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 2vkd_1_B DATA FIRST_RESID 3 DATA SEQUENCE LVNKAQLQKM AYVKFRIQED EYVAILNALE EYHNMSESSV VEKYLKLKDI DATA SEQUENCE NNLTDNYLNT YKKSGRNKAL KKFKEYLTME VLELKNNSLT PVEKNLHFIW DATA SEQUENCE IGGQINDTAI NYINQWKDVN SDYTVKVFYD SNAFLINTLK KTIVESATNN DATA SEQUENCE TLESFRENLN DPEFDYNKFY RKRMEIIYDK QKHFIDYYKS QIEENPEFII DATA SEQUENCE DNIIKTYLSN EYSKDLEALN KYIEESLNKI TANNGNDIRN LEKFADEDLV DATA SEQUENCE RLYNQELVER WNLAAASDIL RISMLKEDGG VYLDVDMLPG IQPDLFKSIN DATA SEQUENCE KPDSITNTSW EMIKLEAIMK YKEYIPGYTS KNFDMLDEEV QRSFESALSS DATA SEQUENCE KSDKSEIFLP LDDIKVSPLE VKIAFANNSV INQALISLKD SYCSDLVINQ DATA SEQUENCE IKNRYKILND NLNPSINEGT DFNTTMKIFS DKLASISNED NMMFMIKITN DATA SEQUENCE YLKVGFAPDV RSTINLSGPG VYTGAYQDLL MFKDNSTNIH LLEPELRNFE DATA SEQUENCE FPKTKISQLT EQEITSLWSF NQARAKSQFE EYKKGYFE 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 3 L HA 0.000 nan 4.340 nan 0.000 0.249 3 L C 0.000 177.037 176.870 0.279 0.000 1.165 3 L CA 0.000 54.950 54.840 0.183 0.000 0.813 3 L CB 0.000 42.182 42.059 0.206 0.000 0.961 4 V N 4.737 124.784 119.914 0.222 0.000 2.992 4 V HA 0.022 4.143 4.120 0.001 0.000 0.294 4 V C 0.149 176.411 176.094 0.280 0.000 1.254 4 V CA 1.081 63.514 62.300 0.222 0.000 1.359 4 V CB 0.258 32.269 31.823 0.314 0.000 0.914 4 V HN 1.125 nan 8.190 nan 0.000 0.519 5 N N 4.279 123.004 118.700 0.041 0.000 2.530 5 N HA 0.290 5.031 4.740 0.001 0.000 0.283 5 N C 0.623 176.104 175.510 -0.048 0.000 1.238 5 N CA -0.232 52.738 53.050 -0.134 0.000 0.971 5 N CB 0.555 38.764 38.487 -0.463 0.000 1.195 5 N HN 0.653 nan 8.380 nan 0.000 0.583 6 K N -1.383 118.981 120.400 -0.059 0.000 2.209 6 K HA -0.043 4.278 4.320 0.001 0.000 0.204 6 K C 1.369 177.912 176.600 -0.095 0.000 1.048 6 K CA 1.380 57.621 56.287 -0.077 0.000 0.940 6 K CB -0.385 32.079 32.500 -0.061 0.000 0.729 6 K HN 0.496 nan 8.250 nan 0.000 0.451 7 A N 1.107 123.879 122.820 -0.080 0.000 1.930 7 A HA -0.077 4.244 4.320 0.001 0.000 0.215 7 A C 2.062 179.615 177.584 -0.053 0.000 1.176 7 A CA 1.032 53.030 52.037 -0.065 0.000 0.632 7 A CB -0.361 18.602 19.000 -0.062 0.000 0.819 7 A HN 0.455 nan 8.150 nan 0.000 0.445 8 Q N -1.046 118.726 119.800 -0.047 0.000 2.119 8 Q HA -0.128 4.213 4.340 0.001 0.000 0.201 8 Q C 2.030 178.025 176.000 -0.008 0.000 0.972 8 Q CA 1.403 57.196 55.803 -0.018 0.000 0.847 8 Q CB -0.242 28.498 28.738 0.003 0.000 0.903 8 Q HN 0.575 nan 8.270 nan 0.000 0.433 9 L N 0.773 121.966 121.223 -0.050 0.000 2.056 9 L HA -0.195 4.145 4.340 0.001 0.000 0.207 9 L C 2.093 178.930 176.870 -0.055 0.000 1.078 9 L CA 1.761 56.531 54.840 -0.116 0.000 0.749 9 L CB -0.347 41.510 42.059 -0.337 0.000 0.901 9 L HN 0.175 nan 8.230 nan 0.000 0.433 10 Q N -0.714 119.062 119.800 -0.040 0.000 2.181 10 Q HA -0.218 4.123 4.340 0.001 0.000 0.205 10 Q C 1.995 178.050 176.000 0.092 0.000 0.980 10 Q CA 1.399 57.233 55.803 0.052 0.000 0.862 10 Q CB -0.012 28.734 28.738 0.013 0.000 0.905 10 Q HN 0.435 nan 8.270 nan 0.000 0.429 11 K N 0.148 120.562 120.400 0.023 0.000 2.116 11 K HA 0.000 4.321 4.320 0.001 0.000 0.203 11 K C 1.985 178.608 176.600 0.039 0.000 1.052 11 K CA 0.763 57.050 56.287 0.001 0.000 0.952 11 K CB -0.170 32.302 32.500 -0.046 0.000 0.729 11 K HN 0.275 nan 8.250 nan 0.000 0.446 12 M N 0.262 119.884 119.600 0.036 0.000 2.082 12 M HA -0.176 4.305 4.480 0.001 0.000 0.258 12 M C 1.879 178.197 176.300 0.029 0.000 1.069 12 M CA 2.060 57.383 55.300 0.038 0.000 1.102 12 M CB -0.264 32.357 32.600 0.036 0.000 1.336 12 M HN 0.057 nan 8.290 nan 0.000 0.404 13 A N -1.625 121.213 122.820 0.030 0.000 2.345 13 A HA 0.079 4.400 4.320 0.001 0.000 0.225 13 A C 0.147 177.701 177.584 -0.050 0.000 1.243 13 A CA -0.460 51.554 52.037 -0.038 0.000 0.875 13 A CB -0.498 18.464 19.000 -0.063 0.000 0.929 13 A HN 0.433 nan 8.150 nan 0.000 0.502 14 Y N 0.496 120.747 120.300 -0.082 0.000 2.712 14 Y HA 0.278 4.829 4.550 0.001 0.000 0.333 14 Y C -0.366 175.457 175.900 -0.128 0.000 1.225 14 Y CA 0.775 58.820 58.100 -0.092 0.000 1.499 14 Y CB 0.473 38.889 38.460 -0.073 0.000 1.288 14 Y HN 0.000 nan 8.280 nan 0.000 0.575 15 V N 7.163 126.640 119.914 -0.728 0.000 2.612 15 V HA 0.164 4.284 4.120 0.001 0.000 0.301 15 V C -0.555 175.006 176.094 -0.888 0.000 1.059 15 V CA -1.735 60.197 62.300 -0.614 0.000 0.886 15 V CB 1.637 33.251 31.823 -0.349 0.000 1.007 15 V HN 0.614 nan 8.190 nan 0.000 0.426 16 K N 4.105 124.022 120.400 -0.805 0.000 2.477 16 K HA -0.022 4.299 4.320 0.001 0.000 0.275 16 K C 0.520 176.701 176.600 -0.698 0.000 1.054 16 K CA 0.756 56.503 56.287 -0.900 0.000 1.135 16 K CB -0.220 31.792 32.500 -0.814 0.000 0.854 16 K HN 0.689 nan 8.250 nan 0.000 0.484 17 F N -1.222 118.619 119.950 -0.182 0.000 2.890 17 F HA -0.317 4.211 4.527 0.001 0.000 0.346 17 F C 0.771 176.495 175.800 -0.127 0.000 0.660 17 F CA 0.875 58.810 58.000 -0.108 0.000 1.091 17 F CB -1.760 37.203 39.000 -0.062 0.000 1.535 17 F HN 0.584 nan 8.300 nan 0.000 0.314 18 R N 1.876 122.314 120.500 -0.104 0.000 2.316 18 R HA 0.475 4.816 4.340 0.001 0.000 0.314 18 R C 0.375 176.620 176.300 -0.091 0.000 1.069 18 R CA -0.361 55.671 56.100 -0.113 0.000 0.959 18 R CB 0.250 30.428 30.300 -0.203 0.000 0.987 18 R HN 0.264 nan 8.270 nan 0.000 0.446 19 I N 4.434 124.976 120.570 -0.046 0.000 2.906 19 I HA -0.193 3.978 4.170 0.001 0.000 0.302 19 I C 0.675 176.780 176.117 -0.020 0.000 1.220 19 I CA 0.989 62.278 61.300 -0.018 0.000 1.441 19 I CB 0.432 38.426 38.000 -0.010 0.000 1.336 19 I HN 0.509 nan 8.210 nan 0.000 0.565 20 Q N 6.138 125.966 119.800 0.047 0.000 2.300 20 Q HA 0.087 4.427 4.340 0.001 0.000 0.262 20 Q C -0.463 175.620 176.000 0.138 0.000 1.109 20 Q CA -0.247 55.646 55.803 0.150 0.000 0.905 20 Q CB 0.333 29.170 28.738 0.165 0.000 1.280 20 Q HN 0.461 nan 8.270 nan 0.000 0.426 21 E N 1.603 121.897 120.200 0.158 0.000 2.390 21 E HA -0.042 4.309 4.350 0.001 0.000 0.261 21 E C 0.245 176.977 176.600 0.220 0.000 1.076 21 E CA -0.278 56.216 56.400 0.157 0.000 0.905 21 E CB 0.601 30.357 29.700 0.092 0.000 0.984 21 E HN 0.373 nan 8.360 nan 0.000 0.427 22 D N 1.894 122.404 120.400 0.182 0.000 2.116 22 D HA -0.191 4.450 4.640 0.001 0.000 0.193 22 D C 1.257 177.671 176.300 0.191 0.000 0.998 22 D CA 1.415 55.504 54.000 0.150 0.000 0.836 22 D CB 0.001 40.871 40.800 0.118 0.000 0.951 22 D HN 0.471 nan 8.370 nan 0.000 0.449 23 E N -0.751 119.623 120.200 0.290 0.000 2.204 23 E HA -0.165 4.186 4.350 0.001 0.000 0.195 23 E C 1.766 178.614 176.600 0.414 0.000 0.990 23 E CA 0.521 57.130 56.400 0.349 0.000 0.821 23 E CB -0.185 29.774 29.700 0.431 0.000 0.750 23 E HN 0.384 nan 8.360 nan 0.000 0.477 24 Y N 0.172 120.630 120.300 0.264 0.000 2.201 24 Y HA -0.082 4.469 4.550 0.001 0.000 0.292 24 Y C 2.008 177.902 175.900 -0.009 0.000 1.119 24 Y CA 0.702 58.824 58.100 0.036 0.000 1.127 24 Y CB -0.418 38.017 38.460 -0.041 0.000 1.019 24 Y HN -0.158 nan 8.280 nan 0.000 0.514 25 V N 0.823 120.706 119.914 -0.052 0.000 2.469 25 V HA -0.335 3.785 4.120 0.001 0.000 0.251 25 V C 2.633 178.675 176.094 -0.086 0.000 1.064 25 V CA 1.784 64.006 62.300 -0.130 0.000 1.066 25 V CB -1.619 30.189 31.823 -0.025 0.000 0.667 25 V HN 0.540 nan 8.190 nan 0.000 0.461 26 A N -0.183 122.633 122.820 -0.006 0.000 1.930 26 A HA -0.122 4.199 4.320 0.001 0.000 0.217 26 A C 2.152 179.726 177.584 -0.015 0.000 1.175 26 A CA 1.642 53.684 52.037 0.008 0.000 0.627 26 A CB -0.439 18.592 19.000 0.052 0.000 0.815 26 A HN 0.527 nan 8.150 nan 0.000 0.443 27 I N -0.358 120.190 120.570 -0.037 0.000 2.252 27 I HA -0.231 3.939 4.170 0.001 0.000 0.245 27 I C 2.293 178.339 176.117 -0.119 0.000 1.102 27 I CA 1.008 62.280 61.300 -0.048 0.000 1.385 27 I CB -0.328 37.646 38.000 -0.042 0.000 1.064 27 I HN 0.273 nan 8.210 nan 0.000 0.414 28 L N 0.340 121.414 121.223 -0.248 0.000 2.056 28 L HA -0.187 4.154 4.340 0.001 0.000 0.207 28 L C 2.324 179.131 176.870 -0.105 0.000 1.078 28 L CA 1.144 55.839 54.840 -0.242 0.000 0.749 28 L CB -0.885 40.952 42.059 -0.370 0.000 0.901 28 L HN 0.278 nan 8.230 nan 0.000 0.433 29 N N 0.705 119.356 118.700 -0.081 0.000 2.069 29 N HA -0.185 4.555 4.740 0.001 0.000 0.191 29 N C 1.894 177.410 175.510 0.010 0.000 1.031 29 N CA 1.766 54.800 53.050 -0.027 0.000 0.852 29 N CB -0.440 38.035 38.487 -0.020 0.000 1.018 29 N HN 0.337 nan 8.380 nan 0.000 0.423 30 A N 0.479 123.306 122.820 0.010 0.000 1.969 30 A HA -0.052 4.268 4.320 0.001 0.000 0.218 30 A C 2.191 179.823 177.584 0.081 0.000 1.169 30 A CA 0.829 52.888 52.037 0.035 0.000 0.635 30 A CB -0.505 18.506 19.000 0.018 0.000 0.810 30 A HN 0.232 nan 8.150 nan 0.000 0.445 31 L N -0.190 121.088 121.223 0.090 0.000 2.131 31 L HA -0.022 4.319 4.340 0.001 0.000 0.206 31 L C 2.167 179.198 176.870 0.269 0.000 1.087 31 L CA 2.313 57.264 54.840 0.186 0.000 0.767 31 L CB -0.497 41.656 42.059 0.157 0.000 0.917 31 L HN 0.582 nan 8.230 nan 0.000 0.441 32 E N -0.212 120.081 120.200 0.155 0.000 2.051 32 E HA -0.257 4.094 4.350 0.001 0.000 0.192 32 E C 1.899 178.585 176.600 0.144 0.000 0.991 32 E CA 1.550 58.034 56.400 0.141 0.000 0.799 32 E CB -0.104 29.628 29.700 0.053 0.000 0.748 32 E HN 0.737 nan 8.360 nan 0.000 0.449 33 E N -0.387 119.876 120.200 0.106 0.000 2.204 33 E HA -0.233 4.118 4.350 0.001 0.000 0.194 33 E C 2.000 178.649 176.600 0.081 0.000 0.989 33 E CA 0.860 57.306 56.400 0.077 0.000 0.824 33 E CB -0.537 29.195 29.700 0.053 0.000 0.756 33 E HN 0.421 nan 8.360 nan 0.000 0.477 34 Y N 2.188 122.483 120.300 -0.009 0.000 2.181 34 Y HA -0.202 4.349 4.550 0.001 0.000 0.288 34 Y C 2.028 177.856 175.900 -0.121 0.000 1.146 34 Y CA 1.783 59.833 58.100 -0.084 0.000 1.164 34 Y CB -0.207 38.166 38.460 -0.145 0.000 0.982 34 Y HN 0.072 nan 8.280 nan 0.000 0.515 35 H N -0.154 118.889 119.070 -0.044 0.000 2.563 35 H HA 0.059 4.616 4.556 0.001 0.000 0.272 35 H C -0.034 175.225 175.328 -0.114 0.000 1.005 35 H CA 0.786 56.766 56.048 -0.113 0.000 1.171 35 H CB -0.098 29.678 29.762 0.023 0.000 1.351 35 H HN 0.366 nan 8.280 nan 0.000 0.602 36 N N 0.260 118.951 118.700 -0.015 0.000 2.610 36 N HA 0.173 4.914 4.740 0.001 0.000 0.309 36 N C 0.466 175.935 175.510 -0.068 0.000 1.536 36 N CA 0.045 53.080 53.050 -0.025 0.000 0.954 36 N CB 0.646 39.138 38.487 0.008 0.000 1.310 36 N HN 0.292 nan 8.380 nan 0.000 0.502 37 M N -1.007 118.507 119.600 -0.144 0.000 2.204 37 M HA -0.008 4.473 4.480 0.001 0.000 0.407 37 M C 1.217 177.421 176.300 -0.159 0.000 0.920 37 M CA 0.172 55.384 55.300 -0.146 0.000 1.037 37 M CB 0.537 33.024 32.600 -0.188 0.000 2.010 37 M HN 0.118 nan 8.290 nan 0.000 0.674 38 S N 0.426 116.028 115.700 -0.163 0.000 2.444 38 S HA -0.169 4.302 4.470 0.001 0.000 0.244 38 S C 1.235 175.791 174.600 -0.073 0.000 1.025 38 S CA 1.414 59.538 58.200 -0.128 0.000 0.995 38 S CB -0.334 62.816 63.200 -0.084 0.000 0.781 38 S HN 0.477 nan 8.310 nan 0.000 0.496 39 E N 1.400 121.567 120.200 -0.056 0.000 2.442 39 E HA 0.225 4.576 4.350 0.001 0.000 0.195 39 E C 0.675 177.261 176.600 -0.023 0.000 1.030 39 E CA 0.091 56.472 56.400 -0.031 0.000 0.869 39 E CB -0.111 29.576 29.700 -0.022 0.000 0.857 39 E HN 0.516 nan 8.360 nan 0.000 0.505 40 S N 1.671 117.353 115.700 -0.030 0.000 2.596 40 S HA 0.105 4.576 4.470 0.001 0.000 0.260 40 S C 0.625 175.226 174.600 0.003 0.000 1.336 40 S CA -0.324 57.869 58.200 -0.011 0.000 0.993 40 S CB 0.714 63.907 63.200 -0.012 0.000 0.923 40 S HN 0.299 nan 8.310 nan 0.000 0.567 41 S N 0.486 116.198 115.700 0.020 0.000 2.585 41 S HA 0.142 4.613 4.470 0.001 0.000 0.273 41 S C 1.428 176.053 174.600 0.041 0.000 1.339 41 S CA -0.768 57.450 58.200 0.031 0.000 1.028 41 S CB 0.456 63.681 63.200 0.041 0.000 0.906 41 S HN 0.428 nan 8.310 nan 0.000 0.528 42 V N 2.610 122.549 119.914 0.042 0.000 2.282 42 V HA -0.186 3.935 4.120 0.001 0.000 0.249 42 V C 2.454 178.588 176.094 0.067 0.000 1.057 42 V CA 1.952 64.284 62.300 0.053 0.000 1.032 42 V CB -1.425 30.422 31.823 0.038 0.000 0.645 42 V HN 0.789 nan 8.190 nan 0.000 0.447 43 V N -0.281 119.665 119.914 0.054 0.000 2.343 43 V HA -0.189 3.932 4.120 0.001 0.000 0.247 43 V C 2.719 178.867 176.094 0.089 0.000 1.051 43 V CA 1.916 64.240 62.300 0.041 0.000 1.036 43 V CB -0.607 31.275 31.823 0.098 0.000 0.654 43 V HN 0.550 nan 8.190 nan 0.000 0.451 44 E N 0.070 120.323 120.200 0.089 0.000 2.153 44 E HA -0.212 4.139 4.350 0.001 0.000 0.194 44 E C 2.251 178.909 176.600 0.097 0.000 0.988 44 E CA 1.075 57.527 56.400 0.086 0.000 0.811 44 E CB -0.147 29.591 29.700 0.064 0.000 0.746 44 E HN 0.589 nan 8.360 nan 0.000 0.466 45 K N -0.134 120.336 120.400 0.118 0.000 2.057 45 K HA -0.152 4.169 4.320 0.001 0.000 0.206 45 K C 2.183 178.907 176.600 0.208 0.000 1.050 45 K CA 0.996 57.404 56.287 0.201 0.000 0.935 45 K CB -0.300 32.320 32.500 0.199 0.000 0.715 45 K HN 0.087 nan 8.250 nan 0.000 0.439 46 Y N 1.915 122.239 120.300 0.040 0.000 2.128 46 Y HA -0.227 4.324 4.550 0.001 0.000 0.284 46 Y C 1.800 177.705 175.900 0.009 0.000 1.154 46 Y CA 1.414 59.509 58.100 -0.009 0.000 1.149 46 Y CB -0.351 37.995 38.460 -0.190 0.000 0.976 46 Y HN -0.062 nan 8.280 nan 0.000 0.505 47 L N 0.151 121.350 121.223 -0.041 0.000 2.081 47 L HA -0.258 4.083 4.340 0.001 0.000 0.212 47 L C 2.484 179.286 176.870 -0.113 0.000 1.080 47 L CA 1.802 56.604 54.840 -0.063 0.000 0.754 47 L CB -0.533 41.573 42.059 0.077 0.000 0.893 47 L HN 0.148 nan 8.230 nan 0.000 0.433 48 K N 0.569 120.935 120.400 -0.057 0.000 2.057 48 K HA -0.114 4.207 4.320 0.001 0.000 0.206 48 K C 1.928 178.405 176.600 -0.205 0.000 1.050 48 K CA 1.406 57.666 56.287 -0.046 0.000 0.935 48 K CB -0.313 32.257 32.500 0.116 0.000 0.715 48 K HN 0.175 nan 8.250 nan 0.000 0.439 49 L N 0.407 121.433 121.223 -0.329 0.000 2.046 49 L HA -0.152 4.189 4.340 0.001 0.000 0.208 49 L C 2.511 178.922 176.870 -0.765 0.000 1.077 49 L CA 1.539 56.048 54.840 -0.552 0.000 0.747 49 L CB -0.495 41.310 42.059 -0.422 0.000 0.896 49 L HN 0.207 nan 8.230 nan 0.000 0.432 50 K N 0.272 120.297 120.400 -0.625 0.000 2.044 50 K HA -0.242 4.079 4.320 0.001 0.000 0.210 50 K C 1.755 178.148 176.600 -0.344 0.000 1.049 50 K CA 2.018 58.030 56.287 -0.459 0.000 0.927 50 K CB -0.037 32.325 32.500 -0.230 0.000 0.713 50 K HN 0.241 nan 8.250 nan 0.000 0.443 51 D N 0.464 120.721 120.400 -0.239 0.000 2.117 51 D HA -0.141 4.500 4.640 0.001 0.000 0.197 51 D C 1.944 178.148 176.300 -0.161 0.000 0.987 51 D CA 1.238 55.151 54.000 -0.144 0.000 0.829 51 D CB -0.114 40.639 40.800 -0.079 0.000 0.961 51 D HN 0.324 nan 8.370 nan 0.000 0.460 52 I N 1.081 121.515 120.570 -0.227 0.000 2.226 52 I HA -0.237 3.934 4.170 0.001 0.000 0.245 52 I C 2.337 178.322 176.117 -0.220 0.000 1.100 52 I CA 0.783 61.974 61.300 -0.180 0.000 1.374 52 I CB -0.337 37.541 38.000 -0.204 0.000 1.057 52 I HN 0.040 nan 8.210 nan 0.000 0.413 53 N N 1.216 119.646 118.700 -0.450 0.000 2.120 53 N HA -0.189 4.552 4.740 0.001 0.000 0.188 53 N C 1.586 176.995 175.510 -0.168 0.000 1.024 53 N CA 1.288 54.087 53.050 -0.419 0.000 0.852 53 N CB -0.021 37.988 38.487 -0.797 0.000 1.003 53 N HN 0.335 nan 8.380 nan 0.000 0.424 54 N N 1.107 119.724 118.700 -0.137 0.000 2.188 54 N HA -0.053 4.688 4.740 0.001 0.000 0.184 54 N C 1.865 177.375 175.510 -0.000 0.000 1.018 54 N CA 0.478 53.503 53.050 -0.042 0.000 0.858 54 N CB -0.316 38.152 38.487 -0.032 0.000 0.989 54 N HN 0.321 nan 8.380 nan 0.000 0.426 55 L N 0.397 121.619 121.223 -0.002 0.000 2.201 55 L HA -0.077 4.264 4.340 0.001 0.000 0.212 55 L C 1.910 178.847 176.870 0.112 0.000 1.105 55 L CA 0.927 55.798 54.840 0.053 0.000 0.775 55 L CB -0.482 41.603 42.059 0.043 0.000 0.913 55 L HN 0.137 nan 8.230 nan 0.000 0.440 56 T N -1.663 112.947 114.554 0.094 0.000 2.896 56 T HA -0.113 4.238 4.350 0.001 0.000 0.263 56 T C 1.412 176.207 174.700 0.157 0.000 1.050 56 T CA 0.891 63.083 62.100 0.153 0.000 1.140 56 T CB -0.121 68.838 68.868 0.151 0.000 0.877 56 T HN 0.226 nan 8.240 nan 0.000 0.457 57 D N 1.183 121.637 120.400 0.090 0.000 2.117 57 D HA -0.078 4.563 4.640 0.001 0.000 0.197 57 D C 2.144 178.498 176.300 0.089 0.000 0.987 57 D CA 0.831 54.879 54.000 0.080 0.000 0.829 57 D CB -0.470 40.358 40.800 0.046 0.000 0.961 57 D HN 0.228 nan 8.370 nan 0.000 0.460 58 N N -0.190 118.563 118.700 0.090 0.000 2.043 58 N HA -0.236 4.505 4.740 0.001 0.000 0.193 58 N C 1.833 177.403 175.510 0.100 0.000 1.037 58 N CA 1.231 54.325 53.050 0.072 0.000 0.851 58 N CB -0.548 37.981 38.487 0.070 0.000 1.027 58 N HN 0.240 nan 8.380 nan 0.000 0.422 59 Y N 0.712 121.066 120.300 0.090 0.000 2.114 59 Y HA -0.171 4.379 4.550 0.001 0.000 0.282 59 Y C 2.091 178.077 175.900 0.145 0.000 1.165 59 Y CA 1.702 59.902 58.100 0.168 0.000 1.148 59 Y CB -0.332 38.252 38.460 0.205 0.000 0.972 59 Y HN 0.127 nan 8.280 nan 0.000 0.504 60 L N 0.214 121.628 121.223 0.318 0.000 2.042 60 L HA -0.290 4.051 4.340 0.001 0.000 0.210 60 L C 1.976 178.868 176.870 0.038 0.000 1.076 60 L CA 1.499 56.461 54.840 0.203 0.000 0.749 60 L CB -0.613 41.547 42.059 0.168 0.000 0.893 60 L HN 0.314 nan 8.230 nan 0.000 0.432 61 N N -1.095 117.602 118.700 -0.004 0.000 2.396 61 N HA -0.097 4.644 4.740 0.001 0.000 0.180 61 N C 1.735 177.148 175.510 -0.160 0.000 1.028 61 N CA 1.331 54.345 53.050 -0.060 0.000 0.893 61 N CB -0.187 38.275 38.487 -0.042 0.000 0.967 61 N HN 0.309 nan 8.380 nan 0.000 0.440 62 T N -0.535 113.851 114.554 -0.281 0.000 2.939 62 T HA 0.023 4.374 4.350 0.001 0.000 0.254 62 T C 0.100 174.340 174.700 -0.765 0.000 1.041 62 T CA 0.805 62.565 62.100 -0.566 0.000 1.142 62 T CB -0.062 68.346 68.868 -0.767 0.000 0.874 62 T HN 0.191 nan 8.240 nan 0.000 0.452 63 Y N 1.612 121.708 120.300 -0.340 0.000 2.836 63 Y HA 0.445 4.996 4.550 0.001 0.000 0.359 63 Y C 1.166 176.973 175.900 -0.156 0.000 1.060 63 Y CA -1.120 56.804 58.100 -0.293 0.000 1.161 63 Y CB 0.226 38.395 38.460 -0.485 0.000 1.225 63 Y HN -0.061 nan 8.280 nan 0.000 0.621 64 K N 0.802 121.186 120.400 -0.026 0.000 2.218 64 K HA -0.166 4.155 4.320 0.001 0.000 0.205 64 K C 0.968 177.586 176.600 0.030 0.000 1.046 64 K CA 1.401 57.689 56.287 0.001 0.000 0.933 64 K CB 0.155 32.642 32.500 -0.021 0.000 0.728 64 K HN 0.413 nan 8.250 nan 0.000 0.454 65 K N 0.441 120.863 120.400 0.037 0.000 2.514 65 K HA 0.100 4.421 4.320 0.001 0.000 0.207 65 K C -0.231 176.393 176.600 0.040 0.000 1.035 65 K CA -0.241 56.066 56.287 0.033 0.000 1.113 65 K CB 1.112 33.624 32.500 0.020 0.000 0.846 65 K HN -0.091 nan 8.250 nan 0.000 0.491 66 S N -0.393 115.349 115.700 0.069 0.000 2.564 66 S HA 0.139 4.609 4.470 0.001 0.000 0.278 66 S C 1.377 175.994 174.600 0.028 0.000 1.333 66 S CA -0.389 57.845 58.200 0.057 0.000 1.048 66 S CB 1.056 64.337 63.200 0.134 0.000 0.900 66 S HN 0.464 nan 8.310 nan 0.000 0.505 67 G N 3.723 112.510 108.800 -0.022 0.000 2.708 67 G HA2 -0.083 3.877 3.960 0.001 0.000 0.210 67 G HA3 -0.083 3.877 3.960 0.001 0.000 0.210 67 G C 1.352 176.211 174.900 -0.068 0.000 1.141 67 G CA 0.065 45.138 45.100 -0.045 0.000 0.788 67 G HN 0.775 nan 8.290 nan 0.000 0.531 68 R N -0.177 120.277 120.500 -0.076 0.000 2.173 68 R HA 0.043 4.384 4.340 0.001 0.000 0.208 68 R C 1.978 178.233 176.300 -0.075 0.000 1.035 68 R CA 0.347 56.355 56.100 -0.152 0.000 1.004 68 R CB -0.165 29.918 30.300 -0.361 0.000 0.917 68 R HN 0.175 nan 8.270 nan 0.000 0.462 69 N N 1.813 120.530 118.700 0.028 0.000 2.060 69 N HA -0.241 4.500 4.740 0.001 0.000 0.195 69 N C 1.533 177.055 175.510 0.019 0.000 1.028 69 N CA 1.417 54.505 53.050 0.062 0.000 0.861 69 N CB -0.220 38.319 38.487 0.086 0.000 1.029 69 N HN 0.218 nan 8.380 nan 0.000 0.428 70 K N 0.413 120.813 120.400 0.001 0.000 2.063 70 K HA -0.048 4.273 4.320 0.001 0.000 0.208 70 K C 1.819 178.407 176.600 -0.021 0.000 1.048 70 K CA 1.396 57.680 56.287 -0.006 0.000 0.928 70 K CB -0.111 32.385 32.500 -0.007 0.000 0.713 70 K HN 0.184 nan 8.250 nan 0.000 0.442 71 A N 0.954 123.756 122.820 -0.031 0.000 1.968 71 A HA -0.031 4.290 4.320 0.001 0.000 0.217 71 A C 2.029 179.595 177.584 -0.029 0.000 1.169 71 A CA 0.874 52.888 52.037 -0.039 0.000 0.638 71 A CB -0.350 18.624 19.000 -0.044 0.000 0.812 71 A HN 0.296 nan 8.150 nan 0.000 0.446 72 L N -0.806 120.407 121.223 -0.017 0.000 2.217 72 L HA -0.106 4.235 4.340 0.001 0.000 0.211 72 L C 2.374 179.290 176.870 0.076 0.000 1.107 72 L CA 1.065 55.937 54.840 0.054 0.000 0.783 72 L CB -0.371 41.699 42.059 0.018 0.000 0.919 72 L HN 0.351 nan 8.230 nan 0.000 0.442 73 K N 0.044 120.457 120.400 0.021 0.000 2.103 73 K HA -0.164 4.156 4.320 0.001 0.000 0.204 73 K C 2.094 178.660 176.600 -0.057 0.000 1.052 73 K CA 0.774 57.061 56.287 0.000 0.000 0.945 73 K CB 0.029 32.530 32.500 0.001 0.000 0.722 73 K HN -0.038 nan 8.250 nan 0.000 0.443 74 K N 1.127 121.460 120.400 -0.112 0.000 2.026 74 K HA -0.131 4.190 4.320 0.001 0.000 0.208 74 K C 1.747 178.045 176.600 -0.504 0.000 1.048 74 K CA 1.097 57.207 56.287 -0.296 0.000 0.929 74 K CB -0.546 31.760 32.500 -0.323 0.000 0.713 74 K HN 0.007 nan 8.250 nan 0.000 0.439 75 F N 1.823 121.499 119.950 -0.457 0.000 2.120 75 F HA -0.226 4.302 4.527 0.001 0.000 0.300 75 F C 1.470 177.192 175.800 -0.129 0.000 1.095 75 F CA 1.774 59.595 58.000 -0.298 0.000 1.249 75 F CB -0.153 38.775 39.000 -0.120 0.000 0.995 75 F HN 0.003 nan 8.300 nan 0.000 0.480 76 K N 0.013 120.293 120.400 -0.199 0.000 2.097 76 K HA -0.202 4.118 4.320 0.001 0.000 0.206 76 K C 2.013 178.564 176.600 -0.082 0.000 1.049 76 K CA 1.815 57.987 56.287 -0.191 0.000 0.933 76 K CB -0.362 32.106 32.500 -0.053 0.000 0.717 76 K HN 0.404 nan 8.250 nan 0.000 0.442 77 E N -0.078 120.080 120.200 -0.070 0.000 2.077 77 E HA -0.185 4.166 4.350 0.001 0.000 0.193 77 E C 1.946 178.638 176.600 0.153 0.000 0.989 77 E CA 1.186 57.606 56.400 0.033 0.000 0.800 77 E CB -0.071 29.637 29.700 0.012 0.000 0.746 77 E HN 0.297 nan 8.360 nan 0.000 0.452 78 Y N 0.656 120.944 120.300 -0.019 0.000 2.181 78 Y HA -0.168 4.383 4.550 0.001 0.000 0.288 78 Y C 2.229 178.083 175.900 -0.076 0.000 1.146 78 Y CA 0.643 58.732 58.100 -0.018 0.000 1.164 78 Y CB -0.891 37.591 38.460 0.036 0.000 0.982 78 Y HN 0.053 nan 8.280 nan 0.000 0.515 79 L N -0.813 120.369 121.223 -0.068 0.000 2.013 79 L HA -0.280 4.060 4.340 0.001 0.000 0.212 79 L C 2.322 179.329 176.870 0.229 0.000 1.073 79 L CA 1.998 56.777 54.840 -0.102 0.000 0.753 79 L CB -1.096 40.724 42.059 -0.398 0.000 0.890 79 L HN 0.177 nan 8.230 nan 0.000 0.432 80 T N -0.424 114.288 114.554 0.263 0.000 2.746 80 T HA -0.206 4.145 4.350 0.001 0.000 0.267 80 T C 1.926 176.703 174.700 0.128 0.000 1.039 80 T CA 1.486 63.702 62.100 0.193 0.000 1.142 80 T CB -0.192 68.762 68.868 0.143 0.000 0.866 80 T HN 0.239 nan 8.240 nan 0.000 0.444 81 M N 0.716 120.393 119.600 0.127 0.000 2.149 81 M HA -0.121 4.359 4.480 0.001 0.000 0.261 81 M C 2.424 178.768 176.300 0.074 0.000 1.064 81 M CA 1.530 56.885 55.300 0.091 0.000 1.102 81 M CB -0.358 32.300 32.600 0.097 0.000 1.369 81 M HN 0.161 nan 8.290 nan 0.000 0.408 82 E N 0.358 120.611 120.200 0.087 0.000 2.204 82 E HA -0.113 4.238 4.350 0.001 0.000 0.194 82 E C 1.645 178.310 176.600 0.109 0.000 0.989 82 E CA 0.937 57.388 56.400 0.084 0.000 0.824 82 E CB -0.047 29.684 29.700 0.052 0.000 0.756 82 E HN 0.283 nan 8.360 nan 0.000 0.477 83 V N 0.674 120.671 119.914 0.137 0.000 2.295 83 V HA -0.276 3.845 4.120 0.001 0.000 0.246 83 V C 2.388 178.524 176.094 0.070 0.000 1.049 83 V CA 1.806 64.196 62.300 0.150 0.000 1.024 83 V CB -0.538 31.369 31.823 0.140 0.000 0.648 83 V HN 0.339 nan 8.190 nan 0.000 0.447 84 L N -0.384 120.858 121.223 0.031 0.000 2.042 84 L HA -0.164 4.176 4.340 0.001 0.000 0.210 84 L C 2.766 179.624 176.870 -0.020 0.000 1.076 84 L CA 1.369 56.191 54.840 -0.032 0.000 0.749 84 L CB -0.690 41.337 42.059 -0.052 0.000 0.893 84 L HN 0.313 nan 8.230 nan 0.000 0.432 85 E N -0.022 120.186 120.200 0.015 0.000 2.077 85 E HA -0.182 4.169 4.350 0.001 0.000 0.193 85 E C 2.238 178.857 176.600 0.032 0.000 0.989 85 E CA 1.031 57.443 56.400 0.021 0.000 0.800 85 E CB -0.304 29.419 29.700 0.039 0.000 0.746 85 E HN 0.258 nan 8.360 nan 0.000 0.452 86 L N 1.265 122.524 121.223 0.059 0.000 2.083 86 L HA -0.132 4.208 4.340 0.001 0.000 0.209 86 L C 2.294 179.181 176.870 0.029 0.000 1.083 86 L CA 1.562 56.440 54.840 0.064 0.000 0.752 86 L CB -0.699 41.425 42.059 0.109 0.000 0.899 86 L HN 0.067 nan 8.230 nan 0.000 0.433 87 K N -0.348 120.057 120.400 0.008 0.000 2.031 87 K HA -0.111 4.210 4.320 0.001 0.000 0.205 87 K C 1.798 178.376 176.600 -0.037 0.000 1.049 87 K CA 1.475 57.749 56.287 -0.021 0.000 0.939 87 K CB -0.017 32.449 32.500 -0.056 0.000 0.717 87 K HN 0.438 nan 8.250 nan 0.000 0.438 88 N N 0.243 118.916 118.700 -0.046 0.000 2.309 88 N HA -0.103 4.638 4.740 0.001 0.000 0.182 88 N C 0.831 176.327 175.510 -0.023 0.000 1.018 88 N CA 1.031 54.053 53.050 -0.046 0.000 0.876 88 N CB -0.031 38.427 38.487 -0.049 0.000 0.972 88 N HN 0.302 nan 8.380 nan 0.000 0.434 89 N N -0.395 118.300 118.700 -0.008 0.000 2.280 89 N HA 0.021 4.762 4.740 0.001 0.000 0.192 89 N C 0.189 175.700 175.510 0.002 0.000 1.109 89 N CA 0.030 53.079 53.050 -0.000 0.000 0.855 89 N CB 0.467 38.960 38.487 0.009 0.000 0.974 89 N HN 0.131 nan 8.380 nan 0.000 0.482 90 S N 0.066 115.767 115.700 0.002 0.000 2.651 90 S HA 0.276 4.747 4.470 0.001 0.000 0.246 90 S C 0.131 174.733 174.600 0.003 0.000 1.039 90 S CA -0.602 57.602 58.200 0.006 0.000 1.013 90 S CB -0.215 62.993 63.200 0.014 0.000 0.861 90 S HN 0.076 nan 8.310 nan 0.000 0.485 91 L N 2.085 123.305 121.223 -0.005 0.000 2.416 91 L HA 0.500 4.841 4.340 0.001 0.000 0.272 91 L C 0.465 177.332 176.870 -0.004 0.000 1.161 91 L CA 0.190 55.025 54.840 -0.008 0.000 0.845 91 L CB 1.096 43.145 42.059 -0.016 0.000 1.119 91 L HN 0.325 nan 8.230 nan 0.000 0.464 92 T N 3.782 118.333 114.554 -0.004 0.000 2.982 92 T HA 0.423 4.774 4.350 0.001 0.000 0.321 92 T C -2.800 171.896 174.700 -0.006 0.000 1.229 92 T CA -1.406 60.692 62.100 -0.003 0.000 1.044 92 T CB 2.118 70.986 68.868 0.000 0.000 1.184 92 T HN 0.278 nan 8.240 nan 0.000 0.477 93 P HA 0.171 nan 4.420 nan 0.000 0.264 93 P C 0.136 177.425 177.300 -0.018 0.000 1.193 93 P CA -0.139 62.956 63.100 -0.009 0.000 0.763 93 P CB 0.258 31.953 31.700 -0.008 0.000 0.810 94 V N 2.667 122.572 119.914 -0.015 0.000 3.139 94 V HA -0.017 4.104 4.120 0.001 0.000 0.307 94 V C 0.944 176.998 176.094 -0.066 0.000 1.095 94 V CA -0.270 62.014 62.300 -0.026 0.000 1.160 94 V CB -0.727 31.090 31.823 -0.010 0.000 1.003 94 V HN 0.446 nan 8.190 nan 0.000 0.489 95 E N 1.577 121.736 120.200 -0.069 0.000 2.529 95 E HA 0.034 4.385 4.350 0.001 0.000 0.259 95 E C 0.104 176.593 176.600 -0.184 0.000 0.966 95 E CA 0.338 56.676 56.400 -0.104 0.000 0.937 95 E CB 0.076 29.737 29.700 -0.065 0.000 0.923 95 E HN 0.457 nan 8.360 nan 0.000 0.468 96 K N 3.615 123.822 120.400 -0.321 0.000 2.737 96 K HA 0.132 4.452 4.320 0.001 0.000 0.251 96 K C -0.592 175.800 176.600 -0.347 0.000 1.280 96 K CA -0.202 55.653 56.287 -0.720 0.000 1.219 96 K CB -0.282 31.634 32.500 -0.973 0.000 1.587 96 K HN 0.359 nan 8.250 nan 0.000 0.279 97 N N 1.789 120.427 118.700 -0.104 0.000 2.362 97 N HA 0.345 5.086 4.740 0.001 0.000 0.298 97 N C -0.656 174.881 175.510 0.045 0.000 1.048 97 N CA -0.521 52.534 53.050 0.009 0.000 0.858 97 N CB 2.011 40.468 38.487 -0.051 0.000 1.218 97 N HN 0.135 nan 8.380 nan 0.000 0.488 98 L N 2.285 123.583 121.223 0.126 0.000 2.298 98 L HA 0.356 4.696 4.340 0.001 0.000 0.284 98 L C -0.192 176.718 176.870 0.067 0.000 1.013 98 L CA -0.537 54.300 54.840 -0.005 0.000 0.824 98 L CB 0.825 42.912 42.059 0.046 0.000 1.221 98 L HN 0.425 nan 8.230 nan 0.000 0.418 99 H N 3.634 122.599 119.070 -0.175 0.000 2.467 99 H HA 0.511 5.068 4.556 0.001 0.000 0.326 99 H C -1.149 173.928 175.328 -0.417 0.000 1.094 99 H CA -0.561 55.463 56.048 -0.040 0.000 1.253 99 H CB 1.647 31.602 29.762 0.322 0.000 1.439 99 H HN 0.321 nan 8.280 nan 0.000 0.479 100 F N 2.093 122.110 119.950 0.111 0.000 2.588 100 F HA 0.481 5.009 4.527 0.001 0.000 0.314 100 F C -0.380 175.611 175.800 0.318 0.000 1.069 100 F CA -0.780 57.249 58.000 0.049 0.000 0.931 100 F CB 1.648 40.637 39.000 -0.019 0.000 1.260 100 F HN 0.267 nan 8.300 nan 0.000 0.465 101 I N 1.667 122.592 120.570 0.591 0.000 2.545 101 I HA 0.330 4.501 4.170 0.001 0.000 0.292 101 I C -1.565 174.870 176.117 0.532 0.000 1.040 101 I CA -0.635 60.982 61.300 0.528 0.000 1.068 101 I CB 2.368 40.633 38.000 0.441 0.000 1.251 101 I HN 0.536 nan 8.210 nan 0.000 0.424 102 W N 8.429 129.892 121.300 0.272 0.000 3.036 102 W HA 0.617 5.278 4.660 0.001 0.000 0.337 102 W C -1.982 174.669 176.519 0.220 0.000 1.055 102 W CA -0.584 56.890 57.345 0.215 0.000 1.248 102 W CB 1.708 31.267 29.460 0.166 0.000 1.335 102 W HN 0.422 nan 8.180 nan 0.000 0.446 103 I N 1.999 122.353 120.570 -0.361 0.000 2.934 103 I HA 0.903 5.074 4.170 0.001 0.000 0.306 103 I C 0.820 176.773 176.117 -0.273 0.000 1.110 103 I CA -0.424 60.781 61.300 -0.159 0.000 1.019 103 I CB 2.043 40.020 38.000 -0.038 0.000 1.227 103 I HN 0.630 nan 8.210 nan 0.000 0.434 104 G N 1.861 110.610 108.800 -0.084 0.000 2.176 104 G HA2 0.131 4.092 3.960 0.001 0.000 0.253 104 G HA3 0.131 4.092 3.960 0.001 0.000 0.253 104 G C 0.262 175.235 174.900 0.122 0.000 0.979 104 G CA -0.017 45.063 45.100 -0.032 0.000 0.641 104 G HN 1.874 nan 8.290 nan 0.000 0.530 105 G N -1.479 107.498 108.800 0.295 0.000 2.466 105 G HA2 0.623 4.584 3.960 0.001 0.000 0.291 105 G HA3 0.623 4.584 3.960 0.001 0.000 0.291 105 G C -0.750 174.540 174.900 0.650 0.000 1.460 105 G CA 0.302 45.715 45.100 0.521 0.000 0.791 105 G HN 0.807 nan 8.290 nan 0.000 0.505 106 Q N 0.150 120.234 119.800 0.473 0.000 2.300 106 Q HA 0.273 4.614 4.340 0.001 0.000 0.280 106 Q C 0.347 176.465 176.000 0.197 0.000 1.033 106 Q CA -0.313 55.596 55.803 0.177 0.000 0.903 106 Q CB 0.735 29.377 28.738 -0.160 0.000 1.195 106 Q HN 0.558 nan 8.270 nan 0.000 0.386 107 I N 4.772 125.366 120.570 0.039 0.000 2.683 107 I HA -0.066 4.105 4.170 0.001 0.000 0.286 107 I C 0.280 176.186 176.117 -0.352 0.000 1.175 107 I CA 0.219 61.282 61.300 -0.395 0.000 1.429 107 I CB 0.294 38.147 38.000 -0.244 0.000 1.371 107 I HN 0.783 nan 8.210 nan 0.000 0.569 108 N N 5.686 124.075 118.700 -0.518 0.000 2.483 108 N HA 0.008 4.749 4.740 0.001 0.000 0.269 108 N C 0.372 175.724 175.510 -0.264 0.000 1.209 108 N CA -0.336 52.523 53.050 -0.317 0.000 0.969 108 N CB 1.080 39.377 38.487 -0.317 0.000 1.173 108 N HN 0.596 nan 8.380 nan 0.000 0.475 109 D N 0.900 121.201 120.400 -0.165 0.000 2.178 109 D HA -0.101 4.540 4.640 0.001 0.000 0.202 109 D C 1.256 177.498 176.300 -0.096 0.000 0.974 109 D CA 1.361 55.293 54.000 -0.113 0.000 0.841 109 D CB 0.003 40.762 40.800 -0.068 0.000 0.953 109 D HN 0.599 nan 8.370 nan 0.000 0.478 110 T N 1.283 115.764 114.554 -0.122 0.000 2.684 110 T HA -0.174 4.177 4.350 0.001 0.000 0.267 110 T C 2.130 176.711 174.700 -0.199 0.000 1.036 110 T CA 1.594 63.625 62.100 -0.116 0.000 1.148 110 T CB -0.266 68.486 68.868 -0.193 0.000 0.863 110 T HN 0.198 nan 8.240 nan 0.000 0.436 111 A N 1.582 124.212 122.820 -0.317 0.000 1.902 111 A HA -0.054 4.266 4.320 0.001 0.000 0.217 111 A C 2.279 179.762 177.584 -0.169 0.000 1.181 111 A CA 1.138 52.988 52.037 -0.310 0.000 0.623 111 A CB -0.664 18.072 19.000 -0.441 0.000 0.818 111 A HN 0.415 nan 8.150 nan 0.000 0.443 112 I N 0.601 121.079 120.570 -0.154 0.000 2.127 112 I HA -0.278 3.893 4.170 0.001 0.000 0.241 112 I C 1.989 178.081 176.117 -0.041 0.000 1.075 112 I CA 2.050 63.282 61.300 -0.114 0.000 1.334 112 I CB -1.968 35.970 38.000 -0.102 0.000 1.040 112 I HN 0.426 nan 8.210 nan 0.000 0.405 113 N N -0.041 118.678 118.700 0.032 0.000 2.166 113 N HA -0.206 4.534 4.740 0.001 0.000 0.186 113 N C 2.007 177.585 175.510 0.113 0.000 1.019 113 N CA 1.104 54.201 53.050 0.078 0.000 0.856 113 N CB -0.325 38.236 38.487 0.122 0.000 0.993 113 N HN 0.367 nan 8.380 nan 0.000 0.426 114 Y N 0.942 121.211 120.300 -0.053 0.000 2.114 114 Y HA -0.115 4.436 4.550 0.001 0.000 0.284 114 Y C 2.164 178.060 175.900 -0.008 0.000 1.143 114 Y CA 0.643 58.731 58.100 -0.019 0.000 1.135 114 Y CB -0.127 38.355 38.460 0.038 0.000 0.980 114 Y HN 0.017 nan 8.280 nan 0.000 0.499 115 I N 0.163 120.741 120.570 0.014 0.000 2.264 115 I HA -0.351 3.819 4.170 0.001 0.000 0.248 115 I C 1.872 177.952 176.117 -0.062 0.000 1.111 115 I CA 1.090 62.238 61.300 -0.254 0.000 1.382 115 I CB -0.434 37.193 38.000 -0.622 0.000 1.060 115 I HN 0.315 nan 8.210 nan 0.000 0.418 116 N N 0.555 119.217 118.700 -0.063 0.000 2.149 116 N HA -0.192 4.548 4.740 0.001 0.000 0.188 116 N C 1.847 177.316 175.510 -0.069 0.000 1.019 116 N CA 1.143 54.160 53.050 -0.055 0.000 0.857 116 N CB -0.312 38.142 38.487 -0.055 0.000 0.997 116 N HN 0.405 nan 8.380 nan 0.000 0.426 117 Q N -0.322 119.394 119.800 -0.140 0.000 2.096 117 Q HA -0.140 4.201 4.340 0.001 0.000 0.204 117 Q C 2.119 177.940 176.000 -0.298 0.000 0.982 117 Q CA 1.183 56.799 55.803 -0.311 0.000 0.850 117 Q CB -0.733 27.644 28.738 -0.602 0.000 0.901 117 Q HN 0.551 nan 8.270 nan 0.000 0.422 118 W N 1.586 122.768 121.300 -0.197 0.000 2.379 118 W HA -0.091 4.570 4.660 0.001 0.000 0.307 118 W C 2.570 179.044 176.519 -0.074 0.000 1.200 118 W CA 0.966 58.240 57.345 -0.119 0.000 1.297 118 W CB -0.310 29.163 29.460 0.022 0.000 1.140 118 W HN 0.126 nan 8.180 nan 0.000 0.507 119 K N 0.449 120.963 120.400 0.190 0.000 2.015 119 K HA -0.254 4.066 4.320 0.001 0.000 0.216 119 K C 1.585 178.217 176.600 0.052 0.000 1.052 119 K CA 2.250 58.599 56.287 0.103 0.000 0.937 119 K CB -0.428 32.098 32.500 0.044 0.000 0.719 119 K HN -0.012 nan 8.250 nan 0.000 0.446 120 D N -0.190 120.207 120.400 -0.005 0.000 2.133 120 D HA -0.160 4.480 4.640 0.001 0.000 0.195 120 D C 1.717 178.006 176.300 -0.018 0.000 0.997 120 D CA 1.733 55.713 54.000 -0.034 0.000 0.840 120 D CB -0.155 40.586 40.800 -0.098 0.000 0.947 120 D HN 0.301 nan 8.370 nan 0.000 0.452 121 V N -2.164 117.738 119.914 -0.021 0.000 3.649 121 V HA 0.200 4.321 4.120 0.001 0.000 0.275 121 V C 0.312 176.426 176.094 0.032 0.000 1.281 121 V CA 0.246 62.542 62.300 -0.006 0.000 1.143 121 V CB -0.147 31.664 31.823 -0.021 0.000 0.892 121 V HN -0.024 nan 8.190 nan 0.000 0.441 122 N N 1.481 120.220 118.700 0.064 0.000 2.757 122 N HA 0.184 4.924 4.740 0.001 0.000 0.296 122 N C 1.217 176.829 175.510 0.171 0.000 1.874 122 N CA 0.742 53.864 53.050 0.120 0.000 0.885 122 N CB 1.390 39.912 38.487 0.059 0.000 1.242 122 N HN 0.630 nan 8.380 nan 0.000 0.488 123 S N -0.312 115.461 115.700 0.122 0.000 2.507 123 S HA -0.132 4.339 4.470 0.001 0.000 0.235 123 S C 1.109 175.779 174.600 0.118 0.000 0.988 123 S CA 0.743 59.004 58.200 0.101 0.000 0.944 123 S CB -0.035 63.203 63.200 0.063 0.000 0.762 123 S HN 0.350 nan 8.310 nan 0.000 0.526 124 D N -0.806 119.693 120.400 0.165 0.000 2.339 124 D HA 0.018 4.658 4.640 0.001 0.000 0.217 124 D C -0.374 175.989 176.300 0.105 0.000 1.050 124 D CA -0.129 53.945 54.000 0.122 0.000 0.856 124 D CB -0.448 40.411 40.800 0.099 0.000 0.922 124 D HN 0.447 nan 8.370 nan 0.000 0.518 125 Y N 0.916 121.244 120.300 0.047 0.000 2.341 125 Y HA 0.327 4.878 4.550 0.001 0.000 0.337 125 Y C 0.495 176.424 175.900 0.048 0.000 1.014 125 Y CA -0.759 57.368 58.100 0.046 0.000 1.111 125 Y CB 1.832 40.330 38.460 0.063 0.000 1.194 125 Y HN -0.303 nan 8.280 nan 0.000 0.462 126 T N 4.165 118.798 114.554 0.132 0.000 2.752 126 T HA 0.268 4.619 4.350 0.001 0.000 0.295 126 T C -0.184 174.602 174.700 0.142 0.000 0.923 126 T CA -0.401 61.764 62.100 0.108 0.000 1.112 126 T CB -0.029 68.876 68.868 0.061 0.000 0.884 126 T HN 0.261 nan 8.240 nan 0.000 0.525 127 V N 5.744 125.734 119.914 0.127 0.000 2.432 127 V HA 0.313 4.434 4.120 0.001 0.000 0.275 127 V C 0.289 176.418 176.094 0.058 0.000 1.043 127 V CA -0.439 61.943 62.300 0.137 0.000 0.925 127 V CB 0.805 32.706 31.823 0.129 0.000 0.985 127 V HN 0.741 nan 8.190 nan 0.000 0.466 128 K N 4.148 124.562 120.400 0.024 0.000 2.413 128 K HA 0.627 4.948 4.320 0.001 0.000 0.257 128 K C -1.350 175.100 176.600 -0.250 0.000 0.946 128 K CA -0.704 55.439 56.287 -0.240 0.000 0.823 128 K CB 2.453 34.608 32.500 -0.575 0.000 1.109 128 K HN 0.399 nan 8.250 nan 0.000 0.427 129 V N 4.591 124.411 119.914 -0.157 0.000 2.294 129 V HA 0.272 4.393 4.120 0.001 0.000 0.272 129 V C -0.501 175.630 176.094 0.061 0.000 1.027 129 V CA -0.785 61.527 62.300 0.020 0.000 0.823 129 V CB -0.411 31.459 31.823 0.078 0.000 1.030 129 V HN 0.552 nan 8.190 nan 0.000 0.457 130 F N 5.793 125.880 119.950 0.228 0.000 2.495 130 F HA 0.499 5.027 4.527 0.001 0.000 0.365 130 F C 0.259 176.210 175.800 0.252 0.000 1.090 130 F CA -0.154 57.935 58.000 0.148 0.000 1.235 130 F CB 0.234 39.245 39.000 0.018 0.000 1.119 130 F HN 0.623 nan 8.300 nan 0.000 0.562 131 Y N -0.579 119.868 120.300 0.245 0.000 2.644 131 Y HA 0.575 5.126 4.550 0.001 0.000 0.338 131 Y C -1.602 174.312 175.900 0.022 0.000 1.119 131 Y CA -1.770 56.413 58.100 0.137 0.000 1.060 131 Y CB 1.244 39.802 38.460 0.163 0.000 1.294 131 Y HN 0.421 nan 8.280 nan 0.000 0.472 132 D N 1.157 121.503 120.400 -0.090 0.000 2.461 132 D HA 0.161 4.801 4.640 0.001 0.000 0.240 132 D C 0.527 176.568 176.300 -0.432 0.000 1.094 132 D CA 0.154 54.013 54.000 -0.235 0.000 0.868 132 D CB 1.663 42.425 40.800 -0.063 0.000 1.062 132 D HN 0.757 nan 8.370 nan 0.000 0.530 133 S N 3.151 118.666 115.700 -0.308 0.000 2.474 133 S HA -0.128 4.343 4.470 0.001 0.000 0.235 133 S C 1.204 175.779 174.600 -0.041 0.000 0.997 133 S CA 0.610 58.758 58.200 -0.087 0.000 0.949 133 S CB 0.024 63.355 63.200 0.219 0.000 0.766 133 S HN 0.302 nan 8.310 nan 0.000 0.517 134 N N 1.803 120.462 118.700 -0.067 0.000 2.412 134 N HA 0.346 5.087 4.740 0.001 0.000 0.184 134 N C 0.193 175.715 175.510 0.019 0.000 1.101 134 N CA 0.821 53.887 53.050 0.027 0.000 0.881 134 N CB 0.461 38.977 38.487 0.049 0.000 0.969 134 N HN 0.585 nan 8.380 nan 0.000 0.459 135 A N -0.627 122.134 122.820 -0.098 0.000 3.453 135 A HA 0.338 4.659 4.320 0.001 0.000 0.262 135 A C -0.276 177.271 177.584 -0.063 0.000 1.026 135 A CA -0.488 51.523 52.037 -0.044 0.000 0.938 135 A CB -0.685 18.290 19.000 -0.043 0.000 1.246 135 A HN 0.074 nan 8.150 nan 0.000 0.546 136 F N -0.247 119.782 119.950 0.132 0.000 2.710 136 F HA 