007 0.000 1.257 410 G CA -0.486 44.646 45.100 0.053 0.000 0.994 410 G HN 0.601 nan 8.290 nan 0.000 0.498 411 L N 4.191 125.415 121.223 0.001 0.000 2.260 411 L HA 0.679 5.020 4.340 0.001 0.000 0.289 411 L C -0.391 176.530 176.870 0.084 0.000 1.057 411 L CA -0.880 53.960 54.840 -0.001 0.000 0.811 411 L CB 0.903 42.980 42.059 0.030 0.000 1.184 411 L HN 0.455 nan 8.230 nan 0.000 0.429 412 I N 5.551 126.185 120.570 0.105 0.000 2.389 412 I HA 0.354 4.525 4.170 0.001 0.000 0.288 412 I C -0.408 175.778 176.117 0.115 0.000 0.999 412 I CA -0.504 60.885 61.300 0.148 0.000 1.129 412 I CB 1.236 39.381 38.000 0.241 0.000 1.288 412 I HN 0.822 nan 8.210 nan 0.000 0.444 413 Q N 7.000 126.875 119.800 0.126 0.000 2.293 413 Q HA 0.423 4.763 4.340 0.001 0.000 0.251 413 Q C -1.393 174.528 176.000 -0.131 0.000 0.930 413 Q CA -0.670 55.189 55.803 0.093 0.000 0.893 413 Q CB 1.544 30.427 28.738 0.242 0.000 1.215 413 Q HN 0.532 nan 8.270 nan 0.000 0.425 414 K N 1.326 121.501 120.400 -0.375 0.000 2.207 414 K HA 0.301 4.622 4.320 0.001 0.000 0.255 414 K C -1.038 175.228 176.600 -0.557 0.000 0.941 414 K CA -0.902 54.786 56.287 -0.997 0.000 0.825 414 K CB 1.108 32.698 32.500 -1.516 0.000 1.119 414 K HN 0.815 nan 8.250 nan 0.000 0.430 415 H N -0.317 118.647 119.070 -0.177 0.000 2.791 415 H HA -0.171 4.386 4.556 0.002 0.000 0.302 415 H C 0.924 176.236 175.328 -0.026 0.000 1.198 415 H CA 0.096 56.119 56.048 -0.042 0.000 1.145 415 H CB -0.958 28.764 29.762 -0.066 0.000 1.385 415 H HN 0.452 nan 8.280 nan 0.000 0.409 416 R N 0.792 121.322 120.500 0.050 0.000 2.200 416 R HA 0.135 4.475 4.340 0.001 0.000 0.208 416 R C 2.030 178.331 176.300 0.001 0.000 1.033 416 R CA 0.951 57.051 56.100 0.001 0.000 1.000 416 R CB 0.128 30.408 30.300 -0.035 0.000 0.906 416 R HN 0.408 nan 8.270 nan 0.000 0.462 417 R N -0.500 120.022 120.500 0.036 0.000 2.148 417 R HA 0.011 4.352 4.340 0.001 0.000 0.223 417 R C 1.851 178.169 176.300 0.030 0.000 1.088 417 R CA 0.986 57.114 56.100 0.046 0.000 0.985 417 R CB -0.072 30.280 30.300 0.086 0.000 0.880 417 R HN 0.135 nan 8.270 nan 0.000 0.451 418 R N 0.317 120.835 120.500 0.031 0.000 2.237 418 R HA -0.095 4.246 4.340 0.001 0.000 0.219 418 R C 1.507 177.776 176.300 -0.053 0.000 1.080 418 R CA 0.820 56.924 56.100 0.007 0.000 0.995 418 R CB 0.032 30.348 30.300 0.027 0.000 0.875 418 R HN 0.096 nan 8.270 nan 0.000 0.462 419 Q N -0.067 119.702 119.800 -0.052 0.000 2.451 419 Q HA 0.061 4.402 4.340 0.001 0.000 0.206 419 Q C 1.623 177.538 176.000 -0.143 0.000 0.947 419 Q CA 0.535 56.291 55.803 -0.078 0.000 0.937 419 Q CB 0.083 28.792 28.738 -0.049 0.000 1.025 419 Q HN 0.100 nan 8.270 nan 0.000 0.511 420 R N 0.401 120.788 120.500 -0.188 0.000 2.105 420 R HA -0.119 4.222 4.340 0.001 0.000 0.239 420 R C 1.663 177.603 176.300 -0.600 0.000 1.135 420 R CA 1.134 57.075 56.100 -0.265 0.000 0.967 420 R CB -0.155 30.066 30.300 -0.131 0.000 0.861 420 R HN 0.302 nan 8.270 nan 0.000 0.442 421 K N -0.046 119.855 120.400 -0.832 0.000 2.103 421 K HA -0.050 4.270 4.320 0.001 0.000 0.207 421 K C 1.770 178.206 176.600 -0.273 0.000 1.048 421 K CA 1.180 57.017 56.287 -0.751 0.000 0.930 421 K CB -0.045 32.188 32.500 -0.445 0.000 0.716 421 K HN 0.020 nan 8.250 nan 0.000 0.444 422 M N -0.532 118.961 119.600 -0.179 0.000 2.659 422 M HA 0.118 4.599 4.480 0.001 0.000 0.243 422 M C 1.024 177.301 176.300 -0.038 0.000 1.111 422 M CA 0.703 55.961 55.300 -0.071 0.000 1.070 422 M CB -0.712 31.861 32.600 -0.045 0.000 1.525 422 M HN 0.404 nan 8.290 nan 0.000 0.517 423 G N 1.062 109.831 108.800 -0.051 0.000 2.179 423 G HA2 -0.213 3.748 3.960 0.001 0.000 0.257 423 G HA3 -0.213 3.748 3.960 0.001 0.000 0.257 423 G C -0.095 174.805 174.900 -0.001 0.000 1.010 423 G CA 0.093 45.196 45.100 0.005 0.000 0.736 423 G HN 0.494 nan 8.290 nan 0.000 0.513 424 E N 0.095 120.276 120.200 -0.031 0.000 2.191 424 E HA 0.515 4.866 4.350 0.001 0.000 0.278 424 E C 0.016 176.578 176.600 -0.063 0.000 0.972 424 E CA -0.555 55.821 56.400 -0.039 0.000 0.804 424 E CB 1.984 31.659 29.700 -0.041 0.000 1.110 424 E HN 0.293 nan 8.360 nan 0.000 0.394 425 D N 0.853 121.204 120.400 -0.082 0.000 2.726 425 D HA 0.268 4.909 4.640 0.001 0.000 0.241 425 D C -0.231 175.967 176.300 -0.170 0.000 1.150 425 D CA -0.568 53.381 54.000 -0.085 0.000 1.089 425 D CB 0.778 41.556 40.800 -0.037 0.000 1.260 425 D HN 0.142 nan 8.370 nan 0.000 0.637 426 M N 0.951 120.479 119.600 -0.119 0.000 2.248 426 M HA 0.129 4.609 4.480 0.001 0.000 0.345 426 M C -0.133 176.100 176.300 -0.111 0.000 1.243 426 M CA 0.464 55.695 55.300 -0.115 0.000 1.090 426 M CB -0.332 32.240 32.600 -0.046 0.000 1.683 426 M HN 0.364 nan 8.290 nan 0.000 0.450 427 H N 0.275 119.370 119.070 0.043 0.000 2.615 427 H HA 0.163 4.719 4.556 0.001 0.000 0.363 427 H C 0.137 175.474 175.328 0.015 0.000 1.148 427 H CA -0.029 56.034 56.048 0.025 0.000 1.401 427 H CB 0.617 30.387 29.762 0.013 0.000 1.461 427 H HN 0.522 nan 8.280 nan 0.000 0.588 428 T N 4.280 118.930 114.554 0.160 0.000 2.751 428 T HA 0.257 4.607 4.350 0.001 0.000 0.290 428 T C 0.384 175.169 174.700 0.142 0.000 0.919 428 T CA -0.177 61.990 62.100 0.112 0.000 1.136 428 T CB -0.823 68.083 68.868 0.064 0.000 0.875 428 T HN 0.383 nan 8.240 nan 0.000 0.532 429 I N 0.075 120.669 120.570 0.041 0.000 2.957 429 I HA 1.026 5.197 4.170 0.001 0.000 0.310 429 I C 0.302 176.105 176.117 -0.524 0.000 1.063 429 I CA -1.087 60.149 61.300 -0.107 0.000 1.033 429 I CB 2.383 40.388 38.000 0.008 0.000 1.230 429 I HN 0.678 nan 8.210 nan 0.000 0.447 430 G N 1.888 110.144 108.800 -0.906 0.000 2.340 430 G HA2 0.590 4.551 3.960 0.001 0.000 0.299 430 G HA3 0.590 4.551 3.960 0.001 0.000 0.299 430 G C -1.743 172.718 174.900 -0.731 0.000 1.291 430 G CA -0.523 43.649 45.100 -1.546 0.000 0.841 430 G HN 1.149 nan 8.290 nan 0.000 0.500 431 F N -2.021 117.681 119.950 -0.414 0.000 2.719 431 F HA 0.827 5.353 4.527 -0.001 0.000 0.309 431 F C -0.069 175.874 175.800 0.240 0.000 1.138 431 F CA -0.696 57.343 58.000 0.065 0.000 0.943 431 F CB 1.323 40.335 39.000 0.019 0.000 1.304 431 F HN 1.042 nan 8.300 nan 0.000 0.445 432 G N 1.238 110.362 108.800 0.539 0.000 2.481 432 G HA2 0.742 4.703 3.960 0.001 0.000 0.315 432 G HA3 0.742 4.703 3.960 0.001 0.000 0.315 432 G C -1.780 173.356 174.900 0.392 0.000 1.231 432 G CA -1.158 44.175 45.100 0.387 0.000 0.968 432 G HN 0.784 nan 8.290 nan 0.000 0.482 433 I N 0.559 121.201 120.570 0.119 0.000 2.436 433 I HA 0.387 4.558 4.170 0.001 0.000 0.289 433 I C -1.222 174.908 176.117 0.022 0.000 1.010 433 I CA -0.738 60.651 61.300 0.149 0.000 1.098 433 I CB 1.911 39.917 38.000 0.009 0.000 1.266 433 I HN 0.375 nan 8.210 nan 0.000 0.434 434 Y N 3.396 123.911 120.300 0.358 0.000 2.446 434 Y HA 0.370 4.921 4.550 0.003 0.000 0.345 434 Y C 0.101 176.242 175.900 0.402 0.000 0.984 434 Y CA -0.959 57.386 58.100 0.407 0.000 1.058 434 Y CB 1.651 40.412 38.460 0.503 0.000 1.220 434 Y HN 0.475 nan 8.280 nan 0.000 0.455 435 E N 1.955 122.452 120.200 0.494 0.000 2.360 435 E HA 0.251 4.601 4.350 0.001 0.000 0.269 435 E C -0.618 176.082 176.600 0.168 0.000 1.022 435 E CA -0.581 55.948 56.400 0.216 0.000 0.887 435 E CB 1.640 31.440 29.700 0.167 0.000 0.990 435 E HN 0.421 nan 8.360 nan 0.000 0.426 436 V N 2.261 122.152 119.914 -0.038 0.000 2.461 436 V HA 0.239 4.360 4.120 0.001 0.000 0.275 436 V C -2.233 173.846 176.094 -0.026 0.000 1.047 436 V CA -2.038 60.221 62.300 -0.068 0.000 0.955 436 V CB 0.468 32.215 31.823 -0.127 0.000 0.988 436 V HN 0.492 nan 8.190 nan 0.000 0.471 437 P HA -0.011 nan 4.420 nan 0.000 0.264 437 P C 0.782 178.077 177.300 -0.009 0.000 1.173 437 P CA 0.440 63.567 63.100 0.046 0.000 0.761 437 P CB 0.481 32.221 31.700 0.066 0.000 0.794 438 E N 1.792 121.989 120.200 -0.004 0.000 2.118 438 E HA -0.231 4.120 4.350 0.001 0.000 0.195 438 E C 1.686 178.274 176.600 -0.021 0.000 0.992 438 E CA 1.224 57.613 56.400 -0.018 0.000 0.804 438 E CB 0.047 29.741 29.700 -0.009 0.000 0.741 438 E HN 0.637 nan 8.360 nan 0.000 0.458 439 E N 0.893 121.084 120.200 -0.015 0.000 2.274 439 E HA -0.169 4.181 4.350 0.001 0.000 0.194 439 E C 1.760 178.343 176.600 -0.028 0.000 0.996 439 E CA 0.789 57.179 56.400 -0.018 0.000 0.840 439 E CB -0.070 29.623 29.700 -0.012 0.000 0.772 439 E HN 0.224 nan 8.360 nan 0.000 0.491 440 L N 1.500 122.701 121.223 -0.038 0.000 2.509 440 L HA 0.127 4.467 4.340 0.001 0.000 0.222 440 L C 0.877 177.714 176.870 -0.055 0.000 1.123 440 L CA 0.533 55.341 54.840 -0.053 0.000 0.856 440 L CB -0.249 41.761 42.059 -0.081 0.000 0.985 440 L HN -0.117 nan 8.230 nan 0.000 0.456 441 T N 0.178 114.701 114.554 -0.052 0.000 2.937 441 T HA 0.297 4.647 4.350 0.001 0.000 0.316 441 T C 1.083 175.757 174.700 -0.044 0.000 1.079 441 T CA 0.806 62.873 62.100 -0.055 0.000 1.131 441 T CB 0.231 69.066 68.868 -0.054 0.000 1.000 441 T HN 0.553 nan 8.240 nan 0.000 0.549 442 G N 2.479 111.253 108.800 -0.043 0.000 2.323 442 G HA2 -0.247 3.714 3.960 0.001 0.000 0.292 442 G HA3 -0.247 3.714 3.960 0.001 0.000 0.292 442 G C -0.059 174.824 174.900 -0.028 0.000 1.040 442 G CA 0.645 45.725 45.100 -0.032 0.000 0.942 442 G HN 0.850 nan 8.290 nan 0.000 0.506 443 Q N 0.217 119.998 119.800 -0.031 0.000 3.258 443 Q HA 0.351 4.691 4.340 0.001 0.000 0.214 443 Q C 0.196 176.180 176.000 -0.027 0.000 0.873 443 Q CA -0.269 55.517 55.803 -0.028 0.000 0.752 443 Q CB 0.522 29.241 28.738 -0.032 0.000 1.396 443 Q HN 0.317 nan 8.270 nan 0.000 0.463 444 T N 1.894 116.437 114.554 -0.019 0.000 2.788 444 T HA 0.165 4.516 4.350 0.001 0.000 0.287 444 T C 0.899 175.590 174.700 -0.014 0.000 1.007 444 T CA 0.503 62.595 62.100 -0.013 0.000 1.005 444 T CB 0.633 69.499 68.868 -0.002 0.000 1.012 444 T HN 0.913 nan 8.240 nan 0.000 0.530 445 N N -0.567 118.126 118.700 -0.012 0.000 2.940 445 N HA -0.205 4.536 4.740 0.001 0.000 0.188 445 N C 0.062 175.569 175.510 -0.004 0.000 1.042 445 N CA 0.958 53.995 53.050 -0.021 0.000 1.014 445 N CB -2.177 36.296 38.487 -0.024 0.000 0.981 445 N HN 0.782 nan 8.380 nan 0.000 0.565 446 I N 0.351 120.920 120.570 -0.002 0.000 2.813 446 I HA 0.373 4.544 4.170 0.001 0.000 0.287 446 I C 0.431 176.589 176.117 0.068 0.000 1.196 446 I CA 0.090 61.390 61.300 0.000 0.000 1.421 446 I CB 0.228 38.194 38.000 -0.056 0.000 1.365 446 I HN 0.293 nan 8.210 