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 1noj_1_A DATA FIRST_RESID 12 DATA SEQUENCE QISVRGLAGV ENVTELKKNF NRHLHFTLVK DRNVATPRDY YFALAHTVRD DATA SEQUENCE HLVGRWIRTQ QHYYEKDPKR IYYLSLEFYM GRTLQNTMVN LALENACDEA DATA SEQUENCE TYQLGLDMEE LEEIEEDAGL GNGGLGRLAA CFLDSMATLG LAAYGYGIRY DATA SEQUENCE EFGIFNQKIC GGWQMEEADD WLRYGNPWEK ARPEFTLPVH FYGRVEHTSQ DATA SEQUENCE GAKWVDTQVV LAMPYDTPVP GYRNNVVNTM RLWSAKAPND FNLKDFNVGG DATA SEQUENCE YIQAVLDRNL AENISRVLYP NDNFFEGKEL RLKQEYFVVA ATLQDIIRRF DATA SEQUENCE KSSKFGCRDP VRTNFDAFPD KVAIQLNDTH PSLAIPELMR VLVDLERLDW DATA SEQUENCE DKAWEVTVKT CAYTNHTVIP EALERWPVHL LETLLPRHLQ IIYEINQRFL DATA SEQUENCE NRVAAAFPGD VDRLRRMSLV EEGAVKRINM AHLCIAGSHA VNGVARIHSE DATA SEQUENCE ILKKTIFKDF YELEPHKFQN KTNGITPRRW LVLCNPGLAE IIAERIGEEY DATA SEQUENCE ISDLDQLRKL LSYVDDEAFI RDVAKVKQEN KLKFAAYLER EYKVHINPNS DATA SEQUENCE LFDVQVKRIH EYKRQLLNCL HVITLYNRIK KEPNKFVVPR TVMIGGKPAP DATA SEQUENCE GYHMAKMIIK LITAIGDVVN HDPVVGDRLR VIFLENYRVS LAEKVIPAAD DATA SEQUENCE LSEQISTAGT EASGTGNMKF MLNGALTIGT MDGANVEMAE EAGEENFFIF DATA SEQUENCE GMRVEDVDRL DQRGYNAQEY YDRIPELRQI IEQLSSGFFS PKQPDLFKDI DATA SEQUENCE VNMLMHHDRF KVFADYEEYV KCQERVSALY KNPREWTRMV IRNIATSGKF DATA SEQUENCE SSDRTIAQYA REIWGVEPSR QRLPAPDEKI P 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 12 Q HA 0.000 nan 4.340 nan 0.000 0.214 12 Q C 0.000 175.985 176.000 -0.025 0.000 1.003 12 Q CA 0.000 55.788 55.803 -0.025 0.000 1.022 12 Q CB 0.000 28.727 28.738 -0.018 0.000 1.108 13 I N 0.976 121.526 120.570 -0.033 0.000 2.074 13 I HA -0.234 3.927 4.170 -0.014 0.000 0.238 13 I C 0.958 177.065 176.117 -0.017 0.000 1.037 13 I CA 2.506 63.787 61.300 -0.032 0.000 1.301 13 I CB -0.478 37.499 38.000 -0.039 0.000 1.016 13 I HN 0.755 nan 8.210 nan 0.000 0.400 14 S N -2.390 113.304 115.700 -0.011 0.000 2.815 14 S HA 0.512 4.974 4.470 -0.014 0.000 0.296 14 S C -0.938 173.663 174.600 0.002 0.000 1.224 14 S CA -0.788 57.414 58.200 0.002 0.000 0.938 14 S CB 1.853 65.057 63.200 0.007 0.000 1.285 14 S HN -0.193 nan 8.310 nan 0.000 0.549 15 V N 1.927 121.848 119.914 0.012 0.000 2.260 15 V HA 0.483 4.594 4.120 -0.014 0.000 0.263 15 V C -0.047 176.055 176.094 0.012 0.000 1.036 15 V CA -0.119 62.187 62.300 0.009 0.000 0.874 15 V CB 0.233 32.066 31.823 0.018 0.000 1.116 15 V HN 0.670 nan 8.190 nan 0.000 0.454 16 R N 2.752 123.253 120.500 0.002 0.000 3.335 16 R HA 0.535 4.866 4.340 -0.014 0.000 0.337 16 R C 0.803 177.095 176.300 -0.013 0.000 1.283 16 R CA 0.472 56.572 56.100 -0.000 0.000 1.246 16 R CB 0.506 30.802 30.300 -0.006 0.000 1.464 16 R HN 0.900 nan 8.270 nan 0.000 0.607 17 G N 0.744 109.535 108.800 -0.016 0.000 2.814 17 G HA2 -0.248 3.704 3.960 -0.014 0.000 0.677 17 G HA3 -0.248 3.704 3.960 -0.014 0.000 0.677 17 G C -0.505 174.377 174.900 -0.028 0.000 1.429 17 G CA -0.918 44.163 45.100 -0.033 0.000 0.868 17 G HN 0.211 nan 8.290 nan 0.000 0.553 18 L N 0.000 121.203 121.223 -0.033 0.000 2.439 18 L HA 0.620 4.951 4.340 -0.014 0.000 0.261 18 L C 1.129 177.981 176.870 -0.029 0.000 1.153 18 L CA -0.172 54.651 54.840 -0.028 0.000 0.808 18 L CB 1.486 43.529 42.059 -0.026 0.000 1.126 18 L HN 1.259 nan 8.230 nan 0.000 0.460 19 A N 1.592 124.399 122.820 -0.023 0.000 3.165 19 A HA 0.519 4.831 4.320 -0.014 0.000 0.331 19 A C 0.489 178.066 177.584 -0.013 0.000 1.034 19 A CA -0.387 51.639 52.037 -0.019 0.000 0.906 19 A CB -0.103 18.886 19.000 -0.019 0.000 1.054 19 A HN 0.816 nan 8.150 nan 0.000 0.484 20 G N -0.314 108.477 108.800 -0.014 0.000 2.474 20 G HA2 0.280 4.231 3.960 -0.014 0.000 0.233 20 G HA3 0.280 4.231 3.960 -0.014 0.000 0.233 20 G C 1.140 176.040 174.900 0.000 0.000 1.278 20 G CA 0.358 45.454 45.100 -0.008 0.000 0.861 20 G HN 0.835 nan 8.290 nan 0.000 0.567 21 V N 1.394 121.310 119.914 0.004 0.000 2.233 21 V HA -0.133 3.979 4.120 -0.014 0.000 0.247 21 V C 2.568 178.670 176.094 0.014 0.000 1.050 21 V CA 2.637 64.942 62.300 0.009 0.000 1.010 21 V CB -0.298 31.530 31.823 0.008 0.000 0.637 21 V HN 0.755 nan 8.190 nan 0.000 0.444 22 E N -0.021 120.188 120.200 0.014 0.000 2.150 22 E HA -0.222 4.119 4.350 -0.014 0.000 0.193 22 E C 2.079 178.696 176.600 0.028 0.000 0.985 22 E CA 1.590 58.003 56.400 0.021 0.000 0.814 22 E CB -0.764 28.949 29.700 0.021 0.000 0.752 22 E HN 0.823 nan 8.360 nan 0.000 0.466 23 N N 0.638 119.350 118.700 0.020 0.000 2.270 23 N HA -0.103 4.628 4.740 -0.014 0.000 0.181 23 N C 1.775 177.296 175.510 0.019 0.000 1.016 23 N CA 0.669 53.728 53.050 0.017 0.000 0.870 23 N CB 0.327 38.809 38.487 -0.008 0.000 0.979 23 N HN -0.064 nan 8.380 nan 0.000 0.431 24 V N 0.804 120.728 119.914 0.016 0.000 2.548 24 V HA -0.141 3.971 4.120 -0.014 0.000 0.249 24 V C 2.155 178.269 176.094 0.034 0.000 1.055 24 V CA 1.589 63.902 62.300 0.021 0.000 1.065 24 V CB -0.541 31.293 31.823 0.018 0.000 0.681 24 V HN 0.409 nan 8.190 nan 0.000 0.462 25 T N -0.189 114.386 114.554 0.036 0.000 2.622 25 T HA -0.264 4.077 4.350 -0.014 0.000 0.266 25 T C 1.888 176.627 174.700 0.065 0.000 1.047 25 T CA 1.951 64.077 62.100 0.042 0.000 1.159 25 T CB -0.256 68.633 68.868 0.035 0.000 0.863 25 T HN 0.489 nan 8.240 nan 0.000 0.422 26 E N 0.939 121.185 120.200 0.076 0.000 2.097 26 E HA -0.113 4.229 4.350 -0.014 0.000 0.196 26 E C 2.069 178.760 176.600 0.151 0.000 1.000 26 E CA 1.056 57.521 56.400 0.108 0.000 0.804 26 E CB -0.566 29.205 29.700 0.119 0.000 0.740 26 E HN 0.449 nan 8.360 nan 0.000 0.454 27 L N 0.003 121.314 121.223 0.147 0.000 2.046 27 L HA -0.214 4.117 4.340 -0.014 0.000 0.208 27 L C 2.483 179.472 176.870 0.197 0.000 1.077 27 L CA 1.652 56.605 54.840 0.188 0.000 0.747 27 L CB -0.371 41.757 42.059 0.114 0.000 0.896 27 L HN 0.108 nan 8.230 nan 0.000 0.432 28 K N 0.299 120.773 120.400 0.123 0.000 2.057 28 K HA -0.234 4.078 4.320 -0.014 0.000 0.207 28 K C 2.082 178.790 176.600 0.181 0.000 1.049 28 K CA 1.680 58.031 56.287 0.107 0.000 0.931 28 K CB -0.117 32.402 32.500 0.033 0.000 0.714 28 K HN 0.129 nan 8.250 nan 0.000 0.440 29 K N 1.444 121.932 120.400 0.147 0.000 2.032 29 K HA -0.158 4.153 4.320 -0.014 0.000 0.209 29 K C 1.528 178.238 176.600 0.184 0.000 1.048 29 K CA 2.073 58.444 56.287 0.140 0.000 0.927 29 K CB -0.337 32.223 32.500 0.100 0.000 0.712 29 K HN -0.021 nan 8.250 nan 0.000 0.441 30 N N -0.687 118.141 118.700 0.212 0.000 2.309 30 N HA -0.028 4.703 4.740 -0.014 0.000 0.182 30 N C 1.236 176.960 175.510 0.356 0.000 1.018 30 N CA 0.987 54.182 53.050 0.240 0.000 0.876 30 N CB -0.247 38.395 38.487 0.258 0.000 0.972 30 N HN 0.296 nan 8.380 nan 0.000 0.434 31 F N 1.418 121.494 119.950 0.210 0.000 2.098 31 F HA -0.018 4.501 4.527 -0.014 0.000 0.294 31 F C 1.906 177.825 175.800 0.199 0.000 1.107 31 F CA 1.194 59.323 58.000 0.215 0.000 1.234 31 F CB -0.201 38.896 39.000 0.163 0.000 1.002 31 F HN 0.019 nan 8.300 nan 0.000 0.472 32 N N 0.528 119.489 118.700 0.435 0.000 2.166 32 N HA -0.187 4.545 4.740 -0.014 0.000 0.186 32 N C 2.128 177.734 175.510 0.159 0.000 1.019 32 N CA 0.802 54.012 53.050 0.267 0.000 0.856 32 N CB -0.531 38.086 38.487 0.216 0.000 0.993 32 N HN 0.275 nan 8.380 nan 0.000 0.426 33 R N 1.124 121.733 120.500 0.182 0.000 2.083 33 R HA -0.125 4.207 4.340 -0.014 0.000 0.237 33 R C 1.449 177.834 176.300 0.141 0.000 1.137 33 R CA 1.603 57.840 56.100 0.229 0.000 0.951 33 R CB -0.571 29.794 30.300 0.108 0.000 0.851 33 R HN 0.427 nan 8.270 nan 0.000 0.434 34 H N -0.275 118.845 119.070 0.084 0.000 2.495 34 H HA -0.067 4.480 4.556 -0.014 0.000 0.287 34 H C 1.678 176.946 175.328 -0.100 0.000 1.033 34 H CA 1.062 57.096 56.048 -0.023 0.000 1.307 34 H CB 0.107 29.821 29.762 -0.079 0.000 1.401 34 H HN 0.101 nan 8.280 nan 0.000 0.555 35 L N -0.185 121.029 121.223 -0.014 0.000 2.056 35 L HA -0.140 4.192 4.340 -0.014 0.000 0.207 35 L C 2.238 179.076 176.870 -0.054 0.000 1.078 35 L CA 1.793 56.576 54.840 -0.095 0.000 0.749 35 L CB -0.428 41.576 42.059 -0.092 0.000 0.901 35 L HN 0.268 nan 8.230 nan 0.000 0.433 36 H N -1.248 117.701 119.070 -0.202 0.000 2.265 36 H HA -0.087 4.461 4.556 -0.014 0.000 0.305 36 H C 1.885 176.948 175.328 -0.442 0.000 1.054 36 H CA 2.308 58.127 56.048 -0.381 0.000 1.296 36 H CB -0.532 28.888 29.762 -0.571 0.000 1.395 36 H HN 0.262 nan 8.280 nan 0.000 0.502 37 F N 0.067 119.975 119.950 -0.070 0.000 2.171 37 F HA -0.124 4.395 4.527 -0.014 0.000 0.300 37 F C 2.625 178.330 175.800 -0.160 0.000 1.090 37 F CA 1.738 59.632 58.000 -0.177 0.000 1.293 37 F CB -0.664 38.252 39.000 -0.140 0.000 1.013 37 F HN 0.251 nan 8.300 nan 0.000 0.486 38 T N -0.736 113.817 114.554 -0.001 0.000 3.021 38 T HA 0.099 4.441 4.350 -0.014 0.000 0.245 38 T C 1.946 176.570 174.700 -0.127 0.000 1.028 38 T CA 0.349 62.404 62.100 -0.074 0.000 1.139 38 T CB -0.099 68.727 68.868 -0.071 0.000 0.884 38 T HN -0.018 nan 8.240 nan 0.000 0.457 39 L N 1.392 122.546 121.223 -0.116 0.000 2.341 39 L HA 0.173 4.505 4.340 -0.014 0.000 0.214 39 L C 0.854 177.646 176.870 -0.131 0.000 1.115 39 L CA 0.698 55.459 54.840 -0.132 0.000 0.820 39 L CB -0.883 41.099 42.059 -0.128 0.000 0.944 39 L HN 0.122 nan 8.230 nan 0.000 0.452 40 V N 0.356 120.181 119.914 -0.149 0.000 5.767 40 V HA -0.274 3.837 4.120 -0.014 0.000 0.311 40 V C 0.422 176.445 176.094 -0.119 0.000 0.532 40 V CA 0.964 63.162 62.300 -0.169 0.000 0.659 40 V CB -1.966 29.771 31.823 -0.143 0.000 0.353 40 V HN 0.387 nan 8.190 nan 0.000 1.082 41 K N 1.401 121.741 120.400 -0.100 0.000 2.352 41 K HA 0.730 5.042 4.320 -0.014 0.000 0.240 41 K C -0.327 176.259 176.600 -0.022 0.000 1.017 41 K CA -0.490 55.753 56.287 -0.072 0.000 0.851 41 K CB 2.434 34.867 32.500 -0.112 0.000 1.261 41 K HN 0.588 nan 8.250 nan 0.000 0.451 42 D N -0.473 119.916 120.400 -0.019 0.000 2.575 42 D HA 0.267 4.898 4.640 -0.014 0.000 0.236 42 D C 0.322 176.619 176.300 -0.005 0.000 1.075 42 D CA -0.610 53.389 54.000 -0.003 0.000 0.860 42 D CB 1.620 42.422 40.800 0.004 0.000 1.475 42 D HN 0.284 nan 8.370 nan 0.000 0.474 43 R N 0.615 121.136 120.500 0.035 0.000 2.211 43 R HA -0.114 4.218 4.340 -0.014 0.000 0.240 43 R C 1.280 177.637 176.300 0.094 0.000 1.144 43 R CA 0.879 57.045 56.100 0.111 0.000 0.992 43 R CB -0.275 30.131 30.300 0.177 0.000 0.869 43 R HN 0.529 nan 8.270 nan 0.000 0.462 44 N N 0.174 118.904 118.700 0.050 0.000 2.457 44 N HA -0.089 4.643 4.740 -0.014 0.000 0.180 44 N C 1.314 176.844 175.510 0.033 0.000 1.050 44 N CA 0.758 53.835 53.050 0.045 0.000 0.906 44 N CB 0.422 38.925 38.487 0.028 0.000 0.968 44 N HN 0.052 nan 8.380 nan 0.000 0.445 45 V N 0.296 120.215 119.914 0.009 0.000 3.528 45 V HA 0.375 4.486 4.120 -0.014 0.000 0.294 45 V C 0.051 176.131 176.094 -0.025 0.000 1.404 45 V CA -0.167 62.133 62.300 -0.000 0.000 1.065 45 V CB -0.016 31.802 31.823 -0.009 0.000 0.904 45 V HN 0.074 nan 8.190 nan 0.000 0.435 46 A N 1.337 124.116 122.820 -0.068 0.000 2.309 46 A HA 0.608 4.919 4.320 -0.014 0.000 0.290 46 A C 0.706 178.220 177.584 -0.118 0.000 1.206 46 A CA 0.328 52.242 52.037 -0.205 0.000 0.850 46 A CB 0.050 18.735 19.000 -0.526 0.000 1.118 46 A HN 0.599 nan 8.150 nan 0.000 0.523 47 T N 1.587 116.115 114.554 -0.044 0.000 2.813 47 T HA 0.303 4.644 4.350 -0.014 0.000 0.297 47 T C -1.711 173.127 174.700 0.229 0.000 1.036 47 T CA -1.103 61.056 62.100 0.099 0.000 1.044 47 T CB 0.230 69.147 68.868 0.082 0.000 0.993 47 T HN 0.320 nan 8.240 nan 0.000 0.535 48 P HA -0.248 nan 4.420 nan 0.000 0.219 48 P C 1.730 179.217 177.300 0.311 0.000 1.158 48 P CA 1.565 64.886 63.100 0.369 0.000 0.895 48 P CB -0.000 31.821 31.700 0.201 0.000 0.792 49 R N -0.236 120.383 120.500 0.199 0.000 2.080 49 R HA -0.173 4.158 4.340 -0.014 0.000 0.236 49 R C 1.802 178.294 176.300 0.320 0.000 1.137 49 R CA 2.264 58.497 56.100 0.222 0.000 0.943 49 R CB -0.840 29.529 30.300 0.115 0.000 0.846 49 R HN 0.126 nan 8.270 nan 0.000 0.431 50 D N -0.459 120.031 120.400 0.149 0.000 2.149 50 D HA -0.192 4.440 4.640 -0.014 0.000 0.198 50 D C 1.816 178.100 176.300 -0.026 0.000 0.990 50 D CA 1.316 55.330 54.000 0.023 0.000 0.839 50 D CB -0.393 40.297 40.800 -0.183 0.000 0.948 50 D HN 0.347 nan 8.370 nan 0.000 0.460 51 Y N -0.029 120.360 120.300 0.148 0.000 2.224 51 Y HA -0.217 4.324 4.550 -0.014 0.000 0.289 51 Y C 2.325 178.314 175.900 0.148 0.000 1.146 51 Y CA 0.627 58.838 58.100 0.185 0.000 1.182 51 Y CB -0.829 37.822 38.460 0.317 0.000 0.983 51 Y HN 