0.192 4.719 4.527 0.001 0.000 0.298 136 F C 1.346 177.252 175.800 0.177 0.000 1.137 136 F CA 0.999 59.098 58.000 0.165 0.000 1.444 136 F CB 0.307 39.403 39.000 0.160 0.000 1.111 136 F HN 0.409 nan 8.300 nan 0.000 0.580 137 L N -0.176 121.191 121.223 0.239 0.000 2.928 137 L HA 0.130 4.471 4.340 0.001 0.000 0.246 137 L C 1.437 178.257 176.870 -0.083 0.000 1.239 137 L CA -0.238 54.658 54.840 0.093 0.000 1.035 137 L CB -0.015 42.082 42.059 0.063 0.000 1.360 137 L HN 0.070 nan 8.230 nan 0.000 0.529 138 I N 0.077 120.602 120.570 -0.075 0.000 2.277 138 I HA -0.177 3.993 4.170 0.001 0.000 0.243 138 I C 1.866 177.815 176.117 -0.280 0.000 1.094 138 I CA 1.500 62.676 61.300 -0.206 0.000 1.393 138 I CB -0.777 37.157 38.000 -0.110 0.000 1.078 138 I HN 0.422 nan 8.210 nan 0.000 0.417 139 N N 0.069 118.688 118.700 -0.135 0.000 2.244 139 N HA -0.135 4.606 4.740 0.001 0.000 0.183 139 N C 1.642 177.034 175.510 -0.198 0.000 1.016 139 N CA 1.610 54.588 53.050 -0.121 0.000 0.866 139 N CB 0.023 38.513 38.487 0.005 0.000 0.980 139 N HN 0.310 nan 8.380 nan 0.000 0.430 140 T N 1.289 115.715 114.554 -0.214 0.000 2.746 140 T HA -0.122 4.229 4.350 0.001 0.000 0.267 140 T C 1.865 176.346 174.700 -0.365 0.000 1.039 140 T CA 0.730 62.664 62.100 -0.275 0.000 1.142 140 T CB -0.280 68.424 68.868 -0.274 0.000 0.866 140 T HN 0.140 nan 8.240 nan 0.000 0.444 141 L N 1.243 122.179 121.223 -0.478 0.000 2.056 141 L HA 0.070 4.411 4.340 0.001 0.000 0.207 141 L C 2.305 178.606 176.870 -0.947 0.000 1.078 141 L CA 1.862 56.270 54.840 -0.720 0.000 0.749 141 L CB -0.503 41.005 42.059 -0.919 0.000 0.901 141 L HN 0.079 nan 8.230 nan 0.000 0.433 142 K N -0.253 119.577 120.400 -0.951 0.000 2.001 142 K HA -0.257 4.064 4.320 0.001 0.000 0.208 142 K C 2.345 178.739 176.600 -0.343 0.000 1.048 142 K CA 1.773 57.620 56.287 -0.733 0.000 0.932 142 K CB -0.208 32.133 32.500 -0.267 0.000 0.715 142 K HN 0.221 nan 8.250 nan 0.000 0.437 143 K N -0.185 120.057 120.400 -0.264 0.000 2.113 143 K HA -0.144 4.177 4.320 0.001 0.000 0.208 143 K C 1.726 178.191 176.600 -0.226 0.000 1.047 143 K CA 2.137 58.315 56.287 -0.181 0.000 0.928 143 K CB -0.049 32.359 32.500 -0.153 0.000 0.716 143 K HN 0.246 nan 8.250 nan 0.000 0.446 144 T N 1.091 115.446 114.554 -0.331 0.000 2.770 144 T HA -0.038 4.313 4.350 0.001 0.000 0.263 144 T C 1.699 176.130 174.700 -0.448 0.000 1.039 144 T CA 1.001 62.869 62.100 -0.386 0.000 1.142 144 T CB -0.019 68.554 68.868 -0.491 0.000 0.868 144 T HN 0.092 nan 8.240 nan 0.000 0.435 145 I N 1.299 121.584 120.570 -0.474 0.000 2.252 145 I HA -0.077 4.093 4.170 0.001 0.000 0.245 145 I C 2.547 178.571 176.117 -0.155 0.000 1.102 145 I CA 1.013 62.126 61.300 -0.312 0.000 1.385 145 I CB -1.271 36.633 38.000 -0.160 0.000 1.064 145 I HN 0.116 nan 8.210 nan 0.000 0.414 146 V N 0.880 120.723 119.914 -0.118 0.000 2.343 146 V HA -0.237 3.884 4.120 0.001 0.000 0.247 146 V C 2.440 178.456 176.094 -0.130 0.000 1.051 146 V CA 1.643 63.897 62.300 -0.077 0.000 1.036 146 V CB -0.632 31.211 31.823 0.033 0.000 0.654 146 V HN 0.419 nan 8.190 nan 0.000 0.451 147 E N -0.293 119.820 120.200 -0.145 0.000 2.107 147 E HA -0.166 4.185 4.350 0.001 0.000 0.191 147 E C 2.418 178.962 176.600 -0.093 0.000 0.982 147 E CA 1.250 57.566 56.400 -0.140 0.000 0.809 147 E CB -0.173 29.451 29.700 -0.127 0.000 0.756 147 E HN 0.527 nan 8.360 nan 0.000 0.459 148 S N 0.359 116.016 115.700 -0.072 0.000 2.382 148 S HA -0.149 4.321 4.470 0.001 0.000 0.228 148 S C 2.013 176.606 174.600 -0.012 0.000 1.027 148 S CA 1.169 59.379 58.200 0.016 0.000 0.991 148 S CB -0.034 63.265 63.200 0.165 0.000 0.823 148 S HN 0.320 nan 8.310 nan 0.000 0.469 149 A N 0.406 123.186 122.820 -0.067 0.000 1.930 149 A HA 0.030 4.351 4.320 0.001 0.000 0.215 149 A C 2.299 179.796 177.584 -0.145 0.000 1.176 149 A CA 1.836 53.803 52.037 -0.115 0.000 0.632 149 A CB -1.329 17.568 19.000 -0.172 0.000 0.819 149 A HN 0.584 nan 8.150 nan 0.000 0.445 150 T N 0.990 115.465 114.554 -0.132 0.000 2.833 150 T HA -0.132 4.219 4.350 0.001 0.000 0.269 150 T C 1.707 176.423 174.700 0.027 0.000 1.054 150 T CA 1.544 63.609 62.100 -0.058 0.000 1.135 150 T CB -0.328 68.427 68.868 -0.188 0.000 0.869 150 T HN 0.483 nan 8.240 nan 0.000 0.466 151 N N 1.325 120.022 118.700 -0.005 0.000 2.182 151 N HA 0.043 4.783 4.740 0.001 0.000 0.186 151 N C 1.846 177.380 175.510 0.039 0.000 1.036 151 N CA 0.607 53.676 53.050 0.033 0.000 0.850 151 N CB -0.653 37.852 38.487 0.031 0.000 1.010 151 N HN 0.321 nan 8.380 nan 0.000 0.432 152 N N 0.549 119.257 118.700 0.014 0.000 2.132 152 N HA -0.131 4.610 4.740 0.001 0.000 0.191 152 N C 1.193 176.715 175.510 0.020 0.000 1.015 152 N CA 1.593 54.651 53.050 0.015 0.000 0.864 152 N CB -0.161 38.322 38.487 -0.006 0.000 1.006 152 N HN 0.319 nan 8.380 nan 0.000 0.430 153 T N 1.568 116.107 114.554 -0.024 0.000 2.812 153 T HA 0.040 4.391 4.350 0.001 0.000 0.264 153 T C 2.098 176.821 174.700 0.039 0.000 1.042 153 T CA 0.441 62.509 62.100 -0.053 0.000 1.140 153 T CB -0.078 68.601 68.868 -0.314 0.000 0.870 153 T HN 0.172 nan 8.240 nan 0.000 0.445 154 L N 0.942 122.209 121.223 0.074 0.000 2.362 154 L HA -0.004 4.336 4.340 0.001 0.000 0.219 154 L C 2.624 179.553 176.870 0.098 0.000 1.134 154 L CA 0.764 55.630 54.840 0.042 0.000 0.807 154 L CB -0.440 41.603 42.059 -0.028 0.000 0.927 154 L HN 0.159 nan 8.230 nan 0.000 0.447 155 E N -0.245 120.029 120.200 0.124 0.000 2.208 155 E HA -0.092 4.259 4.350 0.001 0.000 0.193 155 E C 2.312 179.013 176.600 0.170 0.000 0.988 155 E CA 0.900 57.384 56.400 0.139 0.000 0.828 155 E CB 0.000 29.765 29.700 0.108 0.000 0.763 155 E HN 0.377 nan 8.360 nan 0.000 0.478 156 S N 0.442 116.278 115.700 0.227 0.000 2.406 156 S HA -0.012 4.459 4.470 0.001 0.000 0.228 156 S C 1.275 176.097 174.600 0.370 0.000 1.020 156 S CA 0.425 58.793 58.200 0.281 0.000 0.965 156 S CB -0.138 63.255 63.200 0.321 0.000 0.798 156 S HN 0.142 nan 8.310 nan 0.000 0.488 157 F N 1.884 121.904 119.950 0.116 0.000 2.773 157 F HA 0.334 4.862 4.527 0.001 0.000 0.304 157 F C 1.898 177.711 175.800 0.020 0.000 1.129 157 F CA -0.795 57.285 58.000 0.134 0.000 1.378 157 F CB -0.435 38.660 39.000 0.158 0.000 1.095 157 F HN 0.042 nan 8.300 nan 0.000 0.565 158 R N 0.614 121.215 120.500 0.169 0.000 2.140 158 R HA -0.197 4.143 4.340 0.001 0.000 0.250 158 R C 0.899 177.249 176.300 0.084 0.000 1.150 158 R CA 1.951 58.110 56.100 0.099 0.000 0.966 158 R CB 0.043 30.431 30.300 0.148 0.000 0.869 158 R HN 0.184 nan 8.270 nan 0.000 0.445 159 E N -1.291 118.944 120.200 0.059 0.000 2.676 159 E HA 0.077 4.428 4.350 0.001 0.000 0.222 159 E C -0.529 176.054 176.600 -0.028 0.000 0.968 159 E CA 0.047 56.468 56.400 0.035 0.000 1.090 159 E CB 0.885 30.607 29.700 0.037 0.000 1.066 159 E HN 0.311 nan 8.360 nan 0.000 0.496 160 N N 0.513 119.171 118.700 -0.070 0.000 2.541 160 N HA 0.170 4.911 4.740 0.001 0.000 0.297 160 N C 0.632 176.033 175.510 -0.182 0.000 1.503 160 N CA 0.038 52.972 53.050 -0.192 0.000 0.919 160 N CB 0.533 38.804 38.487 -0.358 0.000 1.305 160 N HN -0.100 nan 8.380 nan 0.000 0.501 161 L N -0.320 120.883 121.223 -0.035 0.000 2.240 161 L HA 0.092 4.433 4.340 0.001 0.000 0.211 161 L C 2.033 178.934 176.870 0.052 0.000 1.106 161 L CA 0.883 55.766 54.840 0.072 0.000 0.793 161 L CB -0.210 41.887 42.059 0.063 0.000 0.927 161 L HN 0.343 nan 8.230 nan 0.000 0.446 162 N N -0.433 118.258 118.700 -0.016 0.000 2.216 162 N HA -0.060 4.681 4.740 0.001 0.000 0.183 162 N C 0.001 175.502 175.510 -0.015 0.000 1.017 162 N CA 1.107 54.152 53.050 -0.008 0.000 0.861 162 N CB 0.158 38.627 38.487 -0.029 0.000 0.986 162 N HN 0.523 nan 8.380 nan 0.000 0.428 163 D N -2.683 117.662 120.400 -0.092 0.000 2.665 163 D HA 0.204 4.845 4.640 0.001 0.000 0.287 163 D C -2.420 173.690 176.300 -0.317 0.000 1.266 163 D CA -1.053 52.881 54.000 -0.111 0.000 0.830 163 D CB 1.196 41.944 40.800 -0.085 0.000 1.356 163 D HN -0.202 nan 8.370 nan 0.000 0.437 164 P HA 0.074 nan 4.420 nan 0.000 0.203 164 P C 0.289 177.643 177.300 0.090 0.000 1.211 164 P CA 0.989 64.071 63.100 -0.031 0.000 0.913 164 P CB 0.293 31.996 31.700 0.005 0.000 0.745 165 E N -0.951 119.374 120.200 0.208 0.000 2.723 165 E HA 0.182 4.533 4.350 0.001 0.000 0.219 165 E C -0.437 176.361 176.600 0.329 0.000 1.060 165 E CA -0.342 56.188 56.400 0.217 0.000 1.291 165 E CB -0.549 29.235 29.700 0.139 0.000 1.265 165 E HN 0.166 nan 8.360 nan 0.000 0.438 166 F N 2.709 122.690 119.950 0.051 0.000 2.798 166 F HA 0.002 4.530 4.527 0.001 0.000 0.324 166 F C 1.192 177.159 175.800 0.278 0.000 1.210 166 F CA -0.823 57.243 58.000 0.111 0.000 1.379 166 F CB -0.642 38.306 39.000 -0.086 0.000 1.368 166 F HN 0.078 nan 8.300 nan 0.000 0.565 167 D N -0.944 119.619 120.400 0.272 0.000 2.348 167 D HA -0.132 4.509 4.640 0.001 0.000 0.272 167 D C 1.712 177.926 176.300 -0.144 0.000 1.237 167 D CA -0.141 53.952 54.000 0.155 0.000 1.042 167 D CB -0.392 40.515 40.800 0.179 0.000 1.117 167 D HN 0.316 nan 8.370 nan 0.000 0.548 168 Y N -0.679 119.273 120.300 -0.579 0.000 2.293 168 Y HA 0.009 4.560 4.550 0.001 0.000 0.291 168 Y C 1.560 177.410 175.900 -0.082 0.000 1.137 168 Y CA 1.184 58.806 58.100 -0.796 0.000 1.202 168 Y CB -1.008 37.078 38.460 -0.623 0.000 0.990 168 Y HN 0.092 nan 8.280 nan 0.000 0.537 169 N N 0.840 119.095 118.700 -0.742 0.000 2.453 169 N HA -0.117 4.624 4.740 0.001 0.000 0.183 169 N C 1.530 176.933 175.510 -0.177 0.000 1.041 169 N CA 1.272 54.013 53.050 -0.515 0.000 0.900 169 N CB -0.150 38.038 38.487 -0.500 0.000 0.961 169 N HN 0.453 nan 8.380 nan 0.000 0.443 170 K N -0.321 120.017 120.400 -0.103 0.000 2.211 170 K HA 0.092 4.413 4.320 0.001 0.000 0.201 170 K C 1.681 178.300 176.600 0.031 0.000 1.052 170 K CA 0.291 56.557 56.287 -0.034 0.000 0.973 170 K CB -0.417 32.053 32.500 -0.050 0.000 0.766 170 K HN -0.013 nan 8.250 nan 0.000 0.466 171 F N 0.390 120.236 119.950 -0.174 0.000 2.075 171 F HA -0.163 4.365 4.527 0.001 0.000 0.297 171 F C 1.417 177.050 175.800 -0.278 0.000 1.113 171 F CA 1.715 59.513 58.000 -0.336 0.000 1.218 171 F CB -0.539 38.188 39.000 -0.456 0.000 0.984 171 F HN 0.057 nan 8.300 nan 0.000 0.472 172 Y N 0.136 120.345 120.300 -0.152 0.000 2.333 172 Y HA -0.168 4.383 4.550 0.001 0.000 0.290 172 Y C 2.565 178.334 175.900 -0.218 0.000 1.144 172 Y CA 1.091 59.077 58.100 -0.191 0.000 1.228 172 Y CB -0.421 38.044 38.460 0.007 0.000 0.985 172 Y HN -0.078 nan 8.280 nan 0.000 0.542 173 R N 0.497 120.975 120.500 -0.037 0.000 2.070 173 R HA -0.117 4.224 4.340 0.001 0.000 0.233 173 R C 1.926 178.151 176.300 -0.125 0.000 1.137 173 R CA 1.248 57.312 56.100 -0.059 0.000 0.945 173 R CB -0.379 29.898 30.300 -0.038 0.000 0.845 173 R HN 0.243 nan 8.270 nan 0.000 0.430 174 K N 0.238 120.541 120.400 -0.162 0.000 2.296 174 K HA -0.023 4.298 4.320 0.001 0.000 0.200 174 K C 2.020 178.454 176.600 -0.277 0.000 1.048 174 K CA 0.404 56.596 56.287 -0.157 0.000 0.966 174 K CB -0.035 32.433 32.500 -0.054 0.000 0.754 174 K HN 0.134 nan 8.250 nan 0.000 0.466 175 R N 0.466 120.686 120.500 -0.468 0.000 2.073 175 R HA -0.032 4.308 4.340 0.001 0.000 0.229 175 R C 2.269 178.344 176.300 -0.374 0.000 1.120 175 R CA 1.034 56.815 56.100 -0.531 0.000 0.967 175 R CB -0.102 29.676 30.300 -0.870 0.000 0.862 175 R HN -0.023 nan 8.270 nan 0.000 0.436 176 M N 1.502 120.892 119.600 -0.350 0.000 2.108 176 M HA -0.159 4.322 4.480 0.001 0.000 0.261 176 M C 1.504 177.474 176.300 -0.550 0.000 1.066 176 M CA 1.792 56.816 55.300 -0.461 0.000 1.107 176 M CB -0.148 32.150 32.600 -0.504 0.000 1.356 176 M HN 0.135 nan 8.290 nan 0.000 0.406 177 E N -0.493 119.474 120.200 -0.388 0.000 2.171 177 E HA -0.214 4.137 4.350 0.001 0.000 0.197 177 E C 1.693 178.254 176.600 -0.066 0.000 0.997 177 E CA 1.362 57.660 56.400 -0.170 0.000 0.810 177 E CB -0.145 29.529 29.700 -0.044 0.000 0.738 177 E HN 0.493 nan 8.360 nan 0.000 0.467 178 I N 0.102 120.597 120.570 -0.126 0.000 2.731 178 I HA -0.089 4.082 4.170 0.001 0.000 0.260 178 I C 2.243 178.299 176.117 -0.102 0.000 1.138 178 I CA 0.586 61.841 61.300 -0.076 0.000 1.461 178 I CB -0.786 37.161 38.000 -0.088 0.000 1.128 178 I HN 0.114 nan 8.210 nan 0.000 0.438 179 I N 0.546 120.983 120.570 -0.222 0.000 2.151 179 I HA -0.397 3.774 4.170 0.001 0.000 0.243 179 I C 2.728 178.697 176.117 -0.247 0.000 1.080 179 I CA 1.890 62.996 61.300 -0.322 0.000 1.339 179 I CB -0.591 37.007 38.000 -0.669 0.000 1.039 179 I HN 0.145 nan 8.210 nan 0.000 0.409 180 Y N 2.011 122.129 120.300 -0.303 0.000 2.070 180 Y HA -0.355 4.196 4.550 0.001 0.000 0.280 180 Y C 2.345 178.239 175.900 -0.010 0.000 1.148 180 Y CA 2.064 60.088 58.100 -0.125 0.000 1.125 180 Y CB -0.375 38.095 38.460 0.016 0.000 0.975 180 Y HN 0.193 nan 8.280 nan 0.000 0.492 181 D N 0.123 120.587 120.400 0.106 0.000 2.116 181 D HA -0.201 4.440 4.640 0.001 0.000 0.193 181 D C 2.071 178.397 176.300 0.043 0.000 0.998 181 D CA 1.891 55.940 54.000 0.081 0.000 0.836 181 D CB -0.250 40.620 40.800 0.118 0.000 0.951 181 D HN 0.413 nan 8.370 nan 0.000 0.449 182 K N 0.244 120.676 120.400 0.053 0.000 2.097 182 K HA -0.135 4.186 4.320 0.001 0.000 0.205 182 K C 2.198 178.927 176.600 0.215 0.000 1.050 182 K CA 0.754 57.130 56.287 0.150 0.000 0.938 182 K CB -0.080 32.507 32.500 0.145 0.000 0.718 182 K HN 0.162 nan 8.250 nan 0.000 0.442 183 Q N 1.441 121.274 119.800 0.055 0.000 2.079 183 Q HA -0.195 4.146 4.340 0.001 0.000 0.200 183 Q C 2.050 178.033 176.000 -0.028 0.000 0.974 183 Q CA 1.566 57.379 55.803 0.017 0.000 0.840 183 Q CB 0.092 28.632 28.738 -0.330 0.000 0.898 183 Q HN 0.129 nan 8.270 nan 0.000 0.430 184 K N -0.613 119.655 120.400 -0.220 0.000 2.211 184 K HA -0.215 4.106 4.320 0.001 0.000 0.203 184 K C 2.155 178.763 176.600 0.014 0.000 1.050 184 K CA 1.190 57.355 56.287 -0.204 0.000 0.945 184 K CB -0.237 32.017 32.500 -0.410 0.000 0.732 184 K HN 0.353 nan 8.250 nan 0.000 0.451 185 H N -0.247 118.856 119.070 0.055 0.000 2.321 185 H HA -0.180 4.377 4.556 0.001 0.000 0.300 185 H C 1.852 177.309 175.328 0.215 0.000 1.087 185 H CA 2.005 58.155 56.048 0.170 0.000 1.319 185 H CB -0.168 29.743 29.762 0.249 0.000 1.379 185 H HN 0.315 nan 8.280 nan 0.000 0.501 186 F N 1.242 121.289 119.950 0.162 0.000 2.134 186 F HA -0.126 4.402 4.527 0.001 0.000 0.299 186 F C 2.444 178.235 175.800 -0.016 0.000 1.097 186 F CA 1.173 59.051 58.000 -0.204 0.000 1.264 186 F CB -0.714 38.143 39.000 -0.239 0.000 1.001 186 F HN 0.062 nan 8.300 nan 0.000 0.479 187 I N 0.386 120.862 120.570 -0.157 0.000 2.286 187 I HA -0.296 3.874 4.170 0.001 0.000 0.248 187 I C 2.056 178.085 176.117 -0.145 0.000 1.115 187 I CA 1.490 62.674 61.300 -0.194 0.000 1.392 187 I CB -0.601 37.364 38.000 -0.059 0.000 1.065 187 I HN 0.145 nan 8.210 nan 0.000 0.418 188 D N -0.030 120.302 120.400 -0.113 0.000 2.117 188 D HA -0.221 4.420 4.640 0.001 0.000 0.198 188 D C 1.944 178.184 176.300 -0.101 0.000 0.982 188 D CA 1.317 55.257 54.000 -0.099 0.000 0.828 188 D CB -0.220 40.528 40.800 -0.087 0.000 0.967 188 D HN 0.352 nan 8.370 nan 0.000 0.464 189 Y N 0.752 120.925 120.300 -0.211 0.000 2.145 189 Y HA -0.323 4.228 4.550 0.001 0.000 0.286 189 Y C 2.336 178.149 175.900 -0.146 0.000 1.145 189 Y CA 1.528 59.551 58.100 -0.128 0.000 1.148 189 Y CB -0.680 37.789 38.460 0.014 0.000 0.981 189 Y HN -0.010 nan 8.280 nan 0.000 0.507 190 Y N 1.125 121.124 120.300 -0.502 0.000 2.128 190 Y HA -0.221 4.330 4.550 0.001 0.000 0.284 190 Y C 2.236 177.942 175.900 -0.324 0.000 1.154 190 Y CA 2.252 60.051 58.100 -0.503 0.000 1.149 190 Y CB -0.583 37.458 38.460 -0.699 0.000 0.976 190 Y HN 0.055 nan 8.280 nan 0.000 0.505 191 K N -0.400 119.710 120.400 -0.485 0.000 2.097 191 K HA -0.174 4.147 4.320 0.001 0.000 0.206 191 K C 2.578 178.972 176.600 -0.344 0.000 1.049 191 K CA 1.327 57.332 56.287 -0.470 0.000 0.933 191 K CB -0.357 31.991 32.500 -0.254 0.000 0.717 191 K HN 0.330 nan 8.250 nan 0.000 0.442 192 S N 0.682 116.209 115.700 -0.287 0.000 2.356 192 S HA -0.168 4.303 4.470 0.001 0.000 0.223 192 S C 1.977 176.439 174.600 -0.230 0.000 1.032 192 S CA 1.162 59.229 58.200 -0.222 0.000 1.005 192 S CB -0.053 63.035 63.200 -0.188 0.000 0.867 192 S HN 0.216 nan 8.310 nan 0.000 0.449 193 Q N 0.149 119.753 119.800 -0.326 0.000 2.124 193 Q HA -0.028 4.313 4.340 0.001 0.000 0.202 193 Q C 2.129 178.102 176.000 -0.045 0.000 0.977 193 Q CA 1.073 56.774 55.803 -0.170 0.000 0.850 193 Q CB -0.566 28.010 28.738 -0.270 0.000 0.901 193 Q HN 0.576 nan 8.270 nan 0.000 0.429 194 I N 0.956 121.401 120.570 -0.209 0.000 2.761 194 I HA -0.189 3.981 4.170 0.001 0.000 0.261 194 I C 2.213 178.227 176.117 -0.172 0.000 1.198 194 I CA 0.923 62.106 61.300 -0.195 0.000 1.482 194 I CB -0.002 37.757 38.000 -0.402 0.000 1.100 194 I HN 0.098 nan 8.210 nan 0.000 0.445 195 E N 0.782 120.876 120.200 -0.178 0.000 2.076 195 E HA -0.186 4.165 4.350 0.001 0.000 0.190 195 E C 1.971 178.497 176.600 -0.123 0.000 0.979 195 E CA 1.488 57.805 56.400 -0.139 0.000 0.807 195 E CB -0.259 29.364 29.700 -0.128 0.000 0.761 195 E HN 0.474 nan 8.360 nan 0.000 0.454 196 E N -0.283 119.850 120.200 -0.112 0.000 2.058 196 E HA -0.146 4.205 4.350 0.001 0.000 0.194 196 E C 0.199 176.678 176.600 -0.201 0.000 0.997 196 E CA 1.060 57.395 56.400 -0.108 0.000 0.801 196 E CB 0.008 29.684 29.700 -0.039 0.000 0.746 196 E HN 0.067 nan 8.360 nan 0.000 0.450 197 N N -1.149 117.389 118.700 -0.270 0.000 2.664 197 N HA 0.109 4.850 4.740 0.001 0.000 0.268 197 N C -2.499 172.838 175.510 -0.289 0.000 1.222 197 N CA -1.485 51.281 53.050 -0.472 0.000 0.805 197 N CB 1.420 39.158 38.487 -1.250 0.000 1.399 197 N HN -0.264 nan 8.380 nan 0.000 0.547 198 P HA -0.044 nan 4.420 nan 0.000 0.221 198 P C 0.623 177.894 177.300 -0.048 0.000 1.145 198 P CA 1.107 64.150 63.100 -0.095 0.000 0.795 198 P CB 0.560 32.207 31.700 -0.087 0.000 0.775 199 E N -1.932 118.214 120.200 -0.091 0.000 2.285 199 E HA -0.040 4.311 4.350 0.001 0.000 0.194 199 E C 0.327 176.990 176.600 0.105 0.000 0.997 199 E CA -0.063 56.325 56.400 -0.021 0.000 0.845 199 E CB -0.204 29.460 29.700 -0.061 0.000 0.782 199 E HN 0.152 nan 8.360 nan 0.000 0.491 200 F N 1.069 121.027 119.950 0.014 0.000 2.646 200 F HA -0.029 4.499 4.527 0.001 0.000 0.363 200 F C 0.868 176.708 175.800 0.066 0.000 1.143 200 F CA 0.024 58.045 58.000 0.036 0.000 1.356 200 F CB 0.075 39.088 39.000 0.022 0.000 1.055 200 F HN -0.152 nan 8.300 nan 0.000 0.606 201 I N 4.554 125.289 120.570 0.275 0.000 2.392 201 I HA 0.144 4.315 4.170 0.001 0.000 0.295 201 I C 1.247 177.459 176.117 0.159 0.000 0.985 201 I CA -0.483 60.926 61.300 0.181 0.000 1.221 201 I CB 1.427 39.516 38.000 0.149 0.000 1.366 201 I HN 0.521 nan 8.210 nan 0.000 0.467 202 I N 3.463 124.135 120.570 0.169 0.000 2.151 202 I HA -0.309 3.862 4.170 0.001 0.000 0.243 202 I C 1.712 177.922 176.117 0.156 0.000 1.080 202 I CA 1.578 62.982 61.300 0.174 0.000 1.339 202 I CB -0.240 37.833 38.000 0.123 0.000 1.039 202 I HN 0.680 nan 8.210 nan 0.000 0.409 203 D N 0.611 121.092 120.400 0.134 0.000 2.144 203 D HA -0.144 4.496 4.640 0.001 0.000 0.199 203 D C 1.935 178.311 176.300 0.126 0.000 