nan 0.000 0.591 447 H N 5.343 124.393 119.070 -0.033 0.000 2.609 447 H HA 0.576 5.133 4.556 0.002 0.000 0.344 447 H C -1.112 174.167 175.328 -0.083 0.000 1.040 447 H CA -0.747 55.311 56.048 0.017 0.000 1.216 447 H CB 1.324 31.157 29.762 0.118 0.000 1.529 447 H HN 0.674 nan 8.280 nan 0.000 0.519 448 L N 4.503 125.421 121.223 -0.509 0.000 2.360 448 L HA 0.205 4.546 4.340 0.001 0.000 0.276 448 L C 0.708 177.328 176.870 -0.416 0.000 1.121 448 L CA -0.435 53.998 54.840 -0.679 0.000 0.845 448 L CB 0.755 42.092 42.059 -1.203 0.000 1.143 448 L HN 0.716 nan 8.230 nan 0.000 0.452 449 S N 2.578 118.125 115.700 -0.255 0.000 2.634 449 S HA 0.107 4.578 4.470 0.001 0.000 0.261 449 S C 1.017 175.602 174.600 -0.025 0.000 1.271 449 S CA -0.560 57.590 58.200 -0.083 0.000 0.985 449 S CB 1.295 64.419 63.200 -0.127 0.000 0.968 449 S HN 0.735 nan 8.310 nan 0.000 0.568 450 K N 0.839 121.116 120.400 -0.205 0.000 2.044 450 K HA -0.208 4.112 4.320 0.001 0.000 0.210 450 K C 1.508 178.123 176.600 0.025 0.000 1.049 450 K CA 1.970 58.188 56.287 -0.115 0.000 0.927 450 K CB -0.489 31.620 32.500 -0.651 0.000 0.713 450 K HN 0.622 nan 8.250 nan 0.000 0.443 451 N N 0.227 118.881 118.700 -0.076 0.000 2.309 451 N HA -0.146 4.594 4.740 0.001 0.000 0.182 451 N C 1.454 176.948 175.510 -0.027 0.000 1.018 451 N CA 0.901 53.926 53.050 -0.041 0.000 0.876 451 N CB -0.385 38.064 38.487 -0.064 0.000 0.972 451 N HN 0.229 nan 8.380 nan 0.000 0.434 452 F N 0.543 120.373 119.950 -0.201 0.000 2.095 452 F HA -0.135 4.393 4.527 0.000 0.000 0.298 452 F C 1.752 177.404 175.800 -0.247 0.000 1.104 452 F CA 1.443 59.270 58.000 -0.289 0.000 1.232 452 F CB -0.365 38.337 39.000 -0.498 0.000 0.987 452 F HN -0.067 nan 8.300 nan 0.000 0.475 453 F N 0.101 120.158 119.950 0.179 0.000 2.234 453 F HA -0.137 4.390 4.527 0.001 0.000 0.299 453 F C 2.131 177.940 175.800 0.014 0.000 1.087 453 F CA 0.663 58.735 58.000 0.120 0.000 1.340 453 F CB -0.523 38.651 39.000 0.289 0.000 1.031 453 F HN -0.065 nan 8.300 nan 0.000 0.500 454 L N -0.202 121.109 121.223 0.146 0.000 2.275 454 L HA -0.143 4.197 4.340 0.001 0.000 0.215 454 L C 2.041 178.900 176.870 -0.019 0.000 1.119 454 L CA 1.698 56.570 54.840 0.053 0.000 0.790 454 L CB -0.785 41.292 42.059 0.030 0.000 0.919 454 L HN 0.301 nan 8.230 nan 0.000 0.443 455 T N -6.555 107.945 114.554 -0.090 0.000 3.040 455 T HA 0.080 4.431 4.350 0.001 0.000 0.266 455 T C 0.594 175.181 174.700 -0.189 0.000 1.005 455 T CA 0.057 62.078 62.100 -0.131 0.000 0.906 455 T CB 0.356 69.139 68.868 -0.143 0.000 1.082 455 T HN 0.136 nan 8.240 nan 0.000 0.531 456 T N 0.909 115.320 114.554 -0.239 0.000 2.971 456 T HA 0.554 4.904 4.350 0.001 0.000 0.304 456 T C -0.976 173.752 174.700 0.047 0.000 1.038 456 T CA -0.854 61.113 62.100 -0.221 0.000 1.007 456 T CB 1.762 70.285 68.868 -0.576 0.000 1.055 456 T HN 0.230 nan 8.240 nan 0.000 0.451 457 R N 2.084 122.628 120.500 0.073 0.000 2.560 457 R HA 0.683 5.024 4.340 0.001 0.000 0.270 457 R C 0.570 176.915 176.300 0.074 0.000 1.074 457 R CA -0.591 55.575 56.100 0.109 0.000 1.140 457 R CB 0.754 31.068 30.300 0.022 0.000 1.073 457 R HN 0.837 nan 8.270 nan 0.000 0.527 458 A N 1.566 124.282 122.820 -0.173 0.000 2.477 458 A HA 0.021 4.342 4.320 0.001 0.000 0.246 458 A C 1.129 178.577 177.584 -0.228 0.000 1.078 458 A CA -0.117 51.531 52.037 -0.648 0.000 0.770 458 A CB 0.514 19.134 19.000 -0.633 0.000 1.011 458 A HN 0.827 nan 8.150 nan 0.000 0.494 459 R N 0.684 121.096 120.500 -0.146 0.000 2.090 459 R HA 0.030 4.370 4.340 0.001 0.000 0.228 459 R C 0.168 176.459 176.300 -0.014 0.000 1.110 459 R CA 1.709 57.812 56.100 0.005 0.000 0.973 459 R CB 0.152 30.531 30.300 0.133 0.000 0.869 459 R HN 0.753 nan 8.270 nan 0.000 0.440 460 E N -0.428 119.734 120.200 -0.064 0.000 2.393 460 E HA 0.449 4.799 4.350 0.001 0.000 0.273 460 E C -0.974 175.609 176.600 -0.027 0.000 0.918 460 E CA -0.790 55.598 56.400 -0.019 0.000 0.773 460 E CB 2.136 31.782 29.700 -0.090 0.000 1.275 460 E HN 0.126 nan 8.360 nan 0.000 0.451 461 R N -0.380 120.163 120.500 0.072 0.000 2.817 461 R HA 0.417 4.758 4.340 0.001 0.000 0.268 461 R C -0.401 175.921 176.300 0.037 0.000 1.027 461 R CA -0.768 55.353 56.100 0.036 0.000 0.928 461 R CB 1.742 32.067 30.300 0.041 0.000 1.228 461 R HN 0.663 nan 8.270 nan 0.000 0.469 462 S N 0.165 115.614 115.700 -0.418 0.000 2.568 462 S HA -0.060 4.411 4.470 0.001 0.000 0.282 462 S C 1.018 175.501 174.600 -0.195 0.000 1.338 462 S CA -0.249 57.611 58.200 -0.568 0.000 1.045 462 S CB 0.666 63.128 63.200 -1.229 0.000 0.873 462 S HN 0.774 nan 8.310 nan 0.000 0.516 463 D N 0.705 121.006 120.400 -0.165 0.000 2.182 463 D HA -0.121 4.520 4.640 0.001 0.000 0.201 463 D C 0.759 177.029 176.300 -0.050 0.000 0.986 463 D CA 1.556 55.496 54.000 -0.099 0.000 0.847 463 D CB -0.208 40.515 40.800 -0.127 0.000 0.942 463 D HN 0.567 nan 8.370 nan 0.000 0.467 464 T N -1.971 112.546 114.554 -0.062 0.000 2.711 464 T HA 0.466 4.816 4.350 0.001 0.000 0.302 464 T C -2.023 172.729 174.700 0.088 0.000 1.373 464 T CA -0.801 61.327 62.100 0.046 0.000 1.000 464 T CB 0.841 69.721 68.868 0.019 0.000 1.483 464 T HN -0.041 nan 8.240 nan 0.000 0.499 465 F N 1.899 121.821 119.950 -0.048 0.000 2.427 465 F HA 0.798 5.326 4.527 0.001 0.000 0.346 465 F C 0.143 175.908 175.800 -0.058 0.000 1.120 465 F CA -0.630 57.363 58.000 -0.012 0.000 1.033 465 F CB 1.462 40.542 39.000 0.133 0.000 1.126 465 F HN 0.394 nan 8.300 nan 0.000 0.462 466 I N 3.678 124.267 120.570 0.031 0.000 2.918 466 I HA 0.239 4.410 4.170 0.001 0.000 0.301 466 I C -1.115 174.999 176.117 -0.006 0.000 1.312 466 I CA -0.873 60.423 61.300 -0.006 0.000 1.007 466 I CB 2.015 40.001 38.000 -0.023 0.000 1.281 466 I HN 0.561 nan 8.210 nan 0.000 0.440 467 N N 7.475 126.174 118.700 -0.002 0.000 3.259 467 N HA 0.197 4.938 4.740 0.001 0.000 0.308 467 N C -1.279 174.232 175.510 0.001 0.000 1.334 467 N CA -0.107 52.948 53.050 0.009 0.000 1.202 467 N CB -0.269 38.221 38.487 0.004 0.000 1.485 467 N HN 0.471 nan 8.380 nan 0.000 0.549 468 L N 0.035 121.256 121.223 -0.004 0.000 2.344 468 L HA 0.403 4.744 4.340 0.001 0.000 0.272 468 L C 1.884 178.755 176.870 0.003 0.000 1.035 468 L CA -0.958 53.878 54.840 -0.006 0.000 0.807 468 L CB 1.887 43.921 42.059 -0.042 0.000 1.237 468 L HN 0.177 nan 8.230 nan 0.000 0.442 469 R N 0.812 121.314 120.500 0.003 0.000 2.091 469 R HA -0.097 4.244 4.340 0.001 0.000 0.238 469 R C 0.355 176.696 176.300 0.069 0.000 1.136 469 R CA 1.389 57.514 56.100 0.041 0.000 0.959 469 R CB 0.276 30.602 30.300 0.044 0.000 0.856 469 R HN 0.668 nan 8.270 nan 0.000 0.437 470 E N -0.193 120.025 120.200 0.028 0.000 2.248 470 E HA 0.246 4.597 4.350 0.001 0.000 0.267 470 E C -1.703 174.855 176.600 -0.070 0.000 0.877 470 E CA -0.644 55.768 56.400 0.020 0.000 0.759 470 E CB 2.199 31.924 29.700 0.041 0.000 1.182 470 E HN -0.078 nan 8.360 nan 0.000 0.418 471 V N 5.678 125.583 119.914 -0.015 0.000 2.334 471 V HA 0.307 4.428 4.120 0.001 0.000 0.281 471 V C -0.579 175.563 176.094 0.080 0.000 1.016 471 V CA -0.779 61.496 62.300 -0.041 0.000 0.832 471 V CB 1.253 33.053 31.823 -0.039 0.000 0.999 471 V HN 0.562 nan 8.190 nan 0.000 0.439 472 L N 6.264 127.450 121.223 -0.062 0.000 2.333 472 L HA 0.654 4.995 4.340 0.001 0.000 0.280 472 L C -0.662 176.167 176.870 -0.067 0.000 1.004 472 L CA 0.133 54.965 54.840 -0.014 0.000 0.820 472 L CB 1.419 43.414 42.059 -0.108 0.000 1.247 472 L HN 0.690 nan 8.230 nan 0.000 0.416 473 N N 4.017 122.740 118.700 0.039 0.000 2.262 473 N HA 0.547 5.288 4.740 0.001 0.000 0.295 473 N C -1.170 174.100 175.510 -0.400 0.000 1.161 473 N CA -0.875 52.025 53.050 -0.250 0.000 0.767 473 N CB 2.490 40.767 38.487 -0.349 0.000 1.499 473 N HN 0.490 nan 8.380 nan 0.000 0.476 474 R N 1.275 121.408 120.500 -0.612 0.000 2.393 474 R HA 0.535 4.876 4.340 0.001 0.000 0.310 474 R C -1.194 174.633 176.300 -0.788 0.000 0.968 474 R CA -0.315 55.496 56.100 -0.482 0.000 0.867 474 R CB 1.108 31.247 30.300 -0.268 0.000 1.124 474 R HN 0.386 nan 8.270 nan 0.000 0.450 475 F N 0.652 120.371 119.950 -0.386 0.000 2.613 475 F HA 0.483 5.013 4.527 0.004 0.000 0.314 475 F C -0.125 175.465 175.800 -0.351 0.000 1.075 475 F CA -0.991 56.718 58.000 -0.485 0.000 0.945 475 F CB 2.312 40.713 39.000 -0.999 0.000 1.310 475 F HN 0.226 nan 8.300 nan 0.000 0.467 476 K N 2.848 123.286 120.400 0.064 0.000 2.565 476 K HA 0.752 5.073 4.320 0.001 0.000 0.249 476 K C -2.193 174.519 176.600 0.186 0.000 0.958 476 K CA -0.358 56.015 56.287 0.145 0.000 0.806 476 K CB 1.505 34.066 32.500 0.101 0.000 1.194 476 K HN 0.721 nan 8.250 nan 0.000 0.434 477 L N 4.010 125.386 121.223 0.255 0.000 2.376 477 L HA 0.602 4.943 4.340 0.001 0.000 0.258 477 L C -2.397 174.592 176.870 0.197 0.000 1.013 477 L CA -2.653 52.289 54.840 0.171 0.000 0.822 477 L CB 2.434 44.479 42.059 -0.023 0.000 1.388 477 L HN 0.568 nan 8.230 nan 0.000 0.413 478 P HA 0.156 nan 4.420 nan 0.000 0.272 478 P C -2.536 174.924 177.300 0.267 0.000 1.223 478 P CA -1.019 62.208 63.100 0.211 0.000 0.784 478 P CB -0.218 31.596 31.700 0.189 0.000 0.923 479 P HA 0.214 nan 4.420 nan 0.000 0.266 479 P C 0.421 177.787 177.300 0.110 0.000 1.186 479 P CA 1.061 64.244 63.100 0.138 0.000 0.767 479 P CB 0.123 31.868 31.700 0.076 0.000 0.820 480 G N 1.167 110.001 108.800 0.056 0.000 2.340 480 G HA2 0.075 4.036 3.960 0.001 0.000 0.282 480 G HA3 0.075 4.036 3.960 0.001 0.000 0.282 480 G C -1.844 172.941 174.900 -0.192 0.000 1.312 480 G CA -0.726 44.304 45.100 -0.116 0.000 0.942 480 G HN 0.436 nan 8.290 nan 0.000 0.495 481 E N -0.274 119.699 120.200 -0.379 0.000 2.171 481 E HA 0.603 4.954 4.350 0.001 0.000 0.271 481 E C -1.489 174.831 176.600 -0.467 0.000 0.916 481 E CA -0.466 55.775 56.400 -0.265 0.000 0.774 481 E CB 2.109 31.718 29.700 -0.153 0.000 1.128 481 E HN 0.413 nan 8.360 nan 0.000 0.403 482 Y N 0.141 120.430 120.300 -0.018 0.000 2.536 482 Y HA 0.399 4.951 4.550 0.003 0.000 0.347 482 Y C -0.230 175.700 175.900 0.050 0.000 1.000 482 Y CA -1.074 57.041 58.100 0.026 0.000 1.051 482 Y CB 1.741 40.196 38.460 -0.010 0.000 1.259 482 Y HN 0.203 nan 8.280 nan 0.000 0.468 483 V N 3.672 123.757 119.914 0.284 0.000 2.384 483 V HA 0.303 4.424 4.120 0.001 0.000 0.287 483 V C -0.786 175.508 176.094 0.334 0.000 1.020 483 V CA -0.720 61.722 62.300 0.237 0.000 0.850 483 V CB 1.449 33.355 31.823 0.138 0.000 0.987 483 V HN 0.525 nan 8.190 nan 0.000 0.436 484 L N 7.151 128.537 121.223 0.271 0.000 2.276 484 L HA 0.560 4.900 4.340 0.001 0.000 0.286 484 L C -0.291 176.760 176.870 0.302 0.000 1.061 484 L CA 0.360 55.367 54.840 0.277 0.000 0.807 484 L CB 1.440 43.590 42.059 0.152 0.000 1.177 484 L HN 0.449 nan 8.230 nan 0.000 0.429 485 V N 7.583 127.704 119.914 0.344 0.000 2.275 485 V HA 0.428 4.549 4.120 0.001 0.000 0.272 485 V C -2.160 174.098 176.094 0.274 0.000 1.028 485 V CA -1.289 61.140 62.300 0.215 0.000 0.810 485 V CB 0.864 32.726 31.823 0.065 0.000 1.043 485 V HN 0.719 nan 8.190 nan 0.000 0.453 486 P HA 0.438 nan 4.420 nan 0.000 0.285 486 P C -0.526 176.961 177.300 0.313 0.000 1.259 486 P CA -0.002 63.208 63.100 0.183 0.000 0.794 486 P CB 1.741 33.319 31.700 -0.204 0.000 0.940 487 S N 0.789 116.616 115.700 0.212 0.000 2.607 487 S HA 0.653 5.123 4.470 0.001 0.000 0.273 487 S C -0.147 174.130 174.600 -0.538 0.000 1.148 487 S CA -0.618 57.468 58.200 -0.190 0.000 0.833 487 S CB 0.902 64.133 63.200 0.052 0.000 1.130 487 S HN 0.543 nan 8.310 nan 0.000 0.470 488 T N -0.776 113.167 114.554 -1.018 0.000 2.816 488 T HA 0.459 4.810 4.350 0.001 0.000 0.282 488 T C 0.724 175.390 174.700 -0.055 0.000 0.993 488 T CA -0.534 61.238 62.100 -0.547 0.000 0.994 488 T CB 0.196 68.618 68.868 -0.742 0.000 1.025 488 T HN 0.608 nan 8.240 nan 0.000 0.529 489 F N 0.963 120.903 119.950 -0.016 0.000 2.074 489 F HA 0.181 4.708 4.527 0.001 0.000 0.293 489 F C 1.445 177.201 175.800 -0.073 0.000 1.116 489 F CA 0.907 58.931 58.000 0.040 0.000 1.212 489 F CB -0.004 39.046 39.000 0.083 0.000 0.998 489 F HN 0.626 nan 8.300 nan 0.000 0.471 490 E N 1.825 122.015 120.200 -0.016 0.000 2.349 490 E HA 0.173 4.524 4.350 0.001 0.000 0.265 490 E C -2.223 174.045 176.600 -0.554 0.000 1.064 490 E CA -2.140 54.036 56.400 -0.372 0.000 0.886 490 E CB 0.422 30.033 29.700 -0.148 0.000 1.036 490 E HN 0.053 nan 8.360 nan 0.000 0.413 491 P HA 0.025 nan 4.420 nan 0.000 0.277 491 P C -0.615 176.294 177.300 -0.652 0.000 1.271 491 P CA -0.069 62.533 63.100 -0.829 0.000 0.795 491 P CB 0.435 31.444 31.700 -1.152 0.000 1.101 492 H N -3.629 115.315 119.070 -0.209 0.000 2.992 492 H HA -0.104 4.453 4.556 0.002 0.000 0.266 492 H C -0.255 175.002 175.328 -0.119 0.000 1.200 492 H CA 0.691 56.660 56.048 -0.132 0.000 1.135 492 H CB -2.174 27.525 29.762 -0.104 0.000 1.282 492 H HN 0.420 nan 8.280 nan 0.000 0.351 493 K N 2.300 122.610 120.400 -0.149 0.000 2.201 493 K HA 0.282 4.603 4.320 0.001 0.000 0.278 493 K C 0.746 177.292 176.600 -0.091 0.000 1.027 493 K CA -0.497 55.660 56.287 -0.217 0.000 0.909 493 K CB 1.132 33.250 32.500 -0.635 0.000 1.062 493 K HN 0.185 nan 8.250 nan 0.000 0.465 494 N N 1.195 119.942 118.700 0.079 0.000 2.455 494 N HA 0.507 5.248 4.740 0.001 0.000 0.280 494 N C 0.082 175.809 175.510 0.362 0.000 1.055 494 N CA -0.131 53.041 53.050 0.203 0.000 0.961 494 N CB 1.772 40.358 38.487 0.166 0.000 1.121 494 N HN 0.725 nan 8.380 nan 0.000 0.476 495 G N 0.883 109.923 108.800 0.400 0.000 2.556 495 G HA2 0.142 4.103 3.960 0.001 0.000 0.294 495 G HA3 0.142 4.103 3.960 0.001 0.000 0.294 495 G C -1.810 173.215 174.900 0.209 0.000 1.516 495 G CA -0.637 44.709 45.100 0.411 0.000 0.824 495 G HN 0.302 nan 8.290 nan 0.000 0.535 496 D N 0.034 120.452 120.400 0.029 0.000 2.193 496 D HA 0.717 5.358 4.640 0.001 0.000 0.249 496 D C -0.240 175.904 176.300 -0.259 0.000 1.034 496 D CA 0.290 54.149 54.000 -0.234 0.000 0.902 496 D CB 1.841 42.510 40.800 -0.218 0.000 1.182 496 D HN 0.404 nan 8.370 nan 0.000 0.436 497 F N -0.757 118.913 119.950 -0.466 0.000 2.643 497 F HA 0.656 5.184 4.527 0.001 0.000 0.314 497 F C -0.801 174.773 175.800 -0.376 0.000 1.096 497 F CA -1.274 56.455 58.000 -0.451 0.000 0.953 497 F CB 0.991 39.623 39.000 -0.613 0.000 1.345 497 F HN 0.416 nan 8.300 nan 0.000 0.468 498 C N 1.236 120.525 119.300 -0.018 0.000 2.994 498 C HA 0.895 5.356 4.460 0.001 0.000 0.304 498 C C -1.078 173.931 174.990 0.031 0.000 1.273 498 C CA -0.995 57.997 59.018 -0.044 0.000 1.537 498 C CB 1.149 28.825 27.740 -0.107 0.000 2.001 498 C HN 0.937 nan 8.230 nan 0.000 0.471 499 I N 2.219 122.747 120.570 -0.070 0.000 2.433 499 I HA 0.522 4.693 4.170 0.001 0.000 0.292 499 I C -0.029 176.018 176.117 -0.118 0.000 1.001 499 I CA -0.556 60.665 61.300 -0.131 0.000 1.119 499 I CB 1.587 39.412 38.000 -0.291 0.000 1.289 499 I HN 0.681 nan 8.210 nan 0.000 0.438 500 R N 4.858 125.308 120.500 -0.084 0.000 2.294 500 R HA 0.641 4.982 4.340 0.001 0.000 0.319 500 R C -1.188 175.001 176.300 -0.186 0.000 0.984 500 R CA -0.626 55.370 56.100 -0.173 0.000 0.861 500 R CB 1.895 32.136 30.300 -0.098 0.000 1.104 500 R HN 0.323 nan 8.270 nan 0.000 0.451 501 V N 4.926 124.692 119.914 -0.248 0.000 2.378 501 V HA 0.375 4.495 4.120 0.001 0.000 0.288 501 V C -0.878 175.129 176.094 -0.146 0.000 1.016 501 V CA -0.661 61.598 62.300 -0.068 0.000 0.840 501 V CB 0.955 32.779 31.823 0.001 0.000 0.994 501 V HN 0.571 nan 8.190 nan 0.000 0.431 502 F N 2.679 122.759 119.950 0.218 0.000 2.361 502 F HA 0.532 5.062 4.527 0.005 0.000 0.364 502 F C 0.803 176.918 175.800 0.526 0.000 1.120 502 F CA -0.237 57.944 58.000 0.302 0.000 1.102 502 F CB 1.638 40.693 39.000 0.092 0.000 1.183 502 F HN 0.404 nan 8.300 nan 0.000 0.476 503 S N 1.994 118.067 115.700 0.621 0.000 2.475 503 S HA 0.284 4.755 4.470 0.001 0.000 0.298 503 S C -0.425 174.372 174.600 0.328 0.000 1.119 503 S CA -1.044 57.449 58.200 0.487 0.000 1.085 503 S CB 1.612 64.958 63.200 0.244 0.000 1.028 503 S HN 0.641 nan 8.310 nan 0.000 0.489 504 E N 1.988 122.169 120.200 -0.033 0.000 2.360 504 E HA 0.123 4.474 4.350 0.001 0.000 0.269 504 E C -0.588 175.858 176.600 -0.256 0.000 1.022 504 E CA -0.161 55.879 56.400 -0.601 0.000 0.887 504 E CB 0.388 29.691 29.700 -0.661 0.000 0.990 504 E HN 0.294 nan 8.360 nan 0.000 0.426 505 K N 2.932 123.163 120.400 -0.281 0.000 2.340 505 K HA 0.195 4.516 4.320 0.001 0.000 0.244 505 K C 0.390 176.905 176.600 -0.142 0.000 0.973 505 K CA -0.664 55.539 56.287 -0.140 0.000 0.828 505 K CB 1.587 34.040 32.500 -0.079 0.000 1.226 505 K HN 0.382 nan 8.250 nan 0.000 0.437 506 K N 0.039 120.377 120.400 -0.103 0.000 2.005 506 K HA 0.133 4.454 4.320 0.001 0.000 0.206 506 K C 0.898 177.440 176.600 -0.097 0.000 1.044 506 K CA 1.153 57.386 56.287 -0.090 0.000 0.942 506 K CB 0.147 32.605 32.500 -0.069 0.000 0.727 506 K HN 0.463 nan 8.250 nan 0.000 0.439 507 A N 1.246 123.983 122.820 -0.138 0.000 2.554 507 A HA 0.101 4.421 4.320 0.001 0.000 0.203 507 A C -1.044 176.266 177.584 -0.457 0.000 1.559 507 A CA -0.401 51.516 52.037 -0.199 0.000 1.389 507 A CB -0.761 18.163 19.000 -0.128 0.000 1.071 507 A HN 0.421 nan 8.150 nan 0.000 0.521 508 D N -0.111 120.060 120.400 -0.381 0.000 2.398 508 D HA 0.497 5.138 4.640 0.001 0.000 0.247 508 D C -0.034 175.928 176.300 -0.564 0.000 1.227 508 D CA 0.285 53.989 54.000 -0.493 0.000 0.980 508 D CB 0.469 41.151 40.800 -0.196 0.000 1.106 508 D HN 0.355 nan 8.370 nan 0.000 0.493 513 D N -0.846 119.582 120.400 0.047 0.000 2.732 513 D HA 0.723 5.364 4.640 0.001 0.000 0.229 513 D C -0.218 176.115 176.300 0.056 0.000 1.152 513 D CA 1.048 55.078 54.000 0.049 0.000 0.854 513 D CB 1.800 42.631 40.800 0.051 0.000 1.590 513 D HN 1.707 nan 8.370 nan 0.000 0.468 514 D N -1.589 118.844 120.400 0.055 0.000 2.424 514 D HA 0.500 5.141 4.640 0.001 0.000 0.428 514 D C 0.603 176.934 176.300 0.052 0.000 1.148 514 D CA 1.174 55.208 54.000 0.057 0.000 0.986 514 D CB -0.526 40.311 40.800 0.062 0.000 1.461 514 D HN 0.985 nan 8.370 nan 0.000 0.447 515 E N -0.317 119.913 120.200 0.051 0.000 2.232 515 E HA 0.785 5.136 4.350 0.001 0.000 0.265 515 E C -0.509 176.126 176.600 0.058 0.000 1.001 515 E CA -0.531 55.899 56.400 0.049 0.000 0.870 515 E CB 1.452 31.181 29.700 0.049 0.000 1.175 515 E HN 0.546 nan 8.360 nan 0.000 0.407 516 I N 1.615 122.225 120.570 0.065 0.000 2.312 516 I HA 0.349 4.520 4.170 0.001 0.000 0.290 516 I C -0.076 176.148 176.117 0.178 0.000 1.008 516 I CA -0.110 61.257 61.300 0.112 0.000 1.226 516 I CB 1.389 39.430 38.000 0.068 0.000 1.371 516 I HN 0.578 nan 8.210 nan 0.000 0.468 517 E N 4.444 124.738 120.200 0.157 0.000 2.293 517 E HA 0.712 5.063 4.350 0.001 0.000 0.270 517 E C -1.018 175.481 176.600 -0.168 0.000 0.879 517 E CA -0.949 55.480 56.400 0.048 0.000 0.756 517 E CB 2.351 32.046 29.700 -0.008 0.000 1.208 517 E HN 0.615 nan 8.360 nan 0.000 0.428 518 A N 3.296 125.835 122.820 -0.468 0.000 2.511 518 A HA 0.295 4.615 4.320 0.001 0.000 0.340 518 A C -0.580 176.689 177.584 -0.525 0.000 1.396 518 A CA -0.729 50.810 52.037 -0.831 0.000 0.887 518 A CB 0.019 18.198 19.000 -1.368 0.000 1.145 518 A HN 0.545 nan 8.150 nan 0.000 0.497 519 N N 2.740 121.178 118.700 -0.437 0.000 3.331 519 N HA 0.189 4.930 4.740 0.001 0.000 0.303 519 N C -0.135 175.173 175.510 -0.337 0.000 1.326 519 N CA 0.011 52.885 53.050 -0.294 0.000 1.207 519 N CB 0.480 38.853 38.487 -0.190 0.000 1.477 519 N HN 0.818 nan 8.380 nan 0.000 0.541 520 I N -2.403 117.927 120.570 -0.400 0.000 2.612 520 I HA 0.299 4.470 4.170 0.001 0.000 0.295 520 I C 0.539 176.528 176.117 -0.213 0.000 1.011 520 I CA -0.667 60.413 61.300 -0.365 0.000 1.326 520 I CB 1.004 38.738 38.000 -0.443 0.000 1.427 520 I HN -0.034 nan 8.210 nan 0.000 0.537 521 E N 3.205 123.300 120.200 -0.174 0.000 2.129 521 E HA 0.133 4.483 4.350 0.001 0.000 0.283 521 E C -0.626 175.904 176.600 -0.116 0.000 1.080 521 E CA -0.288 56.035 56.400 -0.128 0.000 0.867 521 E CB 0.497 30.127 29.700 -0.116 0.000 1.056 521 E HN 0.646 nan 8.360 nan 0.000 0.404 522 E N 2.898 123.042 120.200 -0.094 0.000 2.345 522 E HA 0.349 4.700 4.350 0.001 0.000 0.259 522 E C -0.662 175.897 176.600 -0.068 0.000 1.117 522 E CA -0.210 56.145 56.400 -0.074 0.000 0.913 522 E CB 0.872 30.539 29.700 -0.055 0.000 1.057 522 E HN 0.425 nan 8.360 nan 0.000 0.432 523 I N 1.267 121.804 120.570 -0.055 0.000 2.603 523 I HA 0.171 4.342 4.170 0.001 0.000 0.300 523 I C -0.184 175.929 176.117 -0.005 0.000 1.017 523 I CA -0.772 60.501 61.300 -0.045 0.000 1.098 523 I CB 1.784 39.739 38.000 -0.076 0.000 1.279 523 I HN 0.485 nan 8.210 nan 0.000 0.437 524 E N 5.167 125.378 120.200 0.019 0.000 