0.069 nan 8.280 nan 0.000 0.524 52 Y N -0.642 119.795 120.300 0.229 0.000 2.145 52 Y HA -0.250 4.291 4.550 -0.014 0.000 0.286 52 Y C 1.854 177.723 175.900 -0.051 0.000 1.145 52 Y CA 1.152 59.283 58.100 0.052 0.000 1.148 52 Y CB -1.093 37.300 38.460 -0.111 0.000 0.981 52 Y HN 0.046 nan 8.280 nan 0.000 0.507 53 F N 0.232 119.886 119.950 -0.494 0.000 2.234 53 F HA -0.048 4.471 4.527 -0.014 0.000 0.299 53 F C 2.591 178.158 175.800 -0.388 0.000 1.087 53 F CA 1.236 58.897 58.000 -0.565 0.000 1.340 53 F CB -0.924 37.941 39.000 -0.225 0.000 1.031 53 F HN 0.194 nan 8.300 nan 0.000 0.500 54 A N -0.240 122.462 122.820 -0.195 0.000 1.930 54 A HA -0.102 4.210 4.320 -0.014 0.000 0.217 54 A C 2.275 179.647 177.584 -0.353 0.000 1.175 54 A CA 1.065 52.864 52.037 -0.395 0.000 0.627 54 A CB -0.889 17.587 19.000 -0.873 0.000 0.815 54 A HN 0.377 nan 8.150 nan 0.000 0.443 55 L N -0.699 120.433 121.223 -0.150 0.000 2.005 55 L HA -0.183 4.149 4.340 -0.014 0.000 0.207 55 L C 3.064 179.899 176.870 -0.057 0.000 1.072 55 L CA 1.361 56.280 54.840 0.132 0.000 0.744 55 L CB -0.591 41.635 42.059 0.278 0.000 0.895 55 L HN 0.451 nan 8.230 nan 0.000 0.433 56 A N -0.596 122.028 122.820 -0.327 0.000 1.903 56 A HA -0.332 3.979 4.320 -0.014 0.000 0.219 56 A C 1.873 179.090 177.584 -0.613 0.000 1.191 56 A CA 2.299 54.039 52.037 -0.496 0.000 0.638 56 A CB -1.111 17.276 19.000 -1.022 0.000 0.823 56 A HN 0.612 nan 8.150 nan 0.000 0.451 57 H N -1.247 117.520 119.070 -0.505 0.000 2.428 57 H HA -0.028 4.520 4.556 -0.014 0.000 0.296 57 H C 2.270 177.312 175.328 -0.477 0.000 1.062 57 H CA 1.708 57.392 56.048 -0.606 0.000 1.350 57 H CB 0.001 29.187 29.762 -0.959 0.000 1.403 57 H HN 0.497 nan 8.280 nan 0.000 0.533 58 T N -0.417 114.039 114.554 -0.163 0.000 2.904 58 T HA -0.093 4.249 4.350 -0.014 0.000 0.267 58 T C 2.176 177.043 174.700 0.278 0.000 1.059 58 T CA 1.001 63.185 62.100 0.140 0.000 1.137 58 T CB -0.178 68.850 68.868 0.266 0.000 0.879 58 T HN 0.094 nan 8.240 nan 0.000 0.467 59 V N 1.287 121.345 119.914 0.240 0.000 2.346 59 V HA -0.039 4.073 4.120 -0.014 0.000 0.244 59 V C 2.711 178.997 176.094 0.320 0.000 1.037 59 V CA 1.208 63.706 62.300 0.329 0.000 1.029 59 V CB -0.500 31.516 31.823 0.322 0.000 0.663 59 V HN 0.286 nan 8.190 nan 0.000 0.454 60 R N 0.075 120.724 120.500 0.249 0.000 2.139 60 R HA -0.214 4.118 4.340 -0.014 0.000 0.243 60 R C 1.956 178.356 176.300 0.167 0.000 1.145 60 R CA 1.907 58.151 56.100 0.239 0.000 0.976 60 R CB -0.497 29.806 30.300 0.006 0.000 0.866 60 R HN 0.521 nan 8.270 nan 0.000 0.449 61 D N -0.636 119.823 120.400 0.099 0.000 2.097 61 D HA -0.137 4.495 4.640 -0.014 0.000 0.195 61 D C 1.710 177.973 176.300 -0.062 0.000 0.989 61 D CA 1.369 55.380 54.000 0.017 0.000 0.827 61 D CB -0.383 40.399 40.800 -0.030 0.000 0.966 61 D HN 0.432 nan 8.370 nan 0.000 0.456 62 H N -0.700 118.441 119.070 0.120 0.000 2.489 62 H HA -0.056 4.492 4.556 -0.014 0.000 0.295 62 H C 1.520 176.898 175.328 0.083 0.000 1.082 62 H CA 0.973 57.075 56.048 0.089 0.000 1.295 62 H CB -0.003 29.803 29.762 0.074 0.000 1.380 62 H HN 0.167 nan 8.280 nan 0.000 0.548 63 L N -1.120 120.210 121.223 0.178 0.000 2.640 63 L HA 0.154 4.486 4.340 -0.014 0.000 0.230 63 L C 1.793 178.786 176.870 0.205 0.000 1.123 63 L CA 0.013 54.938 54.840 0.142 0.000 0.900 63 L CB -0.733 41.372 42.059 0.077 0.000 1.146 63 L HN 0.117 nan 8.230 nan 0.000 0.484 64 V N -2.228 117.818 119.914 0.220 0.000 2.548 64 V HA 0.151 4.263 4.120 -0.014 0.000 0.249 64 V C 2.319 178.516 176.094 0.172 0.000 1.055 64 V CA 1.405 63.873 62.300 0.281 0.000 1.065 64 V CB -1.476 30.464 31.823 0.195 0.000 0.681 64 V HN 0.340 nan 8.190 nan 0.000 0.462 65 G N 0.161 109.023 108.800 0.103 0.000 2.418 65 G HA2 -0.204 3.748 3.960 -0.014 0.000 0.217 65 G HA3 -0.204 3.748 3.960 -0.014 0.000 0.217 65 G C 1.803 176.737 174.900 0.057 0.000 1.158 65 G CA 0.891 46.024 45.100 0.055 0.000 0.771 65 G HN 0.495 nan 8.290 nan 0.000 0.545 66 R N -1.437 119.113 120.500 0.083 0.000 2.073 66 R HA -0.044 4.288 4.340 -0.014 0.000 0.229 66 R C 2.255 178.627 176.300 0.120 0.000 1.120 66 R CA 0.973 57.110 56.100 0.062 0.000 0.967 66 R CB -0.343 29.982 30.300 0.042 0.000 0.862 66 R HN 0.462 nan 8.270 nan 0.000 0.436 67 W N 1.621 122.888 121.300 -0.054 0.000 2.335 67 W HA -0.122 4.530 4.660 -0.014 0.000 0.311 67 W C 1.654 178.124 176.519 -0.081 0.000 1.213 67 W CA 1.128 58.435 57.345 -0.062 0.000 1.274 67 W CB -0.611 28.833 29.460 -0.027 0.000 1.148 67 W HN -0.007 nan 8.180 nan 0.000 0.498 68 I N -0.143 120.430 120.570 0.005 0.000 2.202 68 I HA -0.302 3.860 4.170 -0.014 0.000 0.242 68 I C 2.715 178.775 176.117 -0.095 0.000 1.091 68 I CA 1.700 62.921 61.300 -0.132 0.000 1.368 68 I CB -0.709 37.226 38.000 -0.109 0.000 1.058 68 I HN -0.120 nan 8.210 nan 0.000 0.410 69 R N 0.429 120.900 120.500 -0.049 0.000 2.092 69 R HA -0.141 4.191 4.340 -0.014 0.000 0.231 69 R C 2.284 178.524 176.300 -0.101 0.000 1.119 69 R CA 1.881 57.948 56.100 -0.055 0.000 0.970 69 R CB -0.184 30.096 30.300 -0.034 0.000 0.864 69 R HN 0.272 nan 8.270 nan 0.000 0.440 70 T N 0.980 115.446 114.554 -0.146 0.000 2.674 70 T HA -0.131 4.210 4.350 -0.014 0.000 0.265 70 T C 1.717 176.139 174.700 -0.464 0.000 1.039 70 T CA 1.095 62.991 62.100 -0.341 0.000 1.150 70 T CB -0.123 68.602 68.868 -0.237 0.000 0.864 70 T HN 0.249 nan 8.240 nan 0.000 0.427 71 Q N 1.235 120.900 119.800 -0.225 0.000 2.084 71 Q HA -0.084 4.248 4.340 -0.014 0.000 0.202 71 Q C 2.460 178.361 176.000 -0.165 0.000 0.978 71 Q CA 1.440 57.158 55.803 -0.141 0.000 0.844 71 Q CB -0.536 28.131 28.738 -0.119 0.000 0.898 71 Q HN 0.661 nan 8.270 nan 0.000 0.426 72 Q N -0.478 119.206 119.800 -0.192 0.000 2.077 72 Q HA -0.241 4.090 4.340 -0.014 0.000 0.206 72 Q C 2.029 178.016 176.000 -0.022 0.000 0.989 72 Q CA 1.742 57.451 55.803 -0.156 0.000 0.853 72 Q CB -0.392 28.283 28.738 -0.105 0.000 0.907 72 Q HN 0.540 nan 8.270 nan 0.000 0.418 73 H N -0.577 118.411 119.070 -0.136 0.000 2.319 73 H HA -0.200 4.347 4.556 -0.014 0.000 0.299 73 H C 1.470 176.826 175.328 0.047 0.000 1.092 73 H CA 1.928 57.916 56.048 -0.100 0.000 1.302 73 H CB 0.022 29.644 29.762 -0.233 0.000 1.373 73 H HN 0.260 nan 8.280 nan 0.000 0.497 74 Y N -1.223 119.227 120.300 0.250 0.000 2.333 74 Y HA -0.193 4.349 4.550 -0.014 0.000 0.290 74 Y C 2.068 178.138 175.900 0.284 0.000 1.144 74 Y CA 0.702 58.948 58.100 0.242 0.000 1.228 74 Y CB -0.828 37.787 38.460 0.260 0.000 0.985 74 Y HN 0.360 nan 8.280 nan 0.000 0.542 75 Y N 0.401 120.817 120.300 0.193 0.000 2.220 75 Y HA -0.130 4.411 4.550 -0.014 0.000 0.291 75 Y C 2.269 178.189 175.900 0.033 0.000 1.129 75 Y CA 0.916 59.079 58.100 0.105 0.000 1.161 75 Y CB -0.360 38.147 38.460 0.077 0.000 0.997 75 Y HN 0.038 nan 8.280 nan 0.000 0.522 76 E N 0.539 120.833 120.200 0.156 0.000 2.017 76 E HA -0.184 4.158 4.350 -0.014 0.000 0.193 76 E C 1.633 178.224 176.600 -0.014 0.000 0.997 76 E CA 1.489 57.901 56.400 0.021 0.000 0.804 76 E CB -0.404 29.246 29.700 -0.084 0.000 0.757 76 E HN 0.398 nan 8.360 nan 0.000 0.448 77 K N 1.037 121.416 120.400 -0.035 0.000 2.417 77 K HA -0.009 4.303 4.320 -0.014 0.000 0.196 77 K C -0.252 176.367 176.600 0.032 0.000 1.023 77 K CA 0.168 56.443 56.287 -0.020 0.000 1.122 77 K CB 0.118 32.585 32.500 -0.056 0.000 0.850 77 K HN -0.002 nan 8.250 nan 0.000 0.521 78 D N 2.271 122.708 120.400 0.063 0.000 2.829 78 D HA -0.126 4.506 4.640 -0.014 0.000 0.219 78 D C -2.025 174.301 176.300 0.043 0.000 1.239 78 D CA 0.015 54.046 54.000 0.051 0.000 0.685 78 D CB 0.062 40.849 40.800 -0.022 0.000 0.950 78 D HN 0.221 nan 8.370 nan 0.000 0.398 79 P HA 0.049 nan 4.420 nan 0.000 0.274 79 P C -0.154 177.140 177.300 -0.010 0.000 1.260 79 P CA -0.539 62.575 63.100 0.023 0.000 0.793 79 P CB 0.592 32.301 31.700 0.015 0.000 1.048 80 K N 0.952 121.337 120.400 -0.025 0.000 2.298 80 K HA 0.139 4.451 4.320 -0.014 0.000 0.280 80 K C -0.058 176.470 176.600 -0.121 0.000 1.032 80 K CA -0.467 55.792 56.287 -0.047 0.000 0.958 80 K CB 0.458 32.943 32.500 -0.026 0.000 0.978 80 K HN 0.281 nan 8.250 nan 0.000 0.472 81 R N 3.929 124.333 120.500 -0.160 0.000 2.604 81 R HA 0.440 4.772 4.340 -0.014 0.000 0.287 81 R C -0.389 175.644 176.300 -0.446 0.000 0.970 81 R CA -0.830 55.088 56.100 -0.302 0.000 0.946 81 R CB 0.627 30.734 30.300 -0.321 0.000 1.127 81 R HN 0.594 nan 8.270 nan 0.000 0.473 82 I N 2.458 122.703 120.570 -0.542 0.000 2.378 82 I HA 0.295 4.457 4.170 -0.014 0.000 0.291 82 I C -0.845 175.012 176.117 -0.434 0.000 0.992 82 I CA -0.655 60.301 61.300 -0.573 0.000 1.154 82 I CB 1.065 38.585 38.000 -0.800 0.000 1.315 82 I HN 0.352 nan 8.210 nan 0.000 0.448 83 Y N 5.722 126.007 120.300 -0.025 0.000 2.328 83 Y HA 0.352 4.893 4.550 -0.014 0.000 0.336 83 Y C -0.729 175.295 175.900 0.205 0.000 0.960 83 Y CA -0.704 57.512 58.100 0.194 0.000 1.134 83 Y CB 1.258 39.773 38.460 0.092 0.000 1.166 83 Y HN 0.403 nan 8.280 nan 0.000 0.464 84 Y N 4.672 125.173 120.300 0.334 0.000 2.434 84 Y HA 0.516 5.058 4.550 -0.014 0.000 0.341 84 Y C -1.381 174.778 175.900 0.431 0.000 0.965 84 Y CA -1.134 57.154 58.100 0.313 0.000 1.205 84 Y CB 0.357 39.007 38.460 0.317 0.000 1.121 84 Y HN 0.556 nan 8.280 nan 0.000 0.507 85 L N 5.385 126.622 121.223 0.022 0.000 2.260 85 L HA 0.414 4.745 4.340 -0.014 0.000 0.289 85 L C -0.173 176.639 176.870 -0.096 0.000 1.057 85 L CA 0.202 55.100 54.840 0.096 0.000 0.811 85 L CB 1.151 43.252 42.059 0.069 0.000 1.184 85 L HN 0.603 nan 8.230 nan 0.000 0.429 86 S N 2.919 118.604 115.700 -0.024 0.000 2.614 86 S HA 0.432 4.894 4.470 -0.014 0.000 0.288 86 S C 0.441 175.020 174.600 -0.034 0.000 1.137 86 S CA -0.579 57.498 58.200 -0.205 0.000 0.992 86 S CB 0.904 63.728 63.200 -0.628 0.000 1.026 86 S HN 0.500 nan 8.310 nan 0.000 0.486 87 L N 3.508 124.800 121.223 0.115 0.000 2.675 87 L HA 0.367 4.698 4.340 -0.014 0.000 0.238 87 L C 0.608 177.595 176.870 0.195 0.000 1.155 87 L CA 1.129 56.092 54.840 0.205 0.000 0.881 87 L CB -0.388 41.815 42.059 0.239 0.000 1.008 87 L HN 0.670 nan 8.230 nan 0.000 0.443 88 E N -1.584 118.607 120.200 -0.014 0.000 2.308 88 E HA 0.422 4.764 4.350 -0.014 0.000 0.275 88 E C -1.474 174.977 176.600 -0.248 0.000 0.890 88 E CA -0.510 55.887 56.400 -0.004 0.000 0.754 88 E CB 1.724 31.421 29.700 -0.005 0.000 1.207 88 E HN -0.180 nan 8.360 nan 0.000 0.426 89 F N 2.506 122.547 119.950 0.152 0.000 2.579 89 F HA 0.252 4.770 4.527 -0.014 0.000 0.325 89 F C -1.047 174.827 175.800 0.123 0.000 1.162 89 F CA -0.694 57.391 58.000 0.140 0.000 0.946 89 F CB 1.183 40.257 39.000 0.124 0.000 1.211 89 F HN 0.416 nan 8.300 nan 0.000 0.447 90 Y N 5.700 126.084 120.300 0.139 0.000 2.717 90 Y HA 0.325 4.867 4.550 -0.014 0.000 0.329 90 Y C 0.549 176.462 175.900 0.022 0.000 1.017 90 Y CA -1.377 56.747 58.100 0.040 0.000 1.275 90 Y CB 0.723 39.190 38.460 0.011 0.000 1.109 90 Y HN 0.601 nan 8.280 nan 0.000 0.511 91 M N 2.374 122.096 119.600 0.204 0.000 2.334 91 M HA 0.129 4.600 4.480 -0.014 0.000 0.266 91 M C 1.383 177.650 176.300 -0.055 0.000 1.082 91 M CA 1.159 56.486 55.300 0.045 0.000 1.141 91 M CB -0.819 31.783 32.600 0.004 0.000 1.380 91 M HN 0.796 nan 8.290 nan 0.000 0.440 92 G N 1.428 110.210 108.800 -0.030 0.000 2.593 92 G HA2 -0.243 3.708 3.960 -0.014 0.000 0.237 92 G HA3 -0.243 3.708 3.960 -0.014 0.000 0.237 92 G C -0.423 174.413 174.900 -0.107 0.000 1.312 92 G CA -0.579 44.452 45.100 -0.115 0.000 0.896 92 G HN 0.443 nan 8.290 nan 0.000 0.574 93 R N -0.131 120.284 120.500 -0.141 0.000 2.410 93 R HA 0.544 4.875 4.340 -0.014 0.000 0.288 93 R C 1.205 177.380 176.300 -0.207 0.000 1.051 93 R CA 0.259 56.291 56.100 -0.115 0.000 1.021 93 R CB 1.084 31.315 30.300 -0.116 0.000 1.032 93 R HN 0.861 nan 8.270 nan 0.000 0.481 94 T N 0.049 114.421 114.554 -0.303 0.000 3.084 94 T HA 0.038 4.380 4.350 -0.014 0.000 0.270 94 T C 1.208 175.508 174.700 -0.668 0.000 1.008 94 T CA -0.257 61.497 62.100 -0.576 0.000 0.900 94 T CB 0.199 68.552 68.868 -0.859 0.000 1.084 94 T HN 0.365 nan 8.240 nan 0.000 0.538 95 L N 1.434 122.481 121.223 -0.292 0.000 2.023 95 L HA 0.239 4.571 4.340 -0.014 0.000 0.205 95 L C 2.614 179.415 176.870 -0.114 0.000 1.073 95 L CA 1.947 56.737 54.840 -0.082 0.000 0.745 95 L CB -0.809 41.411 42.059 0.269 0.000 0.900 95 L HN 0.351 nan 8.230 nan 0.000 0.435 96 Q N -0.687 