0.984 203 D CA 1.019 55.102 54.000 0.138 0.000 0.834 203 D CB -0.363 40.541 40.800 0.175 0.000 0.955 203 D HN 0.309 nan 8.370 nan 0.000 0.465 204 N N 0.323 119.082 118.700 0.099 0.000 2.142 204 N HA -0.068 4.672 4.740 0.001 0.000 0.186 204 N C 2.060 177.606 175.510 0.060 0.000 1.023 204 N CA 0.430 53.506 53.050 0.044 0.000 0.852 204 N CB -0.232 38.231 38.487 -0.040 0.000 0.998 204 N HN 0.303 nan 8.380 nan 0.000 0.424 205 I N 0.748 121.381 120.570 0.104 0.000 2.179 205 I HA -0.205 3.966 4.170 0.001 0.000 0.242 205 I C 1.981 178.340 176.117 0.403 0.000 1.088 205 I CA 0.879 62.326 61.300 0.244 0.000 1.357 205 I CB -0.202 37.957 38.000 0.266 0.000 1.051 205 I HN 0.032 nan 8.210 nan 0.000 0.409 206 I N 1.272 122.033 120.570 0.318 0.000 2.226 206 I HA -0.326 3.845 4.170 0.001 0.000 0.245 206 I C 2.694 178.933 176.117 0.203 0.000 1.100 206 I CA 1.636 63.088 61.300 0.253 0.000 1.374 206 I CB -0.352 37.687 38.000 0.066 0.000 1.057 206 I HN 0.297 nan 8.210 nan 0.000 0.413 207 K N 0.112 120.602 120.400 0.150 0.000 2.103 207 K HA -0.083 4.238 4.320 0.001 0.000 0.204 207 K C 1.907 178.572 176.600 0.109 0.000 1.052 207 K CA 1.681 58.030 56.287 0.103 0.000 0.945 207 K CB -0.778 31.769 32.500 0.080 0.000 0.722 207 K HN 0.113 nan 8.250 nan 0.000 0.443 208 T N 0.745 115.384 114.554 0.142 0.000 2.720 208 T HA -0.205 4.145 4.350 0.001 0.000 0.268 208 T C 1.511 176.273 174.700 0.103 0.000 1.037 208 T CA 1.595 63.771 62.100 0.128 0.000 1.144 208 T CB -0.432 68.543 68.868 0.178 0.000 0.864 208 T HN 0.374 nan 8.240 nan 0.000 0.444 209 Y N 1.228 121.557 120.300 0.048 0.000 2.220 209 Y HA 0.061 4.611 4.550 0.001 0.000 0.291 209 Y C 2.042 177.959 175.900 0.028 0.000 1.129 209 Y CA 0.995 59.065 58.100 -0.050 0.000 1.161 209 Y CB -0.315 38.222 38.460 0.128 0.000 0.997 209 Y HN 0.094 nan 8.280 nan 0.000 0.522 210 L N -1.007 120.310 121.223 0.157 0.000 2.201 210 L HA -0.198 4.143 4.340 0.001 0.000 0.212 210 L C 2.639 179.516 176.870 0.011 0.000 1.105 210 L CA 1.590 56.475 54.840 0.075 0.000 0.775 210 L CB -0.518 41.556 42.059 0.026 0.000 0.913 210 L HN 0.236 nan 8.230 nan 0.000 0.440 211 S N -0.539 115.154 115.700 -0.013 0.000 2.439 211 S HA -0.047 4.424 4.470 0.001 0.000 0.224 211 S C 1.709 176.262 174.600 -0.078 0.000 1.029 211 S CA 0.543 58.724 58.200 -0.031 0.000 0.946 211 S CB 0.011 63.205 63.200 -0.010 0.000 0.797 211 S HN 0.415 nan 8.310 nan 0.000 0.504 212 N N 1.587 120.210 118.700 -0.129 0.000 2.109 212 N HA 0.018 4.759 4.740 0.001 0.000 0.188 212 N C 1.639 176.997 175.510 -0.252 0.000 1.034 212 N CA 1.211 54.156 53.050 -0.175 0.000 0.846 212 N CB -0.301 38.066 38.487 -0.201 0.000 1.010 212 N HN 0.462 nan 8.380 nan 0.000 0.425 213 E N -0.768 119.198 120.200 -0.390 0.000 2.216 213 E HA 0.053 4.404 4.350 0.001 0.000 0.192 213 E C 0.648 176.887 176.600 -0.601 0.000 0.973 213 E CA 0.531 56.606 56.400 -0.541 0.000 0.851 213 E CB 0.081 29.290 29.700 -0.818 0.000 0.804 213 E HN 0.464 nan 8.360 nan 0.000 0.477 214 Y N 0.151 120.303 120.300 -0.247 0.000 2.557 214 Y HA 0.205 4.755 4.550 0.001 0.000 0.247 214 Y C 0.678 176.504 175.900 -0.123 0.000 1.164 214 Y CA -0.199 57.803 58.100 -0.162 0.000 1.218 214 Y CB 0.922 39.297 38.460 -0.141 0.000 1.210 214 Y HN -0.221 nan 8.280 nan 0.000 0.529 215 S N 1.588 117.268 115.700 -0.033 0.000 3.550 215 S HA -0.190 4.280 4.470 0.001 0.000 0.372 215 S C 0.065 174.658 174.600 -0.012 0.000 0.966 215 S CA 0.144 58.323 58.200 -0.035 0.000 1.229 215 S CB -0.952 62.218 63.200 -0.050 0.000 0.917 215 S HN 0.228 nan 8.310 nan 0.000 0.496 216 K N 1.555 121.953 120.400 -0.004 0.000 2.154 216 K HA 0.161 4.482 4.320 0.001 0.000 0.264 216 K C 0.059 176.651 176.600 -0.015 0.000 1.008 216 K CA -0.409 55.869 56.287 -0.015 0.000 0.937 216 K CB 0.670 33.154 32.500 -0.027 0.000 1.002 216 K HN 0.590 nan 8.250 nan 0.000 0.469 217 D N 2.242 122.633 120.400 -0.016 0.000 2.339 217 D HA 0.035 4.676 4.640 0.001 0.000 0.256 217 D C 1.184 177.484 176.300 -0.001 0.000 1.214 217 D CA -0.061 53.934 54.000 -0.009 0.000 0.877 217 D CB 0.489 41.283 40.800 -0.010 0.000 1.111 217 D HN 0.355 nan 8.370 nan 0.000 0.478 218 L N 3.152 124.378 121.223 0.006 0.000 2.051 218 L HA -0.195 4.146 4.340 0.001 0.000 0.214 218 L C 2.254 179.137 176.870 0.021 0.000 1.076 218 L CA 1.630 56.480 54.840 0.017 0.000 0.758 218 L CB -0.368 41.702 42.059 0.018 0.000 0.890 218 L HN 0.656 nan 8.230 nan 0.000 0.433 219 E N -0.129 120.080 120.200 0.016 0.000 2.031 219 E HA -0.254 4.097 4.350 0.001 0.000 0.193 219 E C 2.191 178.805 176.600 0.023 0.000 0.994 219 E CA 1.258 57.669 56.400 0.018 0.000 0.800 219 E CB -0.105 29.602 29.700 0.012 0.000 0.752 219 E HN 0.451 nan 8.360 nan 0.000 0.447 220 A N 0.819 123.650 122.820 0.019 0.000 1.972 220 A HA -0.119 4.202 4.320 0.001 0.000 0.219 220 A C 2.196 179.810 177.584 0.050 0.000 1.169 220 A CA 1.031 53.083 52.037 0.026 0.000 0.635 220 A CB -0.582 18.422 19.000 0.007 0.000 0.810 220 A HN 0.333 nan 8.150 nan 0.000 0.446 221 L N -0.427 120.819 121.223 0.039 0.000 1.994 221 L HA -0.205 4.136 4.340 0.001 0.000 0.208 221 L C 2.449 179.382 176.870 0.105 0.000 1.071 221 L CA 1.361 56.238 54.840 0.062 0.000 0.745 221 L CB -0.636 41.444 42.059 0.036 0.000 0.892 221 L HN 0.407 nan 8.230 nan 0.000 0.431 222 N N 0.222 118.964 118.700 0.071 0.000 2.149 222 N HA -0.202 4.539 4.740 0.001 0.000 0.188 222 N C 1.808 177.341 175.510 0.039 0.000 1.019 222 N CA 1.324 54.409 53.050 0.059 0.000 0.857 222 N CB -0.069 38.444 38.487 0.044 0.000 0.997 222 N HN 0.323 nan 8.380 nan 0.000 0.426 223 K N -0.060 120.365 120.400 0.042 0.000 2.032 223 K HA -0.193 4.128 4.320 0.001 0.000 0.209 223 K C 2.032 178.641 176.600 0.014 0.000 1.048 223 K CA 1.255 57.556 56.287 0.022 0.000 0.927 223 K CB -0.314 32.205 32.500 0.031 0.000 0.712 223 K HN 0.196 nan 8.250 nan 0.000 0.441 224 Y N 1.493 121.758 120.300 -0.059 0.000 2.181 224 Y HA -0.215 4.336 4.550 0.001 0.000 0.288 224 Y C 1.779 177.587 175.900 -0.152 0.000 1.146 224 Y CA 1.385 59.437 58.100 -0.080 0.000 1.164 224 Y CB -0.102 38.331 38.460 -0.045 0.000 0.982 224 Y HN -0.008 nan 8.280 nan 0.000 0.515 225 I N -0.024 120.503 120.570 -0.072 0.000 2.127 225 I HA -0.322 3.849 4.170 0.001 0.000 0.241 225 I C 2.413 178.267 176.117 -0.440 0.000 1.075 225 I CA 2.012 63.164 61.300 -0.248 0.000 1.334 225 I CB -0.464 37.551 38.000 0.024 0.000 1.040 225 I HN 0.204 nan 8.210 nan 0.000 0.405 226 E N 1.169 121.232 120.200 -0.228 0.000 2.077 226 E HA -0.229 4.122 4.350 0.001 0.000 0.193 226 E C 1.975 178.415 176.600 -0.268 0.000 0.989 226 E CA 1.464 57.746 56.400 -0.196 0.000 0.800 226 E CB -0.018 29.626 29.700 -0.093 0.000 0.746 226 E HN 0.393 nan 8.360 nan 0.000 0.452 227 E N -0.233 119.796 120.200 -0.285 0.000 2.033 227 E HA -0.206 4.144 4.350 0.001 0.000 0.199 227 E C 2.202 178.550 176.600 -0.420 0.000 1.011 227 E CA 1.607 57.826 56.400 -0.300 0.000 0.815 227 E CB -0.159 29.377 29.700 -0.274 0.000 0.755 227 E HN 0.190 nan 8.360 nan 0.000 0.451 228 S N 1.180 116.480 115.700 -0.666 0.000 2.359 228 S HA -0.211 4.260 4.470 0.001 0.000 0.223 228 S C 1.987 176.196 174.600 -0.652 0.000 1.039 228 S CA 1.093 58.849 58.200 -0.741 0.000 1.042 228 S CB -0.424 62.113 63.200 -1.105 0.000 0.915 228 S HN 0.141 nan 8.310 nan 0.000 0.439 229 L N 2.736 123.467 121.223 -0.819 0.000 2.013 229 L HA -0.148 4.193 4.340 0.001 0.000 0.212 229 L C 1.846 178.573 176.870 -0.238 0.000 1.073 229 L CA 1.753 56.363 54.840 -0.384 0.000 0.753 229 L CB -0.851 41.087 42.059 -0.202 0.000 0.890 229 L HN 0.177 nan 8.230 nan 0.000 0.432 230 N N -0.276 118.289 118.700 -0.225 0.000 2.166 230 N HA -0.223 4.518 4.740 0.001 0.000 0.186 230 N C 1.854 177.274 175.510 -0.150 0.000 1.019 230 N CA 1.395 54.355 53.050 -0.150 0.000 0.856 230 N CB -0.199 38.210 38.487 -0.130 0.000 0.993 230 N HN 0.435 nan 8.380 nan 0.000 0.426 231 K N 0.253 120.539 120.400 -0.190 0.000 2.103 231 K HA -0.022 4.299 4.320 0.001 0.000 0.204 231 K C 1.811 178.318 176.600 -0.155 0.000 1.052 231 K CA 0.681 56.871 56.287 -0.162 0.000 0.945 231 K CB -0.042 32.352 32.500 -0.177 0.000 0.722 231 K HN -0.011 nan 8.250 nan 0.000 0.443 232 I N 0.567 121.014 120.570 -0.204 0.000 2.584 232 I HA -0.103 4.067 4.170 0.001 0.000 0.255 232 I C 1.663 177.663 176.117 -0.195 0.000 1.145 232 I CA 1.306 62.470 61.300 -0.228 0.000 1.462 232 I CB -0.165 37.607 38.000 -0.381 0.000 1.102 232 I HN 0.087 nan 8.210 nan 0.000 0.433 233 T N 0.916 115.365 114.554 -0.175 0.000 2.720 233 T HA -0.113 4.238 4.350 0.001 0.000 0.268 233 T C 1.685 176.361 174.700 -0.040 0.000 1.037 233 T CA 1.453 63.514 62.100 -0.063 0.000 1.144 233 T CB -0.409 68.440 68.868 -0.031 0.000 0.864 233 T HN 0.461 nan 8.240 nan 0.000 0.444 234 A N 1.149 123.932 122.820 -0.061 0.000 2.252 234 A HA 0.109 4.429 4.320 0.001 0.000 0.207 234 A C 1.077 178.633 177.584 -0.047 0.000 1.194 234 A CA 0.405 52.413 52.037 -0.048 0.000 0.809 234 A CB -0.048 18.919 19.000 -0.056 0.000 0.814 234 A HN 0.409 nan 8.150 nan 0.000 0.482 235 N N 0.072 118.741 118.700 -0.051 0.000 2.628 235 N HA 0.096 4.837 4.740 0.001 0.000 0.299 235 N C -0.755 174.733 175.510 -0.037 0.000 1.834 235 N CA -0.114 52.904 53.050 -0.053 0.000 0.871 235 N CB 0.184 38.625 38.487 -0.077 0.000 1.377 235 N HN 0.453 nan 8.380 nan 0.000 0.493 236 N N -0.422 118.270 118.700 -0.013 0.000 2.741 236 N HA -0.156 4.585 4.740 0.001 0.000 0.251 236 N C 0.476 176.003 175.510 0.029 0.000 1.112 236 N CA 0.733 53.786 53.050 0.005 0.000 0.750 236 N CB -0.776 37.707 38.487 -0.007 0.000 1.119 236 N HN 0.436 nan 8.380 nan 0.000 0.561 237 G N 0.464 109.301 108.800 0.062 0.000 2.321 237 G HA2 0.088 4.049 3.960 0.001 0.000 0.237 237 G HA3 0.088 4.049 3.960 0.001 0.000 0.237 237 G C -0.168 174.918 174.900 0.310 0.000 1.282 237 G CA 0.037 45.264 45.100 0.212 0.000 0.886 237 G HN 0.343 nan 8.290 nan 0.000 0.528 238 N N 1.649 120.534 118.700 0.308 0.000 2.524 238 N HA 0.091 4.832 4.740 0.001 0.000 0.261 238 N C -1.273 174.250 175.510 0.022 0.000 0.998 238 N CA -0.591 52.546 53.050 0.145 0.000 0.915 238 N CB 1.806 40.253 38.487 -0.066 0.000 1.187 238 N HN 0.483 nan 8.380 nan 0.000 0.507 239 D N 2.303 122.596 120.400 -0.179 0.000 2.417 239 D HA 0.052 4.693 4.640 0.001 0.000 0.250 239 D C 1.541 177.714 176.300 -0.211 0.000 1.166 239 D CA -0.264 53.401 54.000 -0.557 0.000 0.881 239 D CB 1.014 41.603 40.800 -0.351 0.000 1.164 239 D HN 0.527 nan 8.370 nan 0.000 0.467 240 I N 1.686 122.107 120.570 -0.249 0.000 2.617 240 I HA -0.004 4.166 4.170 0.001 0.000 0.256 240 I C 1.619 177.656 176.117 -0.133 0.000 1.167 240 I CA 0.302 61.502 61.300 -0.168 0.000 1.469 240 I CB -0.017 37.825 38.000 -0.263 0.000 1.098 240 I HN 0.071 nan 8.210 nan 0.000 0.436 241 R N 1.535 121.957 120.500 -0.131 0.000 2.339 241 R HA 0.023 4.364 4.340 0.001 0.000 0.199 241 R C 0.438 176.714 176.300 -0.039 0.000 1.018 241 R CA 0.535 56.594 56.100 -0.068 0.000 1.036 241 R CB -1.211 29.062 30.300 -0.044 0.000 0.899 241 R HN 0.578 nan 8.270 nan 0.000 0.473 242 N N 0.112 118.789 118.700 -0.037 0.000 2.416 242 N HA 0.217 4.958 4.740 0.001 0.000 0.267 242 N C -0.581 174.941 175.510 0.021 0.000 1.294 242 N CA -0.124 52.925 53.050 -0.002 0.000 0.891 242 N CB 0.461 38.955 38.487 0.012 0.000 1.238 242 N HN -0.056 nan 8.380 nan 0.000 0.508 243 L N -0.823 120.408 121.223 0.014 0.000 2.293 243 L HA 0.527 4.868 4.340 0.001 0.000 0.264 243 L C 0.788 177.603 176.870 -0.092 0.000 1.029 243 L CA -0.783 54.077 54.840 0.033 0.000 0.897 243 L CB 1.250 43.435 42.059 0.210 0.000 1.497 243 L HN 0.090 nan 8.230 nan 0.000 0.495 244 E N 0.114 120.154 120.200 -0.267 0.000 2.831 244 E HA 0.052 4.403 4.350 0.001 0.000 0.254 244 E C 0.612 177.027 176.600 -0.309 0.000 1.015 244 E CA -0.064 56.155 56.400 -0.301 0.000 1.016 244 E CB 0.329 29.821 29.700 -0.346 0.000 2.665 244 E HN 0.509 nan 8.360 nan 0.000 0.583 245 K N 0.680 120.795 120.400 -0.475 0.000 2.410 245 K HA 0.175 4.496 4.320 0.001 0.000 0.200 245 K C 0.444 176.950 176.600 -0.156 0.000 1.023 245 K CA 0.058 56.175 56.287 -0.282 0.000 1.149 245 K CB 0.079 32.439 32.500 -0.234 0.000 0.859 245 K HN -0.016 nan 8.250 nan 0.000 0.514 246 F N 2.351 122.257 119.950 -0.074 0.000 2.716 246 F HA 0.254 4.782 4.527 0.001 0.000 0.301 246 F C 0.527 176.244 175.800 -0.139 0.000 1.210 246 F CA -1.056 56.884 58.000 -0.101 0.000 1.422 246 F CB -0.217 38.716 39.000 -0.111 0.000 1.073 246 F HN 0.106 nan 8.300 nan 0.000 0.525 247 A N 0.075 122.904 122.820 0.015 0.000 2.402 247 A HA 0.382 4.703 4.320 0.001 0.000 0.291 247 A C -0.986 176.566 177.584 -0.054 0.000 1.051 247 A CA -0.786 51.220 52.037 -0.052 0.000 0.716 247 A CB 0.896 19.849 19.000 -0.078 0.000 1.223 247 A HN 0.054 nan 8.150 nan 0.000 0.425 248 D N 2.274 122.636 120.400 -0.063 0.000 2.264 248 D HA 0.100 4.741 4.640 0.001 0.000 0.250 248 D C 0.841 177.107 176.300 -0.058 0.000 1.113 248 D CA -0.085 53.880 54.000 -0.058 0.000 0.871 248 D CB 1.379 42.140 40.800 -0.065 0.000 1.167 248 D HN 0.697 nan 8.370 nan 0.000 0.447 249 E N 2.627 122.798 120.200 -0.048 0.000 2.058 249 E HA -0.209 4.142 4.350 0.001 0.000 0.194 249 E C 0.818 177.393 176.600 -0.041 0.000 0.997 249 E CA 1.310 57.685 56.400 -0.041 0.000 0.801 249 E CB 0.295 29.974 29.700 -0.036 0.000 0.746 249 E HN 0.524 nan 8.360 nan 0.000 0.450 250 D N 0.229 120.601 120.400 -0.048 0.000 2.144 250 D HA -0.146 4.495 4.640 0.001 0.000 0.200 250 D C 1.986 178.241 176.300 -0.075 0.000 0.978 250 D CA 0.556 54.523 54.000 -0.054 0.000 0.833 250 D CB -0.067 40.702 40.800 -0.052 0.000 0.961 250 D HN 0.173 nan 8.370 nan 0.000 0.470 251 L N 0.693 121.867 121.223 -0.081 0.000 2.093 251 L HA -0.107 4.234 4.340 0.001 0.000 0.208 251 L C 2.340 179.172 176.870 -0.063 0.000 1.085 251 L CA 1.033 55.814 54.840 -0.100 0.000 0.755 251 L CB -0.354 41.642 42.059 -0.105 0.000 0.904 251 L HN -0.136 nan 8.230 nan 0.000 0.435 252 V N -0.771 119.119 119.914 -0.040 0.000 2.548 252 V HA -0.218 3.903 4.120 0.001 0.000 0.249 252 V C 2.677 178.804 176.094 0.054 0.000 1.055 252 V CA 1.554 63.864 62.300 0.016 0.000 1.065 252 V CB -0.676 31.140 31.823 -0.011 0.000 0.681 252 V HN 0.439 nan 8.190 nan 0.000 0.462 253 R N -0.171 120.329 120.500 -0.000 0.000 2.075 253 R HA -0.079 4.262 4.340 0.001 0.000 0.232 253 R C 2.234 178.510 176.300 -0.040 0.000 1.126 253 R CA 1.396 57.492 56.100 -0.006 0.000 0.963 253 R CB -0.153 30.134 30.300 -0.023 0.000 0.858 253 R HN 0.435 nan 8.270 nan 0.000 0.435 254 L N -0.581 120.579 121.223 -0.106 0.000 2.109 254 L HA -0.155 4.186 4.340 0.001 0.000 0.207 254 L C 2.348 179.111 176.870 -0.179 0.000 1.086 254 L CA 0.973 55.666 54.840 -0.244 0.000 0.760 254 L CB -0.637 41.145 42.059 -0.462 0.000 0.910 254 L HN 0.242 nan 8.230 nan 0.000 0.437 255 Y N 1.508 121.694 120.300 -0.190 0.000 2.097 255 Y HA -0.289 4.262 4.550 0.001 0.000 0.282 255 Y C 2.529 178.375 175.900 -0.089 0.000 1.152 255 Y CA 1.787 59.802 58.100 -0.143 0.000 1.136 255 Y CB -0.368 38.015 38.460 -0.129 0.000 0.975 255 Y HN 0.183 nan 8.280 nan 0.000 0.498 256 N N 0.583 119.208 118.700 -0.124 0.000 2.166 256 N HA -0.246 4.495 4.740 0.001 0.000 0.186 256 N C 1.936 177.357 175.510 -0.148 0.000 1.019 256 N CA 1.597 54.548 53.050 -0.165 0.000 0.856 256 N CB -0.575 37.940 38.487 0.045 0.000 0.993 256 N HN 0.704 nan 8.380 nan 0.000 0.426 257 Q N 1.103 120.849 119.800 -0.089 0.000 2.061 257 Q HA -0.158 4.183 4.340 0.001 0.000 0.204 257 Q C 1.286 177.247 176.000 -0.065 0.000 0.984 257 Q CA 1.407 57.185 55.803 -0.040 0.000 0.846 257 Q CB 0.059 28.793 28.738 -0.007 0.000 0.902 257 Q HN 0.238 nan 8.270 nan 0.000 0.421 258 E N 0.241 120.375 120.200 -0.109 0.000 2.158 258 E HA -0.117 4.234 4.350 0.001 0.000 0.191 258 E C 2.045 178.556 176.600 -0.148 0.000 0.982 258 E CA 0.549 56.893 56.400 -0.093 0.000 0.823 258 E CB -0.089 29.568 29.700 -0.071 0.000 0.766 258 E HN 0.354 nan 8.360 nan 0.000 0.468 259 L N 0.487 121.549 121.223 -0.269 0.000 1.993 259 L HA -0.119 4.222 4.340 0.001 0.000 0.206 259 L C 2.214 179.055 176.870 -0.048 0.000 1.074 259 L CA 1.446 56.131 54.840 -0.257 0.000 0.746 259 L CB -0.410 41.328 42.059 -0.537 0.000 0.896 259 L HN -0.125 nan 8.230 nan 0.000 0.435 260 V N -0.765 119.094 119.914 -0.090 0.000 2.500 260 V HA -0.069 4.052 4.120 0.001 0.000 0.243 260 V C 2.343 178.506 176.094 0.115 0.000 1.039 260 V CA 1.456 63.737 62.300 -0.031 0.000 1.053 260 V CB -0.488 31.094 31.823 -0.401 0.000 0.695 260 V HN 0.426 nan 8.190 nan 0.000 0.463 261 E N 0.279 120.436 120.200 -0.071 0.000 2.051 261 E HA -0.110 4.241 4.350 0.001 0.000 0.189 261 E C 2.259 178.587 176.600 -0.455 0.000 0.979 261 E CA 0.867 57.193 56.400 -0.124 0.000 0.803 261 E CB 0.008 29.669 29.700 -0.065 0.000 0.761 261 E HN 0.276 nan 8.360 nan 0.000 0.451 262 R N -0.851 119.425 120.500 -0.374 0.000 2.290 262 R HA 0.016 4.357 4.340 0.001 0.000 0.197 262 R C -0.422 175.654 176.300 -0.373 0.000 0.913 262 R CA 0.025 55.855 56.100 -0.450 0.000 1.040 262 R CB 0.280 30.438 30.300 -0.238 0.000 0.992 262 R HN 0.218 nan 8.270 nan 0.000 0.500 263 W N -0.361 120.896 121.300 -0.072 0.000 4.973 263 W HA -0.281 4.380 4.660 0.001 0.000 0.350 263 W C -0.381 176.069 176.519 -0.115 0.000 1.280 263 W CA 0.096 57.385 57.345 -0.093 0.000 0.854 263 W CB -2.883 26.548 29.460 -0.047 0.000 2.367 263 W HN 0.119 nan 8.180 nan 0.000 1.511 264 N N 1.663 120.372 118.700 0.014 0.000 2.462 264 N HA 0.244 4.985 4.740 0.001 0.000 0.242 264 N C 0.728 176.197 175.510 -0.069 0.000 1.010 264 N CA -0.231 52.799 53.050 -0.033 0.000 0.939 264 N CB 0.634 39.068 38.487 -0.088 0.000 1.127 264 N HN -0.150 nan 8.380 nan 0.000 0.509 265 L N 2.360 123.544 121.223 -0.066 0.000 2.375 265 L HA 0.148 4.489 4.340 0.001 0.000 0.215 265 L C 2.082 178.870 176.870 -0.136 0.000 1.108 265 L CA 0.678 55.442 54.840 -0.127 0.000 0.830 265 L CB -1.642 40.300 42.059 -0.196 0.000 0.959 265 L HN 0.543 nan 8.230 nan 0.000 0.457 266 A N 0.475 123.208 122.820 -0.144 0.000 1.873 266 A HA -0.090 4.231 4.320 0.001 0.000 0.215 266 A C 2.571 179.992 177.584 -0.272 0.000 1.186 266 A CA 1.702 53.586 52.037 -0.255 0.000 0.616 266 A CB -0.532 18.128 19.000 -0.567 0.000 0.823 266 A HN 0.333 nan 8.150 nan 0.000 0.442 267 A N -0.047 122.616 122.820 -0.260 0.000 1.877 267 A HA 0.124 4.444 4.320 0.001 0.000 0.216 267 A C 2.526 180.059 177.584 -0.085 0.000 1.186 267 A CA 2.296 54.240 52.037 -0.156 0.000 0.620 267 A CB -1.129 17.826 19.000 -0.076 0.000 0.822 267 A HN 1.123 nan 8.150 nan 0.000 0.443 268 A N -1.081 121.681 122.820 -0.097 0.000 1.933 268 A HA -0.102 4.219 4.320 0.001 0.000 0.218 268 A C 2.463 180.097 177.584 0.084 0.000 1.175 268 A CA 2.173 54.177 52.037 -0.056 0.000 0.628 268 A CB -0.856 17.999 19.000 -0.241 0.000 0.814 268 A HN 0.521 nan 8.150 nan 0.000 0.444 269 S N -0.532 115.162 115.700 -0.009 0.000 2.368 269 S HA -0.150 4.321 4.470 0.001 0.000 0.224 269 S C 1.683 176.219 174.600 -0.106 0.000 1.029 269 S CA 1.434 59.622 58.200 -0.020 0.000 0.988 269 S CB -0.462 62.730 63.200 -0.013 0.000 0.838 269 S HN 0.572 nan 8.310 nan 0.000 0.462 270 D N 1.355 