1.985 524 E HA 0.328 4.678 4.350 0.001 0.000 0.268 524 E C -0.254 176.391 176.600 0.074 0.000 1.219 524 E CA -0.330 56.091 56.400 0.034 0.000 0.942 524 E CB 0.520 30.242 29.700 0.037 0.000 1.045 524 E HN 0.653 nan 8.360 nan 0.000 0.413 525 A N 5.027 127.864 122.820 0.027 0.000 2.956 525 A HA 0.184 4.505 4.320 0.001 0.000 0.294 525 A C -0.642 176.900 177.584 -0.069 0.000 0.993 525 A CA -0.839 51.199 52.037 0.003 0.000 1.032 525 A CB 0.021 19.071 19.000 0.084 0.000 1.129 525 A HN 0.523 nan 8.150 nan 0.000 0.505 526 N N 0.468 119.113 118.700 -0.091 0.000 2.493 526 N HA 0.130 4.871 4.740 0.001 0.000 0.275 526 N C 0.673 176.098 175.510 -0.143 0.000 1.186 526 N CA -0.369 52.626 53.050 -0.092 0.000 0.978 526 N CB 0.818 39.266 38.487 -0.065 0.000 1.184 526 N HN 0.296 nan 8.380 nan 0.000 0.487 527 E N 1.284 121.417 120.200 -0.111 0.000 2.118 527 E HA -0.200 4.151 4.350 0.001 0.000 0.195 527 E C 0.982 177.509 176.600 -0.121 0.000 0.992 527 E CA 1.385 57.714 56.400 -0.118 0.000 0.804 527 E CB 0.074 29.729 29.700 -0.075 0.000 0.741 527 E HN 0.539 nan 8.360 nan 0.000 0.458 528 E N 0.775 120.917 120.200 -0.097 0.000 2.160 528 E HA -0.149 4.202 4.350 0.001 0.000 0.195 528 E C 1.495 178.031 176.600 -0.107 0.000 0.991 528 E CA 1.089 57.439 56.400 -0.082 0.000 0.810 528 E CB -0.004 29.661 29.700 -0.059 0.000 0.742 528 E HN 0.241 nan 8.360 nan 0.000 0.466 529 D N -0.231 120.075 120.400 -0.157 0.000 2.323 529 D HA 0.007 4.648 4.640 0.001 0.000 0.209 529 D C 0.239 176.357 176.300 -0.303 0.000 0.973 529 D CA 0.519 54.405 54.000 -0.190 0.000 0.874 529 D CB 0.354 41.040 40.800 -0.190 0.000 0.930 529 D HN 0.227 nan 8.370 nan 0.000 0.521 530 I N 1.101 121.456 120.570 -0.359 0.000 2.330 530 I HA 0.333 4.504 4.170 0.001 0.000 0.289 530 I C 0.975 177.009 176.117 -0.138 0.000 1.001 530 I CA -0.714 60.341 61.300 -0.408 0.000 1.193 530 I CB 1.939 39.616 38.000 -0.538 0.000 1.345 530 I HN -0.251 nan 8.210 nan 0.000 0.461 531 G N 3.300 112.078 108.800 -0.036 0.000 2.531 531 G HA2 0.172 4.132 3.960 0.001 0.000 0.313 531 G HA3 0.172 4.132 3.960 0.001 0.000 0.313 531 G C 0.364 175.311 174.900 0.078 0.000 1.238 531 G CA -0.324 44.791 45.100 0.025 0.000 0.994 531 G HN 0.585 nan 8.290 nan 0.000 0.493 532 D N 0.065 120.501 120.400 0.060 0.000 2.123 532 D HA -0.125 4.516 4.640 0.001 0.000 0.196 532 D C 2.509 178.859 176.300 0.083 0.000 0.992 532 D CA 1.641 55.678 54.000 0.061 0.000 0.833 532 D CB -0.552 40.272 40.800 0.039 0.000 0.954 532 D HN 0.445 nan 8.370 nan 0.000 0.455 533 G N 0.191 109.050 108.800 0.098 0.000 2.459 533 G HA2 -0.293 3.668 3.960 0.001 0.000 0.217 533 G HA3 -0.293 3.668 3.960 0.001 0.000 0.217 533 G C 1.524 176.508 174.900 0.140 0.000 1.183 533 G CA 0.393 45.555 45.100 0.104 0.000 0.776 533 G HN 0.253 nan 8.290 nan 0.000 0.552 534 F N 1.440 121.436 119.950 0.077 0.000 2.186 534 F HA 0.079 4.607 4.527 0.001 0.000 0.299 534 F C 2.941 178.826 175.800 0.141 0.000 1.090 534 F CA 1.242 59.316 58.000 0.124 0.000 1.307 534 F CB -0.011 39.098 39.000 0.182 0.000 1.019 534 F HN -0.017 nan 8.300 nan 0.000 0.489 535 R N -0.050 120.585 120.500 0.226 0.000 2.083 535 R HA -0.158 4.183 4.340 0.001 0.000 0.237 535 R C 2.341 178.701 176.300 0.100 0.000 1.137 535 R CA 1.805 58.000 56.100 0.158 0.000 0.951 535 R CB -0.426 29.943 30.300 0.115 0.000 0.851 535 R HN 0.261 nan 8.270 nan 0.000 0.434 536 R N 0.672 121.199 120.500 0.046 0.000 2.083 536 R HA -0.147 4.193 4.340 0.001 0.000 0.237 536 R C 2.510 178.774 176.300 -0.059 0.000 1.137 536 R CA 1.537 57.638 56.100 0.001 0.000 0.951 536 R CB -0.607 29.691 30.300 -0.003 0.000 0.851 536 R HN 0.267 nan 8.270 nan 0.000 0.434 537 L N 0.254 121.410 121.223 -0.112 0.000 1.989 537 L HA -0.200 4.140 4.340 0.001 0.000 0.211 537 L C 2.314 179.027 176.870 -0.262 0.000 1.071 537 L CA 1.593 56.304 54.840 -0.214 0.000 0.749 537 L CB -0.440 41.443 42.059 -0.295 0.000 0.890 537 L HN 0.091 nan 8.230 nan 0.000 0.431 538 F N 1.072 120.756 119.950 -0.443 0.000 2.091 538 F HA -0.278 4.250 4.527 0.001 0.000 0.299 538 F C 2.350 178.005 175.800 -0.241 0.000 1.103 538 F CA 1.886 59.669 58.000 -0.361 0.000 1.228 538 F CB -0.619 38.254 39.000 -0.211 0.000 0.984 538 F HN 0.183 nan 8.300 nan 0.000 0.477 539 A N -0.304 122.433 122.820 -0.138 0.000 1.940 539 A HA -0.265 4.056 4.320 0.001 0.000 0.219 539 A C 2.158 179.575 177.584 -0.277 0.000 1.176 539 A CA 1.873 53.789 52.037 -0.201 0.000 0.631 539 A CB -0.981 18.014 19.000 -0.008 0.000 0.814 539 A HN 0.620 nan 8.150 nan 0.000 0.446 540 Q N -0.815 118.845 119.800 -0.234 0.000 2.167 540 Q HA -0.007 4.334 4.340 0.001 0.000 0.202 540 Q C 1.866 177.699 176.000 -0.279 0.000 0.970 540 Q CA 1.302 56.977 55.803 -0.212 0.000 0.855 540 Q CB -0.168 28.470 28.738 -0.168 0.000 0.911 540 Q HN 0.724 nan 8.270 nan 0.000 0.438 541 L N -1.162 119.821 121.223 -0.399 0.000 2.249 541 L HA 0.089 4.430 4.340 0.001 0.000 0.207 541 L C 2.257 178.821 176.870 -0.510 0.000 1.090 541 L CA 0.560 55.132 54.840 -0.447 0.000 0.802 541 L CB -0.300 41.432 42.059 -0.545 0.000 0.947 541 L HN 0.153 nan 8.230 nan 0.000 0.453 542 A N 0.156 122.556 122.820 -0.700 0.000 1.930 542 A HA 0.233 4.554 4.320 0.001 0.000 0.217 542 A C 1.589 178.970 177.584 -0.339 0.000 1.175 542 A CA 1.170 52.825 52.037 -0.635 0.000 0.627 542 A CB -0.766 17.651 19.000 -0.970 0.000 0.815 542 A HN 0.461 nan 8.150 nan 0.000 0.443 543 G N -0.127 108.506 108.800 -0.279 0.000 2.562 543 G HA2 -0.369 3.592 3.960 0.001 0.000 0.250 543 G HA3 -0.369 3.592 3.960 0.001 0.000 0.250 543 G C 0.694 175.520 174.900 -0.123 0.000 1.269 543 G CA 0.765 45.766 45.100 -0.166 0.000 0.919 543 G HN 0.963 nan 8.290 nan 0.000 0.574 544 E N 0.066 120.218 120.200 -0.080 0.000 2.130 544 E HA -0.217 4.134 4.350 0.001 0.000 0.196 544 E C 1.484 178.058 176.600 -0.043 0.000 0.998 544 E CA 2.060 58.428 56.400 -0.053 0.000 0.806 544 E CB -0.319 29.358 29.700 -0.038 0.000 0.738 544 E HN 0.701 nan 8.360 nan 0.000 0.459 545 D N 0.029 120.402 120.400 -0.046 0.000 2.340 545 D HA 0.198 4.838 4.640 0.001 0.000 0.217 545 D C 0.848 177.141 176.300 -0.013 0.000 1.081 545 D CA 0.506 54.492 54.000 -0.022 0.000 0.842 545 D CB 0.531 41.324 40.800 -0.012 0.000 0.934 545 D HN 0.311 nan 8.370 nan 0.000 0.511 546 A N -0.252 122.540 122.820 -0.048 0.000 2.847 546 A HA -0.262 4.058 4.320 0.001 0.000 0.263 546 A C 0.091 177.703 177.584 0.046 0.000 1.391 546 A CA 1.386 53.413 52.037 -0.017 0.000 0.866 546 A CB -2.258 16.786 19.000 0.073 0.000 1.057 546 A HN 0.485 nan 8.150 nan 0.000 0.673 547 E N -1.641 118.537 120.200 -0.036 0.000 2.356 547 E HA 0.655 5.006 4.350 0.001 0.000 0.275 547 E C -0.878 175.671 176.600 -0.084 0.000 0.904 547 E CA -0.883 55.547 56.400 0.051 0.000 0.757 547 E CB 1.774 31.531 29.700 0.094 0.000 1.232 547 E HN 0.406 nan 8.360 nan 0.000 0.442 548 I N 2.518 123.060 120.570 -0.047 0.000 2.304 548 I HA 0.120 4.290 4.170 0.001 0.000 0.291 548 I C 0.522 176.647 176.117 0.013 0.000 1.018 548 I CA -0.156 61.073 61.300 -0.119 0.000 1.260 548 I CB 1.088 38.914 38.000 -0.289 0.000 1.390 548 I HN 0.424 nan 8.210 nan 0.000 0.475 549 S N 4.895 120.608 115.700 0.022 0.000 2.655 549 S HA 0.472 4.943 4.470 0.001 0.000 0.265 549 S C 1.320 175.980 174.600 0.101 0.000 1.240 549 S CA -0.157 58.091 58.200 0.080 0.000 0.986 549 S CB 1.616 64.877 63.200 0.101 0.000 0.985 549 S HN 0.678 nan 8.310 nan 0.000 0.562 550 A N 0.715 123.614 122.820 0.131 0.000 1.908 550 A HA -0.008 4.312 4.320 0.001 0.000 0.218 550 A C 1.838 179.514 177.584 0.153 0.000 1.181 550 A CA 1.671 53.795 52.037 0.144 0.000 0.627 550 A CB -1.207 17.881 19.000 0.147 0.000 0.818 550 A HN 0.939 nan 8.150 nan 0.000 0.445 551 F N 0.820 120.793 119.950 0.038 0.000 2.102 551 F HA -0.151 4.377 4.527 0.001 0.000 0.298 551 F C 2.177 177.983 175.800 0.011 0.000 1.105 551 F CA 2.216 60.232 58.000 0.028 0.000 1.239 551 F CB -0.415 38.593 39.000 0.014 0.000 0.991 551 F HN 0.363 nan 8.300 nan 0.000 0.474 552 E N 0.021 120.222 120.200 0.001 0.000 2.058 552 E HA -0.269 4.082 4.350 0.001 0.000 0.194 552 E C 2.098 178.601 176.600 -0.161 0.000 0.997 552 E CA 1.524 57.844 56.400 -0.133 0.000 0.801 552 E CB -0.488 29.165 29.700 -0.078 0.000 0.746 552 E HN 0.367 nan 8.360 nan 0.000 0.450 553 L N 1.370 122.556 121.223 -0.063 0.000 2.046 553 L HA -0.246 4.094 4.340 0.001 0.000 0.208 553 L C 2.424 179.274 176.870 -0.033 0.000 1.077 553 L CA 1.881 56.722 54.840 0.001 0.000 0.747 553 L CB -0.550 41.575 42.059 0.110 0.000 0.896 553 L HN 0.123 nan 8.230 nan 0.000 0.432 554 Q N -1.444 118.328 119.800 -0.047 0.000 2.096 554 Q HA -0.218 4.123 4.340 0.001 0.000 0.204 554 Q C 1.857 177.787 176.000 -0.116 0.000 0.982 554 Q CA 2.413 58.195 55.803 -0.035 0.000 0.850 554 Q CB -0.112 28.620 28.738 -0.010 0.000 0.901 554 Q HN 0.562 nan 8.270 nan 0.000 0.422 555 T N 1.236 115.636 114.554 -0.257 0.000 2.708 555 T HA -0.112 4.238 4.350 0.001 0.000 0.266 555 T C 1.832 176.447 174.700 -0.142 0.000 1.037 555 T CA 1.412 63.361 62.100 -0.252 0.000 1.146 555 T CB -0.204 68.437 68.868 -0.379 0.000 0.865 555 T HN 0.272 nan 8.240 nan 0.000 0.435 556 I N 0.767 121.259 120.570 -0.131 0.000 2.127 556 I HA -0.177 3.994 4.170 0.001 0.000 0.241 556 I C 2.269 178.373 176.117 -0.023 0.000 1.075 556 I CA 1.387 62.637 61.300 -0.083 0.000 1.334 556 I CB -0.408 37.546 38.000 -0.077 0.000 1.040 556 I HN 0.186 nan 8.210 nan 0.000 0.405 557 L N -0.011 121.191 121.223 -0.036 0.000 2.056 557 L HA -0.183 4.157 4.340 0.001 0.000 0.207 557 L C 2.756 179.623 176.870 -0.005 0.000 1.078 557 L CA 1.128 55.922 54.840 -0.076 0.000 0.749 557 L CB -0.666 41.119 42.059 -0.456 0.000 0.901 557 L HN 0.222 nan 8.230 nan 0.000 0.433 558 R N 0.531 121.043 120.500 0.020 0.000 2.103 558 R HA -0.248 4.093 4.340 0.001 0.000 0.242 558 R C 2.416 178.735 176.300 0.032 0.000 1.142 558 R CA 1.921 58.056 56.100 0.057 0.000 0.960 558 R CB -0.090 30.227 30.300 0.029 0.000 0.858 558 R HN 0.155 nan 8.270 nan 0.000 0.439 559 R N -0.158 120.343 120.500 0.002 0.000 2.075 559 R HA -0.051 4.290 4.340 0.001 0.000 0.226 559 R C 2.257 178.564 176.300 0.013 0.000 1.114 559 R CA 1.219 57.316 56.100 -0.005 0.000 0.972 559 R CB -0.428 29.852 30.300 -0.035 0.000 0.869 559 R HN 0.217 nan 8.270 nan 0.000 0.437 560 V N 0.013 119.947 