119.053 119.800 -0.101 0.000 2.079 96 Q HA -0.238 4.094 4.340 -0.014 0.000 0.200 96 Q C 2.197 178.111 176.000 -0.143 0.000 0.974 96 Q CA 1.709 57.453 55.803 -0.097 0.000 0.840 96 Q CB -0.273 28.405 28.738 -0.100 0.000 0.898 96 Q HN 0.657 nan 8.270 nan 0.000 0.430 97 N N -0.891 117.685 118.700 -0.207 0.000 2.149 97 N HA -0.151 4.580 4.740 -0.014 0.000 0.188 97 N C 1.330 176.723 175.510 -0.196 0.000 1.019 97 N CA 1.776 54.699 53.050 -0.211 0.000 0.857 97 N CB 0.079 38.408 38.487 -0.263 0.000 0.997 97 N HN 0.226 nan 8.380 nan 0.000 0.426 98 T N 1.160 115.560 114.554 -0.257 0.000 2.812 98 T HA -0.022 4.320 4.350 -0.014 0.000 0.264 98 T C 2.082 176.715 174.700 -0.111 0.000 1.042 98 T CA 0.947 62.917 62.100 -0.216 0.000 1.140 98 T CB -0.026 68.655 68.868 -0.311 0.000 0.870 98 T HN 0.250 nan 8.240 nan 0.000 0.445 99 M N 0.544 120.096 119.600 -0.080 0.000 2.086 99 M HA -0.095 4.376 4.480 -0.014 0.000 0.261 99 M C 2.474 178.741 176.300 -0.056 0.000 1.067 99 M CA 1.324 56.595 55.300 -0.047 0.000 1.116 99 M CB -0.693 31.893 32.600 -0.023 0.000 1.348 99 M HN 0.090 nan 8.290 nan 0.000 0.407 100 V N 1.155 121.038 119.914 -0.051 0.000 2.233 100 V HA -0.286 3.826 4.120 -0.014 0.000 0.247 100 V C 1.713 177.803 176.094 -0.007 0.000 1.050 100 V CA 1.998 64.293 62.300 -0.009 0.000 1.010 100 V CB -0.899 30.924 31.823 0.000 0.000 0.637 100 V HN 0.484 nan 8.190 nan 0.000 0.444 101 N N -0.103 118.586 118.700 -0.020 0.000 2.609 101 N HA -0.007 4.724 4.740 -0.014 0.000 0.190 101 N C 1.165 176.574 175.510 -0.169 0.000 1.157 101 N CA 0.819 53.840 53.050 -0.048 0.000 0.918 101 N CB -0.136 38.336 38.487 -0.025 0.000 0.978 101 N HN 0.465 nan 8.380 nan 0.000 0.448 102 L N -1.255 119.887 121.223 -0.136 0.000 2.731 102 L HA 0.360 4.692 4.340 -0.014 0.000 0.240 102 L C 0.691 177.475 176.870 -0.142 0.000 1.120 102 L CA -0.021 54.742 54.840 -0.129 0.000 0.913 102 L CB 0.201 42.218 42.059 -0.069 0.000 1.213 102 L HN -0.014 nan 8.230 nan 0.000 0.515 103 A N 0.075 122.807 122.820 -0.147 0.000 3.031 103 A HA -0.213 4.099 4.320 -0.014 0.000 0.244 103 A C 0.812 178.341 177.584 -0.091 0.000 1.341 103 A CA 0.793 52.756 52.037 -0.124 0.000 0.943 103 A CB -1.945 16.972 19.000 -0.138 0.000 1.122 103 A HN 0.273 nan 8.150 nan 0.000 0.760 104 L N -0.329 120.842 121.223 -0.087 0.000 2.607 104 L HA 0.295 4.627 4.340 -0.014 0.000 0.228 104 L C 1.771 178.608 176.870 -0.055 0.000 1.123 104 L CA 1.644 56.431 54.840 -0.089 0.000 0.890 104 L CB -0.035 41.959 42.059 -0.108 0.000 1.103 104 L HN 0.563 nan 8.230 nan 0.000 0.468 105 E N -0.660 119.515 120.200 -0.040 0.000 2.158 105 E HA -0.139 4.202 4.350 -0.014 0.000 0.191 105 E C 1.499 178.087 176.600 -0.019 0.000 0.982 105 E CA 0.989 57.375 56.400 -0.023 0.000 0.823 105 E CB 0.174 29.862 29.700 -0.021 0.000 0.766 105 E HN 0.575 nan 8.360 nan 0.000 0.468 106 N N -0.649 118.037 118.700 -0.024 0.000 2.424 106 N HA 0.030 4.761 4.740 -0.014 0.000 0.178 106 N C 1.426 176.924 175.510 -0.020 0.000 1.060 106 N CA 0.427 53.464 53.050 -0.022 0.000 0.901 106 N CB 0.227 38.698 38.487 -0.026 0.000 0.979 106 N HN 0.113 nan 8.380 nan 0.000 0.451 107 A N 0.397 123.201 122.820 -0.027 0.000 1.855 107 A HA -0.127 4.184 4.320 -0.014 0.000 0.215 107 A C 2.283 179.861 177.584 -0.010 0.000 1.191 107 A CA 0.973 52.995 52.037 -0.024 0.000 0.613 107 A CB -0.896 18.075 19.000 -0.048 0.000 0.829 107 A HN 0.439 nan 8.150 nan 0.000 0.442 108 C N -0.450 118.846 119.300 -0.007 0.000 2.422 108 C HA -0.077 4.374 4.460 -0.014 0.000 0.279 108 C C 2.411 177.411 174.990 0.018 0.000 1.305 108 C CA 1.116 60.145 59.018 0.018 0.000 1.757 108 C CB -1.217 26.547 27.740 0.041 0.000 1.962 108 C HN 0.691 nan 8.230 nan 0.000 0.499 109 D N 0.626 121.035 120.400 0.015 0.000 2.144 109 D HA -0.110 4.522 4.640 -0.014 0.000 0.200 109 D C 2.132 178.460 176.300 0.047 0.000 0.978 109 D CA 1.304 55.317 54.000 0.022 0.000 0.833 109 D CB -0.189 40.612 40.800 0.002 0.000 0.961 109 D HN 0.445 nan 8.370 nan 0.000 0.470 110 E N 0.564 120.785 120.200 0.035 0.000 2.006 110 E HA -0.046 4.295 4.350 -0.014 0.000 0.192 110 E C 1.954 178.617 176.600 0.106 0.000 0.993 110 E CA 1.733 58.179 56.400 0.076 0.000 0.808 110 E CB -0.866 28.855 29.700 0.035 0.000 0.764 110 E HN 0.145 nan 8.360 nan 0.000 0.449 111 A N -0.103 122.737 122.820 0.032 0.000 1.894 111 A HA -0.339 3.972 4.320 -0.014 0.000 0.220 111 A C 2.540 180.064 177.584 -0.101 0.000 1.237 111 A CA 3.924 55.948 52.037 -0.022 0.000 0.660 111 A CB -1.846 17.144 19.000 -0.017 0.000 0.835 111 A HN 0.576 nan 8.150 nan 0.000 0.461 112 T N -3.895 110.592 114.554 -0.111 0.000 2.904 112 T HA -0.177 4.165 4.350 -0.014 0.000 0.267 112 T C 1.790 176.388 174.700 -0.171 0.000 1.059 112 T CA 1.552 63.513 62.100 -0.231 0.000 1.137 112 T CB -0.554 68.215 68.868 -0.165 0.000 0.879 112 T HN 0.577 nan 8.240 nan 0.000 0.467 113 Y N 2.143 122.365 120.300 -0.130 0.000 2.181 113 Y HA -0.075 4.467 4.550 -0.013 0.000 0.288 113 Y C 2.527 178.365 175.900 -0.103 0.000 1.146 113 Y CA 1.459 59.499 58.100 -0.100 0.000 1.164 113 Y CB -0.579 37.841 38.460 -0.066 0.000 0.982 113 Y HN 0.206 nan 8.280 nan 0.000 0.515 114 Q N -0.649 118.956 119.800 -0.326 0.000 2.291 114 Q HA -0.115 4.217 4.340 -0.014 0.000 0.206 114 Q C 1.383 177.203 176.000 -0.300 0.000 0.976 114 Q CA 0.896 56.500 55.803 -0.332 0.000 0.875 114 Q CB -0.044 28.642 28.738 -0.088 0.000 0.927 114 Q HN 0.393 nan 8.270 nan 0.000 0.450 115 L N -1.143 119.899 121.223 -0.300 0.000 2.591 115 L HA 0.162 4.494 4.340 -0.014 0.000 0.228 115 L C 1.149 177.841 176.870 -0.296 0.000 1.133 115 L CA 1.052 55.719 54.840 -0.288 0.000 0.880 115 L CB -0.204 41.609 42.059 -0.410 0.000 1.033 115 L HN 0.270 nan 8.230 nan 0.000 0.450 116 G N 0.012 108.605 108.800 -0.344 0.000 2.160 116 G HA2 -0.254 3.698 3.960 -0.014 0.000 0.244 116 G HA3 -0.254 3.698 3.960 -0.014 0.000 0.244 116 G C 0.053 174.803 174.900 -0.249 0.000 1.022 116 G CA 0.086 45.006 45.100 -0.300 0.000 0.741 116 G HN 0.264 nan 8.290 nan 0.000 0.508 117 L N 0.218 121.291 121.223 -0.250 0.000 2.322 117 L HA 0.510 4.842 4.340 -0.014 0.000 0.281 117 L C -0.078 176.742 176.870 -0.083 0.000 1.014 117 L CA -1.005 53.709 54.840 -0.209 0.000 0.815 117 L CB 1.820 43.703 42.059 -0.294 0.000 1.247 117 L HN 0.195 nan 8.230 nan 0.000 0.421 118 D N 2.590 122.969 120.400 -0.035 0.000 2.339 118 D HA 0.118 4.750 4.640 -0.014 0.000 0.241 118 D C 0.941 177.255 176.300 0.024 0.000 1.183 118 D CA -0.163 53.848 54.000 0.017 0.000 0.859 118 D CB 1.189 42.004 40.800 0.024 0.000 1.067 118 D HN 0.506 nan 8.370 nan 0.000 0.484 119 M N 3.098 122.718 119.600 0.035 0.000 2.108 119 M HA -0.169 4.302 4.480 -0.014 0.000 0.261 119 M C 1.375 177.707 176.300 0.053 0.000 1.066 119 M CA 1.632 56.963 55.300 0.052 0.000 1.107 119 M CB 0.066 32.695 32.600 0.049 0.000 1.356 119 M HN 0.501 nan 8.290 nan 0.000 0.406 120 E N 0.004 120.226 120.200 0.036 0.000 2.209 120 E HA -0.227 4.115 4.350 -0.014 0.000 0.196 120 E C 1.722 178.340 176.600 0.030 0.000 0.993 120 E CA 1.511 57.927 56.400 0.027 0.000 0.819 120 E CB -0.110 29.602 29.700 0.020 0.000 0.745 120 E HN 0.690 nan 8.360 nan 0.000 0.477 121 E N 0.349 120.572 120.200 0.038 0.000 2.031 121 E HA -0.194 4.148 4.350 -0.014 0.000 0.193 121 E C 1.944 178.572 176.600 0.046 0.000 0.994 121 E CA 0.785 57.208 56.400 0.039 0.000 0.800 121 E CB -0.023 29.704 29.700 0.044 0.000 0.752 121 E HN 0.093 nan 8.360 nan 0.000 0.447 122 L N 1.477 122.752 121.223 0.087 0.000 2.079 122 L HA -0.182 4.149 4.340 -0.014 0.000 0.210 122 L C 2.039 178.965 176.870 0.093 0.000 1.081 122 L CA 1.680 56.614 54.840 0.157 0.000 0.752 122 L CB -0.793 41.412 42.059 0.243 0.000 0.896 122 L HN 0.127 nan 8.230 nan 0.000 0.433 123 E N -0.754 119.480 120.200 0.056 0.000 2.150 123 E HA -0.163 4.179 4.350 -0.014 0.000 0.193 123 E C 1.698 178.230 176.600 -0.114 0.000 0.985 123 E CA 0.570 56.963 56.400 -0.012 0.000 0.814 123 E CB 0.013 29.713 29.700 -0.000 0.000 0.752 123 E HN 0.410 nan 8.360 nan 0.000 0.466 124 E N 0.394 120.546 120.200 -0.080 0.000 2.511 124 E HA -0.071 4.271 4.350 -0.014 0.000 0.196 124 E C 1.666 178.181 176.600 -0.143 0.000 1.066 124 E CA 0.295 56.646 56.400 -0.081 0.000 0.871 124 E CB 0.220 29.910 29.700 -0.017 0.000 0.863 124 E HN 0.314 nan 8.360 nan 0.000 0.520 125 I N 0.584 121.002 120.570 -0.253 0.000 2.617 125 I HA -0.081 4.081 4.170 -0.014 0.000 0.256 125 I C 1.246 177.028 176.117 -0.558 0.000 1.167 125 I CA 0.343 61.431 61.300 -0.353 0.000 1.469 125 I CB -0.501 37.299 38.000 -0.334 0.000 1.098 125 I HN 0.090 nan 8.210 nan 0.000 0.436 126 E N 2.536 122.281 120.200 -0.758 0.000 2.366 126 E HA -0.059 4.283 4.350 -0.014 0.000 0.266 126 E C 0.107 176.581 176.600 -0.210 0.000 1.015 126 E CA -0.169 55.836 56.400 -0.659 0.000 0.906 126 E CB 0.685 30.055 29.700 -0.551 0.000 0.979 126 E HN 0.091 nan 8.360 nan 0.000 0.443 127 E N 3.214 123.382 120.200 -0.052 0.000 2.436 127 E HA -0.027 4.314 4.350 -0.014 0.000 0.262 127 E C -1.063 175.606 176.600 0.115 0.000 1.063 127 E CA 0.126 56.588 56.400 0.103 0.000 0.944 127 E CB 0.576 30.433 29.700 0.261 0.000 0.950 127 E HN 0.371 nan 8.360 nan 0.000 0.444 128 D N 1.742 122.197 120.400 0.092 0.000 2.308 128 D HA 0.291 4.922 4.640 -0.014 0.000 0.251 128 D C -0.811 175.500 176.300 0.018 0.000 1.127 128 D CA 0.056 54.083 54.000 0.044 0.000 0.876 128 D CB 1.190 42.007 40.800 0.028 0.000 1.176 128 D HN 0.481 nan 8.370 nan 0.000 0.446 129 A N 2.531 125.319 122.820 -0.052 0.000 2.655 129 A HA 0.410 4.721 4.320 -0.014 0.000 0.297 129 A C 1.191 178.606 177.584 -0.282 0.000 1.461 129 A CA -0.293 51.503 52.037 -0.402 0.000 1.146 129 A CB -0.562 18.255 19.000 -0.306 0.000 1.108 129 A HN 0.581 nan 8.150 nan 0.000 0.550 130 G N 2.062 110.671 108.800 -0.320 0.000 3.574 130 G HA2 0.371 4.323 3.960 -0.014 0.000 0.262 130 G HA3 0.371 4.323 3.960 -0.014 0.000 0.262 130 G C 0.391 175.036 174.900 -0.424 0.000 1.231 130 G CA -0.363 44.617 45.100 -0.200 0.000 1.608 130 G HN 0.708 nan 8.290 nan 0.000 0.628 131 L N 1.420 122.434 121.223 -0.348 0.000 2.930 131 L HA 0.326 4.658 4.340 -0.014 0.000 0.250 131 L C 1.130 177.904 176.870 -0.160 0.000 1.320 131 L CA -0.176 54.566 54.840 -0.162 0.000 1.163 131 L CB -0.492 41.584 42.059 0.029 0.000 1.542 131 L HN 0.310 nan 8.230 nan 0.000 0.428 132 G N -1.322 107.151 108.800 -0.545 0.000 2.649 132 G HA2 0.238 4.190 3.960 -0.014 0.000 0.290 132 G HA3 0.238 4.190 3.960 -0.014 0.000 0.290 132 G C -0.138 174.263 174.900 -0.832 0.000 1.426 132 G CA -0.453 44.296 45.100 -0.585 0.000 0.794 132 G HN -0.026 nan 8.290 nan 0.000 0.483 133 N N -0.925 117.515 118.700 -0.433 0.000 2.510 133 N HA 0.266 4.997 4.740 -0.014 0.000 0.186 133 N C 1.075 176.585 175.510 0.001 0.000 1.051 133 N CA 1.100 54.022 53.050 -0.213 0.000 0.877 133 N CB 1.755 40.225 38.487 -0.027 0.000 1.183 133 N HN 0.873 nan 8.380 nan 0.000 0.443 134 G N -0.258 108.629 108.800 0.146 0.000 2.600 134 G HA2 0.078 4.030 3.960 -0.014 0.000 0.072 134 G HA3 0.078 4.030 3.960 -0.014 0.000 0.072 134 G C 0.673 175.695 174.900 0.204 0.000 1.051 134 G CA 0.157 45.440 45.100 0.305 0.000 1.230 134 G HN 0.149 nan 8.290 nan 0.000 0.547 135 G N 0.225 109.086 108.800 0.102 0.000 2.469 135 G HA2 0.001 3.952 3.960 -0.014 0.000 0.220 135 G HA3 0.001 3.952 3.960 -0.014 0.000 0.220 135 G C 1.833 176.745 174.900 0.020 0.000 1.136 135 G CA 1.937 47.067 45.100 0.050 0.000 0.759 135 G HN 0.754 nan 8.290 nan 0.000 0.562 136 L N 1.320 122.536 121.223 -0.012 0.000 1.988 136 L HA 0.187 4.519 4.340 -0.014 0.000 0.207 136 L C 2.887 179.718 176.870 -0.066 0.000 1.071 136 L CA 2.454 57.219 54.840 -0.126 0.000 0.744 136 L CB -1.082 40.886 42.059 -0.153 0.000 0.893 136 L HN 0.158 nan 8.230 nan 0.000 0.433 137 G N -1.096 107.712 108.800 0.013 0.000 2.432 137 G HA2 -0.262 3.689 3.960 -0.014 0.000 0.219 137 G HA3 -0.262 3.689 3.960 -0.014 0.000 0.219 137 G C 1.785 176.773 174.900 0.147 0.000 1.135 137 G CA 0.462 45.594 45.100 0.053 0.000 0.767 137 G HN 0.201 nan 8.290 nan 0.000 0.550 138 R N -0.114 120.497 120.500 0.185 0.000 2.090 138 R HA 0.119 4.450 4.340 -0.014 0.000 0.228 138 R C 2.470 178.790 176.300 0.034 0.000 1.110 138 R CA 0.609 56.796 56.100 0.144 0.000 0.973 138 R CB -0.925 29.432 30.300 0.095 0.000 0.869 138 R HN 0.413 nan 8.270 nan 0.000 