121.686 120.400 -0.115 0.000 2.104 270 D HA -0.082 4.559 4.640 0.001 0.000 0.194 270 D C 1.830 178.068 176.300 -0.103 0.000 0.994 270 D CA 1.219 55.149 54.000 -0.117 0.000 0.830 270 D CB -0.408 40.342 40.800 -0.084 0.000 0.959 270 D HN 0.450 nan 8.370 nan 0.000 0.452 271 I N 0.180 120.710 120.570 -0.067 0.000 2.226 271 I HA -0.222 3.949 4.170 0.001 0.000 0.245 271 I C 2.336 178.381 176.117 -0.120 0.000 1.100 271 I CA 0.468 61.724 61.300 -0.073 0.000 1.374 271 I CB -0.073 37.907 38.000 -0.033 0.000 1.057 271 I HN -0.004 nan 8.210 nan 0.000 0.413 272 L N 1.573 122.721 121.223 -0.124 0.000 2.072 272 L HA -0.160 4.181 4.340 0.001 0.000 0.205 272 L C 2.794 179.490 176.870 -0.289 0.000 1.079 272 L CA 1.546 56.230 54.840 -0.260 0.000 0.752 272 L CB -0.584 41.312 42.059 -0.272 0.000 0.906 272 L HN 0.190 nan 8.230 nan 0.000 0.436 273 R N -0.539 119.789 120.500 -0.287 0.000 2.081 273 R HA -0.182 4.159 4.340 0.001 0.000 0.235 273 R C 2.155 178.336 176.300 -0.198 0.000 1.131 273 R CA 2.062 57.949 56.100 -0.356 0.000 0.960 273 R CB -1.138 28.630 30.300 -0.887 0.000 0.856 273 R HN 0.384 nan 8.270 nan 0.000 0.436 274 I N 1.249 121.727 120.570 -0.154 0.000 2.546 274 I HA -0.128 4.043 4.170 0.001 0.000 0.255 274 I C 2.309 178.363 176.117 -0.105 0.000 1.163 274 I CA 1.066 62.318 61.300 -0.080 0.000 1.457 274 I CB -0.054 37.901 38.000 -0.075 0.000 1.092 274 I HN 0.282 nan 8.210 nan 0.000 0.434 275 S N -0.121 115.484 115.700 -0.159 0.000 2.345 275 S HA -0.152 4.319 4.470 0.001 0.000 0.220 275 S C 2.075 176.560 174.600 -0.193 0.000 1.031 275 S CA 1.427 59.524 58.200 -0.172 0.000 0.996 275 S CB -0.143 62.929 63.200 -0.213 0.000 0.882 275 S HN 0.329 nan 8.310 nan 0.000 0.445 276 M N 0.741 120.165 119.600 -0.293 0.000 2.149 276 M HA -0.003 4.478 4.480 0.001 0.000 0.261 276 M C 2.066 178.328 176.300 -0.063 0.000 1.064 276 M CA 1.047 56.129 55.300 -0.362 0.000 1.102 276 M CB -1.547 30.592 32.600 -0.769 0.000 1.369 276 M HN 0.312 nan 8.290 nan 0.000 0.408 277 L N 0.355 121.602 121.223 0.041 0.000 2.093 277 L HA -0.147 4.194 4.340 0.001 0.000 0.208 277 L C 2.464 179.352 176.870 0.030 0.000 1.085 277 L CA 1.763 56.666 54.840 0.106 0.000 0.755 277 L CB -0.836 41.279 42.059 0.093 0.000 0.904 277 L HN 0.294 nan 8.230 nan 0.000 0.435 278 K N -0.702 119.689 120.400 -0.015 0.000 2.026 278 K HA -0.190 4.130 4.320 0.001 0.000 0.208 278 K C 1.833 178.419 176.600 -0.023 0.000 1.048 278 K CA 1.497 57.771 56.287 -0.021 0.000 0.929 278 K CB 0.051 32.526 32.500 -0.041 0.000 0.713 278 K HN 0.269 nan 8.250 nan 0.000 0.439 279 E N 0.385 120.546 120.200 -0.065 0.000 2.152 279 E HA -0.139 4.212 4.350 0.001 0.000 0.192 279 E C 1.334 177.823 176.600 -0.186 0.000 0.983 279 E CA 1.198 57.538 56.400 -0.099 0.000 0.818 279 E CB -0.013 29.568 29.700 -0.199 0.000 0.758 279 E HN 0.412 nan 8.360 nan 0.000 0.467 280 D N -1.110 119.202 120.400 -0.146 0.000 2.470 280 D HA 0.162 4.803 4.640 0.001 0.000 0.238 280 D C 0.251 176.559 176.300 0.013 0.000 1.054 280 D CA 1.036 54.990 54.000 -0.076 0.000 0.896 280 D CB 0.758 41.587 40.800 0.048 0.000 1.118 280 D HN 0.174 nan 8.370 nan 0.000 0.497 281 G N -1.045 107.770 108.800 0.025 0.000 2.731 281 G HA2 0.386 4.347 3.960 0.001 0.000 0.686 281 G HA3 0.386 4.347 3.960 0.001 0.000 0.686 281 G C 0.457 175.300 174.900 -0.095 0.000 1.395 281 G CA -0.374 44.718 45.100 -0.013 0.000 0.870 281 G HN 1.031 nan 8.290 nan 0.000 0.591 282 G N -1.384 107.353 108.800 -0.105 0.000 2.250 282 G HA2 0.480 4.441 3.960 0.001 0.000 0.252 282 G HA3 0.480 4.441 3.960 0.001 0.000 0.252 282 G C -0.897 173.935 174.900 -0.114 0.000 1.325 282 G CA 0.412 45.419 45.100 -0.155 0.000 1.091 282 G HN 2.037 nan 8.290 nan 0.000 0.476 283 V N 1.096 120.923 119.914 -0.144 0.000 2.407 283 V HA 0.567 4.687 4.120 0.001 0.000 0.291 283 V C -0.550 175.452 176.094 -0.154 0.000 1.018 283 V CA -0.568 61.688 62.300 -0.073 0.000 0.842 283 V CB 1.174 32.965 31.823 -0.052 0.000 0.996 283 V HN 0.892 nan 8.190 nan 0.000 0.426 284 Y N 6.340 126.560 120.300 -0.134 0.000 2.310 284 Y HA 0.770 5.321 4.550 0.001 0.000 0.326 284 Y C -0.752 174.962 175.900 -0.311 0.000 1.151 284 Y CA -0.539 57.462 58.100 -0.166 0.000 1.195 284 Y CB 1.168 39.616 38.460 -0.020 0.000 1.210 284 Y HN 0.541 nan 8.280 nan 0.000 0.483 285 L N 5.187 125.424 121.223 -1.645 0.000 2.455 285 L HA 0.326 4.667 4.340 0.001 0.000 0.264 285 L C -1.051 175.022 176.870 -1.328 0.000 0.968 285 L CA -1.143 52.904 54.840 -1.322 0.000 0.827 285 L CB 1.980 43.248 42.059 -1.319 0.000 1.317 285 L HN 0.587 nan 8.230 nan 0.000 0.407 286 D N 0.671 120.784 120.400 -0.477 0.000 2.399 286 D HA 0.077 4.718 4.640 0.001 0.000 0.241 286 D C 1.210 177.623 176.300 0.188 0.000 1.133 286 D CA -0.064 53.935 54.000 -0.002 0.000 0.890 286 D CB 1.984 42.884 40.800 0.166 0.000 1.201 286 D HN 0.414 nan 8.370 nan 0.000 0.432 287 V N 0.083 120.197 119.914 0.334 0.000 2.688 287 V HA -0.212 3.909 4.120 0.001 0.000 0.256 287 V C 1.007 177.221 176.094 0.201 0.000 1.084 287 V CA 1.725 64.215 62.300 0.316 0.000 1.103 287 V CB -0.640 31.291 31.823 0.181 0.000 0.688 287 V HN 0.470 nan 8.190 nan 0.000 0.480 288 D N -1.075 119.432 120.400 0.179 0.000 2.336 288 D HA 0.133 4.773 4.640 0.001 0.000 0.228 288 D C 0.546 177.109 176.300 0.438 0.000 1.120 288 D CA -0.002 54.090 54.000 0.154 0.000 0.839 288 D CB -0.231 40.621 40.800 0.086 0.000 0.932 288 D HN 0.379 nan 8.370 nan 0.000 0.509 289 M N 0.633 120.517 119.600 0.474 0.000 2.363 289 M HA 0.438 4.919 4.480 0.001 0.000 0.343 289 M C -0.320 176.329 176.300 0.582 0.000 1.165 289 M CA -0.622 54.943 55.300 0.442 0.000 1.046 289 M CB 2.117 34.894 32.600 0.294 0.000 1.648 289 M HN -0.058 nan 8.290 nan 0.000 0.452 290 L N 2.936 124.308 121.223 0.249 0.000 2.333 290 L HA 0.560 4.901 4.340 0.001 0.000 0.269 290 L C -2.161 174.347 176.870 -0.603 0.000 1.010 290 L CA -1.972 52.719 54.840 -0.248 0.000 0.818 290 L CB 2.153 43.973 42.059 -0.399 0.000 1.306 290 L HN 0.357 nan 8.230 nan 0.000 0.430 291 P HA 0.005 nan 4.420 nan 0.000 0.270 291 P C -0.325 176.647 177.300 -0.548 0.000 1.227 291 P CA -0.209 61.982 63.100 -1.515 0.000 0.788 291 P CB 0.387 31.102 31.700 -1.642 0.000 0.926 292 G N 1.621 110.270 108.800 -0.251 0.000 2.380 292 G HA2 0.332 4.293 3.960 0.001 0.000 0.262 292 G HA3 0.332 4.293 3.960 0.001 0.000 0.262 292 G C -0.098 174.851 174.900 0.081 0.000 1.243 292 G CA -0.502 44.592 45.100 -0.011 0.000 0.865 292 G HN 0.379 nan 8.290 nan 0.000 0.513 293 I N 1.857 122.498 120.570 0.118 0.000 2.648 293 I HA -0.021 4.150 4.170 0.001 0.000 0.284 293 I C 0.861 176.984 176.117 0.010 0.000 1.153 293 I CA -0.227 61.116 61.300 0.072 0.000 1.426 293 I CB 0.701 38.742 38.000 0.070 0.000 1.381 293 I HN 0.306 nan 8.210 nan 0.000 0.571 294 Q N 7.192 126.953 119.800 -0.064 0.000 2.286 294 Q HA -0.011 4.330 4.340 0.001 0.000 0.290 294 Q C -1.476 174.493 176.000 -0.052 0.000 1.049 294 Q CA -0.890 54.875 55.803 -0.064 0.000 0.923 294 Q CB 0.441 29.112 28.738 -0.112 0.000 1.183 294 Q HN 0.402 nan 8.270 nan 0.000 0.383 295 P HA -0.161 nan 4.420 nan 0.000 0.215 295 P C 0.670 177.976 177.300 0.010 0.000 1.153 295 P CA 1.211 64.326 63.100 0.025 0.000 0.853 295 P CB 0.280 31.999 31.700 0.031 0.000 0.788 296 D N -1.580 118.807 120.400 -0.023 0.000 2.269 296 D HA -0.107 4.534 4.640 0.001 0.000 0.208 296 D C 1.690 177.951 176.300 -0.065 0.000 0.963 296 D CA 0.321 54.304 54.000 -0.029 0.000 0.864 296 D CB -0.492 40.287 40.800 -0.035 0.000 0.936 296 D HN -0.081 nan 8.370 nan 0.000 0.505 297 L N -0.686 120.444 121.223 -0.156 0.000 1.988 297 L HA -0.017 4.324 4.340 0.001 0.000 0.207 297 L C 1.041 177.770 176.870 -0.235 0.000 1.071 297 L CA 1.700 56.344 54.840 -0.326 0.000 0.744 297 L CB -0.377 41.293 42.059 -0.647 0.000 0.893 297 L HN -0.036 nan 8.230 nan 0.000 0.433 298 F N -0.316 119.657 119.950 0.039 0.000 2.639 298 F HA 0.226 4.754 4.527 0.001 0.000 0.302 298 F C 1.827 177.667 175.800 0.067 0.000 1.097 298 F CA -0.042 57.985 58.000 0.045 0.000 1.294 298 F CB -0.764 38.304 39.000 0.113 0.000 1.027 298 F HN 0.185 nan 8.300 nan 0.000 0.550 299 K N -1.232 119.286 120.400 0.197 0.000 2.360 299 K HA -0.075 4.246 4.320 0.001 0.000 0.201 299 K C 1.716 178.384 176.600 0.114 0.000 1.046 299 K CA 1.480 57.857 56.287 0.150 0.000 0.945 299 K CB -0.295 32.260 32.500 0.091 0.000 0.750 299 K HN 0.034 nan 8.250 nan 0.000 0.464 300 S N 0.170 115.928 115.700 0.097 0.000 2.575 300 S HA 0.256 4.727 4.470 0.001 0.000 0.215 300 S C 0.240 174.862 174.600 0.036 0.000 0.966 300 S CA -0.520 57.712 58.200 0.052 0.000 0.911 300 S CB -0.069 63.151 63.200 0.033 0.000 0.780 300 S HN 0.259 nan 8.310 nan 0.000 0.514 301 I N 2.882 123.491 120.570 0.065 0.000 2.306 301 I HA 0.242 4.413 4.170 0.001 0.000 0.288 301 I C 0.030 176.198 176.117 0.085 0.000 1.036 301 I CA -0.603 60.714 61.300 0.030 0.000 1.221 301 I CB 0.735 38.664 38.000 -0.118 0.000 1.385 301 I HN 0.015 nan 8.210 nan 0.000 0.472 302 N N 7.376 126.067 118.700 -0.016 0.000 2.427 302 N HA -0.027 4.714 4.740 0.001 0.000 0.269 302 N C -0.099 175.241 175.510 -0.284 0.000 1.235 302 N CA 0.164 53.150 53.050 -0.107 0.000 0.934 302 N CB 0.768 39.200 38.487 -0.092 0.000 1.121 302 N HN 0.526 nan 8.380 nan 0.000 0.480 303 K N 4.698 124.735 120.400 -0.605 0.000 2.451 303 K HA 0.126 4.447 4.320 0.001 0.000 0.280 303 K C -2.240 173.970 176.600 -0.650 0.000 1.020 303 K CA -0.968 54.533 56.287 -1.310 0.000 1.008 303 K CB 0.317 31.753 32.500 -1.775 0.000 0.917 303 K HN 0.327 nan 8.250 nan 0.000 0.478 304 P HA -0.025 nan 4.420 nan 0.000 0.263 304 P C -0.361 176.808 177.300 -0.219 0.000 1.195 304 P CA 0.002 62.956 63.100 -0.243 0.000 0.762 304 P CB 0.537 32.157 31.700 -0.133 0.000 0.799 305 D N 1.365 121.672 120.400 -0.154 0.000 2.221 305 D HA -0.159 4.482 4.640 0.001 0.000 0.204 305 D C 1.737 177.987 176.300 -0.082 0.000 0.982 305 D CA 1.479 55.407 54.000 -0.119 0.000 0.857 305 D CB -0.203 40.547 40.800 -0.084 0.000 0.934 305 D HN 0.403 nan 8.370 nan 0.000 0.475 306 S N 0.149 115.811 115.700 -0.064 0.000 2.423 306 S HA -0.100 4.371 4.470 0.001 0.000 0.231 306 S C 1.069 175.658 174.600 -0.018 0.000 1.014 306 S CA 0.039 58.219 58.200 -0.033 0.000 0.965 306 S CB -0.164 63.023 63.200 -0.021 0.000 0.785 306 S HN 0.110 nan 8.310 nan 0.000 0.495 307 I N 3.229 123.781 120.570 -0.030 0.000 2.529 307 I HA 0.119 4.289 4.170 0.001 0.000 0.284 307 I C 0.771 176.902 176.117 0.023 0.000 1.082 307 I CA -0.395 60.916 61.300 0.019 0.000 1.406 307 I CB 1.184 39.221 38.000 0.062 0.000 1.405 307 I HN 0.287 nan 8.210 nan 0.000 0.548 308 T N 1.114 115.709 114.554 0.068 0.000 2.926 308 T HA 0.080 4.431 4.350 0.001 0.000 0.307 308 T C 0.891 175.667 174.700 0.127 0.000 1.059 308 T CA -0.458 61.689 62.100 0.077 0.000 1.122 308 T CB 0.416 69.334 68.868 0.082 0.000 0.972 308 T HN 0.603 nan 8.240 nan 0.000 0.545 309 N N 1.009 119.775 118.700 0.111 0.000 2.258 309 N HA -0.136 4.605 4.740 0.001 0.000 0.187 309 N C 1.811 177.447 175.510 0.209 0.000 1.012 309 N CA 1.312 54.460 53.050 0.164 0.000 0.870 309 N CB -0.196 38.363 38.487 0.120 0.000 0.977 309 N HN 0.636 nan 8.380 nan 0.000 0.434 310 T N -0.227 114.424 114.554 0.162 0.000 2.668 310 T HA -0.064 4.286 4.350 0.001 0.000 0.262 310 T C 2.080 176.880 174.700 0.166 0.000 1.045 310 T CA 1.054 63.244 62.100 0.150 0.000 1.152 310 T CB -0.197 68.740 68.868 0.116 0.000 0.864 310 T HN 0.148 nan 8.240 nan 0.000 0.419 311 S N 0.315 116.117 115.700 0.171 0.000 2.383 311 S HA -0.119 4.352 4.470 0.001 0.000 0.229 311 S C 1.621 176.362 174.600 0.235 0.000 1.030 311 S CA 0.935 59.239 58.200 0.174 0.000 1.002 311 S CB -0.400 62.897 63.200 0.162 0.000 0.829 311 S HN 0.604 nan 8.310 nan 0.000 0.467 312 W N 2.218 123.561 121.300 0.072 0.000 2.388 312 W HA -0.093 4.568 4.660 0.001 0.000 0.294 312 W C 1.670 178.250 176.519 0.101 0.000 1.212 312 W CA 0.966 58.365 57.345 0.089 0.000 1.271 312 W CB -0.032 29.485 29.460 0.094 0.000 1.126 312 W HN 0.273 nan 8.180 nan 0.000 0.535 313 E N 0.243 120.547 120.200 0.173 0.000 2.110 313 E HA -0.270 4.081 4.350 0.001 0.000 0.193 313 E C 2.002 178.614 176.600 0.019 0.000 0.988 313 E CA 1.576 58.023 56.400 0.079 0.000 0.804 313 E CB -0.838 28.944 29.700 0.137 0.000 0.745 313 E HN 0.411 nan 8.360 nan 0.000 0.458 314 M N -0.102 119.527 119.600 0.049 0.000 2.254 314 M HA -0.039 4.442 4.480 0.001 0.000 0.265 314 M C 1.971 178.263 176.300 -0.014 0.000 1.066 314 M CA 0.902 56.233 55.300 0.051 0.000 1.123 314 M CB 0.093 32.740 32.600 0.079 0.000 1.388 314 M HN -0.001 nan 8.290 nan 0.000 0.425 315 I N 0.112 120.624 120.570 -0.096 0.000 2.286 315 I HA -0.277 3.893 4.170 0.001 0.000 0.245 315 I C 2.152 177.987 176.117 -0.469 0.000 1.104 315 I CA 1.170 62.339 61.300 -0.219 0.000 1.397 315 I CB -0.326 37.531 38.000 -0.239 0.000 1.072 315 I HN 0.209 nan 8.210 nan 0.000 0.417 316 K N 0.572 120.654 120.400 -0.530 0.000 2.152 316 K HA -0.172 4.149 4.320 0.001 0.000 0.206 316 K C 2.066 178.527 176.600 -0.231 0.000 1.048 316 K CA 1.317 57.306 56.287 -0.497 0.000 0.933 316 K CB -0.155 32.237 32.500 -0.180 0.000 0.721 316 K HN 0.315 nan 8.250 nan 0.000 0.447 317 L N 0.661 121.796 121.223 -0.147 0.000 2.068 317 L HA -0.146 4.194 4.340 0.001 0.000 0.204 317 L C 2.195 178.901 176.870 -0.274 0.000 1.076 317 L CA 1.191 55.953 54.840 -0.130 0.000 0.753 317 L CB -0.285 41.762 42.059 -0.020 0.000 0.910 317 L HN 0.174 nan 8.230 nan 0.000 0.439 318 E N 0.252 120.353 120.200 -0.163 0.000 2.130 318 E HA -0.276 4.075 4.350 0.001 0.000 0.196 318 E C 2.244 178.482 176.600 -0.602 0.000 0.998 318 E CA 1.203 57.487 56.400 -0.193 0.000 0.806 318 E CB -0.220 29.451 29.700 -0.049 0.000 0.738 318 E HN 0.514 nan 8.360 nan 0.000 0.459 319 A N 1.558 123.893 122.820 -0.809 0.000 1.883 319 A HA -0.213 4.108 4.320 0.001 0.000 0.217 319 A C 2.158 179.380 177.584 -0.603 0.000 1.186 319 A CA 1.288 52.667 52.037 -1.095 0.000 0.624 319 A CB -0.498 17.787 19.000 -1.191 0.000 0.822 319 A HN 0.127 nan 8.150 nan 0.000 0.444 320 I N -0.450 119.902 120.570 -0.364 0.000 2.163 320 I HA -0.233 3.938 4.170 0.001 0.000 0.243 320 I C 2.357 178.217 176.117 -0.428 0.000 1.085 320 I CA 1.453 62.575 61.300 -0.296 0.000 1.347 320 I CB -1.182 36.657 38.000 -0.268 0.000 1.044 320 I HN 0.300 nan 8.210 nan 0.000 0.408 321 M N 0.095 119.413 119.600 -0.470 0.000 2.476 321 M HA -0.116 4.365 4.480 0.001 0.000 0.262 321 M C 2.062 178.109 176.300 -0.422 0.000 1.079 321 M CA 1.037 56.078 55.300 -0.431 0.000 1.104 321 M CB -1.079 31.253 32.600 -0.448 0.000 1.409 321 M HN 0.157 nan 8.290 nan 0.000 0.467 322 K N 0.732 120.780 120.400 -0.588 0.000 1.967 322 K HA -0.120 4.200 4.320 0.001 0.000 0.212 322 K C 1.472 177.706 176.600 -0.608 0.000 1.044 322 K CA 1.730 57.580 56.287 -0.728 0.000 0.942 322 K CB -0.240 31.490 32.500 -1.284 0.000 0.726 322 K HN 0.169 nan 8.250 nan 0.000 0.440 323 Y N 0.392 120.521 120.300 -0.286 0.000 2.546 323 Y HA 0.156 4.706 4.550 0.001 0.000 0.287 323 Y C 1.356 177.095 175.900 -0.268 0.000 1.158 323 Y CA 0.348 58.319 58.100 -0.215 0.000 1.307 323 Y CB 0.437 38.807 38.460 -0.151 0.000 1.036 323 Y HN 0.020 nan 8.280 nan 0.000 0.532 324 K N -0.495 119.711 120.400 -0.323 0.000 2.474 324 K HA 0.105 4.425 4.320 0.001 0.000 0.204 324 K C 0.190 176.442 176.600 -0.580 0.000 1.220 324 K CA 0.392 56.337 56.287 -0.569 0.000 0.966 324 K CB 0.664 32.525 32.500 -1.065 0.000 1.049 324 K HN 0.149 nan 8.250 nan 0.000 0.554 325 E N 0.013 119.952 120.200 -0.435 0.000 2.722 325 E HA -0.235 4.115 4.350 0.001 0.000 0.265 325 E C 0.182 176.712 176.600 -0.117 0.000 1.081 325 E CA 0.318 56.577 56.400 -0.235 0.000 0.781 325 E CB -1.638 27.978 29.700 -0.141 0.000 1.372 325 E HN 0.219 nan 8.360 nan 0.000 0.423 326 Y N -0.547 119.695 120.300 -0.097 0.000 2.097 326 Y HA -0.091 4.459 4.550 0.001 0.000 0.282 326 Y C 1.482 177.346 175.900 -0.061 0.000 1.152 326 Y CA 1.179 59.238 58.100 -0.069 0.000 1.136 326 Y CB -0.053 38.376 38.460 -0.052 0.000 0.975 326 Y HN 0.144 nan 8.280 nan 0.000 0.498 327 I N 2.636 123.252 120.570 0.077 0.000 2.339 327 I HA 0.269 4.440 4.170 0.001 0.000 0.290 327 I C -2.464 173.685 176.117 0.054 0.000 0.994 327 I CA -2.125 59.210 61.300 0.059 0.000 1.191 327 I CB 1.601 39.635 38.000 0.056 0.000 1.343 327 I HN -0.135 nan 8.210 nan 0.000 0.458 328 P HA 0.355 nan 4.420 nan 0.000 0.292 328 P C 0.640 177.981 177.300 0.068 0.000 1.283 328 P CA -0.094 63.031 63.100 0.041 0.000 0.835 328 P CB 1.646 33.358 31.700 0.020 0.000 1.017 329 G N 1.133 109.966 108.800 0.055 0.000 2.213 329 G HA2 -0.288 3.673 3.960 0.001 0.000 0.236 329 G HA3 -0.288 3.673 3.960 0.001 0.000 0.236 329 G C -0.186 174.755 174.900 0.068 0.000 0.991 329 G CA -0.393 44.736 45.100 0.048 0.000 0.629 329 G HN 0.546 nan 8.290 nan 0.000 0.517 330 Y N 2.794 123.084 120.300 -0.017 0.000 2.650 330 Y HA 0.448 4.999 4.550 0.001 0.000 0.331 330 Y C 1.373 177.243 175.900 -0.050 0.000 1.165 330 Y CA 0.931 59.019 58.100 -0.021 0.000 1.473 330 Y CB 0.583 39.015 38.460 -0.047 0.000 1.224 330 Y HN 0.210 nan 8.280 nan 0.000 0.533 331 T N 3.296 117.748 114.554 -0.172 0.000 2.946 331 T HA 0.008 4.359 4.350 0.001 0.000 0.312 331 T C 0.910 175.623 174.700 0.021 0.000 1.066 331 T CA 0.648 62.695 62.100 -0.089 0.000 1.138 331 T CB 0.135 68.915 68.868 -0.148 0.000 1.014 331 T HN 0.808 nan 8.240 nan 0.000 0.544 332 S N 3.161 118.867 115.700 0.010 0.000 2.730 332 S HA 0.230 4.700 4.470 0.001 0.000 0.244 332 S C 1.507 176.150 174.600 0.073 0.000 1.022 332 S CA -0.418 57.798 58.200 0.028 0.000 1.014 332 S CB 0.076 63.262 63.200 -0.023 0.000 0.963 332 S HN 0.812 nan 8.310 nan 0.000 0.540 333 K N 2.357 122.776 120.400 0.033 0.000 2.059 333 K HA -0.210 4.111 4.320 0.001 0.000 0.212 333 K C 1.469 178.095 176.600 0.043 0.000 1.050 333 K CA 2.211 58.515 56.287 0.028 0.000 0.927 333 K CB -0.365 32.138 32.500 0.004 0.000 0.714 333 K HN 0.520 nan 8.250 nan 0.000 0.447 334 N N -0.586 118.146 118.700 0.052 0.000 2.188 334 N HA -0.111 4.630 4.740 0.001 0.000 0.184 334 N C 1.497 177.047 175.510 0.067 0.000 1.018 334 N CA 1.025 54.109 53.050 0.057 0.000 0.858 334 N CB -0.163 38.359 38.487 0.058 0.000 0.989 334 N HN 0.134 nan 8.380 nan 0.000 0.426 335 F N 1.880 121.779 119.950 -0.084 0.000 2.134 335 F HA -0.129 4.399 4.527 0.001 0.000 0.299 335 F C 1.382 177.148 175.800 -0.057 0.000 1.097 335 F CA 1.273 59.198 58.000 -0.125 0.000 1.264 335 F CB -0.059 38.815 39.000 -0.210 0.000 1.001 335 F HN 0.002 nan 8.300 nan 0.000 0.479 336 D N -0.167 120.266 120.400 0.055 0.000 2.378 336 D HA -0.112 4.529 4.640 0.001 0.000 0.222 336 D C 2.162 178.431 176.300 -0.050 0.000 0.980 336 D CA 0.644 54.643 54.000 -0.002 0.000 0.907 336 D CB -0.096 40.733 40.800 0.048 0.000 0.899 336 D HN 0.341 nan 8.370 nan 0.000 0.527 337 M N -0.158 119.410 119.600 -0.053 0.000 2.288 337 M HA 0.012 4.493 4.480 0.001 0.000 0.266 337 M C 0.737 177.001 176.300 -0.061 0.000 1.072 337 M CA 0.272 55.551 55.300 -0.036 0.000 1.132 337 M CB -0.551 32.047 32.600 -0.004 0.000 1.386 337 M HN -0.063 nan 8.290 nan 0.000 0.432 338 L N 