119.914 0.034 0.000 2.379 560 V HA -0.110 4.011 4.120 0.001 0.000 0.245 560 V C 1.721 177.844 176.094 0.048 0.000 1.044 560 V CA 1.557 63.895 62.300 0.064 0.000 1.036 560 V CB -0.170 31.746 31.823 0.156 0.000 0.664 560 V HN 0.296 nan 8.190 nan 0.000 0.453 561 L N 0.782 122.032 121.223 0.046 0.000 2.131 561 L HA -0.004 4.337 4.340 0.001 0.000 0.210 561 L C 2.730 179.615 176.870 0.026 0.000 1.092 561 L CA 1.893 56.749 54.840 0.025 0.000 0.759 561 L CB -0.849 41.256 42.059 0.075 0.000 0.903 561 L HN 0.409 nan 8.230 nan 0.000 0.435 562 A N -0.614 122.226 122.820 0.033 0.000 2.019 562 A HA -0.211 4.109 4.320 0.001 0.000 0.219 562 A C 2.233 179.827 177.584 0.016 0.000 1.164 562 A CA 1.520 53.572 52.037 0.026 0.000 0.644 562 A CB -0.364 18.649 19.000 0.023 0.000 0.805 562 A HN 0.403 nan 8.150 nan 0.000 0.449 563 K N -0.795 119.614 120.400 0.014 0.000 2.418 563 K HA 0.060 4.380 4.320 0.001 0.000 0.195 563 K C 0.031 176.634 176.600 0.005 0.000 1.035 563 K CA 0.326 56.619 56.287 0.010 0.000 1.003 563 K CB 0.202 32.710 32.500 0.013 0.000 0.793 563 K HN 0.333 nan 8.250 nan 0.000 0.494 564 R N 0.976 121.475 120.500 -0.002 0.000 2.409 564 R HA 0.119 4.460 4.340 0.001 0.000 0.313 564 R C 0.372 176.665 176.300 -0.012 0.000 0.953 564 R CA -0.224 55.867 56.100 -0.015 0.000 0.849 564 R CB 1.557 31.831 30.300 -0.044 0.000 1.171 564 R HN 0.090 nan 8.270 nan 0.000 0.458 565 E N 2.211 122.409 120.200 -0.004 0.000 2.216 565 E HA -0.152 4.198 4.350 0.001 0.000 0.192 565 E C 0.428 177.031 176.600 0.006 0.000 0.988 565 E CA 1.275 57.679 56.400 0.006 0.000 0.834 565 E CB 0.436 30.141 29.700 0.009 0.000 0.772 565 E HN 0.607 nan 8.360 nan 0.000 0.479 566 D N 0.085 120.482 120.400 -0.005 0.000 2.363 566 D HA -0.081 4.560 4.640 0.001 0.000 0.220 566 D C 0.705 177.016 176.300 0.018 0.000 0.994 566 D CA 0.315 54.317 54.000 0.002 0.000 0.890 566 D CB -0.153 40.643 40.800 -0.007 0.000 0.906 566 D HN 0.211 nan 8.370 nan 0.000 0.530 567 I N 0.883 121.437 120.570 -0.026 0.000 2.502 567 I HA 0.177 4.348 4.170 0.001 0.000 0.276 567 I C -0.091 176.023 176.117 -0.004 0.000 1.057 567 I CA -0.758 60.495 61.300 -0.077 0.000 1.163 567 I CB 1.020 38.778 38.000 -0.404 0.000 1.288 567 I HN -0.358 nan 8.210 nan 0.000 0.479 568 K N 3.920 124.389 120.400 0.116 0.000 2.249 568 K HA 0.577 4.898 4.320 0.001 0.000 0.280 568 K C -0.212 176.486 176.600 0.163 0.000 1.033 568 K CA -0.224 56.135 56.287 0.120 0.000 0.946 568 K CB 1.871 34.438 32.500 0.113 0.000 1.005 568 K HN 0.471 nan 8.250 nan 0.000 0.469 569 S N 1.225 117.008 115.700 0.138 0.000 2.537 569 S HA 0.043 4.513 4.470 0.001 0.000 0.271 569 S C -1.530 173.132 174.600 0.103 0.000 1.148 569 S CA -0.812 57.475 58.200 0.146 0.000 0.868 569 S CB 1.396 64.734 63.200 0.230 0.000 1.115 569 S HN 0.595 nan 8.310 nan 0.000 0.461 570 D N 2.792 123.233 120.400 0.068 0.000 2.713 570 D HA 0.416 5.057 4.640 0.001 0.000 0.229 570 D C 0.975 177.308 176.300 0.056 0.000 1.136 570 D CA 1.461 55.492 54.000 0.052 0.000 1.010 570 D CB -0.508 40.312 40.800 0.032 0.000 1.084 570 D HN 1.032 nan 8.370 nan 0.000 0.495 571 G N 1.451 110.307 108.800 0.092 0.000 2.907 571 G HA2 -0.285 3.676 3.960 0.001 0.000 0.242 571 G HA3 -0.285 3.676 3.960 0.001 0.000 0.242 571 G C -0.595 174.404 174.900 0.165 0.000 1.448 571 G CA -0.638 44.540 45.100 0.130 0.000 0.911 571 G HN 0.404 nan 8.290 nan 0.000 0.553 572 F N 1.740 121.730 119.950 0.067 0.000 2.427 572 F HA 0.572 5.100 4.527 0.001 0.000 0.348 572 F C 1.124 176.959 175.800 0.058 0.000 1.125 572 F CA 0.075 58.119 58.000 0.074 0.000 0.989 572 F CB 1.591 40.649 39.000 0.096 0.000 1.165 572 F HN 0.820 nan 8.300 nan 0.000 0.442 573 S N 4.617 120.338 115.700 0.036 0.000 2.572 573 S HA 0.095 4.566 4.470 0.001 0.000 0.279 573 S C 1.091 175.782 174.600 0.152 0.000 1.341 573 S CA -0.715 57.527 58.200 0.070 0.000 1.043 573 S CB 1.265 64.459 63.200 -0.010 0.000 0.887 573 S HN 0.742 nan 8.310 nan 0.000 0.516 574 I N 1.129 121.779 120.570 0.133 0.000 2.394 574 I HA -0.091 4.080 4.170 0.001 0.000 0.251 574 I C 2.359 178.551 176.117 0.126 0.000 1.136 574 I CA 1.497 62.886 61.300 0.148 0.000 1.425 574 I CB -0.482 37.608 38.000 0.150 0.000 1.079 574 I HN 0.989 nan 8.210 nan 0.000 0.425 575 E N -0.593 119.660 120.200 0.088 0.000 2.150 575 E HA -0.199 4.152 4.350 0.001 0.000 0.193 575 E C 1.909 178.554 176.600 0.075 0.000 0.985 575 E CA 1.660 58.100 56.400 0.066 0.000 0.814 575 E CB -0.047 29.674 29.700 0.035 0.000 0.752 575 E HN 0.524 nan 8.360 nan 0.000 0.466 576 T N -0.251 114.351 114.554 0.080 0.000 2.777 576 T HA -0.156 4.194 4.350 0.001 0.000 0.266 576 T C 1.996 176.814 174.700 0.197 0.000 1.040 576 T CA 1.174 63.334 62.100 0.100 0.000 1.141 576 T CB -0.414 68.458 68.868 0.006 0.000 0.868 576 T HN 0.332 nan 8.240 nan 0.000 0.444 577 C N 1.367 120.812 119.300 0.242 0.000 2.440 577 C HA 0.041 4.501 4.460 0.001 0.000 0.278 577 C C 2.740 177.831 174.990 0.168 0.000 1.295 577 C CA 0.188 59.344 59.018 0.230 0.000 1.738 577 C CB -0.756 27.113 27.740 0.215 0.000 1.987 577 C HN 0.563 nan 8.230 nan 0.000 0.492 578 K N 0.837 121.320 120.400 0.138 0.000 2.063 578 K HA -0.125 4.196 4.320 0.001 0.000 0.208 578 K C 1.703 178.364 176.600 0.100 0.000 1.048 578 K CA 1.426 57.779 56.287 0.110 0.000 0.928 578 K CB -0.256 32.296 32.500 0.087 0.000 0.713 578 K HN 0.514 nan 8.250 nan 0.000 0.442 579 I N 0.627 121.256 120.570 0.097 0.000 2.179 579 I HA -0.295 3.875 4.170 0.001 0.000 0.242 579 I C 2.462 178.642 176.117 0.105 0.000 1.088 579 I CA 1.248 62.600 61.300 0.087 0.000 1.357 579 I CB -0.176 37.867 38.000 0.072 0.000 1.051 579 I HN 0.187 nan 8.210 nan 0.000 0.409 580 M N -0.124 119.555 119.600 0.132 0.000 2.149 580 M HA -0.204 4.277 4.480 0.001 0.000 0.261 580 M C 2.358 178.748 176.300 0.150 0.000 1.064 580 M CA 1.583 56.973 55.300 0.150 0.000 1.102 580 M CB -0.233 32.479 32.600 0.186 0.000 1.369 580 M HN 0.097 nan 8.290 nan 0.000 0.408 581 V N 0.480 120.484 119.914 0.150 0.000 2.261 581 V HA -0.308 3.813 4.120 0.001 0.000 0.246 581 V C 1.762 177.929 176.094 0.120 0.000 1.047 581 V CA 2.073 64.460 62.300 0.146 0.000 1.015 581 V CB -0.733 31.172 31.823 0.136 0.000 0.642 581 V HN 0.431 nan 8.190 nan 0.000 0.446 582 D N -0.640 119.821 120.400 0.101 0.000 2.178 582 D HA -0.211 4.430 4.640 0.001 0.000 0.201 582 D C 2.026 178.379 176.300 0.087 0.000 0.980 582 D CA 1.327 55.377 54.000 0.084 0.000 0.842 582 D CB -0.342 40.499 40.800 0.069 0.000 0.948 582 D HN 0.381 nan 8.370 nan 0.000 0.472 583 M N -0.151 119.505 119.600 0.095 0.000 2.202 583 M HA -0.150 4.331 4.480 0.001 0.000 0.262 583 M C 1.224 177.580 176.300 0.092 0.000 1.063 583 M CA 1.433 56.790 55.300 0.095 0.000 1.097 583 M CB 0.181 32.841 32.600 0.100 0.000 1.382 583 M HN 0.000 nan 8.290 nan 0.000 0.413 584 L N -1.671 119.613 121.223 0.100 0.000 2.920 584 L HA 0.165 4.506 4.340 0.001 0.000 0.257 584 L C 0.195 177.125 176.870 0.100 0.000 1.150 584 L CA -0.358 54.541 54.840 0.099 0.000 0.959 584 L CB 0.213 42.339 42.059 0.112 0.000 1.321 584 L HN 0.005 nan 8.230 nan 0.000 0.555 585 D N 1.583 122.043 120.400 0.099 0.000 2.541 585 D HA -0.080 4.561 4.640 0.001 0.000 0.231 585 D C 1.333 177.677 176.300 0.074 0.000 1.163 585 D CA 0.391 54.446 54.000 0.092 0.000 1.077 585 D CB 0.400 41.253 40.800 0.089 0.000 1.110 585 D HN 0.157 nan 8.370 nan 0.000 0.499 586 E N 1.566 121.807 120.200 0.069 0.000 2.072 586 E HA -0.115 4.236 4.350 0.001 0.000 0.190 586 E C 0.252 176.882 176.600 0.049 0.000 0.982 586 E CA 0.528 56.962 56.400 0.056 0.000 0.803 586 E CB 0.200 29.930 29.700 0.050 0.000 0.755 586 E HN 0.640 nan 8.360 nan 0.000 0.453 587 D N -1.477 118.953 120.400 0.049 0.000 2.377 587 D HA 0.035 4.676 4.640 0.001 0.000 0.245 587 D C 0.815 177.143 176.300 0.047 0.000 1.196 587 D CA 0.030 54.057 54.000 0.044 0.000 0.962 587 D CB 0.556 41.382 40.800 0.043 0.000 1.127 587 D HN -0.002 nan 8.370 nan 0.000 0.471 588 G N -1.261 107.563 108.800 0.040 0.000 3.262 588 G HA2 0.008 3.968 3.960 0.001 0.000 0.228 588 G HA3 0.008 3.968 3.960 0.001 0.000 0.228 588 G C 1.180 176.105 174.900 0.041 0.000 1.197 588 G CA 0.334 45.457 45.100 0.038 0.000 0.819 588 G HN 0.520 nan 8.290 nan 0.000 0.531 589 S N -0.231 115.499 115.700 0.049 0.000 2.419 589 S HA 0.128 4.599 4.470 0.001 0.000 0.235 589 S C 2.181 176.813 174.600 0.052 0.000 1.019 589 S CA 1.317 59.548 58.200 0.051 0.000 0.982 589 S CB -0.389 62.849 63.200 0.064 0.000 0.789 589 S HN 1.484 nan 8.310 nan 0.000 0.490 590 G N 0.553 109.388 108.800 0.058 0.000 2.162 590 G HA2 -0.253 3.707 3.960 0.001 0.000 0.260 590 G HA3 -0.253 3.707 3.960 0.001 0.000 0.260 590 G C -0.005 174.940 174.900 0.074 0.000 0.976 590 G CA 0.652 45.788 45.100 0.060 0.000 0.655 590 G HN 0.723 nan 8.290 nan 0.000 0.533 591 K N -1.442 119.010 120.400 0.086 0.000 2.469 591 K HA 0.705 5.026 4.320 0.001 0.000 0.268 591 K C -1.223 175.460 176.600 0.138 0.000 1.027 591 K CA -1.226 55.123 56.287 0.103 0.000 0.893 591 K CB 1.319 33.870 32.500 0.084 0.000 1.460 591 K HN -0.031 nan 8.250 nan 0.000 0.449 592 L N 1.886 123.215 121.223 0.176 0.000 2.255 592 L HA 0.362 4.703 4.340 0.001 0.000 0.289 592 L C 0.625 177.700 176.870 0.341 0.000 1.046 592 L CA 0.275 55.270 54.840 0.259 0.000 0.816 592 L CB 0.600 42.864 42.059 0.343 0.000 1.197 592 L HN 0.789 nan 8.230 nan 0.000 0.427 593 G N 2.160 111.117 108.800 0.262 0.000 2.563 593 G HA2 0.289 4.250 3.960 0.001 0.000 0.283 593 G HA3 0.289 4.250 3.960 0.001 0.000 0.283 593 G C 0.889 175.749 174.900 -0.067 0.000 1.309 593 G CA -0.441 44.786 45.100 0.212 0.000 1.022 593 G HN 0.615 nan 8.290 nan 0.000 0.501 594 L N -0.321 120.571 121.223 -0.552 0.000 1.971 594 L HA -0.092 4.249 4.340 0.001 0.000 0.215 594 L C 2.820 179.578 176.870 -0.186 0.000 1.072 594 L CA 2.265 56.570 54.840 -0.890 0.000 0.758 594 L CB -0.391 41.277 42.059 -0.652 0.000 0.889 594 L HN 0.588 nan 8.230 nan 0.000 0.433 595 K N -0.608 119.739 120.400 -0.088 0.000 2.097 595 K HA -0.169 4.152 4.320 0.001 0.000 0.205 595 K C 1.968 178.636 176.600 0.113 0.000 1.050 595 K CA 1.781 58.071 56.287 0.005 0.000 0.938 595 K CB -0.191 32.291 32.500 -0.030 0.000 0.718 595 K HN 0.521 nan 8.250 nan 0.000 0.442 596 E N 0.137 120.412 120.200 0.124 0.000 2.106 596 E HA -0.166 4.185 4.350 