0.440 139 L N 0.792 121.975 121.223 -0.067 0.000 2.012 139 L HA -0.120 4.211 4.340 -0.014 0.000 0.210 139 L C 2.197 178.783 176.870 -0.474 0.000 1.073 139 L CA 2.321 56.984 54.840 -0.294 0.000 0.748 139 L CB -0.909 40.977 42.059 -0.288 0.000 0.891 139 L HN 0.174 nan 8.230 nan 0.000 0.431 140 A N -0.352 122.335 122.820 -0.222 0.000 1.873 140 A HA -0.252 4.059 4.320 -0.014 0.000 0.218 140 A C 2.482 180.166 177.584 0.166 0.000 1.193 140 A CA 2.501 54.540 52.037 0.004 0.000 0.629 140 A CB -1.447 17.585 19.000 0.054 0.000 0.826 140 A HN 0.630 nan 8.150 nan 0.000 0.447 141 A N -1.359 121.587 122.820 0.211 0.000 1.917 141 A HA -0.219 4.093 4.320 -0.014 0.000 0.219 141 A C 2.352 180.001 177.584 0.108 0.000 1.182 141 A CA 1.897 54.048 52.037 0.190 0.000 0.633 141 A CB -1.282 17.816 19.000 0.163 0.000 0.819 141 A HN 0.631 nan 8.150 nan 0.000 0.448 142 C N -1.826 117.530 119.300 0.093 0.000 2.466 142 C HA 0.028 4.480 4.460 -0.014 0.000 0.278 142 C C 2.432 177.548 174.990 0.210 0.000 1.288 142 C CA 0.454 59.556 59.018 0.140 0.000 1.722 142 C CB -1.472 26.369 27.740 0.168 0.000 2.017 142 C HN 0.620 nan 8.230 nan 0.000 0.488 143 F N 0.801 120.751 119.950 -0.000 0.000 2.095 143 F HA -0.108 4.411 4.527 -0.014 0.000 0.298 143 F C 2.132 177.877 175.800 -0.091 0.000 1.104 143 F CA 1.166 59.112 58.000 -0.089 0.000 1.232 143 F CB -1.551 37.267 39.000 -0.304 0.000 0.987 143 F HN 0.103 nan 8.300 nan 0.000 0.475 144 L N 0.384 121.679 121.223 0.120 0.000 2.012 144 L HA -0.263 4.069 4.340 -0.014 0.000 0.210 144 L C 2.171 179.047 176.870 0.010 0.000 1.073 144 L CA 2.128 56.989 54.840 0.035 0.000 0.748 144 L CB -1.154 40.918 42.059 0.022 0.000 0.891 144 L HN 0.100 nan 8.230 nan 0.000 0.431 145 D N -1.693 118.719 120.400 0.019 0.000 2.123 145 D HA -0.183 4.448 4.640 -0.014 0.000 0.196 145 D C 2.157 178.469 176.300 0.021 0.000 0.992 145 D CA 1.469 55.467 54.000 -0.003 0.000 0.833 145 D CB 0.148 40.942 40.800 -0.009 0.000 0.954 145 D HN 0.231 nan 8.370 nan 0.000 0.455 146 S N -0.816 114.919 115.700 0.059 0.000 2.387 146 S HA -0.067 4.394 4.470 -0.014 0.000 0.226 146 S C 1.978 176.598 174.600 0.033 0.000 1.026 146 S CA 0.717 58.948 58.200 0.053 0.000 0.972 146 S CB -0.169 63.080 63.200 0.080 0.000 0.814 146 S HN 0.349 nan 8.310 nan 0.000 0.477 147 M N 1.104 120.718 119.600 0.024 0.000 2.159 147 M HA -0.105 4.367 4.480 -0.014 0.000 0.263 147 M C 2.418 178.714 176.300 -0.007 0.000 1.063 147 M CA 1.439 56.744 55.300 0.009 0.000 1.110 147 M CB -0.597 31.991 32.600 -0.020 0.000 1.374 147 M HN 0.387 nan 8.290 nan 0.000 0.411 148 A N -0.341 122.469 122.820 -0.016 0.000 1.968 148 A HA -0.075 4.237 4.320 -0.014 0.000 0.217 148 A C 2.146 179.732 177.584 0.004 0.000 1.169 148 A CA 1.675 53.701 52.037 -0.018 0.000 0.638 148 A CB -0.820 18.152 19.000 -0.046 0.000 0.812 148 A HN 0.416 nan 8.150 nan 0.000 0.446 149 T N -0.248 114.317 114.554 0.018 0.000 3.023 149 T HA 0.033 4.374 4.350 -0.014 0.000 0.266 149 T C 1.036 175.758 174.700 0.036 0.000 1.093 149 T CA 0.816 62.940 62.100 0.040 0.000 1.129 149 T CB -0.108 68.791 68.868 0.052 0.000 0.899 149 T HN 0.173 nan 8.240 nan 0.000 0.491 150 L N 0.529 121.771 121.223 0.032 0.000 2.628 150 L HA 0.418 4.750 4.340 -0.014 0.000 0.229 150 L C 1.574 178.467 176.870 0.037 0.000 1.137 150 L CA 0.146 55.007 54.840 0.035 0.000 0.909 150 L CB -0.717 41.366 42.059 0.039 0.000 1.137 150 L HN 0.371 nan 8.230 nan 0.000 0.470 151 G N 0.317 109.138 108.800 0.035 0.000 2.246 151 G HA2 -0.265 3.687 3.960 -0.014 0.000 0.273 151 G HA3 -0.265 3.687 3.960 -0.014 0.000 0.273 151 G C 0.125 175.056 174.900 0.050 0.000 1.055 151 G CA 0.135 45.265 45.100 0.051 0.000 0.851 151 G HN 0.267 nan 8.290 nan 0.000 0.500 152 L N -0.094 121.133 121.223 0.005 0.000 2.307 152 L HA 0.669 5.000 4.340 -0.014 0.000 0.282 152 L C 1.046 177.766 176.870 -0.250 0.000 1.051 152 L CA -0.575 54.223 54.840 -0.070 0.000 0.804 152 L CB 1.849 43.890 42.059 -0.030 0.000 1.197 152 L HN 0.292 nan 8.230 nan 0.000 0.431 153 A N 3.203 125.735 122.820 -0.480 0.000 2.797 153 A HA 0.603 4.914 4.320 -0.014 0.000 0.296 153 A C 0.173 177.398 177.584 -0.599 0.000 1.580 153 A CA -0.094 51.367 52.037 -0.960 0.000 1.277 153 A CB -0.490 17.883 19.000 -1.045 0.000 1.101 153 A HN 0.730 nan 8.150 nan 0.000 0.562 154 A N 2.198 124.671 122.820 -0.578 0.000 2.414 154 A HA 0.806 5.117 4.320 -0.014 0.000 0.306 154 A C -1.393 175.927 177.584 -0.441 0.000 1.054 154 A CA -0.475 51.323 52.037 -0.399 0.000 0.724 154 A CB 1.056 19.896 19.000 -0.266 0.000 1.267 154 A HN 0.637 nan 8.150 nan 0.000 0.418 155 Y N 0.287 120.527 120.300 -0.100 0.000 2.373 155 Y HA 0.557 5.099 4.550 -0.014 0.000 0.336 155 Y C 0.752 176.740 175.900 0.146 0.000 0.979 155 Y CA -0.821 57.288 58.100 0.015 0.000 1.080 155 Y CB 2.172 40.731 38.460 0.166 0.000 1.190 155 Y HN 0.876 nan 8.280 nan 0.000 0.446 156 G N 1.789 110.665 108.800 0.127 0.000 2.353 156 G HA2 0.402 4.353 3.960 -0.014 0.000 0.284 156 G HA3 0.402 4.353 3.960 -0.014 0.000 0.284 156 G C -1.740 173.216 174.900 0.095 0.000 1.172 156 G CA -0.255 44.992 45.100 0.245 0.000 0.854 156 G HN 0.541 nan 8.290 nan 0.000 0.485 157 Y N 1.411 121.990 120.300 0.464 0.000 2.363 157 Y HA 0.558 5.099 4.550 -0.014 0.000 0.325 157 Y C 0.723 176.945 175.900 0.537 0.000 0.984 157 Y CA -0.020 58.308 58.100 0.381 0.000 1.248 157 Y CB 2.151 40.844 38.460 0.389 0.000 1.116 157 Y HN 0.827 nan 8.280 nan 0.000 0.470 158 G N 2.734 111.876 108.800 0.569 0.000 3.022 158 G HA2 0.657 4.608 3.960 -0.014 0.000 0.284 158 G HA3 0.657 4.608 3.960 -0.014 0.000 0.284 158 G C -1.520 173.617 174.900 0.396 0.000 1.375 158 G CA -0.850 44.608 45.100 0.597 0.000 0.902 158 G HN 0.404 nan 8.290 nan 0.000 0.538 159 I N 0.397 121.086 120.570 0.199 0.000 2.412 159 I HA 0.386 4.547 4.170 -0.014 0.000 0.296 159 I C 0.378 176.402 176.117 -0.156 0.000 0.987 159 I CA -0.692 60.627 61.300 0.031 0.000 1.180 159 I CB 1.990 39.825 38.000 -0.276 0.000 1.340 159 I HN 0.326 nan 8.210 nan 0.000 0.455 160 R N 6.204 126.718 120.500 0.024 0.000 2.419 160 R HA 0.242 4.573 4.340 -0.014 0.000 0.305 160 R C -1.399 174.967 176.300 0.110 0.000 1.242 160 R CA -0.379 55.766 56.100 0.075 0.000 1.105 160 R CB 0.082 30.398 30.300 0.026 0.000 1.116 160 R HN 0.382 nan 8.270 nan 0.000 0.523 161 Y N 1.782 122.256 120.300 0.289 0.000 2.309 161 Y HA 0.027 4.568 4.550 -0.014 0.000 0.327 161 Y C 1.417 177.514 175.900 0.329 0.000 1.172 161 Y CA -0.244 58.020 58.100 0.273 0.000 1.280 161 Y CB 1.158 39.757 38.460 0.232 0.000 1.234 161 Y HN 0.588 nan 8.280 nan 0.000 0.512 162 E N 1.552 121.967 120.200 0.357 0.000 2.072 162 E HA -0.036 4.305 4.350 -0.014 0.000 0.190 162 E C -0.674 175.832 176.600 -0.157 0.000 0.982 162 E CA 0.794 57.212 56.400 0.030 0.000 0.803 162 E CB 0.138 29.791 29.700 -0.077 0.000 0.755 162 E HN 0.390 nan 8.360 nan 0.000 0.453 163 F N 0.175 120.349 119.950 0.372 0.000 2.402 163 F HA 0.372 4.890 4.527 -0.014 0.000 0.355 163 F C 0.922 176.836 175.800 0.190 0.000 1.123 163 F CA -0.812 57.368 58.000 0.299 0.000 1.021 163 F CB 1.504 40.609 39.000 0.175 0.000 1.160 163 F HN -0.111 nan 8.300 nan 0.000 0.451 164 G N 2.292 111.231 108.800 0.233 0.000 2.514 164 G HA2 0.218 4.169 3.960 -0.014 0.000 0.245 164 G HA3 0.218 4.169 3.960 -0.014 0.000 0.245 164 G C -0.451 174.429 174.900 -0.033 0.000 1.488 164 G CA -0.487 44.592 45.100 -0.036 0.000 1.063 164 G HN 0.517 nan 8.290 nan 0.000 0.557 165 I N 0.825 121.303 120.570 -0.153 0.000 2.556 165 I HA 0.314 4.476 4.170 -0.014 0.000 0.284 165 I C 0.532 176.605 176.117 -0.074 0.000 1.114 165 I CA -1.344 59.856 61.300 -0.166 0.000 1.418 165 I CB -0.017 37.774 38.000 -0.348 0.000 1.394 165 I HN 0.365 nan 8.210 nan 0.000 0.552 166 F N 6.277 126.246 119.950 0.033 0.000 2.650 166 F HA 0.151 4.669 4.527 -0.014 0.000 0.355 166 F C 0.334 176.188 175.800 0.089 0.000 1.163 166 F CA -0.295 57.745 58.000 0.067 0.000 1.374 166 F CB -0.311 38.712 39.000 0.039 0.000 1.065 166 F HN 0.441 nan 8.300 nan 0.000 0.616 167 N N 2.669 121.548 118.700 0.300 0.000 2.430 167 N HA 0.067 4.799 4.740 -0.014 0.000 0.265 167 N C -0.757 174.976 175.510 0.371 0.000 1.100 167 N CA -0.287 52.900 53.050 0.229 0.000 0.961 167 N CB 1.086 39.704 38.487 0.218 0.000 1.075 167 N HN 0.758 nan 8.380 nan 0.000 0.478 168 Q N 2.361 122.349 119.800 0.313 0.000 2.286 168 Q HA 0.138 4.470 4.340 -0.014 0.000 0.257 168 Q C -0.893 175.261 176.000 0.256 0.000 0.941 168 Q CA -0.188 55.842 55.803 0.379 0.000 0.912 168 Q CB 0.602 29.552 28.738 0.354 0.000 1.192 168 Q HN 0.162 nan 8.270 nan 0.000 0.410 169 K N 4.160 124.693 120.400 0.221 0.000 2.270 169 K HA 0.482 4.794 4.320 -0.014 0.000 0.255 169 K C -0.817 175.866 176.600 0.138 0.000 0.936 169 K CA -0.786 55.600 56.287 0.165 0.000 0.809 169 K CB 1.537 34.118 32.500 0.135 0.000 1.131 169 K HN 0.600 nan 8.250 nan 0.000 0.427 170 I N 1.855 122.494 120.570 0.115 0.000 2.355 170 I HA 0.228 4.390 4.170 -0.014 0.000 0.288 170 I C -0.317 175.846 176.117 0.077 0.000 0.999 170 I CA -0.851 60.490 61.300 0.069 0.000 1.163 170 I CB 1.182 39.203 38.000 0.036 0.000 1.316 170 I HN 0.455 nan 8.210 nan 0.000 0.454 171 C N 5.068 124.425 119.300 0.095 0.000 2.455 171 C HA 0.615 5.067 4.460 -0.014 0.000 0.321 171 C C 1.005 176.087 174.990 0.152 0.000 1.102 171 C CA 0.247 59.327 59.018 0.104 0.000 1.413 171 C CB -0.267 27.531 27.740 0.096 0.000 1.952 171 C HN 1.110 nan 8.230 nan 0.000 0.428 172 G N 3.779 112.650 108.800 0.117 0.000 2.176 172 G HA2 0.089 4.040 3.960 -0.014 0.000 0.252 172 G HA3 0.089 4.040 3.960 -0.014 0.000 0.252 172 G C 1.235 176.169 174.900 0.056 0.000 1.024 172 G CA 1.104 46.292 45.100 0.146 0.000 0.755 172 G HN 2.523 nan 8.290 nan 0.000 0.507 173 G N -2.596 106.169 108.800 -0.058 0.000 2.205 173 G HA2 -0.310 3.641 3.960 -0.014 0.000 0.261 173 G HA3 -0.310 3.641 3.960 -0.014 0.000 0.261 173 G C 0.409 175.080 174.900 -0.381 0.000 0.980 173 G CA 0.786 45.726 45.100 -0.267 0.000 0.632 173 G HN 1.266 nan 8.290 nan 0.000 0.533 174 W N 1.066 122.306 121.300 -0.100 0.000 2.496 174 W HA 0.665 5.317 4.660 -0.014 0.000 0.327 174 W C 0.617 177.080 176.519 -0.093 0.000 1.086 174 W CA -0.885 56.396 57.345 -0.107 0.000 1.222 174 W CB 0.864 30.277 29.460 -0.077 0.000 1.304 174 W HN 0.224 nan 8.180 nan 0.000 0.547 175 Q N 2.602 122.498 119.800 0.160 0.000 2.332 175 Q HA 0.346 4.678 4.340 -0.014 0.000 0.263 175 Q C -1.005 175.054 176.000 0.097 0.000 0.979 175 Q CA -0.042 55.823 55.803 0.103 0.000 0.885 175 Q CB 0.673 29.466 28.738 0.092 0.000 1.218 175 Q HN 0.445 nan 8.270 nan 0.000 0.405 176 M N 3.180 122.830 119.600 0.082 0.000 2.326 176 M HA 0.321 4.793 4.480 -0.014 0.000 0.306 176 M C -1.520 174.798 176.300 0.030 0.000 1.054 176 M CA -0.276 55.043 55.300 0.032 0.000 0.922 176 M CB 2.240 34.873 32.600 0.054 0.000 1.632 176 M HN 0.533 nan 8.290 nan 0.000 0.436 177 E N 1.587 121.733 120.200 -0.090 0.000 2.242 177 E HA 0.546 4.887 4.350 -0.014 0.000 0.275 177 E C -1.085 175.518 176.600 0.005 0.000 1.002 177 E CA -0.554 55.762 56.400 -0.139 0.000 0.841 177 E CB 1.405 30.763 29.700 -0.570 0.000 1.109 177 E HN 0.514 nan 8.360 nan 0.000 0.394 178 E N 1.205 121.496 120.200 0.151 0.000 2.314 178 E HA 0.584 4.926 4.350 -0.014 0.000 0.272 178 E C -1.350 175.363 176.600 0.188 0.000 0.884 178 E CA -1.157 55.325 56.400 0.137 0.000 0.753 178 E CB 1.313 31.108 29.700 0.158 0.000 1.213 178 E HN 0.591 nan 8.360 nan 0.000 0.432 179 A N 3.282 126.176 122.820 0.123 0.000 2.520 179 A HA 0.060 4.372 4.320 -0.014 0.000 0.245 179 A C -0.092 177.697 177.584 0.342 0.000 1.072 179 A CA 0.171 52.308 52.037 0.166 0.000 0.761 179 A CB 0.184 19.159 19.000 -0.042 0.000 1.004 179 A HN 0.632 nan 8.150 nan 0.000 0.499 180 D N 1.951 122.622 120.400 0.451 0.000 2.468 180 D HA 0.086 4.717 4.640 -0.014 0.000 0.218 180 D C -0.532 176.071 176.300 0.504 0.000 1.155 180 D CA -0.053 54.190 54.000 0.405 0.000 0.924 180 D CB 0.319 41.290 40.800 0.286 0.000 1.029 180 D HN 0.456 nan 8.370 nan 0.000 0.515 181 D N 4.572 125.231 120.400 0.431 0.000 2.558 181 D HA -0.023 4.608 4.640 -0.014 0.000 0.221 181 D C 0.934 177.369 176.300 0.226 0.000 1.143 181 D CA -0.513 53.639 54.000 0.254 0.000 1.010 181 D CB 0.171 41.143 40.800 0.287 0.000 1.068 181 D HN 0.641 nan 8.370 nan 0.000 0.511 182 W N 3.302 