1.529 122.675 121.223 -0.127 0.000 2.482 338 L HA -0.042 4.298 4.340 0.001 0.000 0.273 338 L C 0.330 177.143 176.870 -0.096 0.000 1.228 338 L CA 0.609 55.380 54.840 -0.114 0.000 0.827 338 L CB -0.216 41.711 42.059 -0.220 0.000 1.099 338 L HN 0.109 nan 8.230 nan 0.000 0.494 339 D N 1.097 121.470 120.400 -0.044 0.000 2.472 339 D HA -0.010 4.631 4.640 0.001 0.000 0.237 339 D C 1.029 177.305 176.300 -0.040 0.000 1.141 339 D CA 0.030 54.012 54.000 -0.030 0.000 0.875 339 D CB 0.704 41.499 40.800 -0.009 0.000 1.192 339 D HN 0.469 nan 8.370 nan 0.000 0.450 340 E N 1.215 121.401 120.200 -0.024 0.000 2.160 340 E HA -0.218 4.133 4.350 0.001 0.000 0.195 340 E C 1.563 178.171 176.600 0.013 0.000 0.991 340 E CA 1.028 57.426 56.400 -0.004 0.000 0.810 340 E CB 0.023 29.729 29.700 0.009 0.000 0.742 340 E HN 0.541 nan 8.360 nan 0.000 0.466 341 E N 0.352 120.556 120.200 0.008 0.000 2.085 341 E HA -0.163 4.188 4.350 0.001 0.000 0.194 341 E C 1.709 178.322 176.600 0.021 0.000 0.994 341 E CA 1.396 57.802 56.400 0.011 0.000 0.801 341 E CB 0.005 29.706 29.700 0.002 0.000 0.743 341 E HN 0.150 nan 8.360 nan 0.000 0.453 342 V N 0.697 120.629 119.914 0.029 0.000 2.649 342 V HA -0.152 3.969 4.120 0.001 0.000 0.248 342 V C 2.340 178.522 176.094 0.147 0.000 1.054 342 V CA 1.635 63.974 62.300 0.065 0.000 1.073 342 V CB -0.568 31.320 31.823 0.108 0.000 0.699 342 V HN 0.284 nan 8.190 nan 0.000 0.463 343 Q N 0.197 120.042 119.800 0.075 0.000 2.135 343 Q HA -0.214 4.127 4.340 0.001 0.000 0.204 343 Q C 2.425 178.613 176.000 0.314 0.000 0.981 343 Q CA 1.621 57.512 55.803 0.146 0.000 0.856 343 Q CB -0.203 28.530 28.738 -0.008 0.000 0.902 343 Q HN 0.581 nan 8.270 nan 0.000 0.425 344 R N -0.361 120.227 120.500 0.147 0.000 2.236 344 R HA 0.028 4.369 4.340 0.001 0.000 0.208 344 R C 2.298 178.628 176.300 0.050 0.000 1.036 344 R CA 0.633 56.778 56.100 0.074 0.000 1.001 344 R CB 0.124 30.442 30.300 0.030 0.000 0.896 344 R HN 0.052 nan 8.270 nan 0.000 0.464 345 S N 0.259 115.988 115.700 0.049 0.000 2.406 345 S HA -0.042 4.429 4.470 0.001 0.000 0.228 345 S C 1.295 175.873 174.600 -0.037 0.000 1.020 345 S CA 1.009 59.188 58.200 -0.034 0.000 0.965 345 S CB -0.081 63.051 63.200 -0.114 0.000 0.798 345 S HN 0.173 nan 8.310 nan 0.000 0.488 346 F N 1.724 121.739 119.950 0.108 0.000 2.128 346 F HA 0.028 4.556 4.527 0.001 0.000 0.295 346 F C 2.468 178.343 175.800 0.124 0.000 1.100 346 F CA 1.091 59.173 58.000 0.136 0.000 1.260 346 F CB -0.561 38.559 39.000 0.200 0.000 1.009 346 F HN 0.201 nan 8.300 nan 0.000 0.476 347 E N -0.371 119.916 120.200 0.145 0.000 2.097 347 E HA -0.263 4.088 4.350 0.001 0.000 0.196 347 E C 2.414 178.922 176.600 -0.152 0.000 1.000 347 E CA 1.542 57.727 56.400 -0.359 0.000 0.804 347 E CB -0.273 29.001 29.700 -0.710 0.000 0.740 347 E HN 0.256 nan 8.360 nan 0.000 0.454 348 S N -0.507 115.160 115.700 -0.055 0.000 2.368 348 S HA -0.154 4.317 4.470 0.001 0.000 0.225 348 S C 1.993 176.596 174.600 0.005 0.000 1.030 348 S CA 1.304 59.485 58.200 -0.032 0.000 0.999 348 S CB -0.312 62.876 63.200 -0.019 0.000 0.844 348 S HN 0.452 nan 8.310 nan 0.000 0.459 349 A N 0.639 123.502 122.820 0.071 0.000 2.015 349 A HA 0.195 4.516 4.320 0.001 0.000 0.219 349 A C 1.897 179.524 177.584 0.071 0.000 1.163 349 A CA 0.963 53.061 52.037 0.102 0.000 0.646 349 A CB -0.425 18.723 19.000 0.247 0.000 0.806 349 A HN 0.581 nan 8.150 nan 0.000 0.448 350 L N -0.819 120.462 121.223 0.097 0.000 2.628 350 L HA 0.120 4.461 4.340 0.001 0.000 0.229 350 L C 2.068 178.923 176.870 -0.026 0.000 1.137 350 L CA 0.043 54.910 54.840 0.044 0.000 0.909 350 L CB 0.201 42.341 42.059 0.136 0.000 1.137 350 L HN 0.245 nan 8.230 nan 0.000 0.470 351 S N -0.126 115.548 115.700 -0.044 0.000 2.356 351 S HA -0.102 4.369 4.470 0.001 0.000 0.219 351 S C 2.012 176.588 174.600 -0.040 0.000 1.036 351 S CA 1.360 59.526 58.200 -0.056 0.000 0.965 351 S CB 0.080 63.240 63.200 -0.066 0.000 0.864 351 S HN 0.548 nan 8.310 nan 0.000 0.471 352 S N 0.973 116.652 115.700 -0.035 0.000 2.603 352 S HA 0.146 4.617 4.470 0.001 0.000 0.229 352 S C 0.369 174.949 174.600 -0.033 0.000 0.972 352 S CA 0.242 58.423 58.200 -0.031 0.000 0.935 352 S CB -0.151 63.032 63.200 -0.028 0.000 0.769 352 S HN 0.110 nan 8.310 nan 0.000 0.536 353 K N 1.534 121.910 120.400 -0.039 0.000 2.185 353 K HA 0.502 4.823 4.320 0.001 0.000 0.269 353 K C 0.139 176.724 176.600 -0.026 0.000 0.987 353 K CA -0.219 56.042 56.287 -0.042 0.000 0.865 353 K CB 1.817 34.276 32.500 -0.068 0.000 1.090 353 K HN 0.173 nan 8.250 nan 0.000 0.450 354 S N 0.672 116.361 115.700 -0.018 0.000 2.655 354 S HA 0.047 4.518 4.470 0.001 0.000 0.231 354 S C 0.062 174.666 174.600 0.007 0.000 1.044 354 S CA 0.007 58.206 58.200 -0.003 0.000 0.910 354 S CB 0.149 63.346 63.200 -0.005 0.000 0.833 354 S HN 0.569 nan 8.310 nan 0.000 0.581 355 D N 2.177 122.572 120.400 -0.008 0.000 2.414 355 D HA 0.096 4.736 4.640 0.001 0.000 0.242 355 D C 0.571 176.855 176.300 -0.027 0.000 1.129 355 D CA 0.073 54.064 54.000 -0.015 0.000 0.885 355 D CB 0.966 41.754 40.800 -0.020 0.000 1.198 355 D HN 0.165 nan 8.370 nan 0.000 0.437 356 K N 0.906 121.277 120.400 -0.049 0.000 2.288 356 K HA -0.116 4.205 4.320 0.001 0.000 0.201 356 K C 1.585 178.132 176.600 -0.088 0.000 1.048 356 K CA 0.546 56.767 56.287 -0.110 0.000 0.956 356 K CB 0.117 32.461 32.500 -0.260 0.000 0.746 356 K HN 0.374 nan 8.250 nan 0.000 0.461 357 S N -0.145 115.524 115.700 -0.052 0.000 2.603 357 S HA -0.023 4.448 4.470 0.001 0.000 0.229 357 S C 0.949 175.522 174.600 -0.044 0.000 0.972 357 S CA 0.520 58.702 58.200 -0.031 0.000 0.935 357 S CB 0.003 63.195 63.200 -0.014 0.000 0.769 357 S HN 0.339 nan 8.310 nan 0.000 0.536 358 E N -0.238 119.920 120.200 -0.070 0.000 2.498 358 E HA 0.335 4.686 4.350 0.001 0.000 0.203 358 E C 1.057 177.567 176.600 -0.150 0.000 1.013 358 E CA 0.028 56.376 56.400 -0.088 0.000 0.927 358 E CB 0.254 29.911 29.700 -0.072 0.000 1.012 358 E HN 0.577 nan 8.360 nan 0.000 0.482 359 I N -0.243 120.208 120.570 -0.197 0.000 3.341 359 I HA 0.051 4.222 4.170 0.001 0.000 0.243 359 I C 0.257 176.155 176.117 -0.364 0.000 1.094 359 I CA 0.082 61.168 61.300 -0.357 0.000 1.507 359 I CB 0.316 38.042 38.000 -0.458 0.000 1.441 359 I HN -0.094 nan 8.210 nan 0.000 0.465 360 F N 1.593 121.449 119.950 -0.156 0.000 2.389 360 F HA 0.285 4.813 4.527 0.001 0.000 0.337 360 F C 0.092 175.796 175.800 -0.160 0.000 1.112 360 F CA -0.679 57.202 58.000 -0.198 0.000 1.192 360 F CB 0.458 39.287 39.000 -0.285 0.000 1.185 360 F HN -0.131 nan 8.300 nan 0.000 0.552 361 L N 5.850 127.117 121.223 0.074 0.000 2.260 361 L HA 0.478 4.819 4.340 0.001 0.000 0.289 361 L C -2.462 174.415 176.870 0.011 0.000 1.057 361 L CA -2.059 52.797 54.840 0.026 0.000 0.811 361 L CB 0.223 42.302 42.059 0.033 0.000 1.184 361 L HN 0.276 nan 8.230 nan 0.000 0.429 362 P HA 0.093 nan 4.420 nan 0.000 0.268 362 P C 0.899 178.223 177.300 0.040 0.000 1.205 362 P CA -0.138 62.976 63.100 0.024 0.000 0.771 362 P CB 0.698 32.421 31.700 0.038 0.000 0.858 363 L N 0.296 121.526 121.223 0.012 0.000 2.083 363 L HA -0.164 4.177 4.340 0.001 0.000 0.209 363 L C 0.924 177.861 176.870 0.111 0.000 1.083 363 L CA 1.308 56.157 54.840 0.014 0.000 0.752 363 L CB -0.611 41.292 42.059 -0.260 0.000 0.899 363 L HN 0.496 nan 8.230 nan 0.000 0.433 364 D N -0.241 120.263 120.400 0.174 0.000 3.254 364 D HA -0.222 4.418 4.640 0.001 0.000 0.216 364 D C -0.120 176.312 176.300 0.219 0.000 1.556 364 D CA 1.496 55.605 54.000 0.183 0.000 1.105 364 D CB -0.393 40.467 40.800 0.100 0.000 0.682 364 D HN 0.141 nan 8.370 nan 0.000 0.810 365 D N 0.938 121.411 120.400 0.122 0.000 2.343 365 D HA 0.364 5.005 4.640 0.001 0.000 0.255 365 D C 0.154 176.497 176.300 0.072 0.000 1.187 365 D CA -0.004 54.049 54.000 0.088 0.000 0.875 365 D CB -0.037 40.788 40.800 0.042 0.000 1.136 365 D HN 0.308 nan 8.370 nan 0.000 0.469 366 I N -0.805 119.809 120.570 0.074 0.000 2.330 366 I HA 0.336 4.507 4.170 0.001 0.000 0.289 366 I C -0.054 176.054 176.117 -0.015 0.000 1.001 366 I CA -1.003 60.302 61.300 0.008 0.000 1.193 366 I CB 1.049 39.026 38.000 -0.038 0.000 1.345 366 I HN -0.263 nan 8.210 nan 0.000 0.461 367 K N 5.508 125.894 120.400 -0.025 0.000 2.298 367 K HA 0.597 4.918 4.320 0.001 0.000 0.280 367 K C -0.544 176.034 176.600 -0.037 0.000 1.032 367 K CA -0.511 55.762 56.287 -0.024 0.000 0.958 367 K CB 2.427 34.915 32.500 -0.021 0.000 0.978 367 K HN 0.574 nan 8.250 nan 0.000 0.472 368 V N 0.387 120.287 119.914 -0.024 0.000 3.178 368 V HA 0.210 4.331 4.120 0.001 0.000 0.302 368 V C -0.672 175.422 176.094 0.001 0.000 1.262 368 V CA -0.822 61.469 62.300 -0.016 0.000 1.030 368 V CB 2.533 34.347 31.823 -0.015 0.000 1.074 368 V HN 0.860 nan 8.190 nan 0.000 0.438 369 S N 2.849 118.558 115.700 0.014 0.000 2.541 369 S HA 0.509 4.980 4.470 0.001 0.000 0.283 369 S C -1.824 172.802 174.600 0.044 0.000 1.196 369 S CA -1.480 56.734 58.200 0.022 0.000 1.062 369 S CB 1.764 64.973 63.200 0.016 0.000 1.009 369 S HN 0.585 nan 8.310 nan 0.000 0.502 370 P HA -0.049 nan 4.420 nan 0.000 0.219 370 P C 0.989 178.337 177.300 0.080 0.000 1.146 370 P CA 1.072 64.207 63.100 0.058 0.000 0.808 370 P CB 0.038 31.769 31.700 0.052 0.000 0.779 371 L N -1.153 120.100 121.223 0.050 0.000 2.395 371 L HA 0.002 4.343 4.340 0.001 0.000 0.218 371 L C 1.501 178.439 176.870 0.113 0.000 1.130 371 L CA 0.487 55.341 54.840 0.023 0.000 0.826 371 L CB -0.585 41.426 42.059 -0.080 0.000 0.941 371 L HN 0.177 nan 8.230 nan 0.000 0.451 372 E N -0.691 119.601 120.200 0.152 0.000 2.316 372 E HA 0.592 4.943 4.350 0.001 0.000 0.258 372 E C -1.133 175.604 176.600 0.228 0.000 0.952 372 E CA -0.818 55.734 56.400 0.254 0.000 0.818 372 E CB 2.514 32.402 29.700 0.314 0.000 1.260 372 E HN -0.231 nan 8.360 nan 0.000 0.416 373 V N 1.297 121.399 119.914 0.313 0.000 2.577 373 V HA 0.307 4.428 4.120 0.001 0.000 0.303 373 V C -0.464 175.823 176.094 0.322 0.000 1.042 373 V CA -0.909 61.557 62.300 0.277 0.000 0.872 373 V CB 1.750 33.752 31.823 0.299 0.000 0.998 373 V HN 0.595 nan 8.190 nan 0.000 0.423 374 K N 3.913 124.441 120.400 0.214 0.000 2.118 374 K HA 0.725 5.046 4.320 0.001 0.000 0.264 374 K C -0.879 175.864 176.600 0.239 0.000 1.000 374 K CA -0.527 55.883 56.287 0.206 0.000 0.929 374 K CB 2.208 34.746 32.500 0.065 0.000 1.021 374 K HN 0.581 nan 8.250 nan 0.000 0.463 375 I N 0.360 121.106 120.570 0.294 0.000 2.827 375 I HA 0.332 4.503 4.170 0.001 0.000 0.298 375 I C -1.099 175.210 176.117 0.321 0.000 1.235 375 I CA -0.585 60.850 61.300 0.225 0.000 1.021 375 I CB 1.954 40.005 38.000 0.085 0.000 1.259 375 I HN 0.771 nan 8.210 nan 0.000 0.427 376 A N 5.134 128.078 122.820 0.206 0.000 2.296 376 A HA 0.662 4.983 4.320 0.001 0.000 0.264 376 A C -1.278 176.432 177.584 0.208 0.000 1.097 376 A CA 0.190 52.365 52.037 0.230 0.000 0.811 376 A CB 0.243 19.270 19.000 0.045 0.000 1.072 376 A HN 0.525 nan 8.150 nan 0.000 0.495 377 F N -1.164 118.839 119.950 0.088 0.000 2.563 377 F HA 0.637 5.165 4.527 0.001 0.000 0.316 377 F C 0.342 176.189 175.800 0.079 0.000 1.076 377 F CA -0.026 58.027 58.000 0.088 0.000 0.921 377 F CB 2.438 41.496 39.000 0.095 0.000 1.209 377 F HN 0.704 nan 8.300 nan 0.000 0.462 378 A N 2.720 125.661 122.820 0.200 0.000 2.414 378 A HA 0.590 4.911 4.320 0.001 0.000 0.286 378 A C -0.672 177.006 177.584 0.156 0.000 1.073 378 A CA -0.786 51.348 52.037 0.162 0.000 0.727 378 A CB 0.537 19.603 19.000 0.111 0.000 1.215 378 A HN 0.809 nan 8.150 nan 0.000 0.430 379 N N 1.731 120.529 118.700 0.163 0.000 2.738 379 N HA -0.208 4.532 4.740 0.001 0.000 0.249 379 N C 0.166 175.777 175.510 0.169 0.000 1.047 379 N CA 1.469 54.604 53.050 0.141 0.000 0.707 379 N CB -1.648 36.903 38.487 0.106 0.000 0.937 379 N HN 1.009 nan 8.380 nan 0.000 0.545 380 N N -2.745 116.105 118.700 0.250 0.000 2.753 380 N HA -0.253 4.487 4.740 0.001 0.000 0.251 380 N C -0.834 174.863 175.510 0.312 0.000 1.097 380 N CA 1.250 54.484 53.050 0.307 0.000 0.786 380 N CB -0.760 37.838 38.487 0.186 0.000 1.137 380 N HN 0.717 nan 8.380 nan 0.000 0.566 381 S N -1.351 114.468 115.700 0.198 0.000 2.568 381 S HA 0.750 5.221 4.470 0.001 0.000 0.293 381 S C 0.349 174.707 174.600 -0.404 0.000 1.089 381 S CA -0.697 57.493 58.200 -0.017 0.000 0.945 381 S CB 2.221 65.429 63.200 0.013 0.000 1.077 381 S HN 0.418 nan 8.310 nan 0.000 0.485 382 V N -0.031 119.511 119.914 -0.620 0.000 3.096 382 V HA 0.631 4.751 4.120 0.001 0.000 0.306 382 V C 0.039 175.940 176.094 -0.322 0.000 1.088 382 V CA -0.459 61.378 62.300 -0.771 0.000 1.129 382 V CB 0.270 31.830 31.823 -0.438 0.000 1.014 382 V HN 0.994 nan 8.190 nan 0.000 0.486 383 I N 2.571 122.995 120.570 -0.244 0.000 2.627 383 I HA 0.405 4.576 4.170 0.001 0.000 0.288 383 I C 0.315 176.360 176.117 -0.119 0.000 1.202 383 I CA -0.601 60.635 61.300 -0.107 0.000 1.050 383 I CB 1.965 39.952 38.000 -0.022 0.000 1.264 383 I HN 0.901 nan 8.210 nan 0.000 0.429 384 N N 6.843 125.457 118.700 -0.142 0.000 2.413 384 N HA -0.124 4.617 4.740 0.001 0.000 0.207 384 N C 0.895 176.381 175.510 -0.039 0.000 1.206 384 N CA 0.071 52.981 53.050 -0.233 0.000 0.832 384 N CB 0.106 38.392 38.487 -0.336 0.000 1.037 384 N HN 0.852 nan 8.380 nan 0.000 0.467 385 Q N -0.774 119.042 119.800 0.026 0.000 2.436 385 Q HA 0.136 4.477 4.340 0.001 0.000 0.209 385 Q C -0.151 175.886 176.000 0.061 0.000 0.965 385 Q CA 0.676 56.540 55.803 0.102 0.000 0.910 385 Q CB 0.120 28.908 28.738 0.083 0.000 0.980 385 Q HN 0.306 nan 8.270 nan 0.000 0.491 386 A N 0.839 123.667 122.820 0.014 0.000 2.459 386 A HA 0.682 5.003 4.320 0.001 0.000 0.296 386 A C -1.453 176.228 177.584 0.162 0.000 1.039 386 A CA -0.775 51.239 52.037 -0.038 0.000 0.698 386 A CB 1.311 20.049 19.000 -0.436 0.000 1.261 386 A HN 0.238 nan 8.150 nan 0.000 0.405 387 L N 1.862 123.250 121.223 0.275 0.000 2.393 387 L HA 0.734 5.075 4.340 0.001 0.000 0.260 387 L C -1.031 175.984 176.870 0.242 0.000 1.002 387 L CA -0.575 54.411 54.840 0.243 0.000 0.818 387 L CB 2.512 44.647 42.059 0.127 0.000 1.369 387 L HN 0.662 nan 8.230 nan 0.000 0.412 388 I N 0.841 121.496 120.570 0.141 0.000 2.569 388 I HA 0.617 4.788 4.170 0.001 0.000 0.290 388 I C -0.712 175.442 176.117 0.061 0.000 1.088 388 I CA -0.355 60.970 61.300 0.041 0.000 1.047 388 I CB 2.223 40.155 38.000 -0.112 0.000 1.237 388 I HN 0.502 nan 8.210 nan 0.000 0.421 389 S N 5.850 121.576 115.700 0.044 0.000 2.535 389 S HA 0.617 5.088 4.470 0.001 0.000 0.272 389 S C -0.932 173.683 174.600 0.026 0.000 1.149 389 S CA -0.630 57.602 58.200 0.053 0.000 0.888 389 S CB 1.142 64.387 63.200 0.076 0.000 1.110 389 S HN 0.519 nan 8.310 nan 0.000 0.463 390 L N 3.481 124.721 121.223 0.028 0.000 2.473 390 L HA 0.329 4.669 4.340 0.001 0.000 0.268 390 L C 0.868 177.751 176.870 0.022 0.000 1.215 390 L CA -0.335 54.516 54.840 0.018 0.000 0.823 390 L CB 0.322 42.396 42.059 0.024 0.000 1.099 390 L HN 0.710 nan 8.230 nan 0.000 0.483 391 K N 1.709 122.117 120.400 0.014 0.000 2.414 391 K HA -0.074 4.246 4.320 0.001 0.000 0.272 391 K C -0.006 176.610 176.600 0.027 0.000 0.993 391 K CA -0.187 56.110 56.287 0.016 0.000 0.964 391 K CB 0.344 32.852 32.500 0.013 0.000 0.925 391 K HN 0.622 nan 8.250 nan 0.000 0.487 392 D N 1.298 121.712 120.400 0.024 0.000 2.882 392 D HA -0.180 4.460 4.640 0.001 0.000 0.229 392 D C -0.352 175.972 176.300 0.040 0.000 1.167 392 D CA 1.493 55.509 54.000 0.027 0.000 0.759 392 D CB -1.245 39.577 40.800 0.036 0.000 1.088 392 D HN 0.679 nan 8.370 nan 0.000 0.425 393 S N -0.950 114.776 115.700 0.043 0.000 2.568 393 S HA 0.072 4.543 4.470 0.001 0.000 0.282 393 S C 1.208 175.857 174.600 0.082 0.000 1.338 393 S CA -0.350 57.895 58.200 0.074 0.000 1.045 393 S CB 1.145 64.391 63.200 0.075 0.000 0.873 393 S HN 0.246 nan 8.310 nan 0.000 0.516 394 Y N 2.084 122.379 120.300 -0.008 0.000 2.181 394 Y HA -0.123 4.428 4.550 0.001 0.000 0.288 394 Y C 2.702 178.571 175.900 -0.051 0.000 1.146 394 Y CA 1.814 59.896 58.100 -0.030 0.000 1.164 394 Y CB -0.807 37.618 38.460 -0.058 0.000 0.982 394 Y HN 0.888 nan 8.280 nan 0.000 0.515 395 C N 0.170 119.553 119.300 0.138 0.000 2.432 395 C HA -0.117 4.344 4.460 0.001 0.000 0.280 395 C C 3.078 178.036 174.990 -0.053 0.000 1.353 395 C CA 1.490 60.537 59.018 0.049 0.000 1.766 395 C CB -1.773 26.046 27.740 0.131 0.000 1.924 395 C HN 0.819 nan 8.230 nan 0.000 0.509 396 S N 0.461 116.143 115.700 -0.030 0.000 2.368 396 S HA -0.190 4.281 4.470 0.001 0.000 0.225 396 S C 1.462 175.982 174.600 -0.133 0.000 1.030 396 S CA 1.946 60.111 58.200 -0.060 0.000 0.999 396 S CB -0.579 62.609 63.200 -0.020 0.000 0.844 396 S HN 0.639 nan 8.310 nan 0.000 0.459 397 D N 2.003 122.301 120.400 -0.170 0.000 2.097 397 D HA -0.013 4.628 4.640 0.001 0.000 0.195 397 D C 2.068 178.222 176.300 -0.243 0.000 0.989 397 D CA 1.213 55.083 54.000 -0.217 0.000 0.827 397 D CB -0.432 40.195 40.800 -0.288 0.000 0.966 397 D HN 0.399 nan 8.370 nan 0.000 0.456 398 L N 0.532 121.589 121.223 -0.277 0.000 2.079 398 L HA -0.172 4.169 4.340 0.001 0.000 0.210 398 L C 2.627 179.337 176.870 -0.267 0.000 1.081 398 L CA 0.660 55.353 54.840 -0.245 0.000 0.752 398 L CB -0.467 41.472 42.059 -0.199 0.000 0.896 398 L HN -0.063 nan 8.230 nan 0.000 0.433 399 V N 0.108 119.838 119.914 -0.308 0.000 2.270 399 V HA -0.271 3.850 4.120 0.001 0.000 0.245 399 V C 2.331 178.232 176.094 -0.322 0.000 1.043 399 V CA 1.840 63.884 62.300 -0.427 0.000 1.014 399 V CB -0.248 31.244 31.823 -0.552 0.000 0.645 399 V HN 0.289 nan 8.190 nan 0.000 0.447 400 I N 0.651 121.076 120.570 -0.241 0.000 2.208 400 I HA -0.262 3.908 4.170 0.001 0.000 0.245 400 I C 2.313 178.334 176.117 -0.159 0.000 1.097 400 I CA 1.587 62.777 61.300 -0.183 0.000 1.363 400 I CB -0.523 37.387 38.000 -0.150 0.000 1.051 400 I HN 0.368 nan 8.210 nan 0.000 0.413 401 N N 0.323 118.924 118.700 -0.166 0.000 2.244 401 N HA -0.160 4.581 4.740 0.001 0.000 0.183 401 N C 1.842 177.269 175.510 -0.139 0.000 1.016 401 N CA 0.919 53.887 53.050 -0.138 0.000 0.866 401 N CB -0.283 38.122 38.487 -0.136 0.000 0.980 401 N HN 0.391 nan 8.380 nan 0.000 0.430 402 Q N 0.676 120.367 119.800 -0.182 0.000 2.084 402 Q HA -0.036 4.305 4.340 0.001 0.000 0.202 402 Q C 2.264 178.183 176.000 -0.134 0.000 0.978 402 Q CA 0.769 56.457 55.803 -0.191 0.000 0.844 402 Q CB -0.259 28.325 28.738 -0.257 0.000 0.898 402 Q HN 0.467 nan 8.270 nan 0.000 0.426 403 I N 0.793 121.298 120.570 -0.108 0.000 2.142 403 I HA -0.321 3.850 4.170 0.001 0.000 0.240 403 I C 2.369 178.560 176.117 0.122 0.000 1.078 403 I CA 1.336 62.650 61.300 0.024 0.000 1.343 403 I CB -0.231 37.755 38.000 -0.024 0.000 1.046 403 I HN 0.168 nan 8.210 nan 0.000 0.405 404 K N 0.605 121.012 120.400 0.011 0.000 2.009 404 K HA -0.187 4.134 4.320 0.001 0.000 0.210 404 K C 1.915 178.535 176.600 0.033 0.000 1.049 404 K CA 1.730 58.027 56.287 0.016 0.000 0.929 404 K CB -0.399 32.078 32.500 -0.039 0.000 0.714 404 K HN 0.286 nan 8.250 nan 0.000 0.440 405 N N 1.005 119.689 118.700 -0.026 0.000 2.149 405 N HA -0.154 4.587 4.740 0.001 0.000 0.188 405 N C 1.751 177.225 175.510 -0.061 0.000 1.019 405 N CA 