0.001 0.000 0.192 596 E C 1.734 178.493 176.600 0.265 0.000 0.984 596 E CA 0.907 57.410 56.400 0.172 0.000 0.806 596 E CB -0.119 29.683 29.700 0.170 0.000 0.750 596 E HN 0.195 nan 8.360 nan 0.000 0.458 597 F N 0.232 120.312 119.950 0.217 0.000 2.259 597 F HA -0.146 4.382 4.527 0.002 0.000 0.298 597 F C 2.036 178.087 175.800 0.418 0.000 1.088 597 F CA 0.886 59.091 58.000 0.340 0.000 1.358 597 F CB -0.205 39.079 39.000 0.473 0.000 1.040 597 F HN -0.004 nan 8.300 nan 0.000 0.505 598 Y N 0.749 121.134 120.300 0.141 0.000 2.114 598 Y HA -0.231 4.319 4.550 0.001 0.000 0.284 598 Y C 2.189 177.968 175.900 -0.200 0.000 1.143 598 Y CA 2.238 60.209 58.100 -0.215 0.000 1.135 598 Y CB -0.604 37.626 38.460 -0.385 0.000 0.980 598 Y HN 0.080 nan 8.280 nan 0.000 0.499 599 I N -0.113 120.449 120.570 -0.014 0.000 2.151 599 I HA -0.352 3.818 4.170 0.001 0.000 0.243 599 I C 2.528 178.540 176.117 -0.174 0.000 1.080 599 I CA 1.772 63.014 61.300 -0.098 0.000 1.339 599 I CB -0.643 37.361 38.000 0.006 0.000 1.039 599 I HN 0.349 nan 8.210 nan 0.000 0.409 600 L N 0.375 121.539 121.223 -0.099 0.000 1.989 600 L HA -0.268 4.073 4.340 0.001 0.000 0.211 600 L C 2.486 179.235 176.870 -0.202 0.000 1.071 600 L CA 1.802 56.589 54.840 -0.088 0.000 0.749 600 L CB -0.502 41.584 42.059 0.044 0.000 0.890 600 L HN 0.430 nan 8.230 nan 0.000 0.431 601 W N 0.245 121.230 121.300 -0.525 0.000 2.388 601 W HA -0.197 4.464 4.660 0.002 0.000 0.294 601 W C 2.135 178.420 176.519 -0.390 0.000 1.212 601 W CA 1.822 58.879 57.345 -0.480 0.000 1.271 601 W CB -0.215 28.916 29.460 -0.548 0.000 1.126 601 W HN 0.234 nan 8.180 nan 0.000 0.535 602 T N 0.904 115.168 114.554 -0.482 0.000 2.746 602 T HA -0.199 4.152 4.350 0.001 0.000 0.267 602 T C 1.745 176.140 174.700 -0.507 0.000 1.039 602 T CA 1.693 63.481 62.100 -0.520 0.000 1.142 602 T CB -0.266 68.257 68.868 -0.574 0.000 0.866 602 T HN 0.124 nan 8.240 nan 0.000 0.444 603 K N 0.643 120.739 120.400 -0.508 0.000 2.032 603 K HA -0.021 4.299 4.320 0.001 0.000 0.209 603 K C 2.246 178.290 176.600 -0.926 0.000 1.048 603 K CA 1.277 57.129 56.287 -0.726 0.000 0.927 603 K CB -0.411 31.745 32.500 -0.573 0.000 0.712 603 K HN 0.312 nan 8.250 nan 0.000 0.441 604 I N 1.409 121.612 120.570 -0.612 0.000 2.264 604 I HA -0.318 3.852 4.170 0.001 0.000 0.248 604 I C 2.508 178.357 176.117 -0.448 0.000 1.111 604 I CA 1.346 62.385 61.300 -0.435 0.000 1.382 604 I CB -0.179 37.469 38.000 -0.588 0.000 1.060 604 I HN 0.254 nan 8.210 nan 0.000 0.418 605 Q N 0.445 119.856 119.800 -0.650 0.000 2.084 605 Q HA -0.231 4.110 4.340 0.001 0.000 0.202 605 Q C 2.217 178.079 176.000 -0.229 0.000 0.978 605 Q CA 1.484 57.024 55.803 -0.438 0.000 0.844 605 Q CB -0.019 28.473 28.738 -0.411 0.000 0.898 605 Q HN 0.486 nan 8.270 nan 0.000 0.426 606 K N -0.310 119.927 120.400 -0.272 0.000 2.025 606 K HA -0.134 4.187 4.320 0.001 0.000 0.207 606 K C 2.001 178.636 176.600 0.059 0.000 1.049 606 K CA 1.174 57.368 56.287 -0.154 0.000 0.933 606 K CB -0.171 32.178 32.500 -0.251 0.000 0.714 606 K HN 0.154 nan 8.250 nan 0.000 0.438 607 Y N 2.003 122.353 120.300 0.084 0.000 2.151 607 Y HA -0.270 4.281 4.550 0.001 0.000 0.284 607 Y C 2.519 178.695 175.900 0.461 0.000 1.166 607 Y CA 1.714 59.998 58.100 0.305 0.000 1.163 607 Y CB -1.020 37.560 38.460 0.201 0.000 0.974 607 Y HN 0.297 nan 8.280 nan 0.000 0.511 608 Q N 0.408 120.484 119.800 0.459 0.000 2.331 608 Q HA -0.042 4.298 4.340 0.001 0.000 0.203 608 Q C 1.946 178.019 176.000 0.122 0.000 0.944 608 Q CA 1.474 57.416 55.803 0.231 0.000 0.892 608 Q CB -0.301 28.352 28.738 -0.143 0.000 0.983 608 Q HN 0.377 nan 8.270 nan 0.000 0.482 609 K N 0.947 121.404 120.400 0.096 0.000 2.001 609 K HA -0.081 4.240 4.320 0.001 0.000 0.208 609 K C 1.928 178.581 176.600 0.089 0.000 1.048 609 K CA 1.477 57.797 56.287 0.054 0.000 0.932 609 K CB -0.198 32.310 32.500 0.015 0.000 0.715 609 K HN 0.304 nan 8.250 nan 0.000 0.437 610 I N 0.373 121.035 120.570 0.152 0.000 2.091 610 I HA -0.348 3.823 4.170 0.001 0.000 0.239 610 I C 2.366 178.553 176.117 0.118 0.000 1.061 610 I CA 1.712 63.112 61.300 0.167 0.000 1.317 610 I CB -0.507 37.676 38.000 0.306 0.000 1.031 610 I HN 0.267 nan 8.210 nan 0.000 0.401 611 Y N 1.533 121.800 120.300 -0.055 0.000 2.114 611 Y HA -0.330 4.221 4.550 0.002 0.000 0.282 611 Y C 2.767 178.553 175.900 -0.190 0.000 1.165 611 Y CA 1.860 59.772 58.100 -0.314 0.000 1.148 611 Y CB -0.149 38.092 38.460 -0.364 0.000 0.972 611 Y HN -0.014 nan 8.280 nan 0.000 0.504 612 R N -0.236 120.308 120.500 0.074 0.000 2.119 612 R HA -0.085 4.256 4.340 0.001 0.000 0.222 612 R C 2.218 178.488 176.300 -0.050 0.000 1.088 612 R CA 1.353 57.451 56.100 -0.004 0.000 0.984 612 R CB -0.150 30.165 30.300 0.025 0.000 0.884 612 R HN 0.463 nan 8.270 nan 0.000 0.447 613 E N 0.371 120.552 120.200 -0.031 0.000 2.051 613 E HA -0.147 4.204 4.350 0.001 0.000 0.192 613 E C 1.631 178.190 176.600 -0.069 0.000 0.991 613 E CA 0.842 57.221 56.400 -0.036 0.000 0.799 613 E CB 0.105 29.795 29.700 -0.016 0.000 0.748 613 E HN 0.194 nan 8.360 nan 0.000 0.449 614 I N 1.413 121.919 120.570 -0.106 0.000 3.111 614 I HA -0.099 4.072 4.170 0.001 0.000 0.272 614 I C 0.807 176.790 176.117 -0.224 0.000 1.268 614 I CA 0.664 61.865 61.300 -0.165 0.000 1.467 614 I CB -0.702 37.189 38.000 -0.181 0.000 1.087 614 I HN -0.039 nan 8.210 nan 0.000 0.467 615 D N 1.864 122.131 120.400 -0.223 0.000 2.541 615 D HA 0.030 4.671 4.640 0.001 0.000 0.231 615 D C 1.705 177.932 176.300 -0.121 0.000 1.163 615 D CA 0.012 53.872 54.000 -0.233 0.000 1.077 615 D CB 0.379 41.022 40.800 -0.263 0.000 1.110 615 D HN 0.120 nan 8.370 nan 0.000 0.499 616 V N 1.289 121.128 119.914 -0.126 0.000 2.252 616 V HA -0.263 3.858 4.120 0.001 0.000 0.249 616 V C 1.493 177.689 176.094 0.171 0.000 1.056 616 V CA 2.069 64.356 62.300 -0.022 0.000 1.022 616 V CB -0.640 31.027 31.823 -0.259 0.000 0.641 616 V HN 0.409 nan 8.190 nan 0.000 0.445 617 D N -0.423 120.053 120.400 0.127 0.000 2.349 617 D HA -0.048 4.593 4.640 0.001 0.000 0.224 617 D C 1.268 177.651 176.300 0.138 0.000 1.029 617 D CA 0.134 54.275 54.000 0.234 0.000 0.879 617 D CB -0.815 40.004 40.800 0.033 0.000 0.906 617 D HN 0.624 nan 8.370 nan 0.000 0.528 618 R N -0.265 120.266 120.500 0.052 0.000 3.322 618 R HA -0.183 4.158 4.340 0.001 0.000 0.253 618 R C 0.905 177.212 176.300 0.012 0.000 0.987 618 R CA 0.735 56.845 56.100 0.016 0.000 0.666 618 R CB -2.360 27.960 30.300 0.034 0.000 1.072 618 R HN 0.458 nan 8.270 nan 0.000 0.447 619 S N -1.712 113.979 115.700 -0.015 0.000 2.496 619 S HA 0.136 4.607 4.470 0.001 0.000 0.224 619 S C 1.586 176.182 174.600 -0.005 0.000 0.996 619 S CA 0.465 58.659 58.200 -0.009 0.000 0.927 619 S CB 0.844 64.027 63.200 -0.028 0.000 0.774 619 S HN 0.965 nan 8.310 nan 0.000 0.524 620 G N 1.051 109.836 108.800 -0.026 0.000 2.143 620 G HA2 -0.189 3.772 3.960 0.001 0.000 0.249 620 G HA3 -0.189 3.772 3.960 0.001 0.000 0.249 620 G C 0.171 175.122 174.900 0.085 0.000 0.981 620 G CA 0.497 45.624 45.100 0.045 0.000 0.665 620 G HN 1.467 nan 8.290 nan 0.000 0.528 621 T N -2.928 111.562 114.554 -0.107 0.000 2.868 621 T HA 0.719 5.070 4.350 0.001 0.000 0.306 621 T C -0.319 174.194 174.700 -0.312 0.000 1.224 621 T CA -1.029 61.010 62.100 -0.101 0.000 1.012 621 T CB 1.876 70.750 68.868 0.011 0.000 1.221 621 T HN 0.274 nan 8.240 nan 0.000 0.499 622 M N 3.986 123.426 119.600 -0.266 0.000 2.080 622 M HA 0.350 4.831 4.480 0.001 0.000 0.350 622 M C 0.196 176.443 176.300 -0.089 0.000 1.173 622 M CA -0.663 54.499 55.300 -0.231 0.000 1.052 622 M CB 0.457 32.956 32.600 -0.168 0.000 1.577 622 M HN 0.920 nan 8.290 nan 0.000 0.455 623 N N 1.486 120.130 118.700 -0.092 0.000 2.317 623 N HA 0.101 4.842 4.740 0.001 0.000 0.245 623 N C 0.861 176.356 175.510 -0.024 0.000 1.294 623 N CA 0.044 53.074 53.050 -0.034 0.000 0.924 623 N CB 0.237 38.715 38.487 -0.015 0.000 1.186 623 N HN 0.597 nan 8.380 nan 0.000 0.495 624 S N -1.066 114.639 115.700 0.007 0.000 2.382 624 S HA -0.263 4.208 4.470 0.001 0.000 0.228 624 S C 1.784 176.381 174.600 -0.005 0.000 1.027 624 S CA 0.901 59.101 58.200 0.000 0.000 0.991 624 S CB -0.992 62.203 63.200 -0.009 0.000 0.823 624 S HN 0.665 nan 8.310 nan 0.000 0.469 625 Y N 2.328 122.565 120.300 -0.104 0.000 2.163 625 Y HA 0.069 4.619 4.550 0.001 0.000 0.288 625 Y C 2.154 177.972 175.900 -0.136 0.000 1.136 625 Y CA 1.732 59.752 58.100 -0.132 0.000 1.147 625 Y CB -0.772 37.615 38.460 -0.121 0.000 0.987 625 Y HN 0.330 nan 8.280 nan 0.000 0.509 626 E N -0.430 119.485 120.200 -0.475 0.000 2.153 626 E HA -0.245 4.106 4.350 0.001 0.000 0.194 626 E C 2.050 178.474 176.600 -0.293 0.000 0.988 626 E CA 1.472 57.560 56.400 -0.520 0.000 0.811 626 E CB -0.249 29.235 29.700 -0.359 0.000 0.746 626 E HN 0.479 nan 8.360 nan 0.000 0.466 627 M N 0.757 120.264 119.600 -0.155 0.000 2.175 627 M HA -0.099 4.382 4.480 0.001 0.000 0.264 627 M C 1.820 178.096 176.300 -0.041 0.000 1.063 627 M CA 1.561 56.851 55.300 -0.017 0.000 1.119 627 M CB 0.068 32.685 32.600 0.028 0.000 1.377 627 M HN -0.142 nan 8.290 nan 0.000 0.415 628 R N -0.163 120.248 120.500 -0.149 0.000 2.080 628 R HA -0.161 4.180 4.340 0.001 0.000 0.236 628 R C 2.221 178.426 176.300 -0.157 0.000 1.137 628 R CA 1.989 57.941 56.100 -0.248 0.000 0.943 628 R CB -0.457 29.642 30.300 -0.336 0.000 0.846 628 R HN 0.380 nan 8.270 nan 0.000 0.431 629 K N 0.249 120.517 120.400 -0.221 0.000 2.074 629 K HA -0.153 4.168 4.320 0.001 0.000 0.209 629 K C 2.152 178.720 176.600 -0.053 0.000 1.048 629 K CA 1.605 57.787 56.287 -0.175 0.000 0.926 629 K CB -0.204 32.100 32.500 -0.328 0.000 0.713 629 K HN 0.188 nan 8.250 nan 0.000 0.444 630 A N 1.069 123.884 122.820 -0.008 0.000 1.930 630 A HA -0.110 4.211 4.320 0.001 0.000 0.217 630 A C 2.106 179.795 177.584 0.174 0.000 1.175 630 A CA 1.175 53.299 52.037 0.145 0.000 0.627 630 A CB -0.534 18.669 19.000 0.338 0.000 0.815 630 A HN 0.152 nan 8.150 nan 0.000 0.443 631 L N -0.590 120.717 121.223 0.140 0.000 2.017 631 L HA -0.206 4.135 4.340 0.001 0.000 0.208 631 L C 2.603 179.623 176.870 0.250 0.000 1.073 631 L CA 1.694 56.655 54.840 0.202 0.000 0.745 631 L CB -0.566 41.614 42.059 0.203 0.000 0.894 631 L HN 0.460 nan 8.230 nan 0.000 0.432 632 E N -0.304 119.994 120.200 0.164 0.000 2.110 