124.619 121.300 0.029 0.000 2.825 182 W HA 0.017 4.669 4.660 -0.014 0.000 0.243 182 W C 0.254 176.832 176.519 0.099 0.000 1.293 182 W CA -0.155 57.241 57.345 0.085 0.000 1.403 182 W CB -0.574 28.935 29.460 0.081 0.000 1.134 182 W HN 0.246 nan 8.180 nan 0.000 0.666 183 L N 0.857 121.799 121.223 -0.469 0.000 2.640 183 L HA 0.204 4.536 4.340 -0.014 0.000 0.230 183 L C 2.697 179.457 176.870 -0.182 0.000 1.123 183 L CA -0.108 54.438 54.840 -0.490 0.000 0.900 183 L CB -0.484 41.099 42.059 -0.794 0.000 1.146 183 L HN -0.121 nan 8.230 nan 0.000 0.484 184 R N 0.542 120.996 120.500 -0.076 0.000 2.140 184 R HA -0.249 4.082 4.340 -0.014 0.000 0.250 184 R C 1.206 177.387 176.300 -0.198 0.000 1.150 184 R CA 2.184 58.206 56.100 -0.130 0.000 0.966 184 R CB -0.159 30.095 30.300 -0.078 0.000 0.869 184 R HN 0.322 nan 8.270 nan 0.000 0.445 185 Y N -0.676 119.650 120.300 0.042 0.000 2.507 185 Y HA 0.324 4.866 4.550 -0.014 0.000 0.254 185 Y C 0.836 176.742 175.900 0.011 0.000 1.171 185 Y CA 0.398 58.539 58.100 0.068 0.000 1.238 185 Y CB 1.181 39.808 38.460 0.280 0.000 1.148 185 Y HN 0.427 nan 8.280 nan 0.000 0.525 186 G N 1.484 110.346 108.800 0.104 0.000 2.756 186 G HA2 -0.266 3.686 3.960 -0.014 0.000 0.678 186 G HA3 -0.266 3.686 3.960 -0.014 0.000 0.678 186 G C -0.861 174.127 174.900 0.147 0.000 1.349 186 G CA -0.515 44.605 45.100 0.033 0.000 0.847 186 G HN 0.355 nan 8.290 nan 0.000 0.548 187 N N 0.843 119.578 118.700 0.058 0.000 2.531 187 N HA 0.515 5.246 4.740 -0.014 0.000 0.268 187 N C -1.710 173.796 175.510 -0.006 0.000 1.023 187 N CA -1.908 51.195 53.050 0.089 0.000 0.896 187 N CB 1.901 40.391 38.487 0.005 0.000 1.233 187 N HN 0.182 nan 8.380 nan 0.000 0.512 188 P HA 0.022 nan 4.420 nan 0.000 0.231 188 P C 0.023 176.953 177.300 -0.617 0.000 1.158 188 P CA 0.636 63.373 63.100 -0.605 0.000 0.763 188 P CB 0.012 30.977 31.700 -1.225 0.000 0.805 189 W N 0.643 121.977 121.300 0.058 0.000 2.762 189 W HA 0.101 4.753 4.660 -0.014 0.000 0.265 189 W C 1.180 177.750 176.519 0.086 0.000 1.263 189 W CA -0.368 56.999 57.345 0.037 0.000 1.411 189 W CB 0.041 29.515 29.460 0.023 0.000 1.065 189 W HN -0.074 nan 8.180 nan 0.000 0.609 190 E N 1.544 121.906 120.200 0.269 0.000 2.314 190 E HA 0.358 4.699 4.350 -0.014 0.000 0.262 190 E C -0.592 176.183 176.600 0.293 0.000 1.093 190 E CA -0.722 55.858 56.400 0.301 0.000 0.908 190 E CB 1.269 31.166 29.700 0.329 0.000 1.091 190 E HN -0.347 nan 8.360 nan 0.000 0.425 191 K N 1.012 121.601 120.400 0.315 0.000 2.616 191 K HA 0.384 4.696 4.320 -0.014 0.000 0.241 191 K C -1.233 175.414 176.600 0.078 0.000 0.961 191 K CA -0.444 55.964 56.287 0.200 0.000 0.942 191 K CB 1.313 33.938 32.500 0.208 0.000 1.153 191 K HN 0.668 nan 8.250 nan 0.000 0.452 192 A N 4.168 126.952 122.820 -0.061 0.000 2.546 192 A HA 0.263 4.574 4.320 -0.014 0.000 0.243 192 A C -0.203 177.216 177.584 -0.276 0.000 1.063 192 A CA 0.085 51.807 52.037 -0.525 0.000 0.757 192 A CB 0.158 18.862 19.000 -0.493 0.000 0.991 192 A HN 0.628 nan 8.150 nan 0.000 0.503 193 R N 3.075 123.417 120.500 -0.264 0.000 2.868 193 R HA 0.220 4.552 4.340 -0.014 0.000 0.289 193 R C -2.443 173.874 176.300 0.029 0.000 1.443 193 R CA -1.788 54.308 56.100 -0.006 0.000 1.651 193 R CB 0.337 30.733 30.300 0.161 0.000 1.242 193 R HN 0.461 nan 8.270 nan 0.000 0.621 194 P HA -0.214 nan 4.420 nan 0.000 0.217 194 P C 1.213 178.506 177.300 -0.012 0.000 1.148 194 P CA 1.159 64.248 63.100 -0.019 0.000 0.828 194 P CB 0.332 32.009 31.700 -0.038 0.000 0.783 195 E N -0.556 119.590 120.200 -0.090 0.000 2.267 195 E HA -0.180 4.161 4.350 -0.014 0.000 0.197 195 E C 0.501 176.891 176.600 -0.349 0.000 0.998 195 E CA 1.242 57.484 56.400 -0.263 0.000 0.830 195 E CB -1.020 28.408 29.700 -0.453 0.000 0.751 195 E HN 0.341 nan 8.360 nan 0.000 0.491 196 F N 1.872 121.852 119.950 0.049 0.000 2.850 196 F HA 0.251 4.769 4.527 -0.014 0.000 0.306 196 F C 0.368 176.267 175.800 0.165 0.000 1.162 196 F CA -0.462 57.599 58.000 0.102 0.000 1.327 196 F CB 0.495 39.563 39.000 0.114 0.000 0.953 196 F HN -0.302 nan 8.300 nan 0.000 0.507 197 T N 2.408 117.109 114.554 0.245 0.000 2.940 197 T HA 0.284 4.625 4.350 -0.014 0.000 0.309 197 T C -0.276 174.531 174.700 0.178 0.000 1.056 197 T CA 0.338 62.579 62.100 0.234 0.000 1.137 197 T CB 0.802 69.763 68.868 0.156 0.000 0.976 197 T HN -0.096 nan 8.240 nan 0.000 0.547 198 L N 4.992 126.294 121.223 0.132 0.000 2.388 198 L HA 0.573 4.905 4.340 -0.014 0.000 0.264 198 L C -2.262 174.568 176.870 -0.067 0.000 0.998 198 L CA -2.400 52.447 54.840 0.012 0.000 0.817 198 L CB 2.233 44.245 42.059 -0.079 0.000 1.338 198 L HN 0.389 nan 8.230 nan 0.000 0.414 199 P HA 0.334 nan 4.420 nan 0.000 0.290 199 P C -1.278 175.821 177.300 -0.337 0.000 1.276 199 P CA -0.383 62.589 63.100 -0.213 0.000 0.808 199 P CB 1.857 33.412 31.700 -0.241 0.000 0.966 200 V N 4.553 124.254 119.914 -0.353 0.000 2.448 200 V HA 0.271 4.383 4.120 -0.014 0.000 0.295 200 V C 0.303 176.085 176.094 -0.520 0.000 1.025 200 V CA -0.618 61.439 62.300 -0.406 0.000 0.859 200 V CB 1.163 32.795 31.823 -0.318 0.000 0.988 200 V HN 0.598 nan 8.190 nan 0.000 0.431 201 H N 4.329 123.232 119.070 -0.279 0.000 2.489 201 H HA 0.550 5.097 4.556 -0.014 0.000 0.322 201 H C -1.108 174.023 175.328 -0.328 0.000 1.091 201 H CA -0.010 55.809 56.048 -0.381 0.000 1.291 201 H CB 1.433 30.739 29.762 -0.759 0.000 1.436 201 H HN 0.440 nan 8.280 nan 0.000 0.480 202 F N 1.107 121.129 119.950 0.119 0.000 2.603 202 F HA 0.233 4.752 4.527 -0.014 0.000 0.317 202 F C -0.123 175.797 175.800 0.200 0.000 1.066 202 F CA -0.564 57.515 58.000 0.132 0.000 0.941 202 F CB 0.855 39.861 39.000 0.009 0.000 1.291 202 F HN 0.545 nan 8.300 nan 0.000 0.472 203 Y N 0.080 120.671 120.300 0.486 0.000 2.910 203 Y HA 0.063 4.605 4.550 -0.014 0.000 0.465 203 Y C 1.220 177.348 175.900 0.381 0.000 1.206 203 Y CA 0.603 58.902 58.100 0.331 0.000 2.474 203 Y CB -1.802 36.782 38.460 0.207 0.000 1.242 203 Y HN 1.289 nan 8.280 nan 0.000 0.634 204 G N 0.379 109.426 108.800 0.412 0.000 2.545 204 G HA2 0.256 4.207 3.960 -0.014 0.000 0.216 204 G HA3 0.256 4.207 3.960 -0.014 0.000 0.216 204 G C -0.716 174.387 174.900 0.337 0.000 1.314 204 G CA 0.760 46.018 45.100 0.263 0.000 0.906 204 G HN 1.421 nan 8.290 nan 0.000 0.563 205 R N -2.721 117.985 120.500 0.344 0.000 2.741 205 R HA 0.705 5.037 4.340 -0.014 0.000 0.274 205 R C -1.609 174.861 176.300 0.283 0.000 1.029 205 R CA -0.946 55.309 56.100 0.259 0.000 0.880 205 R CB 1.166 31.554 30.300 0.147 0.000 1.264 205 R HN 1.006 nan 8.270 nan 0.000 0.465 206 V N 1.519 121.510 119.914 0.128 0.000 2.384 206 V HA 0.334 4.446 4.120 -0.014 0.000 0.287 206 V C -0.320 175.738 176.094 -0.060 0.000 1.020 206 V CA -0.534 61.769 62.300 0.006 0.000 0.850 206 V CB 1.221 33.000 31.823 -0.073 0.000 0.987 206 V HN 0.814 nan 8.190 nan 0.000 0.436 207 E N 4.148 124.280 120.200 -0.114 0.000 2.212 207 E HA 0.502 4.843 4.350 -0.014 0.000 0.268 207 E C -1.147 175.321 176.600 -0.220 0.000 0.902 207 E CA -0.906 55.450 56.400 -0.074 0.000 0.779 207 E CB 1.885 31.576 29.700 -0.015 0.000 1.172 207 E HN 0.669 nan 8.360 nan 0.000 0.409 208 H N 2.800 121.878 119.070 0.013 0.000 2.690 208 H HA 0.157 4.705 4.556 -0.014 0.000 0.289 208 H C 0.002 175.332 175.328 0.004 0.000 1.089 208 H CA -0.321 55.731 56.048 0.006 0.000 1.299 208 H CB 1.239 31.002 29.762 0.000 0.000 1.405 208 H HN 0.651 nan 8.280 nan 0.000 0.463 209 T N 0.339 114.916 114.554 0.037 0.000 2.882 209 T HA 0.144 4.486 4.350 -0.014 0.000 0.287 209 T C 0.905 175.638 174.700 0.055 0.000 1.014 209 T CA -0.938 61.183 62.100 0.035 0.000 1.049 209 T CB 0.959 69.832 68.868 0.008 0.000 1.001 209 T HN 0.328 nan 8.240 nan 0.000 0.525 210 S N 1.651 117.376 115.700 0.041 0.000 3.513 210 S HA 0.203 4.665 4.470 -0.014 0.000 0.209 210 S C 0.530 175.146 174.600 0.028 0.000 1.446 210 S CA -0.485 57.737 58.200 0.038 0.000 1.150 210 S CB -0.264 62.951 63.200 0.027 0.000 1.266 210 S HN 0.816 nan 8.310 nan 0.000 0.502 211 Q N 0.678 120.495 119.800 0.029 0.000 2.399 211 Q HA 0.332 4.664 4.340 -0.014 0.000 0.205 211 Q C 0.432 176.445 176.000 0.022 0.000 0.733 211 Q CA 0.827 56.642 55.803 0.021 0.000 0.916 211 Q CB 0.652 29.397 28.738 0.012 0.000 1.299 211 Q HN 0.562 nan 8.270 nan 0.000 0.455 212 G N -0.434 108.377 108.800 0.020 0.000 2.600 212 G HA2 0.692 4.644 3.960 -0.014 0.000 0.293 212 G HA3 0.692 4.644 3.960 -0.014 0.000 0.293 212 G C -1.747 173.146 174.900 -0.012 0.000 1.408 212 G CA -0.264 44.843 45.100 0.012 0.000 0.782 212 G HN 0.308 nan 8.290 nan 0.000 0.482 213 A N -0.113 122.678 122.820 -0.049 0.000 2.324 213 A HA 0.857 5.169 4.320 -0.014 0.000 0.330 213 A C -0.252 177.264 177.584 -0.113 0.000 1.165 213 A CA -0.521 51.414 52.037 -0.170 0.000 0.813 213 A CB 1.220 20.089 19.000 -0.218 0.000 1.197 213 A HN 0.521 nan 8.150 nan 0.000 0.484 214 K N 0.767 121.096 120.400 -0.119 0.000 2.378 214 K HA 0.327 4.639 4.320 -0.014 0.000 0.252 214 K C -1.791 174.823 176.600 0.023 0.000 0.931 214 K CA -0.375 55.886 56.287 -0.043 0.000 0.794 214 K CB 2.259 34.729 32.500 -0.050 0.000 1.181 214 K HN 0.705 nan 8.250 nan 0.000 0.425 215 W N 4.490 125.686 121.300 -0.173 0.000 2.376 215 W HA 0.526 5.177 4.660 -0.014 0.000 0.312 215 W C -1.382 175.039 176.519 -0.164 0.000 1.060 215 W CA -0.819 56.430 57.345 -0.159 0.000 1.221 215 W CB 0.725 30.083 29.460 -0.169 0.000 1.281 215 W HN 0.270 nan 8.180 nan 0.000 0.456 216 V N 6.324 126.203 119.914 -0.058 0.000 3.158 216 V HA 0.465 4.576 4.120 -0.014 0.000 0.311 216 V C -0.502 175.501 176.094 -0.153 0.000 1.181 216 V CA -0.472 61.736 62.300 -0.153 0.000 1.054 216 V CB 2.137 33.921 31.823 -0.064 0.000 1.085 216 V HN 0.512 nan 8.190 nan 0.000 0.446 217 D N 1.342 121.657 120.400 -0.142 0.000 2.837 217 D HA -0.127 4.505 4.640 -0.014 0.000 0.230 217 D C 0.346 176.600 176.300 -0.078 0.000 1.152 217 D CA 1.486 55.431 54.000 -0.091 0.000 0.736 217 D CB -1.306 39.491 40.800 -0.004 0.000 1.084 217 D HN 1.002 nan 8.370 nan 0.000 0.429 218 T N -2.949 111.494 114.554 -0.186 0.000 2.913 218 T HA 0.387 4.729 4.350 -0.014 0.000 0.287 218 T C 0.305 175.025 174.700 0.033 0.000 1.008 218 T CA -0.802 61.232 62.100 -0.109 0.000 1.067 218 T CB 2.466 71.073 68.868 -0.434 0.000 0.996 218 T HN 0.143 nan 8.240 nan 0.000 0.513 219 Q N 1.036 120.958 119.800 0.203 0.000 2.327 219 Q HA 0.454 4.786 4.340 -0.014 0.000 0.254 219 Q C -1.183 174.937 176.000 0.199 0.000 0.952 219 Q CA -0.642 55.306 55.803 0.241 0.000 0.884 219 Q CB 0.974 29.934 28.738 0.371 0.000 1.224 219 Q HN 0.628 nan 8.270 nan 0.000 0.422 220 V N 3.926 123.910 119.914 0.118 0.000 2.483 220 V HA 0.441 4.553 4.120 -0.014 0.000 0.295 220 V C -0.465 175.699 176.094 0.117 0.000 1.035 220 V CA -0.591 61.704 62.300 -0.008 0.000 0.896 220 V CB 1.886 33.651 31.823 -0.097 0.000 0.986 220 V HN 0.583 nan 8.190 nan 0.000 0.447 221 V N 5.779 125.774 119.914 0.136 0.000 2.604 221 V HA 0.502 4.614 4.120 -0.014 0.000 0.305 221 V C -0.259 175.939 176.094 0.172 0.000 1.043 221 V CA -0.658 61.774 62.300 0.220 0.000 0.888 221 V CB 2.000 34.056 31.823 0.389 0.000 0.995 221 V HN 0.627 nan 8.190 nan 0.000 0.429 222 L N 3.455 124.789 121.223 0.185 0.000 2.334 222 L HA 0.774 5.106 4.340 -0.014 0.000 0.277 222 L C 0.362 177.428 176.870 0.327 0.000 1.075 222 L CA -0.370 54.577 54.840 0.178 0.000 0.804 222 L CB 1.411 43.560 42.059 0.149 0.000 1.174 222 L HN 0.752 nan 8.230 nan 0.000 0.438 223 A N 4.845 127.821 122.820 0.261 0.000 2.285 223 A HA 0.578 4.889 4.320 -0.014 0.000 0.310 223 A C -0.529 177.355 177.584 0.500 0.000 1.266 223 A CA -0.481 51.784 52.037 0.380 0.000 0.832 223 A CB 1.007 19.823 19.000 -0.307 0.000 1.163 223 A HN 0.789 nan 8.150 nan 0.000 0.499 224 M N 6.375 126.308 119.600 0.555 0.000 2.113 224 M HA 0.393 4.865 4.480 -0.014 0.000 0.352 224 M C -2.422 174.162 176.300 0.473 0.000 1.170 224 M CA -2.105 53.461 55.300 0.443 0.000 1.053 224 M CB 1.635 34.416 32.600 0.303 0.000 1.601 224 M HN 0.393 nan 8.290 nan 0.000 0.459 225 P HA 0.099 nan 4.420 nan 0.000 0.275 225 P C -1.861 175.398 177.300 -0.068 0.000 1.228 225 P CA 0.183 63.200 63.100 -0.138 0.000 0.786 225 P CB 0.436 31.865 31.700 -0.452 0.000 0.927 226 Y N 0.601 120.838 120.300 -0.106 0.000 2.329 226 Y HA 0.269 4.811 4.550 -0.014 0.000 0.328 226 Y C 0.041 175.928 