1.283 54.300 53.050 -0.056 0.000 0.857 405 N CB -0.198 38.225 38.487 -0.106 0.000 0.997 405 N HN 0.212 nan 8.380 nan 0.000 0.426 406 R N -0.680 119.782 120.500 -0.063 0.000 2.090 406 R HA 0.018 4.359 4.340 0.001 0.000 0.228 406 R C 1.823 178.145 176.300 0.035 0.000 1.110 406 R CA 0.804 56.878 56.100 -0.044 0.000 0.973 406 R CB -0.257 30.003 30.300 -0.065 0.000 0.869 406 R HN 0.293 nan 8.270 nan 0.000 0.440 407 Y N 0.871 121.175 120.300 0.006 0.000 2.263 407 Y HA -0.107 4.444 4.550 0.001 0.000 0.292 407 Y C 2.372 178.259 175.900 -0.022 0.000 1.130 407 Y CA 1.204 59.289 58.100 -0.025 0.000 1.179 407 Y CB 0.044 38.478 38.460 -0.044 0.000 0.998 407 Y HN -0.081 nan 8.280 nan 0.000 0.532 408 K N 0.538 121.014 120.400 0.126 0.000 2.032 408 K HA -0.216 4.105 4.320 0.001 0.000 0.209 408 K C 1.861 178.492 176.600 0.053 0.000 1.048 408 K CA 1.830 58.157 56.287 0.066 0.000 0.927 408 K CB -0.437 32.083 32.500 0.033 0.000 0.712 408 K HN 0.309 nan 8.250 nan 0.000 0.441 409 I N 0.969 121.574 120.570 0.059 0.000 2.179 409 I HA -0.307 3.863 4.170 0.001 0.000 0.242 409 I C 2.380 178.541 176.117 0.073 0.000 1.088 409 I CA 0.698 62.044 61.300 0.077 0.000 1.357 409 I CB -0.259 37.827 38.000 0.143 0.000 1.051 409 I HN 0.195 nan 8.210 nan 0.000 0.409 410 L N 1.045 122.288 121.223 0.034 0.000 2.012 410 L HA -0.228 4.113 4.340 0.001 0.000 0.210 410 L C 2.162 179.029 176.870 -0.005 0.000 1.073 410 L CA 2.020 56.836 54.840 -0.041 0.000 0.748 410 L CB -0.838 41.025 42.059 -0.326 0.000 0.891 410 L HN 0.217 nan 8.230 nan 0.000 0.431 411 N N -0.132 118.568 118.700 -0.000 0.000 2.135 411 N HA -0.161 4.580 4.740 0.001 0.000 0.186 411 N C 1.502 177.036 175.510 0.041 0.000 1.027 411 N CA 1.468 54.529 53.050 0.018 0.000 0.849 411 N CB -0.588 37.927 38.487 0.047 0.000 1.002 411 N HN 0.384 nan 8.380 nan 0.000 0.425 412 D N 0.683 121.112 120.400 0.047 0.000 2.280 412 D HA -0.093 4.548 4.640 0.001 0.000 0.206 412 D C 1.111 177.449 176.300 0.064 0.000 0.988 412 D CA 0.899 54.926 54.000 0.045 0.000 0.886 412 D CB -0.064 40.757 40.800 0.035 0.000 0.914 412 D HN 0.342 nan 8.370 nan 0.000 0.473 413 N N -0.903 117.863 118.700 0.111 0.000 2.397 413 N HA 0.023 4.764 4.740 0.001 0.000 0.190 413 N C 1.497 177.192 175.510 0.308 0.000 1.099 413 N CA -0.093 53.067 53.050 0.184 0.000 0.876 413 N CB 0.526 39.110 38.487 0.162 0.000 1.143 413 N HN 0.110 nan 8.380 nan 0.000 0.468 414 L N 1.746 123.078 121.223 0.183 0.000 2.209 414 L HA 0.155 4.496 4.340 0.001 0.000 0.207 414 L C 1.467 178.315 176.870 -0.037 0.000 1.094 414 L CA 1.300 56.078 54.840 -0.103 0.000 0.790 414 L CB -0.334 41.495 42.059 -0.383 0.000 0.932 414 L HN 0.063 nan 8.230 nan 0.000 0.447 415 N N 0.071 118.778 118.700 0.011 0.000 2.135 415 N HA -0.090 4.650 4.740 0.001 0.000 0.186 415 N C -1.161 174.365 175.510 0.027 0.000 1.027 415 N CA 1.361 54.421 53.050 0.017 0.000 0.849 415 N CB -0.783 37.715 38.487 0.018 0.000 1.002 415 N HN 0.326 nan 8.380 nan 0.000 0.425 416 P HA 0.005 nan 4.420 nan 0.000 0.219 416 P C 0.818 178.143 177.300 0.042 0.000 1.150 416 P CA 1.301 64.422 63.100 0.035 0.000 0.814 416 P CB 0.128 31.849 31.700 0.035 0.000 0.787 417 S N -0.225 115.509 115.700 0.057 0.000 2.402 417 S HA -0.042 4.429 4.470 0.001 0.000 0.229 417 S C 1.991 176.611 174.600 0.033 0.000 1.021 417 S CA 0.705 58.938 58.200 0.056 0.000 0.974 417 S CB -0.905 62.364 63.200 0.113 0.000 0.800 417 S HN 0.117 nan 8.310 nan 0.000 0.484 418 I N 2.168 122.761 120.570 0.038 0.000 2.252 418 I HA -0.174 3.997 4.170 0.001 0.000 0.245 418 I C 1.862 178.023 176.117 0.075 0.000 1.102 418 I CA 0.888 62.237 61.300 0.081 0.000 1.385 418 I CB -0.271 37.777 38.000 0.079 0.000 1.064 418 I HN 0.197 nan 8.210 nan 0.000 0.414 419 N N 0.552 119.281 118.700 0.047 0.000 2.453 419 N HA -0.141 4.600 4.740 0.001 0.000 0.183 419 N C 1.314 176.846 175.510 0.037 0.000 1.041 419 N CA 1.021 54.093 53.050 0.037 0.000 0.900 419 N CB -0.061 38.440 38.487 0.024 0.000 0.961 419 N HN 0.496 nan 8.380 nan 0.000 0.443 420 E N -0.687 119.534 120.200 0.036 0.000 2.473 420 E HA 0.182 4.533 4.350 0.001 0.000 0.204 420 E C 0.872 177.490 176.600 0.029 0.000 0.994 420 E CA -0.255 56.162 56.400 0.028 0.000 0.945 420 E CB 0.560 30.273 29.700 0.021 0.000 0.990 420 E HN 0.129 nan 8.360 nan 0.000 0.493 421 G N 0.009 108.833 108.800 0.040 0.000 2.507 421 G HA2 0.139 4.099 3.960 0.001 0.000 0.271 421 G HA3 0.139 4.099 3.960 0.001 0.000 0.271 421 G C 0.422 175.365 174.900 0.071 0.000 1.189 421 G CA -0.049 45.074 45.100 0.037 0.000 0.859 421 G HN 0.020 nan 8.290 nan 0.000 0.542 422 T N -1.355 113.238 114.554 0.065 0.000 2.964 422 T HA 0.166 4.517 4.350 0.001 0.000 0.249 422 T C 0.358 175.134 174.700 0.128 0.000 1.000 422 T CA 1.105 63.258 62.100 0.087 0.000 0.992 422 T CB -0.049 68.854 68.868 0.058 0.000 1.087 422 T HN 0.734 nan 8.240 nan 0.000 0.489 423 D N -1.010 119.454 120.400 0.107 0.000 2.867 423 D HA 0.208 4.849 4.640 0.001 0.000 0.308 423 D C 0.660 176.961 176.300 0.003 0.000 1.202 423 D CA -0.790 53.302 54.000 0.153 0.000 1.035 423 D CB -0.089 40.783 40.800 0.120 0.000 1.427 423 D HN -0.019 nan 8.370 nan 0.000 0.570 424 F N 1.210 121.033 119.950 -0.212 0.000 2.075 424 F HA -0.139 4.389 4.527 0.001 0.000 0.297 424 F C 1.798 177.418 175.800 -0.300 0.000 1.113 424 F CA 1.865 59.559 58.000 -0.510 0.000 1.218 424 F CB -0.471 38.355 39.000 -0.290 0.000 0.984 424 F HN 0.180 nan 8.300 nan 0.000 0.472 425 N N -0.100 118.501 118.700 -0.164 0.000 2.069 425 N HA -0.179 4.562 4.740 0.001 0.000 0.191 425 N C 1.939 177.322 175.510 -0.212 0.000 1.031 425 N CA 2.387 55.315 53.050 -0.203 0.000 0.852 425 N CB -1.205 37.261 38.487 -0.035 0.000 1.018 425 N HN 0.513 nan 8.380 nan 0.000 0.423 426 T N -2.554 111.916 114.554 -0.141 0.000 3.023 426 T HA 0.034 4.385 4.350 0.001 0.000 0.266 426 T C 1.862 176.487 174.700 -0.125 0.000 1.093 426 T CA 1.092 63.132 62.100 -0.100 0.000 1.129 426 T CB -0.402 68.440 68.868 -0.045 0.000 0.899 426 T HN 0.042 nan 8.240 nan 0.000 0.491 427 T N 2.308 116.734 114.554 -0.212 0.000 2.809 427 T HA 0.110 4.460 4.350 0.001 0.000 0.260 427 T C 2.041 176.608 174.700 -0.221 0.000 1.039 427 T CA 0.944 62.913 62.100 -0.219 0.000 1.141 427 T CB -0.262 68.396 68.868 -0.350 0.000 0.869 427 T HN 0.166 nan 8.240 nan 0.000 0.437 428 M N 1.242 120.598 119.600 -0.406 0.000 2.108 428 M HA -0.060 4.421 4.480 0.001 0.000 0.261 428 M C 2.128 178.364 176.300 -0.107 0.000 1.066 428 M CA 1.606 56.721 55.300 -0.309 0.000 1.107 428 M CB -0.877 31.376 32.600 -0.578 0.000 1.356 428 M HN 0.218 nan 8.290 nan 0.000 0.406 429 K N 0.250 120.572 120.400 -0.130 0.000 2.002 429 K HA -0.075 4.246 4.320 0.001 0.000 0.209 429 K C 1.941 178.515 176.600 -0.044 0.000 1.048 429 K CA 1.226 57.465 56.287 -0.079 0.000 0.930 429 K CB -0.208 32.246 32.500 -0.076 0.000 0.714 429 K HN 0.252 nan 8.250 nan 0.000 0.438 430 I N 0.193 120.749 120.570 -0.023 0.000 2.226 430 I HA -0.272 3.899 4.170 0.001 0.000 0.245 430 I C 2.198 178.343 176.117 0.046 0.000 1.100 430 I CA 0.990 62.293 61.300 0.005 0.000 1.374 430 I CB -0.236 37.772 38.000 0.013 0.000 1.057 430 I HN 0.101 nan 8.210 nan 0.000 0.413 431 F N 1.042 120.934 119.950 -0.096 0.000 2.134 431 F HA -0.228 4.300 4.527 0.001 0.000 0.299 431 F C 2.741 178.489 175.800 -0.087 0.000 1.097 431 F CA 1.742 59.689 58.000 -0.088 0.000 1.264 431 F CB -0.496 38.443 39.000 -0.102 0.000 1.001 431 F HN -0.078 nan 8.300 nan 0.000 0.479 432 S N 0.001 115.587 115.700 -0.190 0.000 2.348 432 S HA -0.190 4.281 4.470 0.001 0.000 0.221 432 S C 1.804 176.272 174.600 -0.220 0.000 1.033 432 S CA 1.636 59.675 58.200 -0.269 0.000 1.010 432 S CB -0.560 62.555 63.200 -0.142 0.000 0.891 432 S HN 0.466 nan 8.310 nan 0.000 0.442 433 D N 0.957 121.276 120.400 -0.135 0.000 2.149 433 D HA -0.090 4.551 4.640 0.001 0.000 0.198 433 D C 1.973 178.206 176.300 -0.112 0.000 0.990 433 D CA 0.982 54.920 54.000 -0.103 0.000 0.839 433 D CB -0.213 40.548 40.800 -0.066 0.000 0.948 433 D HN 0.431 nan 8.370 nan 0.000 0.460 434 K N 0.286 120.609 120.400 -0.127 0.000 2.026 434 K HA -0.047 4.274 4.320 0.001 0.000 0.208 434 K C 2.389 178.893 176.600 -0.160 0.000 1.048 434 K CA 0.569 56.788 56.287 -0.113 0.000 0.929 434 K CB -0.137 32.322 32.500 -0.069 0.000 0.713 434 K HN 0.101 nan 8.250 nan 0.000 0.439 435 L N 0.406 121.458 121.223 -0.286 0.000 2.012 435 L HA -0.218 4.123 4.340 0.001 0.000 0.210 435 L C 2.584 179.349 176.870 -0.175 0.000 1.073 435 L CA 1.296 55.965 54.840 -0.284 0.000 0.748 435 L CB -0.668 41.112 42.059 -0.466 0.000 0.891 435 L HN 0.236 nan 8.230 nan 0.000 0.431 436 A N -0.342 122.379 122.820 -0.164 0.000 1.940 436 A HA -0.218 4.102 4.320 0.001 0.000 0.219 436 A C 2.499 180.036 177.584 -0.077 0.000 1.176 436 A CA 2.207 54.179 52.037 -0.108 0.000 0.631 436 A CB -0.622 18.318 19.000 -0.099 0.000 0.814 436 A HN 0.441 nan 8.150 nan 0.000 0.446 437 S N 0.048 115.702 115.700 -0.075 0.000 2.368 437 S HA -0.129 4.342 4.470 0.001 0.000 0.225 437 S C 1.444 176.017 174.600 -0.044 0.000 1.030 437 S CA 1.456 59.625 58.200 -0.053 0.000 0.999 437 S CB -0.559 62.612 63.200 -0.048 0.000 0.844 437 S HN 0.818 nan 8.310 nan 0.000 0.459 438 I N 0.898 121.438 120.570 -0.049 0.000 3.862 438 I HA 0.305 4.476 4.170 0.001 0.000 0.328 438 I C 0.013 176.113 176.117 -0.028 0.000 1.474 438 I CA -0.589 60.691 61.300 -0.034 0.000 1.215 438 I CB -0.167 37.815 38.000 -0.029 0.000 1.183 438 I HN 0.038 nan 8.210 nan 0.000 0.413 439 S N 1.122 116.802 115.700 -0.033 0.000 2.429 439 S HA 0.585 5.056 4.470 0.001 0.000 0.302 439 S C -0.351 174.241 174.600 -0.015 0.000 1.115 439 S CA -0.700 57.486 58.200 -0.023 0.000 1.095 439 S CB 1.113 64.290 63.200 -0.039 0.000 0.987 439 S HN 0.639 nan 8.310 nan 0.000 0.474 440 N N 1.614 120.312 118.700 -0.004 0.000 2.813 440 N HA 0.344 5.084 4.740 0.001 0.000 0.320 440 N C 0.607 176.120 175.510 0.004 0.000 1.315 440 N CA -1.084 51.965 53.050 -0.002 0.000 0.871 440 N CB 0.323 38.809 38.487 -0.002 0.000 1.241 440 N HN 0.618 nan 8.380 nan 0.000 0.602 441 E N -1.017 119.186 120.200 0.006 0.000 2.208 441 E HA -0.146 4.205 4.350 0.001 0.000 0.193 441 E C -0.045 176.566 176.600 0.018 0.000 0.988 441 E CA 0.931 57.337 56.400 0.011 0.000 0.828 441 E CB -0.097 29.609 29.700 0.010 0.000 0.763 441 E HN 0.518 nan 8.360 nan 0.000 0.478 442 D N 0.264 120.673 120.400 0.015 0.000 2.349 442 D HA -0.059 4.582 4.640 0.001 0.000 0.215 442 D C 0.970 177.279 176.300 0.014 0.000 1.016 442 D CA 0.398 54.408 54.000 0.016 0.000 0.870 442 D CB 0.173 40.978 40.800 0.009 0.000 0.917 442 D HN 0.293 nan 8.370 nan 0.000 0.524 443 N N -0.115 118.601 118.700 0.028 0.000 2.166 443 N HA -0.034 4.707 4.740 0.001 0.000 0.213 443 N C 1.471 177.047 175.510 0.110 0.000 1.222 443 N CA -0.082 53.007 53.050 0.064 0.000 0.900 443 N CB -0.234 38.288 38.487 0.057 0.000 1.055 443 N HN -0.117 nan 8.380 nan 0.000 0.515 444 M N 0.714 120.348 119.600 0.057 0.000 2.082 444 M HA 0.005 4.486 4.480 0.001 0.000 0.258 444 M C 1.671 177.994 176.300 0.039 0.000 1.069 444 M CA 1.598 56.918 55.300 0.033 0.000 1.102 444 M CB -0.354 32.254 32.600 0.013 0.000 1.336 444 M HN 0.079 nan 8.290 nan 0.000 0.404 445 M N -1.047 118.588 119.600 0.059 0.000 2.108 445 M HA -0.185 4.296 4.480 0.001 0.000 0.261 445 M C 2.298 178.643 176.300 0.075 0.000 1.066 445 M CA 1.727 57.061 55.300 0.057 0.000 1.107 445 M CB -1.573 31.065 32.600 0.064 0.000 1.356 445 M HN 0.467 nan 8.290 nan 0.000 0.406 446 F N 0.972 120.902 119.950 -0.034 0.000 2.186 446 F HA -0.211 4.316 4.527 0.001 0.000 0.299 446 F C 2.087 177.854 175.800 -0.054 0.000 1.090 446 F CA 1.343 59.317 58.000 -0.044 0.000 1.307 446 F CB -0.151 38.816 39.000 -0.054 0.000 1.019 446 F HN 0.010 nan 8.300 nan 0.000 0.489 447 M N 0.191 119.720 119.600 -0.118 0.000 2.132 447 M HA -0.151 4.330 4.480 0.001 0.000 0.263 447 M C 2.383 178.540 176.300 -0.239 0.000 1.065 447 M CA 1.516 56.675 55.300 -0.236 0.000 1.122 447 M CB -1.271 31.265 32.600 -0.108 0.000 1.365 447 M HN 0.249 nan 8.290 nan 0.000 0.411 448 I N -0.062 120.422 120.570 -0.143 0.000 2.286 448 I HA -0.298 3.872 4.170 0.001 0.000 0.248 448 I C 2.267 178.315 176.117 -0.115 0.000 1.115 448 I CA 1.247 62.481 61.300 -0.109 0.000 1.392 448 I CB -0.350 37.615 38.000 -0.059 0.000 1.065 448 I HN 0.302 nan 8.210 nan 0.000 0.418 449 K N 0.810 121.124 120.400 -0.144 0.000 2.148 449 K HA -0.078 4.243 4.320 0.001 0.000 0.204 449 K C 1.832 178.340 176.600 -0.153 0.000 1.050 449 K CA 1.278 57.491 56.287 -0.123 0.000 0.942 449 K CB -0.061 32.384 32.500 -0.092 0.000 0.724 449 K HN 0.488 nan 8.250 nan 0.000 0.446 450 I N -2.914 117.481 120.570 -0.292 0.000 3.883 450 I HA 0.082 4.253 4.170 0.001 0.000 0.326 450 I C 1.219 177.360 176.117 0.039 0.000 1.283 450 I CA 0.151 61.328 61.300 -0.205 0.000 1.161 450 I CB 0.127 37.834 38.000 -0.488 0.000 1.012 450 I HN -0.173 nan 8.210 nan 0.000 0.421 451 T N 1.992 116.538 114.554 -0.013 0.000 2.699 451 T HA -0.116 4.235 4.350 0.001 0.000 0.268 451 T C 1.316 176.170 174.700 0.257 0.000 1.036 451 T CA 1.820 63.970 62.100 0.084 0.000 1.147 451 T CB -0.405 68.431 68.868 -0.053 0.000 0.862 451 T HN 0.438 nan 8.240 nan 0.000 0.446 452 N N 0.503 119.298 118.700 0.159 0.000 2.322 452 N HA 0.114 4.855 4.740 0.001 0.000 0.216 452 N C 0.779 176.398 175.510 0.183 0.000 1.144 452 N CA -0.109 53.037 53.050 0.160 0.000 0.830 452 N CB -0.184 38.358 38.487 0.092 0.000 1.034 452 N HN 0.481 nan 8.380 nan 0.000 0.484 453 Y N 1.467 121.809 120.300 0.069 0.000 2.193 453 Y HA -0.150 4.401 4.550 0.001 0.000 0.285 453 Y C 1.778 177.704 175.900 0.044 0.000 1.166 453 Y CA 1.504 59.615 58.100 0.018 0.000 1.181 453 Y CB -0.131 38.303 38.460 -0.042 0.000 0.976 453 Y HN 0.061 nan 8.280 nan 0.000 0.520 454 L N 0.028 121.317 121.223 0.110 0.000 2.265 454 L HA -0.204 4.137 4.340 0.001 0.000 0.215 454 L C 2.006 179.025 176.870 0.249 0.000 1.117 454 L CA 1.480 56.415 54.840 0.159 0.000 0.782 454 L CB -0.392 41.861 42.059 0.323 0.000 0.914 454 L HN 0.177 nan 8.230 nan 0.000 0.441 455 K N -0.530 120.003 120.400 0.221 0.000 2.400 455 K HA 0.094 4.415 4.320 0.001 0.000 0.194 455 K C 0.447 177.074 176.600 0.044 0.000 1.033 455 K CA -0.126 56.305 56.287 0.240 0.000 1.021 455 K CB 0.288 32.896 32.500 0.181 0.000 0.808 455 K HN -0.003 nan 8.250 nan 0.000 0.505 456 V N 1.929 121.769 119.914 -0.123 0.000 2.555 456 V HA -0.070 4.050 4.120 0.001 0.000 0.299 456 V C 1.412 177.227 176.094 -0.464 0.000 1.012 456 V CA 1.545 63.724 62.300 -0.202 0.000 1.180 456 V CB -0.222 31.493 31.823 -0.181 0.000 0.887 456 V HN 0.780 nan 8.190 nan 0.000 0.476 457 G N 4.413 113.042 108.800 -0.285 0.000 2.217 457 G HA2 -0.286 3.675 3.960 0.001 0.000 0.246 457 G HA3 -0.286 3.675 3.960 0.001 0.000 0.246 457 G C 0.249 175.069 174.900 -0.133 0.000 0.990 457 G CA 0.443 45.385 45.100 -0.264 0.000 0.627 457 G HN 0.640 nan 8.290 nan 0.000 0.522 458 F N 1.056 121.134 119.950 0.214 0.000 2.694 458 F HA 0.746 5.274 4.527 0.001 0.000 0.292 458 F C 1.389 177.392 175.800 0.339 0.000 1.121 458 F CA 0.001 58.154 58.000 0.255 0.000 1.352 458 F CB 0.289 39.351 39.000 0.104 0.000 1.107 458 F HN 0.507 nan 8.300 nan 0.000 0.597 459 A N 0.774 123.713 122.820 0.197 0.000 2.454 459 A HA 0.730 5.051 4.320 0.001 0.000 0.302 459 A C -2.683 174.423 177.584 -0.797 0.000 1.079 459 A CA -1.766 50.169 52.037 -0.170 0.000 0.731 459 A CB 0.930 19.883 19.000 -0.079 0.000 1.299 459 A HN -0.186 nan 8.150 nan 0.000 0.413 460 P HA 0.216 nan 4.420 nan 0.000 0.272 460 P C -0.956 176.012 177.300 -0.553 0.000 1.223 460 P CA 0.519 62.986 63.100 -1.054 0.000 0.784 460 P CB 0.356 31.677 31.700 -0.631 0.000 0.923 461 D N -1.151 118.968 120.400 -0.468 0.000 2.699 461 D HA -0.109 4.531 4.640 0.001 0.000 0.239 461 D C -0.605 175.569 176.300 -0.210 0.000 1.136 461 D CA 0.778 54.614 54.000 -0.274 0.000 0.668 461 D CB -1.755 38.937 40.800 -0.180 0.000 1.060 461 D HN 0.077 nan 8.370 nan 0.000 0.429 462 V N 0.943 120.710 119.914 -0.244 0.000 2.409 462 V HA 0.453 4.574 4.120 0.001 0.000 0.291 462 V C 0.972 177.046 176.094 -0.034 0.000 1.020 462 V CA -0.609 61.618 62.300 -0.122 0.000 0.848 462 V CB 2.247 34.001 31.823 -0.116 0.000 0.990 462 V HN 0.026 nan 8.190 nan 0.000 0.430 463 R N 1.979 122.517 120.500 0.063 0.000 2.616 463 R HA 0.239 4.580 4.340 0.001 0.000 0.427 463 R C 1.405 177.819 176.300 0.190 0.000 1.030 463 R CA -0.150 56.058 56.100 0.181 0.000 1.133 463 R CB 0.600 30.961 30.300 0.101 0.000 1.444 463 R HN 0.633 nan 8.270 nan 0.000 0.578 464 S N 0.601 116.396 115.700 0.158 0.000 2.387 464 S HA -0.143 4.328 4.470 0.001 0.000 0.230 464 S C 1.614 176.274 174.600 0.101 0.000 1.035 464 S CA 2.132 60.399 58.200 0.113 0.000 1.014 464 S CB -0.018 63.296 63.200 0.190 0.000 0.836 464 S HN 0.338 nan 8.310 nan 0.000 0.466 465 T N 3.095 117.717 114.554 0.113 0.000 2.684 465 T HA -0.050 4.301 4.350 0.001 0.000 0.267 465 T C 1.731 176.399 174.700 -0.053 0.000 1.036 465 T CA 1.101 63.168 62.100 -0.054 0.000 1.148 465 T CB -0.431 68.175 68.868 -0.438 0.000 0.863 465 T HN 0.239 nan 8.240 nan 0.000 0.436 466 I N 2.468 123.055 120.570 0.028 0.000 2.229 466 I HA -0.199 3.972 4.170 0.001 0.000 0.250 466 I C 1.657 177.811 176.117 0.063 0.000 1.096 466 I CA 1.532 62.874 61.300 0.070 0.000 1.358 466 I CB -1.059 37.030 38.000 0.148 0.000 1.047 466 I HN 0.366 nan 8.210 nan 0.000 0.422 467 N N -0.155 118.588 118.700 0.073 0.000 2.230 467 N HA 0.163 4.904 4.740 0.001 0.000 0.202 467 N C 1.632 177.228 175.510 0.142 0.000 1.119 467 N CA 0.243 53.361 53.050 0.115 0.000 0.851 467 N CB 1.186 39.761 38.487 0.145 0.000 0.990 467 N HN 0.369 nan 8.380 nan 0.000 0.497 468 L N -0.578 120.673 121.223 0.046 0.000 2.600 468 L HA 0.123 4.464 4.340 0.001 0.000 0.213 468 L C 1.521 178.433 176.870 0.071 0.000 1.045 468 L CA 0.511 55.335 54.840 -0.028 0.000 0.863 468 L CB 0.240 42.129 42.059 -0.285 0.000 1.189 468 L HN 0.047 nan 8.230 nan 0.000 0.484 469 S N -1.645 114.098 115.700 0.072 0.000 2.728 469 S HA 0.319 4.790 4.470 0.001 0.000 0.257 469 S C 0.725 175.334 174.600 0.016 0.000 1.060 469 S CA 0.132 58.370 58.200 0.063 0.000 1.126 469 S CB 0.492 63.758 63.200 0.110 0.000 1.099 469 S HN 0.181 nan 8.310 nan 0.000 0.617 470 G N 2.185 110.995 108.800 0.017 0.000 2.695 470 G HA2 0.529 4.489 3.960 0.001 0.000 0.213 470 G HA3 0.529 4.489 3.960 0.001 0.000 0.213 470 G C -1.907 173.096 174.900 0.172 0.000 1.406 470 G CA -1.398 43.738 45.100 0.061 0.000 1.049 470 G HN 0.076 nan 8.290 nan 0.000 0.573 471 P HA -0.156 nan 4.420 nan 0.000 0.217 471 P C 2.046 179.408 177.300 0.104 0.000 1.158 471 P CA 2.161 65.335 63.100 0.123 0.000 0.887 471 P CB -0.184 31.541 31.700 0.042 0.000 0.792 472 G N -0.731 108.104 108.800 0.058 0.000 2.475 472 G HA2 -0.250 3.711 3.960 0.001 0.000 0.220 472 G HA3 -0.250 3.711 3.960 0.001 0.000 0.220 472 G C 1.641 176.508 174.900 -0.056 0.000 1.125 472 G CA 0.606 45.716 45.100 0.017 0.000 0.755 472 G HN 0.227 nan 8.290 nan 0.000 0.565 473 V N -0.594 119.267 119.914 -0.087 0.000 2.667 473 V HA -0.063 4.058 4.120 0.001 0.000 0.252 