632 E HA -0.281 4.070 4.350 0.001 0.000 0.193 632 E C 2.019 178.652 176.600 0.054 0.000 0.988 632 E CA 1.287 57.751 56.400 0.107 0.000 0.804 632 E CB -0.027 29.713 29.700 0.068 0.000 0.745 632 E HN 0.350 nan 8.360 nan 0.000 0.458 633 E N 0.859 121.094 120.200 0.058 0.000 2.152 633 E HA -0.070 4.281 4.350 0.001 0.000 0.192 633 E C 1.663 178.286 176.600 0.037 0.000 0.983 633 E CA 1.068 57.491 56.400 0.039 0.000 0.818 633 E CB -0.059 29.671 29.700 0.049 0.000 0.758 633 E HN 0.219 nan 8.360 nan 0.000 0.467 634 A N -0.706 122.164 122.820 0.083 0.000 2.206 634 A HA 0.330 4.651 4.320 0.001 0.000 0.211 634 A C 1.678 179.141 177.584 -0.203 0.000 1.158 634 A CA 0.947 53.014 52.037 0.050 0.000 0.761 634 A CB -0.456 18.674 19.000 0.217 0.000 0.801 634 A HN 0.471 nan 8.150 nan 0.000 0.473 635 G N -2.336 106.343 108.800 -0.202 0.000 2.154 635 G HA2 -0.169 3.792 3.960 0.001 0.000 0.186 635 G HA3 -0.169 3.792 3.960 0.001 0.000 0.186 635 G C -0.192 174.413 174.900 -0.491 0.000 1.000 635 G CA -0.214 44.676 45.100 -0.351 0.000 0.664 635 G HN 0.274 nan 8.290 nan 0.000 0.513 636 F N 1.156 121.046 119.950 -0.100 0.000 2.411 636 F HA 0.554 5.082 4.527 0.001 0.000 0.355 636 F C 0.746 176.530 175.800 -0.027 0.000 1.117 636 F CA -0.661 57.270 58.000 -0.115 0.000 1.139 636 F CB 1.685 40.630 39.000 -0.091 0.000 1.120 636 F HN -0.000 nan 8.300 nan 0.000 0.493 637 K N 5.742 126.218 120.400 0.127 0.000 2.299 637 K HA 0.576 4.897 4.320 0.001 0.000 0.268 637 K C -1.490 175.192 176.600 0.137 0.000 1.075 637 K CA -0.192 56.167 56.287 0.120 0.000 0.936 637 K CB 0.259 32.798 32.500 0.065 0.000 1.228 637 K HN 0.680 nan 8.250 nan 0.000 0.454 638 L N 5.583 126.865 121.223 0.099 0.000 2.354 638 L HA 0.598 4.939 4.340 0.001 0.000 0.269 638 L C -1.984 174.852 176.870 -0.056 0.000 1.005 638 L CA -2.389 52.420 54.840 -0.052 0.000 0.819 638 L CB 1.758 43.608 42.059 -0.347 0.000 1.311 638 L HN 0.598 nan 8.230 nan 0.000 0.423 639 P HA 0.115 nan 4.420 nan 0.000 0.274 639 P C 0.371 177.679 177.300 0.013 0.000 1.246 639 P CA -0.528 62.575 63.100 0.005 0.000 0.795 639 P CB 1.017 32.714 31.700 -0.005 0.000 1.006 640 C N -0.293 119.061 119.300 0.090 0.000 2.413 640 C HA -0.118 4.343 4.460 0.001 0.000 0.277 640 C C 2.844 177.871 174.990 0.061 0.000 1.265 640 C CA 0.959 60.051 59.018 0.125 0.000 1.752 640 C CB -1.687 26.085 27.740 0.053 0.000 1.998 640 C HN 0.689 nan 8.230 nan 0.000 0.489 641 Q N 0.364 120.174 119.800 0.015 0.000 2.124 641 Q HA -0.105 4.236 4.340 0.001 0.000 0.202 641 Q C 2.112 178.103 176.000 -0.015 0.000 0.977 641 Q CA 1.392 57.197 55.803 0.004 0.000 0.850 641 Q CB -0.321 28.419 28.738 0.003 0.000 0.901 641 Q HN 0.452 nan 8.270 nan 0.000 0.429 642 L N -0.033 121.151 121.223 -0.064 0.000 2.056 642 L HA -0.188 4.152 4.340 0.001 0.000 0.207 642 L C 2.280 179.093 176.870 -0.095 0.000 1.078 642 L CA 1.852 56.622 54.840 -0.116 0.000 0.749 642 L CB -1.389 40.545 42.059 -0.207 0.000 0.901 642 L HN 0.453 nan 8.230 nan 0.000 0.433 643 H N -0.070 118.990 119.070 -0.016 0.000 2.321 643 H HA -0.156 4.401 4.556 0.001 0.000 0.300 643 H C 2.245 177.563 175.328 -0.017 0.000 1.087 643 H CA 1.473 57.509 56.048 -0.020 0.000 1.319 643 H CB 0.009 29.761 29.762 -0.017 0.000 1.379 643 H HN 0.459 nan 8.280 nan 0.000 0.501 644 Q N -0.041 119.820 119.800 0.102 0.000 2.084 644 Q HA -0.088 4.253 4.340 0.001 0.000 0.202 644 Q C 2.599 178.622 176.000 0.038 0.000 0.978 644 Q CA 1.285 57.112 55.803 0.041 0.000 0.844 644 Q CB 0.003 28.748 28.738 0.011 0.000 0.898 644 Q HN 0.165 nan 8.270 nan 0.000 0.426 645 V N 0.832 120.765 119.914 0.032 0.000 2.407 645 V HA -0.264 3.857 4.120 0.001 0.000 0.248 645 V C 2.056 178.196 176.094 0.077 0.000 1.055 645 V CA 1.544 63.861 62.300 0.029 0.000 1.049 645 V CB -0.397 31.432 31.823 0.010 0.000 0.662 645 V HN 0.334 nan 8.190 nan 0.000 0.455 646 I N -0.639 119.997 120.570 0.110 0.000 2.163 646 I HA -0.186 3.985 4.170 0.001 0.000 0.240 646 I C 2.338 178.614 176.117 0.265 0.000 1.081 646 I CA 1.210 62.645 61.300 0.225 0.000 1.353 646 I CB -0.314 37.728 38.000 0.070 0.000 1.054 646 I HN 0.104 nan 8.210 nan 0.000 0.407 647 V N 1.159 121.156 119.914 0.139 0.000 2.392 647 V HA -0.187 3.934 4.120 0.001 0.000 0.249 647 V C 1.311 177.448 176.094 0.072 0.000 1.059 647 V CA 1.225 63.587 62.300 0.102 0.000 1.051 647 V CB -1.130 30.723 31.823 0.050 0.000 0.658 647 V HN 0.421 nan 8.190 nan 0.000 0.455 648 A N -0.331 122.515 122.820 0.042 0.000 2.366 648 A HA 0.553 4.873 4.320 0.001 0.000 0.272 648 A C 1.393 178.938 177.584 -0.066 0.000 1.135 648 A CA 0.393 52.424 52.037 -0.009 0.000 0.804 648 A CB 0.436 19.425 19.000 -0.019 0.000 1.064 648 A HN 0.379 nan 8.150 nan 0.000 0.499 649 R N 0.381 120.794 120.500 -0.145 0.000 2.044 649 R HA -0.198 4.143 4.340 0.001 0.000 0.165 649 R C 0.399 176.418 176.300 -0.469 0.000 0.851 649 R CA 2.313 58.199 56.100 -0.357 0.000 1.843 649 R CB -1.685 28.299 30.300 -0.527 0.000 0.828 649 R HN 0.754 nan 8.270 nan 0.000 0.646 650 F N 1.070 120.994 119.950 -0.043 0.000 2.656 650 F HA 0.475 5.002 4.527 0.001 0.000 0.291 650 F C 1.344 177.132 175.800 -0.020 0.000 1.122 650 F CA 0.629 58.603 58.000 -0.044 0.000 1.427 650 F CB 0.261 39.225 39.000 -0.059 0.000 1.125 650 F HN 0.205 nan 8.300 nan 0.000 0.583 651 A N 0.429 123.323 122.820 0.123 0.000 2.282 651 A HA 0.495 4.816 4.320 0.001 0.000 0.319 651 A C -0.334 177.271 177.584 0.036 0.000 1.121 651 A CA -0.623 51.462 52.037 0.080 0.000 0.836 651 A CB 0.224 19.265 19.000 0.068 0.000 1.146 651 A HN 0.210 nan 8.150 nan 0.000 0.494 652 D N -0.341 120.080 120.400 0.034 0.000 2.440 652 D HA 0.123 4.764 4.640 0.001 0.000 0.269 652 D C -0.105 176.204 176.300 0.015 0.000 1.249 652 D CA -0.253 53.758 54.000 0.018 0.000 1.055 652 D CB 0.151 40.963 40.800 0.021 0.000 1.104 652 D HN 0.305 nan 8.370 nan 0.000 0.561 653 D N -1.294 119.113 120.400 0.011 0.000 2.363 653 D HA -0.042 4.599 4.640 0.001 0.000 0.220 653 D C 0.728 177.039 176.300 0.018 0.000 0.994 653 D CA 0.483 54.490 54.000 0.012 0.000 0.890 653 D CB 0.066 40.871 40.800 0.009 0.000 0.906 653 D HN 0.478 nan 8.370 nan 0.000 0.530 654 E N 0.060 120.272 120.200 0.020 0.000 2.474 654 E HA 0.038 4.389 4.350 0.001 0.000 0.195 654 E C -0.045 176.571 176.600 0.025 0.000 1.039 654 E CA -0.226 56.187 56.400 0.023 0.000 0.881 654 E CB 0.563 30.274 29.700 0.020 0.000 0.970 654 E HN -0.054 nan 8.360 nan 0.000 0.486 655 L N 1.002 122.240 121.223 0.025 0.000 3.597 655 L HA -0.215 4.126 4.340 0.001 0.000 0.440 655 L C -0.852 176.035 176.870 0.028 0.000 1.277 655 L CA 0.919 55.775 54.840 0.027 0.000 0.852 655 L CB -1.474 40.598 42.059 0.022 0.000 1.708 655 L HN 0.169 nan 8.230 nan 0.000 0.885 656 I N 0.491 121.082 120.570 0.034 0.000 2.474 656 I HA 0.491 4.662 4.170 0.001 0.000 0.294 656 I C 0.541 176.695 176.117 0.062 0.000 1.005 656 I CA -0.630 60.691 61.300 0.035 0.000 1.113 656 I CB 1.912 39.929 38.000 0.029 0.000 1.289 656 I HN 0.015 nan 8.210 nan 0.000 0.436 657 I N 5.345 125.963 120.570 0.081 0.000 2.389 657 I HA 0.212 4.382 4.170 0.001 0.000 0.288 657 I C -0.166 176.063 176.117 0.188 0.000 0.999 657 I CA -0.645 60.737 61.300 0.138 0.000 1.129 657 I CB 1.622 39.727 38.000 0.176 0.000 1.288 657 I HN 0.545 nan 8.210 nan 0.000 0.444 658 D N 4.849 125.362 120.400 0.189 0.000 2.506 658 D HA 0.067 4.708 4.640 0.001 0.000 0.272 658 D C 0.859 177.341 176.300 0.303 0.000 1.214 658 D CA -0.414 53.742 54.000 0.260 0.000 1.067 658 D CB 0.551 41.451 40.800 0.168 0.000 1.117 658 D HN 0.362 nan 8.370 nan 0.000 0.578 659 F N 0.084 120.060 119.950 0.043 0.000 2.171 659 F HA -0.138 4.389 4.527 0.001 0.000 0.300 659 F C 1.882 177.653 175.800 -0.048 0.000 1.090 659 F CA 1.645 59.540 58.000 -0.175 0.000 1.293 659 F CB -0.232 38.574 39.000 -0.324 0.000 1.013 659 F HN 0.363 nan 8.300 nan 0.000 0.486 660 D N 0.212 120.511 120.400 -0.169 0.000 2.106 660 D HA -0.235 4.405 4.640 0.001 0.000 0.191 660 D C 1.712 177.771 176.300 -0.403 0.000 0.997 660 D CA 1.952 55.558 54.000 -0.657 0.000 0.834 660 D CB -0.454 40.016 40.800 -0.550 0.000 0.956 660 D HN 0.317 nan 8.370 nan 0.000 0.448 661 N N -0.950 117.663 118.700 -0.144 0.000 2.270 661 N HA -0.042 4.699 4.740 0.001 0.000 0.181 661 N C 1.461 176.924 175.510 -0.079 0.000 1.016 661 N CA 0.413 53.456 53.050 -0.011 0.000 0.870 661 N CB -0.410 38.149 38.487 0.119 0.000 0.979 661 N HN 0.165 nan 8.380 nan 0.000 0.431 662 F N 1.259 121.073 119.950 -0.227 0.000 2.069 662 F HA -0.194 4.333 4.527 0.001 0.000 0.298 662 F C 1.958 177.448 175.800 -0.518 0.000 1.113 662 F CA 1.167 58.989 58.000 -0.297 0.000 1.214 662 F CB -0.431 38.488 39.000 -0.135 0.000 0.978 662 F HN -0.178 nan 8.300 nan 0.000 0.474 663 V N 0.813 120.396 119.914 -0.552 0.000 2.307 663 V HA -0.284 3.837 4.120 0.001 0.000 0.245 663 V C 2.599 178.393 176.094 -0.500 0.000 1.045 663 V CA 2.231 64.139 62.300 -0.653 0.000 1.024 663 V CB -0.771 30.837 31.823 -0.358 0.000 0.651 663 V HN 0.306 nan 8.190 nan 0.000 0.449 664 R N -0.644 119.658 120.500 -0.330 0.000 2.091 664 R HA -0.241 4.100 4.340 0.001 0.000 0.238 664 R C 2.464 178.559 176.300 -0.343 0.000 1.136 664 R CA 2.171 58.157 56.100 -0.190 0.000 0.959 664 R CB -0.773 29.516 30.300 -0.018 0.000 0.856 664 R HN 0.616 nan 8.270 nan 0.000 0.437 665 C N 0.371 119.234 119.300 -0.727 0.000 2.436 665 C HA -0.078 4.383 4.460 0.001 0.000 0.277 665 C C 2.489 176.981 174.990 -0.830 0.000 1.241 665 C CA 0.682 58.924 59.018 -1.293 0.000 1.721 665 C CB -0.954 25.881 27.740 -1.508 0.000 2.043 665 C HN 0.518 nan 8.230 nan 0.000 0.472 666 L N 0.526 121.255 121.223 -0.823 0.000 2.109 666 L HA -0.013 4.327 4.340 0.001 0.000 0.207 666 L C 2.587 179.230 176.870 -0.380 0.000 1.086 666 L CA 1.458 55.883 54.840 -0.691 0.000 0.760 666 L CB -0.769 40.694 42.059 -0.993 0.000 0.910 666 L HN 0.229 nan 8.230 nan 0.000 0.437 667 V N -0.691 119.014 119.914 -0.349 0.000 2.295 667 V HA -0.293 3.828 4.120 0.001 0.000 0.246 667 V C 2.746 178.811 176.094 -0.047 0.000 1.049 667 V CA 1.778 64.023 62.300 -0.093 0.000 1.024 667 V CB -0.459 31.337 31.823 -0.046 0.000 0.648 667 V HN 0.374 nan 8.190 nan 0.000 0.447 668 R N -0.345 120.096 120.500 -0.100 0.000 2.081 668 R HA -0.152 4.189 4.340 0.001 0.000 0.235 668 R C 2.072 178.351 176.300 -0.034 0.000 