175.900 -0.020 0.000 0.992 226 Y CA -0.383 57.717 58.100 -0.000 0.000 1.151 226 Y CB 1.453 39.946 38.460 0.054 0.000 1.150 226 Y HN 0.223 nan 8.280 nan 0.000 0.450 227 D N 2.090 122.604 120.400 0.189 0.000 2.177 227 D HA 0.421 5.052 4.640 -0.014 0.000 0.247 227 D C -0.559 175.922 176.300 0.302 0.000 1.063 227 D CA -0.278 53.861 54.000 0.233 0.000 0.867 227 D CB 1.736 42.766 40.800 0.384 0.000 1.168 227 D HN 0.344 nan 8.370 nan 0.000 0.445 228 T N 2.774 117.388 114.554 0.100 0.000 2.807 228 T HA 0.455 4.796 4.350 -0.014 0.000 0.279 228 T C -2.495 171.969 174.700 -0.393 0.000 0.993 228 T CA -1.527 60.537 62.100 -0.060 0.000 0.970 228 T CB 1.978 70.837 68.868 -0.016 0.000 0.950 228 T HN 0.179 nan 8.240 nan 0.000 0.441 229 P HA 0.249 nan 4.420 nan 0.000 0.276 229 P C -0.929 176.012 177.300 -0.599 0.000 1.235 229 P CA -0.333 62.040 63.100 -1.211 0.000 0.772 229 P CB 0.800 31.602 31.700 -1.496 0.000 0.871 230 V N 6.396 126.025 119.914 -0.475 0.000 2.304 230 V HA 0.261 4.372 4.120 -0.014 0.000 0.278 230 V C -1.881 174.065 176.094 -0.247 0.000 1.018 230 V CA -1.915 60.204 62.300 -0.302 0.000 0.814 230 V CB 1.438 33.124 31.823 -0.228 0.000 1.021 230 V HN 0.555 nan 8.190 nan 0.000 0.440 231 P HA 0.250 nan 4.420 nan 0.000 0.287 231 P C 0.327 177.569 177.300 -0.097 0.000 1.281 231 P CA 0.229 63.235 63.100 -0.156 0.000 0.781 231 P CB 1.679 33.285 31.700 -0.158 0.000 0.903 232 G N 3.094 111.854 108.800 -0.067 0.000 2.569 232 G HA2 0.063 4.014 3.960 -0.014 0.000 0.249 232 G HA3 0.063 4.014 3.960 -0.014 0.000 0.249 232 G C -0.984 173.922 174.900 0.010 0.000 1.216 232 G CA -0.407 44.682 45.100 -0.017 0.000 0.845 232 G HN 0.501 nan 8.290 nan 0.000 0.568 233 Y N 1.644 121.900 120.300 -0.073 0.000 2.650 233 Y HA 0.141 4.682 4.550 -0.014 0.000 0.342 233 Y C 1.684 177.544 175.900 -0.066 0.000 1.110 233 Y CA 0.044 58.098 58.100 -0.077 0.000 1.438 233 Y CB 0.001 38.413 38.460 -0.079 0.000 1.181 233 Y HN 0.751 nan 8.280 nan 0.000 0.526 234 R N 2.825 123.010 120.500 -0.525 0.000 3.701 234 R HA -0.353 3.979 4.340 -0.014 0.000 0.276 234 R C 0.306 176.471 176.300 -0.224 0.000 1.150 234 R CA 1.434 57.266 56.100 -0.446 0.000 0.763 234 R CB -2.039 27.833 30.300 -0.713 0.000 1.147 234 R HN 0.927 nan 8.270 nan 0.000 0.489 235 N N -0.596 118.022 118.700 -0.136 0.000 2.205 235 N HA 0.024 4.755 4.740 -0.014 0.000 0.201 235 N C 0.044 175.505 175.510 -0.082 0.000 1.128 235 N CA -0.236 52.764 53.050 -0.083 0.000 0.867 235 N CB 0.468 38.931 38.487 -0.040 0.000 0.996 235 N HN 0.083 nan 8.380 nan 0.000 0.503 236 N N -0.762 117.884 118.700 -0.090 0.000 2.828 236 N HA -0.139 4.593 4.740 -0.014 0.000 0.248 236 N C -1.087 174.374 175.510 -0.081 0.000 1.044 236 N CA 0.618 53.621 53.050 -0.079 0.000 0.851 236 N CB -1.440 37.003 38.487 -0.074 0.000 1.136 236 N HN 0.200 nan 8.380 nan 0.000 0.572 237 V N 1.176 121.045 119.914 -0.077 0.000 2.498 237 V HA 0.404 4.516 4.120 -0.014 0.000 0.279 237 V C 0.582 176.638 176.094 -0.064 0.000 1.048 237 V CA -0.405 61.852 62.300 -0.071 0.000 0.967 237 V CB 1.992 33.796 31.823 -0.032 0.000 0.988 237 V HN -0.029 nan 8.190 nan 0.000 0.473 238 V N 5.743 125.625 119.914 -0.053 0.000 2.419 238 V HA 0.454 4.566 4.120 -0.014 0.000 0.287 238 V C -0.122 175.955 176.094 -0.029 0.000 1.017 238 V CA -0.814 61.431 62.300 -0.092 0.000 0.844 238 V CB 1.521 33.296 31.823 -0.079 0.000 1.011 238 V HN 0.851 nan 8.190 nan 0.000 0.429 239 N N 1.996 120.642 118.700 -0.090 0.000 2.538 239 N HA 0.618 5.350 4.740 -0.014 0.000 0.292 239 N C -0.159 175.277 175.510 -0.123 0.000 1.262 239 N CA -0.377 52.638 53.050 -0.059 0.000 0.976 239 N CB 1.453 39.862 38.487 -0.129 0.000 1.161 239 N HN 0.565 nan 8.380 nan 0.000 0.598 240 T N 0.710 115.206 114.554 -0.096 0.000 2.861 240 T HA 0.401 4.743 4.350 -0.014 0.000 0.287 240 T C -0.378 174.251 174.700 -0.118 0.000 1.003 240 T CA -0.505 61.602 62.100 0.013 0.000 0.977 240 T CB 1.159 70.200 68.868 0.287 0.000 0.996 240 T HN 0.298 nan 8.240 nan 0.000 0.448 241 M N 3.721 123.214 119.600 -0.177 0.000 2.066 241 M HA 0.487 4.959 4.480 -0.014 0.000 0.340 241 M C -0.424 175.708 176.300 -0.280 0.000 1.053 241 M CA -0.721 54.399 55.300 -0.300 0.000 0.983 241 M CB 0.513 32.891 32.600 -0.369 0.000 1.520 241 M HN 0.461 nan 8.290 nan 0.000 0.428 242 R N 4.397 124.623 120.500 -0.456 0.000 2.255 242 R HA 0.587 4.918 4.340 -0.014 0.000 0.326 242 R C -1.928 174.082 176.300 -0.483 0.000 0.986 242 R CA -0.539 55.246 56.100 -0.524 0.000 0.847 242 R CB 0.921 30.712 30.300 -0.848 0.000 1.111 242 R HN 0.651 nan 8.270 nan 0.000 0.452 243 L N 5.461 126.502 121.223 -0.304 0.000 2.341 243 L HA 0.483 4.814 4.340 -0.014 0.000 0.278 243 L C -1.231 175.612 176.870 -0.046 0.000 1.005 243 L CA -0.428 54.351 54.840 -0.102 0.000 0.818 243 L CB 1.366 43.442 42.059 0.029 0.000 1.259 243 L HN 0.639 nan 8.230 nan 0.000 0.418 244 W N 2.320 123.758 121.300 0.230 0.000 2.376 244 W HA 0.638 5.290 4.660 -0.014 0.000 0.322 244 W C 0.458 177.224 176.519 0.412 0.000 1.160 244 W CA -0.336 57.182 57.345 0.288 0.000 1.218 244 W CB 1.584 31.105 29.460 0.101 0.000 1.205 244 W HN 0.405 nan 8.180 nan 0.000 0.559 245 S N 1.589 117.729 115.700 0.733 0.000 2.500 245 S HA 0.770 5.231 4.470 -0.014 0.000 0.301 245 S C -0.479 174.462 174.600 0.568 0.000 1.092 245 S CA -0.681 57.840 58.200 0.536 0.000 1.030 245 S CB 0.612 64.110 63.200 0.496 0.000 1.031 245 S HN 0.518 nan 8.310 nan 0.000 0.483 246 A N 4.652 127.649 122.820 0.296 0.000 2.331 246 A HA 0.738 5.049 4.320 -0.014 0.000 0.283 246 A C -0.357 177.330 177.584 0.171 0.000 1.142 246 A CA -0.349 51.766 52.037 0.130 0.000 0.812 246 A CB 0.417 19.268 19.000 -0.249 0.000 1.074 246 A HN 0.646 nan 8.150 nan 0.000 0.497 247 K N 0.793 121.308 120.400 0.192 0.000 2.464 247 K HA 0.603 4.914 4.320 -0.014 0.000 0.253 247 K C -0.556 176.125 176.600 0.136 0.000 0.933 247 K CA -0.416 55.967 56.287 0.161 0.000 0.801 247 K CB 2.220 34.827 32.500 0.178 0.000 1.271 247 K HN 0.840 nan 8.250 nan 0.000 0.430 248 A N 3.476 126.361 122.820 0.108 0.000 2.388 248 A HA 0.494 4.806 4.320 -0.014 0.000 0.257 248 A C -2.279 175.365 177.584 0.101 0.000 1.095 248 A CA -1.122 50.975 52.037 0.101 0.000 0.791 248 A CB -0.231 18.817 19.000 0.079 0.000 1.029 248 A HN 0.276 nan 8.150 nan 0.000 0.489 249 P HA 0.126 nan 4.420 nan 0.000 0.276 249 P C -0.255 177.104 177.300 0.098 0.000 1.235 249 P CA -0.344 62.815 63.100 0.098 0.000 0.772 249 P CB 0.524 32.285 31.700 0.102 0.000 0.871 250 N N 2.223 120.975 118.700 0.087 0.000 2.802 250 N HA -0.007 4.724 4.740 -0.014 0.000 0.288 250 N C -0.348 175.220 175.510 0.096 0.000 1.268 250 N CA -0.102 52.998 53.050 0.083 0.000 1.035 250 N CB -0.127 38.402 38.487 0.070 0.000 1.353 250 N HN 0.485 nan 8.380 nan 0.000 0.522 251 D N -1.232 119.242 120.400 0.122 0.000 3.001 251 D HA 0.004 4.636 4.640 -0.014 0.000 0.183 251 D C 0.967 177.404 176.300 0.228 0.000 1.502 251 D CA -0.414 53.677 54.000 0.152 0.000 1.490 251 D CB -0.609 40.270 40.800 0.132 0.000 1.274 251 D HN -0.084 nan 8.370 nan 0.000 0.269 252 F N 1.300 121.283 119.950 0.055 0.000 2.216 252 F HA 0.237 4.755 4.527 -0.014 0.000 0.300 252 F C 0.065 175.901 175.800 0.060 0.000 1.085 252 F CA 0.458 58.490 58.000 0.054 0.000 1.326 252 F CB -0.772 38.251 39.000 0.039 0.000 1.027 252 F HN -0.104 nan 8.300 nan 0.000 0.497 253 N N 2.505 121.294 118.700 0.148 0.000 2.406 253 N HA 0.201 4.932 4.740 -0.014 0.000 0.269 253 N C -0.136 175.410 175.510 0.060 0.000 1.210 253 N CA 0.316 53.395 53.050 0.047 0.000 0.966 253 N CB 0.141 38.666 38.487 0.062 0.000 1.293 253 N HN 0.021 nan 8.380 nan 0.000 0.491 254 L N 0.614 121.857 121.223 0.033 0.000 4.479 254 L HA -0.224 4.108 4.340 -0.014 0.000 0.394 254 L C 1.116 178.076 176.870 0.150 0.000 0.976 254 L CA 0.890 55.782 54.840 0.088 0.000 1.413 254 L CB -1.734 40.386 42.059 0.103 0.000 1.975 254 L HN 0.603 nan 8.230 nan 0.000 0.570 255 K N -0.458 120.021 120.400 0.132 0.000 2.424 255 K HA 0.106 4.417 4.320 -0.014 0.000 0.198 255 K C 0.388 177.029 176.600 0.068 0.000 1.190 255 K CA 0.191 56.619 56.287 0.235 0.000 0.935 255 K CB 0.850 33.587 32.500 0.394 0.000 1.087 255 K HN 0.123 nan 8.250 nan 0.000 0.524 256 D N 0.597 120.730 120.400 -0.444 0.000 2.392 256 D HA 0.162 4.794 4.640 -0.014 0.000 0.228 256 D C 0.194 176.331 176.300 -0.273 0.000 1.074 256 D CA -0.628 53.008 54.000 -0.607 0.000 0.838 256 D CB 0.576 40.685 40.800 -1.152 0.000 1.067 256 D HN 0.056 nan 8.370 nan 0.000 0.511 257 F N 2.548 122.399 119.950 -0.165 0.000 2.463 257 F HA 0.352 4.871 4.527 -0.014 0.000 0.225 257 F C 0.997 176.747 175.800 -0.084 0.000 1.146 257 F CA -0.537 57.405 58.000 -0.097 0.000 0.956 257 F CB -1.102 37.873 39.000 -0.041 0.000 1.076 257 F HN 0.318 nan 8.300 nan 0.000 0.649 258 N N 0.476 119.310 118.700 0.223 0.000 2.726 258 N HA -0.157 4.575 4.740 -0.014 0.000 0.253 258 N C -1.059 174.478 175.510 0.046 0.000 1.059 258 N CA 0.648 53.715 53.050 0.028 0.000 0.701 258 N CB -1.394 37.005 38.487 -0.147 0.000 0.899 258 N HN 0.909 nan 8.380 nan 0.000 0.548 259 V N -2.313 117.662 119.914 0.102 0.000 3.627 259 V HA 0.130 4.242 4.120 -0.014 0.000 0.518 259 V C 1.544 177.662 176.094 0.040 0.000 0.682 259 V CA 1.210 63.547 62.300 0.061 0.000 2.073 259 V CB -1.292 30.551 31.823 0.033 0.000 2.489 259 V HN 1.237 nan 8.190 nan 0.000 0.513 260 G N 1.022 109.842 108.800 0.033 0.000 4.314 260 G HA2 0.741 4.692 3.960 -0.014 0.000 0.131 260 G HA3 0.741 4.692 3.960 -0.014 0.000 0.131 260 G C 0.762 175.672 174.900 0.016 0.000 1.870 260 G CA 1.195 46.303 45.100 0.014 0.000 0.933 260 G HN 3.076 nan 8.290 nan 0.000 0.294 261 G N -1.181 107.638 108.800 0.032 0.000 2.957 261 G HA2 0.336 4.288 3.960 -0.014 0.000 0.636 261 G HA3 0.336 4.288 3.960 -0.014 0.000 0.636 261 G C -0.032 174.894 174.900 0.043 0.000 1.401 261 G CA 0.268 45.394 45.100 0.043 0.000 0.941 261 G HN 1.551 nan 8.290 nan 0.000 0.610 262 Y N 3.454 123.746 120.300 -0.013 0.000 2.114 262 Y HA -0.172 4.370 4.550 -0.014 0.000 0.282 262 Y C 2.521 178.417 175.900 -0.006 0.000 1.165 262 Y CA 2.424 60.516 58.100 -0.014 0.000 1.148 262 Y CB -0.016 38.429 38.460 -0.024 0.000 0.972 262 Y HN 0.506 nan 8.280 nan 0.000 0.504 263 I N 0.557 120.994 120.570 -0.221 0.000 2.127 263 I HA -0.336 3.826 4.170 -0.014 0.000 0.241 263 I C 2.435 178.426 176.117 -0.210 0.000 1.075 263 I CA 2.073 63.232 61.300 -0.235 0.000 1.334 263 I CB -1.411 36.575 38.000 -0.024 0.000 1.040 263 I HN 0.373 nan 8.210 nan 0.000 0.405 264 Q N 0.797 120.525 119.800 -0.119 0.000 2.119 264 Q HA -0.071 4.261 4.340 -0.014 0.000 0.201 264 Q C 2.177 178.116 176.000 -0.102 0.000 0.972 264 Q CA 1.932 57.684 55.803 -0.084 0.000 0.847 264 Q CB -0.231 28.480 28.738 -0.045 0.000 0.903 264 Q HN 0.471 nan 8.270 nan 0.000 0.433 265 A N -0.776 121.966 122.820 -0.129 0.000 1.972 265 A HA -0.107 4.204 4.320 -0.014 0.000 0.219 265 A C 2.127 179.625 177.584 -0.144 0.000 1.169 265 A CA 1.569 53.536 52.037 -0.117 0.000 0.635 265 A CB -0.480 18.458 19.000 -0.103 0.000 0.810 265 A HN 0.278 nan 8.150 nan 0.000 0.446 266 V N -0.146 119.623 119.914 -0.241 0.000 2.535 266 V HA -0.131 3.981 4.120 -0.014 0.000 0.246 266 V C 2.453 178.477 176.094 -0.116 0.000 1.045 266 V CA 1.313 63.490 62.300 -0.204 0.000 1.058 266 V CB -0.583 31.051 31.823 -0.315 0.000 0.689 266 V HN 0.541 nan 8.190 nan 0.000 0.461 267 L N -0.160 121.002 121.223 -0.103 0.000 2.027 267 L HA -0.149 4.183 4.340 -0.014 0.000 0.206 267 L C 2.089 178.938 176.870 -0.034 0.000 1.074 267 L CA 1.448 56.255 54.840 -0.055 0.000 0.745 267 L CB -0.792 41.239 42.059 -0.048 0.000 0.898 267 L HN 0.313 nan 8.230 nan 0.000 0.433 268 D N 0.140 120.517 120.400 -0.038 0.000 2.411 268 D HA -0.139 4.493 4.640 -0.014 0.000 0.226 268 D C 2.081 178.377 176.300 -0.007 0.000 0.988 268 D CA 0.683 54.669 54.000 -0.022 0.000 0.938 268 D CB -0.111 40.671 40.800 -0.030 0.000 0.883 268 D HN 0.278 nan 8.370 nan 0.000 0.525 269 R N 0.065 120.562 120.500 -0.006 0.000 2.153 269 R HA 0.055 4.386 4.340 -0.014 0.000 0.218 269 R C 0.370 176.687 176.300 0.028 0.000 1.072 269 R CA 0.316 56.426 56.100 0.017 0.000 0.990 269 R CB 0.110 30.420 30.300 0.015 0.000 0.889 269 R HN 0.046 nan 8.270 nan 0.000 0.452 270 N N 1.396 120.110 118.700 0.023 0.000 2.663 270 N HA 0.070 4.802 4.740 -0.014 0.000 0.250 