473 V C 2.256 178.079 176.094 -0.452 0.000 1.065 473 V CA 1.142 63.287 62.300 -0.259 0.000 1.083 473 V CB -0.454 31.197 31.823 -0.286 0.000 0.692 473 V HN 0.486 nan 8.190 nan 0.000 0.468 474 Y N 0.689 120.799 120.300 -0.316 0.000 2.269 474 Y HA -0.156 4.394 4.550 0.001 0.000 0.294 474 Y C 2.901 178.300 175.900 -0.834 0.000 1.120 474 Y CA 1.616 59.362 58.100 -0.591 0.000 1.159 474 Y CB -0.914 37.307 38.460 -0.399 0.000 1.024 474 Y HN 0.414 nan 8.280 nan 0.000 0.532 475 T N -2.546 111.872 114.554 -0.226 0.000 2.720 475 T HA -0.177 4.173 4.350 0.001 0.000 0.268 475 T C 2.304 176.885 174.700 -0.199 0.000 1.037 475 T CA 1.384 63.419 62.100 -0.108 0.000 1.144 475 T CB -1.183 67.681 68.868 -0.007 0.000 0.864 475 T HN 0.375 nan 8.240 nan 0.000 0.444 476 G N 1.316 109.977 108.800 -0.231 0.000 2.440 476 G HA2 0.022 3.983 3.960 0.001 0.000 0.218 476 G HA3 0.022 3.983 3.960 0.001 0.000 0.218 476 G C 1.939 176.680 174.900 -0.265 0.000 1.154 476 G CA 0.962 45.928 45.100 -0.223 0.000 0.767 476 G HN 0.799 nan 8.290 nan 0.000 0.552 477 A N -0.084 122.489 122.820 -0.412 0.000 1.930 477 A HA 0.111 4.432 4.320 0.001 0.000 0.217 477 A C 2.225 179.612 177.584 -0.328 0.000 1.175 477 A CA 1.422 53.209 52.037 -0.415 0.000 0.627 477 A CB -0.473 18.189 19.000 -0.563 0.000 0.815 477 A HN 0.383 nan 8.150 nan 0.000 0.443 478 Y N -0.361 119.778 120.300 -0.268 0.000 2.263 478 Y HA -0.114 4.437 4.550 0.001 0.000 0.292 478 Y C 2.546 178.339 175.900 -0.178 0.000 1.130 478 Y CA 1.014 58.896 58.100 -0.363 0.000 1.179 478 Y CB -0.931 37.177 38.460 -0.588 0.000 0.998 478 Y HN 0.475 nan 8.280 nan 0.000 0.532 479 Q N 0.392 120.179 119.800 -0.021 0.000 2.119 479 Q HA -0.183 4.158 4.340 0.001 0.000 0.201 479 Q C 1.350 177.330 176.000 -0.032 0.000 0.972 479 Q CA 1.665 57.435 55.803 -0.054 0.000 0.847 479 Q CB 0.001 28.646 28.738 -0.156 0.000 0.903 479 Q HN 0.362 nan 8.270 nan 0.000 0.433 480 D N 0.489 120.860 120.400 -0.048 0.000 2.104 480 D HA -0.191 4.450 4.640 0.001 0.000 0.194 480 D C 1.858 178.179 176.300 0.034 0.000 0.994 480 D CA 0.927 54.925 54.000 -0.003 0.000 0.830 480 D CB -0.234 40.550 40.800 -0.027 0.000 0.959 480 D HN 0.232 nan 8.370 nan 0.000 0.452 481 L N 0.443 121.670 121.223 0.006 0.000 1.994 481 L HA -0.109 4.232 4.340 0.001 0.000 0.208 481 L C 2.282 179.080 176.870 -0.120 0.000 1.071 481 L CA 1.406 56.230 54.840 -0.026 0.000 0.745 481 L CB -0.407 41.630 42.059 -0.036 0.000 0.892 481 L HN 0.011 nan 8.230 nan 0.000 0.431 482 L N -1.206 119.960 121.223 -0.095 0.000 2.093 482 L HA -0.152 4.188 4.340 0.001 0.000 0.208 482 L C 1.934 178.570 176.870 -0.391 0.000 1.085 482 L CA 0.822 55.558 54.840 -0.173 0.000 0.755 482 L CB -0.413 41.665 42.059 0.033 0.000 0.904 482 L HN 0.371 nan 8.230 nan 0.000 0.435 483 M N -1.285 118.190 119.600 -0.207 0.000 2.428 483 M HA 0.155 4.636 4.480 0.001 0.000 0.239 483 M C 0.007 176.377 176.300 0.118 0.000 1.121 483 M CA -0.075 55.215 55.300 -0.017 0.000 1.019 483 M CB -0.362 32.330 32.600 0.152 0.000 1.485 483 M HN 0.066 nan 8.290 nan 0.000 0.484 484 F N 0.292 120.331 119.950 0.149 0.000 3.080 484 F HA -0.275 4.253 4.527 0.001 0.000 0.292 484 F C 0.408 176.265 175.800 0.096 0.000 0.891 484 F CA 0.324 58.391 58.000 0.113 0.000 1.086 484 F CB -2.008 36.980 39.000 -0.020 0.000 1.095 484 F HN 0.056 nan 8.300 nan 0.000 0.633 485 K N 0.075 120.588 120.400 0.189 0.000 2.303 485 K HA 0.547 4.868 4.320 0.001 0.000 0.233 485 K C 0.578 177.235 176.600 0.096 0.000 1.046 485 K CA -0.612 55.749 56.287 0.125 0.000 0.895 485 K CB 1.034 33.584 32.500 0.083 0.000 1.220 485 K HN -0.021 nan 8.250 nan 0.000 0.470 486 D N 0.122 120.550 120.400 0.047 0.000 2.556 486 D HA 0.031 4.672 4.640 0.001 0.000 0.237 486 D C 0.076 176.352 176.300 -0.040 0.000 1.296 486 D CA 0.194 54.199 54.000 0.008 0.000 0.807 486 D CB 0.529 41.339 40.800 0.016 0.000 1.084 486 D HN 0.506 nan 8.370 nan 0.000 0.510 487 N N -0.932 117.743 118.700 -0.042 0.000 2.081 487 N HA -0.025 4.716 4.740 0.001 0.000 0.230 487 N C -0.264 175.189 175.510 -0.094 0.000 1.351 487 N CA -0.231 52.774 53.050 -0.075 0.000 0.840 487 N CB -0.047 38.408 38.487 -0.053 0.000 1.189 487 N HN -0.325 nan 8.380 nan 0.000 0.503 488 S N 0.475 116.127 115.700 -0.080 0.000 2.673 488 S HA 0.073 4.544 4.470 0.001 0.000 0.308 488 S C 0.565 175.085 174.600 -0.134 0.000 1.246 488 S CA 0.641 58.790 58.200 -0.084 0.000 1.077 488 S CB 0.454 63.601 63.200 -0.088 0.000 0.814 488 S HN 0.440 nan 8.310 nan 0.000 0.503 489 T N 1.404 115.887 114.554 -0.117 0.000 3.010 489 T HA 0.111 4.462 4.350 0.001 0.000 0.252 489 T C 0.483 175.144 174.700 -0.066 0.000 0.963 489 T CA -0.293 61.717 62.100 -0.150 0.000 0.952 489 T CB 0.031 68.775 68.868 -0.207 0.000 1.182 489 T HN 0.464 nan 8.240 nan 0.000 0.495 490 N N 2.857 121.541 118.700 -0.027 0.000 2.645 490 N HA 0.222 4.963 4.740 0.001 0.000 0.233 490 N C -0.924 174.599 175.510 0.021 0.000 1.058 490 N CA -0.424 52.637 53.050 0.018 0.000 0.942 490 N CB -0.107 38.406 38.487 0.042 0.000 1.210 490 N HN 0.165 nan 8.380 nan 0.000 0.512 491 I N 4.750 125.316 120.570 -0.007 0.000 2.396 491 I HA 0.061 4.232 4.170 0.001 0.000 0.289 491 I C 1.549 177.657 176.117 -0.015 0.000 1.056 491 I CA -0.057 61.200 61.300 -0.071 0.000 1.365 491 I CB 0.393 38.361 38.000 -0.053 0.000 1.407 491 I HN 0.627 nan 8.210 nan 0.000 0.509 492 H N 5.599 124.696 119.070 0.046 0.000 2.755 492 H HA 0.345 4.901 4.556 0.001 0.000 0.273 492 H C 0.174 175.542 175.328 0.066 0.000 1.055 492 H CA -0.425 55.654 56.048 0.052 0.000 1.191 492 H CB 0.518 30.307 29.762 0.045 0.000 1.536 492 H HN 0.365 nan 8.280 nan 0.000 0.529 493 L N 2.408 123.560 121.223 -0.118 0.000 2.416 493 L HA 0.189 4.530 4.340 0.001 0.000 0.272 493 L C 0.124 177.053 176.870 0.099 0.000 1.161 493 L CA -0.112 54.751 54.840 0.038 0.000 0.845 493 L CB 1.063 43.126 42.059 0.007 0.000 1.119 493 L HN 0.100 nan 8.230 nan 0.000 0.464 494 L N 1.884 123.185 121.223 0.129 0.000 2.365 494 L HA 0.251 4.591 4.340 0.001 0.000 0.267 494 L C 1.430 178.387 176.870 0.146 0.000 1.033 494 L CA -0.516 54.399 54.840 0.126 0.000 0.802 494 L CB 1.307 43.432 42.059 0.111 0.000 1.267 494 L HN 0.666 nan 8.230 nan 0.000 0.457 495 E N 1.208 121.499 120.200 0.151 0.000 2.086 495 E HA -0.225 4.126 4.350 0.001 0.000 0.205 495 E C -0.924 175.758 176.600 0.138 0.000 1.027 495 E CA 1.969 58.482 56.400 0.189 0.000 0.830 495 E CB -0.615 29.185 29.700 0.167 0.000 0.751 495 E HN 0.522 nan 8.360 nan 0.000 0.456 496 P HA -0.148 nan 4.420 nan 0.000 0.218 496 P C 0.533 177.863 177.300 0.050 0.000 1.148 496 P CA 1.521 64.647 63.100 0.043 0.000 0.822 496 P CB -0.021 31.703 31.700 0.039 0.000 0.784 497 E N -0.795 119.462 120.200 0.096 0.000 2.107 497 E HA -0.055 4.296 4.350 0.001 0.000 0.191 497 E C 1.942 178.650 176.600 0.180 0.000 0.982 497 E CA 0.680 57.148 56.400 0.113 0.000 0.809 497 E CB -0.532 29.253 29.700 0.141 0.000 0.756 497 E HN 0.225 nan 8.360 nan 0.000 0.459 498 L N 0.575 121.949 121.223 0.252 0.000 2.141 498 L HA -0.101 4.240 4.340 0.001 0.000 0.209 498 L C 2.251 179.383 176.870 0.437 0.000 1.094 498 L CA 0.846 55.928 54.840 0.404 0.000 0.763 498 L CB -0.197 42.126 42.059 0.439 0.000 0.908 498 L HN -0.002 nan 8.230 nan 0.000 0.437 499 R N 0.164 120.766 120.500 0.169 0.000 2.357 499 R HA -0.049 4.292 4.340 0.001 0.000 0.202 499 R C 1.412 177.626 176.300 -0.143 0.000 1.047 499 R CA 0.240 56.263 56.100 -0.129 0.000 1.034 499 R CB -0.386 29.728 30.300 -0.311 0.000 0.875 499 R HN 0.485 nan 8.270 nan 0.000 0.473 500 N N 0.130 118.705 118.700 -0.208 0.000 2.520 500 N HA -0.112 4.629 4.740 0.001 0.000 0.185 500 N C 0.238 175.331 175.510 -0.695 0.000 1.068 500 N CA 1.071 53.813 53.050 -0.513 0.000 0.911 500 N CB 0.128 38.164 38.487 -0.752 0.000 0.961 500 N HN 0.214 nan 8.380 nan 0.000 0.446 501 F N 0.676 120.555 119.950 -0.119 0.000 2.683 501 F HA 0.183 4.710 4.527 0.001 0.000 0.306 501 F C 0.593 176.422 175.800 0.050 0.000 1.102 501 F CA -0.730 57.185 58.000 -0.141 0.000 1.244 501 F CB 0.059 38.746 39.000 -0.522 0.000 1.029 501 F HN -0.098 nan 8.300 nan 0.000 0.545 502 E N 0.731 121.056 120.200 0.208 0.000 2.360 502 E HA 0.050 4.401 4.350 0.001 0.000 0.269 502 E C -0.345 176.397 176.600 0.238 0.000 1.022 502 E CA -0.709 55.870 56.400 0.299 0.000 0.887 502 E CB 0.754 30.460 29.700 0.010 0.000 0.990 502 E HN 0.206 nan 8.360 nan 0.000 0.426 503 F N 4.333 124.389 119.950 0.177 0.000 2.623 503 F HA 0.022 4.550 4.527 0.001 0.000 0.383 503 F C -1.567 174.287 175.800 0.090 0.000 1.077 503 F CA -1.608 56.464 58.000 0.121 0.000 1.268 503 F CB 0.505 39.582 39.000 0.128 0.000 1.053 503 F HN 0.434 nan 8.300 nan 0.000 0.571 504 P HA -0.089 nan 4.420 nan 0.000 0.258 504 P C -0.083 177.397 177.300 0.299 0.000 1.187 504 P CA 0.087 63.269 63.100 0.137 0.000 0.767 504 P CB 0.968 32.676 31.700 0.014 0.000 0.770 505 K N 4.024 124.543 120.400 0.199 0.000 2.063 505 K HA -0.156 4.165 4.320 0.001 0.000 0.208 505 K C 1.769 178.474 176.600 0.176 0.000 1.048 505 K CA 2.466 58.864 56.287 0.185 0.000 0.928 505 K CB -1.196 31.372 32.500 0.113 0.000 0.713 505 K HN 0.511 nan 8.250 nan 0.000 0.442 506 T N -2.516 112.127 114.554 0.148 0.000 3.035 506 T HA 0.005 4.356 4.350 0.001 0.000 0.268 506 T C 1.384 176.170 174.700 0.144 0.000 1.109 506 T CA 0.785 62.960 62.100 0.125 0.000 1.119 506 T CB -0.095 68.829 68.868 0.093 0.000 0.900 506 T HN 0.039 nan 8.240 nan 0.000 0.503 507 K N 0.696 121.227 120.400 0.218 0.000 2.520 507 K HA 0.568 4.888 4.320 0.001 0.000 0.205 507 K C -0.328 176.478 176.600 0.342 0.000 1.035 507 K CA -0.172 56.278 56.287 0.272 0.000 1.188 507 K CB 0.004 32.700 32.500 0.328 0.000 0.894 507 K HN 0.564 nan 8.250 nan 0.000 0.497 508 I N -1.196 119.497 120.570 0.205 0.000 2.785 508 I HA 0.165 4.335 4.170 0.001 0.000 0.293 508 I C -1.617 174.537 176.117 0.060 0.000 1.446 508 I CA -0.386 60.989 61.300 0.125 0.000 1.028 508 I CB 2.131 40.092 38.000 -0.065 0.000 1.349 508 I HN -0.217 nan 8.210 nan 0.000 0.438 509 S N 5.678 121.394 115.700 0.026 0.000 2.594 509 S HA 0.346 4.817 4.470 0.001 0.000 0.322 509 S C 0.183 174.830 174.600 0.077 0.000 1.085 509 S CA -0.560 57.666 58.200 0.043 0.000 1.116 509 S CB 1.666 64.872 63.200 0.011 0.000 0.979 509 S HN 0.690 nan 8.310 nan 0.000 0.465 510 Q N 1.868 121.721 119.800 0.088 0.000 2.339 510 Q HA 0.217 4.558 4.340 0.001 0.000 0.205 510 Q C -0.048 176.028 176.000 0.126 0.000 0.925 510 Q CA 0.606 56.471 55.803 0.103 0.000 0.898 510 Q CB -0.021 28.768 28.738 0.086 0.000 1.013 510 Q HN 0.586 nan 8.270 nan 0.000 0.504 511 L N 2.810 124.106 121.223 0.122 0.000 2.423 511 L HA 0.170 4.511 4.340 0.001 0.000 0.249 511 L C 0.268 177.226 176.870 0.147 0.000 1.276 511 L CA -0.441 54.474 54.840 0.125 0.000 1.199 511 L CB -0.430 41.698 42.059 0.114 0.000 1.407 511 L HN 0.070 nan 8.230 nan 0.000 0.410 512 T N -4.342 110.320 114.554 0.180 0.000 2.934 512 T HA 0.189 4.540 4.350 0.001 0.000 0.283 512 T C 1.033 175.828 174.700 0.158 0.000 1.005 512 T CA -0.721 61.526 62.100 0.245 0.000 1.041 512 T CB 2.014 71.107 68.868 0.376 0.000 1.042 512 T HN 0.488 nan 8.240 nan 0.000 0.505 513 E N 0.258 120.481 120.200 0.039 0.000 2.086 513 E HA -0.328 4.023 4.350 0.001 0.000 0.200 513 E C 1.933 178.529 176.600 -0.006 0.000 1.012 513 E CA 1.723 58.036 56.400 -0.145 0.000 0.812 513 E CB -0.083 29.269 29.700 -0.580 0.000 0.743 513 E HN 0.724 nan 8.360 nan 0.000 0.453 514 Q N 0.658 120.524 119.800 0.111 0.000 2.187 514 Q HA -0.154 4.187 4.340 0.001 0.000 0.199 514 Q C 1.752 177.793 176.000 0.069 0.000 0.957 514 Q CA 1.813 57.640 55.803 0.040 0.000 0.857 514 Q CB -0.113 28.547 28.738 -0.130 0.000 0.929 514 Q HN 0.288 nan 8.270 nan 0.000 0.453 515 E N 0.304 120.585 120.200 0.135 0.000 2.085 515 E HA -0.167 4.183 4.350 0.001 0.000 0.194 515 E C 1.573 178.232 176.600 0.100 0.000 0.994 515 E CA 1.557 58.036 56.400 0.132 0.000 0.801 515 E CB -0.438 29.355 29.700 0.155 0.000 0.743 515 E HN 0.450 nan 8.360 nan 0.000 0.453 516 I N 0.715 121.331 120.570 0.078 0.000 2.462 516 I HA -0.200 3.971 4.170 0.001 0.000 0.259 516 I C 1.288 177.435 176.117 0.050 0.000 1.156 516 I CA 1.446 62.780 61.300 0.056 0.000 1.417 516 I CB -2.040 35.979 38.000 0.033 0.000 1.088 516 I HN 0.181 nan 8.210 nan 0.000 0.442 517 T N 0.633 115.218 114.554 0.053 0.000 2.792 517 T HA 0.356 4.707 4.350 0.001 0.000 0.280 517 T C -0.181 174.567 174.700 0.080 0.000 0.990 517 T CA -0.408 61.723 62.100 0.052 0.000 0.960 517 T CB 1.270 70.159 68.868 0.035 0.000 0.939 517 T HN 0.156 nan 8.240 nan 0.000 0.439 518 S N 4.152 119.895 115.700 0.072 0.000 2.508 518 S HA 0.487 4.958 4.470 0.001 0.000 0.284 518 S C 0.770 175.428 174.600 0.097 0.000 1.192 518 S CA -0.806 57.452 58.200 0.097 0.000 1.070 518 S CB 0.438 63.647 63.200 0.015 0.000 1.004 518 S HN 0.733 nan 8.310 nan 0.000 0.493 519 L N 4.831 126.172 121.223 0.197 0.000 2.667 519 L HA 0.318 4.659 4.340 0.001 0.000 0.232 519 L C 1.321 178.338 176.870 0.245 0.000 1.138 519 L CA -0.244 54.720 54.840 0.206 0.000 0.921 519 L CB -0.060 42.157 42.059 0.263 0.000 1.180 519 L HN 0.841 nan 8.230 nan 0.000 0.487 520 W N -0.274 121.077 121.300 0.085 0.000 2.868 520 W HA 0.400 5.061 4.660 0.001 0.000 0.320 520 W C 0.153 176.714 176.519 0.070 0.000 1.076 520 W CA 0.209 57.584 57.345 0.050 0.000 1.576 520 W CB -0.079 29.392 29.460 0.018 0.000 1.030 520 W HN 0.127 nan 8.180 nan 0.000 0.558 521 S N 1.173 116.507 115.700 -0.610 0.000 2.570 521 S HA 0.747 5.218 4.470 0.001 0.000 0.270 521 S C -1.280 173.203 174.600 -0.195 0.000 1.149 521 S CA -0.693 57.121 58.200 -0.643 0.000 0.837 521 S CB 1.818 64.100 63.200 -1.529 0.000 1.124 521 S HN 0.329 nan 8.310 nan 0.000 0.465 522 F N 0.020 119.778 119.950 -0.319 0.000 2.578 522 F HA 0.757 5.285 4.527 0.001 0.000 0.311 522 F C -0.369 175.334 175.800 -0.160 0.000 1.094 522 F CA -1.290 56.597 58.000 -0.188 0.000 0.923 522 F CB 0.280 39.222 39.000 -0.097 0.000 1.230 522 F HN 0.841 nan 8.300 nan 0.000 0.450 523 N N 1.063 119.746 118.700 -0.028 0.000 2.327 523 N HA 0.143 4.883 4.740 0.001 0.000 0.257 523 N C 0.628 176.125 175.510 -0.022 0.000 1.281 523 N CA -0.611 52.397 53.050 -0.071 0.000 0.942 523 N CB 0.569 39.040 38.487 -0.026 0.000 1.199 523 N HN 0.656 nan 8.380 nan 0.000 0.532 524 Q N -0.382 119.407 119.800 -0.018 0.000 2.050 524 Q HA -0.166 4.175 4.340 0.001 0.000 0.202 524 Q C 2.198 178.232 176.000 0.057 0.000 0.980 524 Q CA 2.037 57.867 55.803 0.045 0.000 0.840 524 Q CB -0.909 27.861 28.738 0.054 0.000 0.898 524 Q HN 0.831 nan 8.270 nan 0.000 0.424 525 A N 1.028 123.864 122.820 0.026 0.000 1.940 525 A HA -0.205 4.116 4.320 0.001 0.000 0.219 525 A C 2.158 179.750 177.584 0.013 0.000 1.176 525 A CA 1.593 53.630 52.037 0.000 0.000 0.631 525 A CB -0.491 18.511 19.000 0.003 0.000 0.814 525 A HN 0.231 nan 8.150 nan 0.000 0.446 526 R N -0.756 119.785 120.500 0.068 0.000 2.115 526 R HA 0.006 4.347 4.340 0.001 0.000 0.226 526 R C 2.303 178.708 176.300 0.176 0.000 1.100 526 R CA 1.036 57.195 56.100 0.100 0.000 0.980 526 R CB -0.285 30.094 30.300 0.132 0.000 0.875 526 R HN 0.478 nan 8.270 nan 0.000 0.445 527 A N 0.982 123.975 122.820 0.288 0.000 1.933 527 A HA -0.178 4.142 4.320 0.001 0.000 0.218 527 A C 2.017 179.811 177.584 0.350 0.000 1.175 527 A CA 1.371 53.670 52.037 0.436 0.000 0.628 527 A CB -0.274 18.928 19.000 0.337 0.000 0.814 527 A HN 0.250 nan 8.150 nan 0.000 0.444 528 K N 0.011 120.375 120.400 -0.060 0.000 2.137 528 K HA -0.076 4.245 4.320 0.001 0.000 0.202 528 K C 2.295 178.860 176.600 -0.059 0.000 1.052 528 K CA 1.287 57.330 56.287 -0.406 0.000 0.961 528 K CB -0.103 31.803 32.500 -0.991 0.000 0.741 528 K HN 0.593 nan 8.250 nan 0.000 0.452 529 S N 0.452 116.121 115.700 -0.052 0.000 2.402 529 S HA -0.153 4.318 4.470 0.001 0.000 0.229 529 S C 1.844 176.384 174.600 -0.099 0.000 1.021 529 S CA 0.829 58.994 58.200 -0.058 0.000 0.974 529 S CB -0.191 62.977 63.200 -0.054 0.000 0.800 529 S HN 0.357 nan 8.310 nan 0.000 0.484 530 Q N -0.457 119.290 119.800 -0.088 0.000 2.245 530 Q HA 0.110 4.450 4.340 0.001 0.000 0.201 530 Q C 1.751 177.436 176.000 -0.525 0.000 0.955 530 Q CA 1.004 56.615 55.803 -0.320 0.000 0.870 530 Q CB -0.256 28.360 28.738 -0.204 0.000 0.945 530 Q HN 0.721 nan 8.270 nan 0.000 0.461 531 F N 1.927 121.755 119.950 -0.204 0.000 2.234 531 F HA -0.098 4.429 4.527 0.001 0.000 0.299 531 F C 1.414 177.079 175.800 -0.225 0.000 1.087 531 F CA 1.155 59.061 58.000 -0.156 0.000 1.340 531 F CB 0.208 39.231 39.000 0.038 0.000 1.031 531 F HN -0.038 nan 8.300 nan 0.000 0.500 532 E N -0.043 120.031 120.200 -0.210 0.000 2.526 532 E HA -0.140 4.211 4.350 0.001 0.000 0.198 532 E C 1.584 178.012 176.600 -0.287 0.000 1.091 532 E CA 0.414 56.665 56.400 -0.250 0.000 0.880 532 E CB -0.045 29.596 29.700 -0.099 0.000 0.873 532 E HN 0.630 nan 8.360 nan 0.000 0.527 533 E N -0.753 119.208 120.200 -0.398 0.000 2.354 533 E HA -0.033 4.318 4.350 0.001 0.000 0.203 533 E C 0.953 177.381 176.600 -0.287 0.000 0.841 533 E CA -0.001 56.193 56.400 -0.344 0.000 1.046 533 E CB 0.246 29.712 29.700 -0.391 0.000 1.040 533 E HN 0.192 nan 8.360 nan 0.000 0.504 534 Y N 1.440 121.603 120.300 -0.228 0.000 2.421 534 Y HA -0.019 4.532 4.550 0.001 0.000 0.292 534 Y C 2.186 177.896 175.900 -0.317 0.000 1.136 534 Y CA 0.825 58.783 58.100 -0.236 0.000 1.255 534 Y CB -0.340 37.975 38.460 -0.242 0.000 0.991 534 Y HN -0.031 nan 8.280 nan 0.000 0.552 535 K N 0.548 120.718 120.400 -0.383 0.000 2.103 535 K HA -0.101 4.219 4.320 0.001 0.000 0.204 535 K C 1.949 178.481 176.600 -0.113 0.000 1.052 535 K CA 0.870 56.929 56.287 -0.380 0.000 0.945 535 K CB 0.039 32.157 32.500 -0.637 0.000 0.722 535 K HN 0.160 nan 8.250 nan 0.000 0.443 536 K N -0.474 119.862 120.400 -0.106 0.000 2.148 536 K HA -0.061 4.260 4.320 0.001 0.000 0.204 536 K C 1.521 178.150 176.600 0.047 0.000 1.050 536 K CA 1.144 57.424 56.287 -0.012 0.000 0.942 536 K CB -0.038 32.434 32.500 -0.045 0.000 0.724 536 K HN 0.186 nan 8.250 nan 0.000 0.446 537 G N -0.189 108.638 108.800 0.044 0.000 3.318 537 G HA2 -0.170 3.791 3.960 0.001 0.000 0.230 537 G HA3 -0.170 3.791 3.960 0.001 0.000 0.230 537 G C 0.527 175.512 174.900 0.141 0.000 1.317 537 G CA 0.079 45.222 45.100 0.073 0.000 1.197 537 G HN 0.299 nan 8.290 nan 0.000 0.514 538 Y N -1.715 118.598 120.300 0.022 0.000 2.423 538 Y HA 0.470 5.021 4.550 0.001 0.000 0.257 538 Y C 1.228 177.221 175.900 0.155 0.000 1.087 538 Y CA -0.618 57.518 58.100 0.061 0.000 1.258 538 Y CB 0.670 39.157 38.460 0.044 0.000 1.237 538 Y HN 0.147 nan 8.280 nan 0.000 0.517 539 F N -0.581 119.344 119.950 -0.041 0.000 2.665 539 F HA 0.310 4.838 4.527 0.001 0.000 0.328 539 F C 0.914 176.680 175.800 -0.057 0.000 0.848 539 F CA -0.243 57.700 58.000 -0.093 0.000 1.071 539 F CB 0.227 39.202 39.000 -0.043 0.000 0.906 539 F HN -0.332 nan 8.300 nan 0.000 0.654 540 E N 0.000 120.251 120.200 0.085 0.000 2.725 540 E HA 0.000 4.351 4.350 0.001 0.000 0.291 540 E CA 0.000 56.405 56.400 0.009 0.000 0.976 540 E CB 0.000 29.724 29.700 0.040 0.000 0.812 540 E HN 0.000 nan 8.360 nan 0.000 0.440