1.131 668 R CA 1.581 57.659 56.100 -0.036 0.000 0.960 668 R CB -0.677 29.623 30.300 0.001 0.000 0.856 668 R HN 0.369 nan 8.270 nan 0.000 0.436 669 L N 1.159 122.301 121.223 -0.135 0.000 2.017 669 L HA -0.112 4.229 4.340 0.001 0.000 0.208 669 L C 2.068 179.048 176.870 0.184 0.000 1.073 669 L CA 2.002 56.773 54.840 -0.115 0.000 0.745 669 L CB -0.837 40.919 42.059 -0.504 0.000 0.894 669 L HN 0.357 nan 8.230 nan 0.000 0.432 670 E N -0.600 119.718 120.200 0.196 0.000 2.077 670 E HA -0.235 4.116 4.350 0.001 0.000 0.193 670 E C 2.330 179.075 176.600 0.242 0.000 0.989 670 E CA 1.442 58.032 56.400 0.318 0.000 0.800 670 E CB -0.134 29.722 29.700 0.259 0.000 0.746 670 E HN 0.562 nan 8.360 nan 0.000 0.452 671 I N 0.509 121.173 120.570 0.156 0.000 2.163 671 I HA -0.295 3.875 4.170 0.001 0.000 0.243 671 I C 2.219 178.419 176.117 0.139 0.000 1.085 671 I CA 0.675 62.053 61.300 0.131 0.000 1.347 671 I CB -0.181 37.875 38.000 0.093 0.000 1.044 671 I HN 0.229 nan 8.210 nan 0.000 0.408 672 L N -0.307 120.985 121.223 0.115 0.000 2.093 672 L HA -0.172 4.168 4.340 0.001 0.000 0.208 672 L C 2.265 179.180 176.870 0.076 0.000 1.085 672 L CA 1.837 56.711 54.840 0.056 0.000 0.755 672 L CB -1.125 40.913 42.059 -0.036 0.000 0.904 672 L HN 0.089 nan 8.230 nan 0.000 0.435 673 F N 0.191 120.187 119.950 0.078 0.000 2.134 673 F HA -0.224 4.304 4.527 0.001 0.000 0.299 673 F C 2.380 178.262 175.800 0.136 0.000 1.097 673 F CA 1.508 59.572 58.000 0.106 0.000 1.264 673 F CB -0.260 38.823 39.000 0.138 0.000 1.001 673 F HN 0.044 nan 8.300 nan 0.000 0.479 674 K N -0.079 120.504 120.400 0.306 0.000 2.155 674 K HA -0.067 4.254 4.320 0.001 0.000 0.203 674 K C 2.018 178.695 176.600 0.127 0.000 1.052 674 K CA 1.179 57.582 56.287 0.194 0.000 0.948 674 K CB -0.239 32.351 32.500 0.150 0.000 0.728 674 K HN 0.289 nan 8.250 nan 0.000 0.448 675 I N 0.368 120.999 120.570 0.102 0.000 2.315 675 I HA -0.257 3.914 4.170 0.001 0.000 0.248 675 I C 2.182 178.264 176.117 -0.059 0.000 1.117 675 I CA 1.155 62.449 61.300 -0.011 0.000 1.404 675 I CB -0.168 37.807 38.000 -0.042 0.000 1.071 675 I HN 0.063 nan 8.210 nan 0.000 0.419 676 F N 2.591 122.489 119.950 -0.087 0.000 2.113 676 F HA -0.163 4.365 4.527 0.002 0.000 0.297 676 F C 1.603 177.379 175.800 -0.040 0.000 1.103 676 F CA 0.837 58.785 58.000 -0.086 0.000 1.248 676 F CB 0.029 38.973 39.000 -0.093 0.000 0.999 676 F HN -0.086 nan 8.300 nan 0.000 0.475 677 K N 2.065 122.607 120.400 0.236 0.000 2.220 677 K HA 0.344 4.665 4.320 0.001 0.000 0.283 677 K C -1.051 175.565 176.600 0.026 0.000 1.098 677 K CA -0.226 56.142 56.287 0.134 0.000 0.928 677 K CB 0.487 33.108 32.500 0.202 0.000 1.214 677 K HN 0.432 nan 8.250 nan 0.000 0.442 678 Q N 2.664 122.428 119.800 -0.060 0.000 3.661 678 Q HA -0.079 4.262 4.340 0.001 0.000 0.114 678 Q C -0.768 175.126 176.000 -0.178 0.000 0.938 678 Q CA -0.126 55.631 55.803 -0.077 0.000 1.303 678 Q CB -0.097 28.621 28.738 -0.033 0.000 0.991 678 Q HN 0.602 nan 8.270 nan 0.000 0.587 679 L N 1.034 122.156 121.223 -0.169 0.000 3.495 679 L HA -0.205 4.136 4.340 0.001 0.000 0.412 679 L C 0.138 176.849 176.870 -0.265 0.000 0.717 679 L CA 2.301 57.003 54.840 -0.231 0.000 2.795 679 L CB -0.989 40.859 42.059 -0.351 0.000 0.936 679 L HN 0.773 nan 8.230 nan 0.000 0.674 680 D N -1.145 119.094 120.400 -0.268 0.000 2.879 680 D HA 0.414 5.055 4.640 0.001 0.000 0.351 680 D C -1.580 174.667 176.300 -0.088 0.000 1.239 680 D CA -1.135 52.736 54.000 -0.214 0.000 0.771 680 D CB 0.680 41.265 40.800 -0.357 0.000 1.176 680 D HN 0.045 nan 8.370 nan 0.000 0.496 681 P HA -0.029 nan 4.420 nan 0.000 0.225 681 P C -0.410 176.886 177.300 -0.006 0.000 1.148 681 P CA 0.766 63.853 63.100 -0.023 0.000 0.779 681 P CB 0.312 32.000 31.700 -0.021 0.000 0.780 682 E N 0.025 120.219 120.200 -0.010 0.000 2.145 682 E HA 0.133 4.484 4.350 0.001 0.000 0.262 682 E C -0.120 176.490 176.600 0.016 0.000 0.883 682 E CA -0.533 55.870 56.400 0.005 0.000 0.748 682 E CB 0.140 29.840 29.700 0.001 0.000 1.140 682 E HN -0.043 nan 8.360 nan 0.000 0.417 683 N N 3.891 122.613 118.700 0.036 0.000 2.576 683 N HA -0.061 4.680 4.740 0.001 0.000 0.307 683 N C -0.540 175.008 175.510 0.064 0.000 1.213 683 N CA 0.285 53.374 53.050 0.064 0.000 1.156 683 N CB 0.059 38.589 38.487 0.071 0.000 1.463 683 N HN 0.470 nan 8.380 nan 0.000 0.504 684 T N -2.153 112.434 114.554 0.056 0.000 2.902 684 T HA 0.351 4.702 4.350 0.001 0.000 0.280 684 T C 1.655 176.422 174.700 0.111 0.000 0.992 684 T CA -0.483 61.652 62.100 0.059 0.000 1.015 684 T CB 1.616 70.500 68.868 0.028 0.000 1.044 684 T HN 0.170 nan 8.240 nan 0.000 0.520 685 G N 0.794 109.658 108.800 0.106 0.000 2.448 685 G HA2 0.135 4.096 3.960 0.001 0.000 0.219 685 G HA3 0.135 4.096 3.960 0.001 0.000 0.219 685 G C 0.767 175.821 174.900 0.257 0.000 1.127 685 G CA 0.992 46.181 45.100 0.148 0.000 0.766 685 G HN 1.173 nan 8.290 nan 0.000 0.552 686 T N -2.700 111.960 114.554 0.176 0.000 2.926 686 T HA 0.741 5.092 4.350 0.001 0.000 0.289 686 T C -0.745 173.939 174.700 -0.027 0.000 1.054 686 T CA -0.897 61.297 62.100 0.157 0.000 1.015 686 T CB 2.713 71.624 68.868 0.072 0.000 1.167 686 T HN -0.058 nan 8.240 nan 0.000 0.526 687 I N 0.607 121.142 120.570 -0.058 0.000 2.686 687 I HA 0.392 4.563 4.170 0.001 0.000 0.295 687 I C -1.252 174.820 176.117 -0.075 0.000 1.114 687 I CA -0.949 60.232 61.300 -0.198 0.000 1.038 687 I CB 2.611 40.333 38.000 -0.465 0.000 1.238 687 I HN 0.658 nan 8.210 nan 0.000 0.420 688 Q N 6.027 125.781 119.800 -0.078 0.000 2.333 688 Q HA 0.748 5.089 4.340 0.001 0.000 0.268 688 Q C -1.538 174.460 176.000 -0.004 0.000 1.007 688 Q CA -0.178 55.605 55.803 -0.035 0.000 0.810 688 Q CB 2.496 31.214 28.738 -0.034 0.000 1.264 688 Q HN 0.429 nan 8.270 nan 0.000 0.452 689 L N 1.903 123.143 121.223 0.029 0.000 2.434 689 L HA 0.543 4.883 4.340 0.001 0.000 0.260 689 L C -0.983 175.936 176.870 0.083 0.000 0.983 689 L CA -1.152 53.748 54.840 0.099 0.000 0.820 689 L CB 2.282 44.472 42.059 0.220 0.000 1.361 689 L HN 0.685 nan 8.230 nan 0.000 0.410 690 D N 0.994 121.459 120.400 0.108 0.000 2.387 690 D HA 0.202 4.843 4.640 0.001 0.000 0.255 690 D C 0.778 177.167 176.300 0.150 0.000 1.081 690 D CA -0.759 53.293 54.000 0.086 0.000 0.994 690 D CB 1.089 41.926 40.800 0.061 0.000 1.127 690 D HN 0.305 nan 8.370 nan 0.000 0.513 691 L N 0.378 121.668 121.223 0.111 0.000 2.043 691 L HA -0.181 4.160 4.340 0.001 0.000 0.212 691 L C 1.949 178.934 176.870 0.191 0.000 1.075 691 L CA 1.754 56.690 54.840 0.161 0.000 0.752 691 L CB -0.843 41.270 42.059 0.090 0.000 0.891 691 L HN 0.645 nan 8.230 nan 0.000 0.432 692 I N -1.570 119.072 120.570 0.121 0.000 2.163 692 I HA -0.248 3.923 4.170 0.001 0.000 0.243 692 I C 2.266 178.432 176.117 0.082 0.000 1.085 692 I CA 1.670 63.019 61.300 0.082 0.000 1.347 692 I CB -1.230 36.799 38.000 0.047 0.000 1.044 692 I HN 0.361 nan 8.210 nan 0.000 0.408 693 S N -0.088 115.692 115.700 0.133 0.000 2.496 693 S HA -0.087 4.383 4.470 0.001 0.000 0.224 693 S C 1.731 176.508 174.600 0.296 0.000 0.996 693 S CA -0.076 58.218 58.200 0.157 0.000 0.927 693 S CB -0.770 62.576 63.200 0.243 0.000 0.774 693 S HN 0.723 nan 8.310 nan 0.000 0.524 694 W N 2.966 124.345 121.300 0.131 0.000 2.353 694 W HA -0.065 4.596 4.660 0.001 0.000 0.319 694 W C 1.390 177.967 176.519 0.097 0.000 1.207 694 W CA 0.812 58.231 57.345 0.125 0.000 1.291 694 W CB -0.511 28.991 29.460 0.069 0.000 1.159 694 W HN 0.284 nan 8.180 nan 0.000 0.478 695 L N 0.861 122.094 121.223 0.016 0.000 2.191 695 L HA -0.227 4.113 4.340 0.001 0.000 0.212 695 L C 2.822 179.599 176.870 -0.155 0.000 1.103 695 L CA 1.464 56.232 54.840 -0.119 0.000 0.769 695 L CB -0.956 41.122 42.059 0.031 0.000 0.908 695 L HN -0.012 nan 8.230 nan 0.000 0.438 696 S N -0.666 114.964 115.700 -0.118 0.000 2.362 696 S HA -0.030 4.441 4.470 0.001 0.000 0.221 696 S C 1.833 176.280 174.600 -0.255 0.000 1.032 696 S CA 0.904 58.985 58.200 -0.199 0.000 0.973 696 S CB -0.135 62.912 63.200 -0.256 0.000 0.849 696 S HN 0.289 nan 8.310 nan 0.000 0.465 697 F N 1.837 121.703 119.950 -0.139 0.000 2.206 697 F HA -0.035 4.493 4.527 0.002 0.000 0.298 697 F C 2.822 178.483 175.800 -0.232 0.000 1.090 697 F CA 1.078 58.993 58.000 -0.143 0.000 1.323 697 F CB -0.210 38.733 39.000 -0.095 0.000 1.028 697 F HN 0.306 nan 8.300 nan 0.000 0.492 698 S N -1.000 114.553 115.700 -0.246 0.000 2.414 698 S HA -0.068 4.403 4.470 0.001 0.000 0.227 698 S C 1.745 176.204 174.600 -0.236 0.000 1.022 698 S CA 1.120 59.084 58.200 -0.394 0.000 0.958 698 S CB -0.639 62.031 63.200 -0.883 0.000 0.797 698 S HN 0.130 nan 8.310 nan 0.000 0.493 699 V N 0.760 120.556 119.914 -0.197 0.000 2.795 699 V HA 0.317 4.437 4.120 0.001 0.000 0.243 699 V C 1.881 177.922 176.094 -0.089 0.000 1.069 699 V CA 0.861 63.082 62.300 -0.130 0.000 1.089 699 V CB -0.249 31.502 31.823 -0.119 0.000 0.756 699 V HN 0.424 nan 8.190 nan 0.000 0.471 700 L N -0.624 120.542 121.223 -0.095 0.000 2.664 700 L HA 0.517 4.858 4.340 0.001 0.000 0.233 700 L C 1.614 178.458 176.870 -0.044 0.000 1.113 700 L CA 0.677 55.472 54.840 -0.075 0.000 0.896 700 L CB -0.085 41.912 42.059 -0.104 0.000 1.163 700 L HN 0.439 nan 8.230 nan 0.000 0.497 701 G N 1.234 110.027 108.800 -0.012 0.000 2.596 701 G HA2 -0.442 3.519 3.960 0.001 0.000 0.304 701 G HA3 -0.442 3.519 3.960 0.001 0.000 0.304 701 G C 0.274 175.242 174.900 0.114 0.000 1.189 701 G CA 0.382 45.523 45.100 0.069 0.000 0.986 701 G HN 0.274 nan 8.290 nan 0.000 0.548 702 K N 1.537 121.995 120.400 0.097 0.000 2.367 702 K HA 0.384 4.705 4.320 0.001 0.000 0.275 702 K C 1.110 177.747 176.600 0.061 0.000 1.125 702 K CA 0.892 57.245 56.287 0.111 0.000 1.133 702 K CB -0.370 32.182 32.500 0.088 0.000 0.875 702 K HN 0.464 nan 8.250 nan 0.000 0.467 703 L N 2.773 124.052 121.223 0.093 0.000 2.688 703 L HA 0.334 4.675 4.340 0.001 0.000 0.216 703 L C 0.942 177.852 176.870 0.067 0.000 1.036 703 L CA -0.081 54.740 54.840 -0.031 0.000 0.906 703 L CB -0.556 41.281 42.059 -0.370 0.000 1.501 703 L HN 0.616 nan 8.230 nan 0.000 0.489 704 A N 0.000 122.964 122.820 0.241 0.000 2.254 704 A HA 0.000 4.321 4.320 0.001 0.000 0.244 704 A CA 0.000 52.167 52.037 0.217 0.000 0.836 704 A CB 0.000 19.159 19.000 0.265 0.000 0.831 704 A HN 0.000 nan 8.150 nan 0.000 0.486