270 N C 0.271 175.797 175.510 0.026 0.000 1.129 270 N CA 0.355 53.425 53.050 0.033 0.000 0.995 270 N CB 1.369 39.877 38.487 0.034 0.000 1.324 270 N HN 0.226 nan 8.380 nan 0.000 0.512 271 L N 0.370 121.610 121.223 0.028 0.000 2.683 271 L HA 0.100 4.432 4.340 -0.014 0.000 0.312 271 L C 0.865 177.747 176.870 0.021 0.000 1.110 271 L CA 0.295 55.148 54.840 0.021 0.000 1.560 271 L CB -0.693 41.374 42.059 0.013 0.000 2.641 271 L HN 0.244 nan 8.230 nan 0.000 0.526 272 A N -0.078 122.761 122.820 0.032 0.000 2.095 272 A HA 0.165 4.476 4.320 -0.014 0.000 0.212 272 A C 1.575 179.170 177.584 0.019 0.000 1.162 272 A CA 0.967 53.026 52.037 0.037 0.000 0.753 272 A CB -0.153 18.893 19.000 0.077 0.000 0.840 272 A HN 0.547 nan 8.150 nan 0.000 0.468 273 E N 0.252 120.472 120.200 0.034 0.000 2.481 273 E HA -0.035 4.306 4.350 -0.014 0.000 0.195 273 E C 0.772 177.397 176.600 0.042 0.000 1.047 273 E CA -0.069 56.355 56.400 0.040 0.000 0.867 273 E CB -0.043 29.697 29.700 0.066 0.000 0.858 273 E HN 0.412 nan 8.360 nan 0.000 0.513 274 N N 1.043 119.766 118.700 0.038 0.000 2.396 274 N HA -0.044 4.688 4.740 -0.014 0.000 0.180 274 N C 1.608 177.154 175.510 0.060 0.000 1.028 274 N CA 0.545 53.633 53.050 0.063 0.000 0.893 274 N CB 0.031 38.549 38.487 0.052 0.000 0.967 274 N HN 0.247 nan 8.380 nan 0.000 0.440 275 I N 0.279 120.835 120.570 -0.023 0.000 2.423 275 I HA -0.202 3.960 4.170 -0.014 0.000 0.254 275 I C 0.748 176.875 176.117 0.017 0.000 1.151 275 I CA 1.043 62.304 61.300 -0.066 0.000 1.421 275 I CB -0.175 37.648 38.000 -0.296 0.000 1.079 275 I HN 0.098 nan 8.210 nan 0.000 0.431 276 S N -0.602 115.127 115.700 0.048 0.000 2.581 276 S HA 0.275 4.737 4.470 -0.014 0.000 0.245 276 S C 1.145 175.926 174.600 0.302 0.000 1.115 276 S CA -0.710 57.612 58.200 0.204 0.000 1.093 276 S CB 0.516 63.804 63.200 0.145 0.000 0.853 276 S HN 0.178 nan 8.310 nan 0.000 0.479 277 R N 1.270 121.945 120.500 0.291 0.000 2.062 277 R HA 0.311 4.643 4.340 -0.014 0.000 0.226 277 R C 0.366 176.940 176.300 0.457 0.000 1.125 277 R CA 1.050 57.353 56.100 0.338 0.000 0.966 277 R CB -0.230 30.222 30.300 0.254 0.000 0.861 277 R HN 0.422 nan 8.270 nan 0.000 0.433 278 V N 0.504 120.644 119.914 0.376 0.000 2.888 278 V HA 0.368 4.479 4.120 -0.014 0.000 0.309 278 V C -1.500 174.567 176.094 -0.045 0.000 1.114 278 V CA -1.425 61.018 62.300 0.238 0.000 0.940 278 V CB 1.790 33.688 31.823 0.125 0.000 1.021 278 V HN 0.183 nan 8.190 nan 0.000 0.426 279 L N 6.703 127.650 121.223 -0.459 0.000 2.462 279 L HA 0.407 4.738 4.340 -0.014 0.000 0.272 279 L C -0.865 175.880 176.870 -0.207 0.000 1.166 279 L CA 0.492 54.830 54.840 -0.837 0.000 0.880 279 L CB 0.262 41.875 42.059 -0.743 0.000 1.142 279 L HN 0.679 nan 8.230 nan 0.000 0.473 280 Y N 7.350 127.540 120.300 -0.183 0.000 2.605 280 Y HA 0.171 4.712 4.550 -0.014 0.000 0.336 280 Y C -1.259 174.636 175.900 -0.009 0.000 1.111 280 Y CA -1.479 56.600 58.100 -0.036 0.000 1.422 280 Y CB 0.261 38.733 38.460 0.021 0.000 1.193 280 Y HN 0.585 nan 8.280 nan 0.000 0.526 281 P HA -0.068 nan 4.420 nan 0.000 0.263 281 P C -0.872 176.552 177.300 0.205 0.000 1.386 281 P CA 0.353 63.553 63.100 0.168 0.000 0.797 281 P CB -0.180 31.661 31.700 0.234 0.000 1.381 282 N N 1.573 120.402 118.700 0.215 0.000 2.719 282 N HA 0.085 4.816 4.740 -0.014 0.000 0.243 282 N C -0.603 175.060 175.510 0.255 0.000 1.104 282 N CA -0.335 52.864 53.050 0.247 0.000 0.981 282 N CB -0.101 38.567 38.487 0.303 0.000 1.290 282 N HN -0.038 nan 8.380 nan 0.000 0.513 283 D N 1.701 122.270 120.400 0.281 0.000 2.368 283 D HA -0.049 4.582 4.640 -0.014 0.000 0.268 283 D C 0.144 176.714 176.300 0.450 0.000 1.298 283 D CA 0.182 54.355 54.000 0.288 0.000 0.938 283 D CB 0.059 41.032 40.800 0.289 0.000 1.101 283 D HN 0.307 nan 8.370 nan 0.000 0.509 284 N N 2.267 121.170 118.700 0.338 0.000 1.794 284 N HA -0.139 4.593 4.740 -0.014 0.000 0.324 284 N C -0.377 175.418 175.510 0.475 0.000 1.301 284 N CA 0.981 54.247 53.050 0.360 0.000 0.798 284 N CB -0.073 38.572 38.487 0.264 0.000 1.038 284 N HN 0.444 nan 8.380 nan 0.000 0.506 285 F N 2.743 122.805 119.950 0.186 0.000 2.770 285 F HA 0.486 5.004 4.527 -0.014 0.000 0.313 285 F C -2.009 173.890 175.800 0.165 0.000 1.154 285 F CA -1.276 56.789 58.000 0.109 0.000 0.923 285 F CB 0.896 39.887 39.000 -0.016 0.000 1.301 285 F HN 0.211 nan 8.300 nan 0.000 0.449 286 F N 3.804 123.436 119.950 -0.529 0.000 2.482 286 F HA 0.657 5.175 4.527 -0.014 0.000 0.331 286 F C -1.250 174.295 175.800 -0.425 0.000 1.115 286 F CA -0.277 57.500 58.000 -0.372 0.000 0.955 286 F CB 1.481 40.248 39.000 -0.389 0.000 1.136 286 F HN 0.401 nan 8.300 nan 0.000 0.452 287 E N 3.858 123.688 120.200 -0.616 0.000 2.185 287 E HA 0.257 4.598 4.350 -0.014 0.000 0.261 287 E C 0.067 176.171 176.600 -0.827 0.000 0.879 287 E CA -0.516 55.544 56.400 -0.566 0.000 0.756 287 E CB 1.685 31.394 29.700 0.014 0.000 1.152 287 E HN 0.943 nan 8.360 nan 0.000 0.416 288 G N 4.011 112.213 108.800 -0.996 0.000 3.325 288 G HA2 -0.058 3.893 3.960 -0.014 0.000 0.242 288 G HA3 -0.058 3.893 3.960 -0.014 0.000 0.242 288 G C 0.391 175.285 174.900 -0.009 0.000 1.120 288 G CA 0.007 44.720 45.100 -0.645 0.000 1.778 288 G HN 0.031 nan 8.290 nan 0.000 0.610 289 K N 0.196 120.652 120.400 0.094 0.000 2.118 289 K HA 0.195 4.506 4.320 -0.014 0.000 0.267 289 K C 0.801 177.533 176.600 0.220 0.000 0.991 289 K CA -0.638 55.756 56.287 0.179 0.000 0.916 289 K CB 2.141 34.774 32.500 0.222 0.000 1.041 289 K HN 0.300 nan 8.250 nan 0.000 0.455 290 E N 1.297 121.577 120.200 0.134 0.000 2.106 290 E HA -0.163 4.179 4.350 -0.014 0.000 0.192 290 E C 1.493 178.093 176.600 -0.001 0.000 0.984 290 E CA 0.617 57.036 56.400 0.032 0.000 0.806 290 E CB 0.199 29.916 29.700 0.028 0.000 0.750 290 E HN 0.366 nan 8.360 nan 0.000 0.458 291 L N 1.318 122.587 121.223 0.077 0.000 2.079 291 L HA -0.165 4.167 4.340 -0.014 0.000 0.210 291 L C 2.316 179.215 176.870 0.050 0.000 1.081 291 L CA 1.535 56.435 54.840 0.100 0.000 0.752 291 L CB -0.433 41.784 42.059 0.264 0.000 0.896 291 L HN 0.011 nan 8.230 nan 0.000 0.433 292 R N -0.730 119.730 120.500 -0.068 0.000 2.066 292 R HA -0.090 4.241 4.340 -0.014 0.000 0.232 292 R C 2.183 178.500 176.300 0.028 0.000 1.131 292 R CA 1.471 57.475 56.100 -0.160 0.000 0.955 292 R CB -1.138 29.025 30.300 -0.228 0.000 0.851 292 R HN 0.362 nan 8.270 nan 0.000 0.432 293 L N 1.622 122.784 121.223 -0.101 0.000 2.131 293 L HA -0.123 4.208 4.340 -0.014 0.000 0.210 293 L C 1.954 178.756 176.870 -0.114 0.000 1.092 293 L CA 1.817 56.404 54.840 -0.422 0.000 0.759 293 L CB -0.339 41.124 42.059 -0.993 0.000 0.903 293 L HN 0.044 nan 8.230 nan 0.000 0.435 294 K N -1.166 119.207 120.400 -0.045 0.000 2.057 294 K HA -0.146 4.165 4.320 -0.014 0.000 0.206 294 K C 2.056 178.822 176.600 0.277 0.000 1.050 294 K CA 1.494 57.830 56.287 0.082 0.000 0.935 294 K CB -0.081 32.300 32.500 -0.199 0.000 0.715 294 K HN 0.478 nan 8.250 nan 0.000 0.439 295 Q N 0.448 120.368 119.800 0.201 0.000 2.124 295 Q HA -0.200 4.132 4.340 -0.014 0.000 0.202 295 Q C 1.876 178.064 176.000 0.313 0.000 0.977 295 Q CA 1.416 57.392 55.803 0.289 0.000 0.850 295 Q CB 0.004 28.917 28.738 0.292 0.000 0.901 295 Q HN 0.360 nan 8.270 nan 0.000 0.429 296 E N -0.256 120.081 120.200 0.228 0.000 2.047 296 E HA -0.200 4.142 4.350 -0.014 0.000 0.191 296 E C 1.696 178.388 176.600 0.153 0.000 0.987 296 E CA 0.959 57.473 56.400 0.189 0.000 0.799 296 E CB -0.073 29.721 29.700 0.157 0.000 0.752 296 E HN 0.305 nan 8.360 nan 0.000 0.449 297 Y N 0.105 120.442 120.300 0.061 0.000 2.263 297 Y HA -0.194 4.348 4.550 -0.014 0.000 0.292 297 Y C 1.905 177.820 175.900 0.026 0.000 1.130 297 Y CA 0.963 59.057 58.100 -0.010 0.000 1.179 297 Y CB -0.386 38.070 38.460 -0.007 0.000 0.998 297 Y HN 0.030 nan 8.280 nan 0.000 0.532 298 F N -0.267 119.612 119.950 -0.118 0.000 2.043 298 F HA -0.260 4.258 4.527 -0.014 0.000 0.297 298 F C 2.549 178.148 175.800 -0.336 0.000 1.121 298 F CA 2.122 59.999 58.000 -0.205 0.000 1.199 298 F CB -1.104 37.958 39.000 0.103 0.000 0.968 298 F HN -0.074 nan 8.300 nan 0.000 0.478 299 V N -0.502 119.289 119.914 -0.205 0.000 2.515 299 V HA -0.174 3.938 4.120 -0.014 0.000 0.250 299 V C 2.098 178.006 176.094 -0.311 0.000 1.058 299 V CA 1.783 63.941 62.300 -0.236 0.000 1.064 299 V CB -0.368 31.542 31.823 0.145 0.000 0.675 299 V HN 0.259 nan 8.190 nan 0.000 0.461 300 V N 0.490 120.223 119.914 -0.301 0.000 2.283 300 V HA -0.136 3.975 4.120 -0.014 0.000 0.243 300 V C 2.840 178.653 176.094 -0.469 0.000 1.039 300 V CA 2.116 64.233 62.300 -0.306 0.000 1.016 300 V CB -1.076 30.624 31.823 -0.206 0.000 0.650 300 V HN 0.630 nan 8.190 nan 0.000 0.449 301 A N -0.211 122.163 122.820 -0.743 0.000 1.902 301 A HA -0.095 4.216 4.320 -0.014 0.000 0.217 301 A C 2.382 179.590 177.584 -0.628 0.000 1.181 301 A CA 2.098 53.733 52.037 -0.669 0.000 0.623 301 A CB -0.758 17.698 19.000 -0.907 0.000 0.818 301 A HN 0.564 nan 8.150 nan 0.000 0.443 302 A N -0.965 121.315 122.820 -0.901 0.000 1.855 302 A HA -0.073 4.238 4.320 -0.014 0.000 0.215 302 A C 2.320 179.397 177.584 -0.846 0.000 1.191 302 A CA 2.282 53.621 52.037 -1.162 0.000 0.613 302 A CB -1.364 16.371 19.000 -2.109 0.000 0.829 302 A HN 0.413 nan 8.150 nan 0.000 0.442 303 T N 0.240 114.405 114.554 -0.649 0.000 2.684 303 T HA -0.139 4.202 4.350 -0.014 0.000 0.267 303 T C 1.734 176.168 174.700 -0.444 0.000 1.036 303 T CA 1.670 63.522 62.100 -0.413 0.000 1.148 303 T CB -0.346 68.248 68.868 -0.456 0.000 0.863 303 T HN 0.206 nan 8.240 nan 0.000 0.436 304 L N 0.964 121.964 121.223 -0.372 0.000 2.201 304 L HA -0.035 4.297 4.340 -0.014 0.000 0.212 304 L C 2.629 179.379 176.870 -0.201 0.000 1.105 304 L CA 1.492 56.167 54.840 -0.275 0.000 0.775 304 L CB -0.627 41.308 42.059 -0.207 0.000 0.913 304 L HN 0.302 nan 8.230 nan 0.000 0.440 305 Q N -0.980 118.698 119.800 -0.204 0.000 2.124 305 Q HA -0.223 4.109 4.340 -0.014 0.000 0.202 305 Q C 1.701 177.677 176.000 -0.041 0.000 0.977 305 Q CA 1.488 57.228 55.803 -0.105 0.000 0.850 305 Q CB -0.122 28.545 28.738 -0.118 0.000 0.901 305 Q HN 0.427 nan 8.270 nan 0.000 0.429 306 D N 0.588 120.961 120.400 -0.045 0.000 2.144 306 D HA -0.103 4.529 4.640 -0.014 0.000 0.199 306 D C 1.703 177.943 176.300 -0.100 0.000 0.984 306 D CA 0.804 54.812 54.000 0.013 0.000 0.834 306 D CB -0.045 40.844 40.800 0.148 0.000 0.955 306 D HN 0.176 nan 8.370 nan 0.000 0.465 307 I N 0.595 120.987 120.570 -0.296 0.000 2.142 307 I HA -0.255 3.906 4.170 -0.014 0.000 0.240 307 I C 2.221 178.363 176.117 0.042 0.000 1.078 307 I CA 0.691 61.767 61.300 -0.373 0.000 1.343 307 I CB -0.093 37.570 38.000 -0.562 0.000 1.046 307 I HN 0.040 nan 8.210 nan 0.000 0.405 308 I N 0.326 120.987 120.570 0.153 0.000 2.226 308 I HA -0.281 3.881 4.170 -0.014 0.000 0.245 308 I C 2.658 178.941 176.117 0.277 0.000 1.100 308 I CA 1.392 62.903 61.300 0.351 0.000 1.374 308 I CB -1.255 36.885 38.000 0.233 0.000 1.057 308 I HN 0.349 nan 8.210 nan 0.000 0.413 309 R N 1.461 122.052 120.500 0.152 0.000 2.097 309 R HA -0.239 4.093 4.340 -0.014 0.000 0.236 309 R C 2.483 178.847 176.300 0.106 0.000 1.135 309 R CA 2.146 58.321 56.100 0.125 0.000 0.934 309 R CB -0.309 30.060 30.300 0.116 0.000 0.846 309 R HN 0.142 nan 8.270 nan 0.000 0.431 310 R N -0.718 119.839 120.500 0.096 0.000 2.152 310 R HA -0.140 4.191 4.340 -0.014 0.000 0.232 310 R C 2.044 178.390 176.300 0.078 0.000 1.117 310 R CA 1.499 57.630 56.100 0.052 0.000 0.981 310 R CB -0.337 30.011 30.300 0.080 0.000 0.870 310 R HN 0.313 nan 8.270 nan 0.000 0.451 311 F N 0.932 120.903 119.950 0.035 0.000 2.293 311 F HA -0.007 4.512 4.527 -0.014 0.000 0.297 311 F C 1.495 177.321 175.800 0.043 0.000 1.089 311 F CA 1.135 59.165 58.000 0.051 0.000 1.377 311 F CB 0.160 39.247 39.000 0.145 0.000 1.051 311 F HN -0.161 nan 8.300 nan 0.000 0.511 312 K N 0.430 120.799 120.400 -0.052 0.000 2.148 312 K HA -0.017 4.295 4.320 -0.014 0.000 0.204 312 K C 1.758 178.256 176.600 -0.170 0.000 1.050 312 K CA 0.923 57.111 56.287 -0.166 0.000 0.942 312 K CB -0.495 32.008 32.500 0.006 0.000 0.724 312 K HN 0.259 nan 8.250 nan 0.000 0.446 313 S N 0.882 116.509 115.700 -0.122 0.000 2.074 313 S HA 0.019 4.480 4.470 -0.014 0.000 0.169 313 S C 0.875 175.369 174.600 -0.177 0.000 1.394 313 S CA 0.434 58.556 58.200 -0.131 0.000 1.971 313 S CB -0.176 62.938 63.200 -0.143 0.000 0.449 313 S HN 0.578 nan 8.310 nan 0.000 0.364 314 S N 0.948 116.508 115.700 -0.233 0.000 3.109 314 S HA -0.281 4.181 4.470 -0.014 0.000 0.632 314 S C -0.242 174.250 174.600 -0.180 0.000 2.927 314 S CA 0.689 58.763 58.200 -0.211 0.000 3.233 314 S CB -1.352 61.739 63.200 -0.183 0.000 0.325 314 S HN 0.572 nan 8.310 nan 0.000 1.720 315 K N 0.770 121.025 120.400 -0.241 0.000 3.006 315 K HA 0.452 4.764 4.320 -0.014 0.000 0.265 315 K C -0.457 175.799 176.600 -0.572 0.000 1.279 315 K CA 0.194 56.284 56.287 -0.329 0.000 1.229 315 K CB -0.454 31.834 32.500 -0.353 0.000 1.555 315 K HN 0.448 nan 8.250 nan 0.000 0.300 316 F N -1.803 118.036 119.950 -0.185 0.000 1.781 316 F HA 0.111 4.629 4.527 -0.014 0.000 0.267 316 F C 1.367 177.054 175.800 -0.187 0.000 1.142 316 F CA -0.308 57.561 58.000 -0.218 0.000 1.284 316 F CB -0.129 38.644 39.000 -0.378 0.000 1.728 316 F HN 0.113 nan 8.300 nan 0.000 0.437 317 G N -0.217 108.586 108.800 0.005 0.000 3.008 317 G HA2 0.376 4.327 3.960 -0.014 0.000 0.272 317 G HA3 0.376 4.327 3.960 -0.014 0.000 0.272 317 G C 0.277 175.158 174.900 -0.031 0.000 0.764 317 G CA 1.011 46.092 45.100 -0.031 0.000 2.029 317 G HN 0.544 nan 8.290 nan 0.000 0.587 318 C N 0.387 119.677 119.300 -0.016 0.000 5.250 318 C HA 0.196 4.647 4.460 -0.014 0.000 0.280 318 C C 0.437 175.417 174.990 -0.016 0.000 0.781 318 C CA 0.873 59.876 59.018 -0.025 0.000 2.200 318 C CB -0.545 27.163 27.740 -0.053 0.000 1.744 318 C HN 0.868 nan 8.230 nan 0.000 0.341 319 R N 2.003 122.493 120.500 -0.017 0.000 3.444 319 R HA 0.593 4.925 4.340 -0.014 0.000 0.255 319 R C 0.061 176.385 176.300 0.039 0.000 1.246 319 R CA 0.668 56.764 56.100 -0.008 0.000 0.990 319 R CB -0.890 29.383 30.300 -0.045 0.000 1.503 319 R HN 0.463 nan 8.270 nan 0.000 0.449 320 D N -0.229 120.180 120.400 0.016 0.000 3.420 320 D HA -0.200 4.432 4.640 -0.014 0.000 0.189 320 D C -1.894 174.495 176.300 0.148 0.000 1.430 320 D CA 0.723 54.756 54.000 0.055 0.000 0.920 320 D CB -2.077 38.724 40.800 0.002 0.000 0.575 320 D HN 0.561 nan 8.370 nan 0.000 0.606 321 P HA 0.231 nan 4.420 nan 0.000 0.256 321 P C 1.079 178.419 177.300 0.066 0.000 1.689 321 P CA -0.149 63.017 63.100 0.110 0.000 1.124 321 P CB 0.426 32.189 31.700 0.105 0.000 1.766 322 V N 0.456 120.401 119.914 0.052 0.000 3.043 322 V HA -0.279 3.833 4.120 -0.014 0.000 0.276 322 V C 0.812 176.894 176.094 -0.021 0.000 1.223 322 V CA 1.263 63.576 62.300 0.022 0.000 1.197 322 V CB -1.759 30.076 31.823 0.019 0.000 0.833 322 V HN 0.301 nan 8.190 nan 0.000 0.537 323 R N 0.021 120.490 120.500 -0.051 0.000 2.532 323 R HA 0.509 4.841 4.340 -0.014 0.000 0.272 323 R C 0.517 176.713 176.300 -0.172 0.000 1.032 323 R CA -0.119 55.938 56.100 -0.071 0.000 1.089 323 R CB 0.593 30.867 30.300 -0.042 0.000 1.098 323 R HN 0.271 nan 8.270 nan 0.000 0.526 324 T N 2.256 116.713 114.554 -0.161 0.000 2.825 324 T HA 0.002 4.343 4.350 -0.014 0.000 0.270 324 T C 0.153 174.634 174.700 -0.366 0.000 0.919 324 T CA 0.018 61.936 62.100 -0.304 0.000 1.159 324 T CB -0.442 68.341 68.868 -0.141 0.000 0.889 324 T HN 0.275 nan 8.240 nan 0.000 0.565 325 N N 2.921 121.271 118.700 -0.584 0.000 2.466 325 N HA 0.101 4.833 4.740 -0.014 0.000 0.263 325 N C 0.315 175.626 175.510 -0.331 0.000 1.178 325 N CA -0.160 52.623 53.050 -0.445 0.000 0.983 325 N CB 0.015 38.119 38.487 -0.639 0.000 1.331 325 N HN 0.432 nan 8.380 nan 0.000 0.500 326 F N 0.799 120.782 119.950 0.054 0.000 2.502 326 F HA -0.034 4.485 4.527 -0.014 0.000 0.298 326 F C 1.898 177.721 175.800 0.039 0.000 1.111 326 F CA 0.320 58.356 58.000 0.061 0.000 1.445 326 F CB 0.252 39.200 39.000 -0.086 0.000 1.081 326 F HN 0.344 nan 8.300 nan 0.000 0.558 327 D N 0.244 120.716 120.400 0.120 0.000 2.158 327 D HA -0.187 4.445 4.640 -0.014 0.000 0.197 327 D C 2.121 178.491 176.300 0.116 0.000 0.995 327 D CA 1.496 55.556 54.000 0.099 0.000 0.846 327 D CB -0.291 40.551 40.800 0.071 0.000 0.941 327 D HN 0.264 nan 8.370 nan 0.000 0.456 328 A N -0.528 122.385 122.820 0.155 0.000 2.302 328 A HA 0.044 4.356 4.320 -0.014 0.000 0.219 328 A C 1.563 179.247 177.584 0.166 0.000 1.243 328 A CA -0.278 51.894 52.037 0.225 0.000 0.856 328 A CB -0.687 18.558 19.000 0.409 0.000 0.893 328 A HN 0.117 nan 8.150 nan 0.000 0.491 329 F N 1.639 121.480 119.950 -0.181 0.000 2.113 329 F HA -0.007 4.511 4.527 -0.014 0.000 0.297 329 F C -0.895 174.758 175.800 -0.245 0.000 1.103 329 F CA 1.633 59.296 58.000 -0.561 0.000 1.248 329 F CB -0.674 38.047 39.000 -0.466 0.000 0.999 329 F HN 0.177 nan 8.300 nan 0.000 0.475 330 P HA -0.100 nan 4.420 nan 0.000 0.223 330 P C 0.815 178.069 177.300 -0.077 0.000 1.151 330 P CA 1.564 64.623 63.100 -0.067 0.000 0.787 330 P CB -0.004 31.683 31.700 -0.022 0.000 0.788 331 D N -1.026 119.355 120.400 -0.032 0.000 2.289 331 D HA -0.029 4.603 4.640 -0.014 0.000 0.207 331 D C 1.503 177.801 176.300 -0.004 0.000 0.966 331 D CA 0.978 54.980 54.000 0.003 0.000 0.868 331 D CB 0.111 40.941 40.800 0.050 0.000 0.943 331 D HN 0.138 nan 8.370 nan 0.000 0.514 332 K N -0.368 120.007 120.400 -0.041 0.000 2.354 332 K HA 0.165 4.477 4.320 -0.014 0.000 0.194 332 K C -0.095 176.414 176.600 -0.151 0.000 1.045 332 K CA 0.188 56.463 56.287 -0.019 0.000 1.026 332 K CB 1.394 33.994 32.500 0.168 0.000 0.866 332 K HN -0.146 nan 8.250 nan 0.000 0.530 333 V N 0.707 120.426 119.914 -0.326 0.000 2.588 333 V HA 0.735 4.847 4.120 -0.014 0.000 0.304 333 V C -1.180 174.814 176.094 -0.166 0.000 1.042 333 V CA -1.275 60.831 62.300 -0.324 0.000 0.877 333 V CB 1.711 33.033 31.823 -0.835 0.000 0.996 333 V HN 0.049 nan 8.190 nan 0.000 0.425 334 A N 5.729 128.503 122.820 -0.075 0.000 2.353 334 A HA 0.895 5.207 4.320 -0.014 0.000 0.299 334 A C -0.846 176.741 177.584 0.005 0.000 1.089 334 A CA -0.497 51.518 52.037 -0.038 0.000 0.736 334 A CB 1.159 20.069 19.000 -0.149 0.000 1.195 334 A HN 1.126 nan 8.150 nan 0.000 0.447 335 I N 0.596 121.225 120.570 0.099 0.000 2.433 335 I HA 0.733 4.895 4.170 -0.014 0.000 0.292 335 I C -0.689 175.524 176.117 0.159 0.000 1.001 335 I CA -0.643 60.734 61.300 0.129 0.000 1.119 335 I CB 1.915 39.975 38.000 0.099 0.000 1.289 335 I HN 0.571 nan 8.210 nan 0.000 0.438 336 Q N 6.831 126.733 119.800 0.170 0.000 2.340 336 Q HA 0.500 4.832 4.340 -0.014 0.000 0.259 336 Q C -1.624 174.430 176.000 0.090 0.000 0.964 336 Q CA -0.368 55.594 55.803 0.265 0.000 0.900 336 Q CB 1.461 30.485 28.738 0.477 0.000 1.228 336 Q HN 0.829 nan 8.270 nan 0.000 0.449 337 L N 4.154 125.449 121.223 0.120 0.000 2.283 337 L HA 0.331 4.662 4.340 -0.014 0.000 0.287 337 L C 0.063 176.988 176.870 0.091 0.000 1.073 337 L CA -0.578 54.306 54.840 0.073 0.000 0.822 337 L CB 0.393 42.514 42.059 0.103 0.000 1.186 337 L HN 0.633 nan 8.230 nan 0.000 0.436 338 N N 4.283 122.952 118.700 -0.052 0.000 2.663 338 N HA 0.116 4.847 4.740 -0.014 0.000 0.250 338 N C -0.401 175.151 175.510 0.069 0.000 1.129 338 N CA 0.345 53.410 53.050 0.025 0.000 0.995 338 N CB 0.034 38.371 38.487 -0.252 0.000 1.324 338 N HN 0.582 nan 8.380 nan 0.000 0.512 339 D N -0.480 120.057 120.400 0.227 0.000 5.683 339 D HA -0.201 4.430 4.640 -0.014 0.000 0.307 339 D C 0.328 176.653 176.300 0.042 0.000 2.378 339 D CA 1.277 55.373 54.000 0.160 0.000 1.434 339 D CB -0.625 39.992 40.800 -0.304 0.000 1.073 339 D HN 0.466 nan 8.370 nan 0.000 1.218 340 T N -2.276 112.202 114.554 -0.126 0.000 3.148 340 T HA 0.070 4.412 4.350 -0.014 0.000 0.253 340 T C 1.616 176.272 174.700 -0.074 0.000 1.134 340 T CA 1.584 63.589 62.100 -0.159 0.000 1.051 340 T CB -0.461 68.308 68.868 -0.165 0.000 0.959 340 T HN 0.487 nan 8.240 nan 0.000 0.525 341 H N 2.515 121.641 119.070 0.093 0.000 2.352 341 H HA -0.004 4.544 4.556 -0.014 0.000 0.299 341 H C -0.886 174.499 175.328 0.095 0.000 1.097 341 H CA 1.084 57.202 56.048 0.117 0.000 1.311 341 H CB -0.822 29.006 29.762 0.111 0.000 1.377 341 H HN 0.440 nan 8.280 nan 0.000 0.504 342 P HA 0.053 nan 4.420 nan 0.000 0.263 342 P C 0.893 178.207 177.300 0.022 0.000 1.448 342 P CA 0.331 63.474 63.100 0.070 0.000 0.983 342 P CB 0.514 32.244 31.700 0.050 0.000 1.481 343 S N -0.155 115.542 115.700 -0.005 0.000 2.423 343 S HA -0.195 4.266 4.470 -0.014 0.000 0.238 343 S C 1.678 176.262 174.600 -0.027 0.000 1.028 343 S CA 1.099 59.264 58.200 -0.058 0.000 1.000 343 S CB -1.242 61.903 63.200 -0.093 0.000 0.797 343 S HN 0.039 nan 8.310 nan 0.000 0.487 344 L N 1.610 122.833 121.223 -0.000 0.000 2.456 344 L HA 0.280 4.612 4.340 -0.014 0.000 0.224 344 L C 2.627 179.515 176.870 0.031 0.000 1.148 344 L CA 0.606 55.450 54.840 0.007 0.000 0.825 344 L CB -1.604 40.460 42.059 0.009 0.000 0.937 344 L HN 0.473 nan 8.230 nan 0.000 0.450 345 A N -0.787 122.033 122.820 -0.000 0.000 2.070 345 A HA -0.160 4.152 4.320 -0.014 0.000 0.220 345 A C 2.247 179.823 177.584 -0.013 0.000 1.159 345 A CA 1.437 53.462 52.037 -0.020 0.000 0.656 345 A CB -0.429 18.552 19.000 -0.032 0.000 0.800 345 A HN 0.428 nan 8.150 nan 0.000 0.453 346 I N 0.149 120.717 120.570 -0.003 0.000 2.206 346 I HA -0.078 4.084 4.170 -0.014 0.000 0.239 346 I C -0.301 175.845 176.117 0.047 0.000 1.078 346 I CA 0.948 62.252 61.300 0.007 0.000 1.367 346 I CB -1.061 36.952 38.000 0.021 0.000 1.078 346 I HN 0.196 nan 8.210 nan 0.000 0.413 347 P HA -0.175 nan 4.420 nan 0.000 0.221 347 P C 1.248 178.579 177.300 0.052 0.000 1.150 347 P CA 1.554 64.694 63.100 0.067 0.000 0.800 347 P CB 0.105 31.856 31.700 0.085 0.000 0.787 348 E N 0.466 120.767 120.200 0.168 0.000 2.047 348 E HA -0.147 4.194 4.350 -0.014 0.000 0.191 348 E C 1.967 178.553 176.600 -0.023 0.000 0.987 348 E CA 0.736 57.236 56.400 0.168 0.000 0.799 348 E CB -1.251 28.586 29.700 0.227 0.000 0.752 348 E HN 0.025 nan 8.360 nan 0.000 0.449 349 L N -0.071 121.107 121.223 -0.075 0.000 2.141 349 L HA -0.046 4.286 4.340 -0.014 0.000 0.209 349 L C 1.997 178.728 176.870 -0.231 0.000 1.094 349 L CA 1.456 56.189 54.840 -0.178 0.000 0.763 349 L CB -0.372 41.581 42.059 -0.177 0.000 0.908 349 L HN 0.230 nan 8.230 nan 0.000 0.437 350 M N -1.061 118.434 119.600 -0.175 0.000 2.229 350 M HA -0.177 4.295 4.480 -0.014 0.000 0.264 350 M C 2.379 178.539 176.300 -0.233 0.000 1.063 350 M CA 1.356 56.520 55.300 -0.228 0.000 1.114 350 M CB -1.062 31.431 32.600 -0.178 0.000 1.387 350 M HN 0.302 nan 8.290 nan 0.000 0.420 351 R N -0.196 120.181 120.500 -0.205 0.000 2.061 351 R HA -0.097 4.235 4.340 -0.014 0.000 0.230 351 R C 2.173 178.366 176.300 -0.179 0.000 1.140 351 R CA 1.400 57.374 56.100 -0.210 0.000 0.940 351 R CB -0.221 29.914 30.300 -0.276 0.000 0.839 351 R HN 0.147 nan 8.270 nan 0.000 0.429 352 V N 1.585 121.394 119.914 -0.175 0.000 2.332 352 V HA -0.279 3.832 4.120 -0.014 0.000 0.248 352 V C 2.356 178.272 176.094 -0.297 0.000 1.055 352 V CA 1.727 63.910 62.300 -0.194 0.000 1.038 352 V CB -0.372 31.333 31.823 -0.195 0.000 0.651 352 V HN 0.366 nan 8.190 nan 0.000 0.450 353 L N -0.934 120.056 121.223 -0.389 0.000 2.072 353 L HA -0.098 4.234 4.340 -0.014 0.000 0.205 353 L C 2.366 179.044 176.870 -0.320 0.000 1.079 353 L CA 1.173 55.719 54.840 -0.489 0.000 0.752 353 L CB -0.503 41.232 42.059 -0.539 0.000 0.906 353 L HN 0.220 nan 8.230 nan 0.000 0.436 354 V N -0.784 118.986 119.914 -0.240 0.000 2.500 354 V HA -0.146 3.965 4.120 -0.014 0.000 0.243 354 V C 1.904 177.943 176.094 -0.092 0.000 1.039 354 V CA 1.435 63.650 62.300 -0.141 0.000 1.053 354 V CB -0.224 31.529 31.823 -0.117 0.000 0.695 354 V HN 0.326 nan 8.190 nan 0.000 0.463 355 D N -0.065 120.272 120.400 -0.104 0.000 2.162 355 D HA 0.041 4.673 4.640 -0.014 0.000 0.205 355 D C 2.043 178.301 176.300 -0.070 0.000 0.964 355 D CA 1.148 55.104 54.000 -0.073 0.000 0.847 355 D CB 0.151 40.905 40.800 -0.076 0.000 0.988 355 D HN 0.308 nan 8.370 nan 0.000 0.480 356 L N 0.277 121.444 121.223 -0.093 0.000 2.269 356 L HA 0.116 4.447 4.340 -0.014 0.000 0.200 356 L C 1.795 178.615 176.870 -0.084 0.000 1.069 356 L CA 0.463 55.259 54.840 -0.074 0.000 0.804 356 L CB -0.048 41.970 42.059 -0.069 0.000 0.987 356 L HN -0.207 nan 8.230 nan 0.000 0.468 357 E N 0.619 120.731 120.200 -0.147 0.000 2.481 357 E HA -0.051 4.290 4.350 -0.014 0.000 0.195 357 E C 0.215 176.769 176.600 -0.077 0.000 1.047 357 E CA 0.022 56.349 56.400 -0.123 0.000 0.867 357 E CB 0.115 29.643 29.700 -0.287 0.000 0.858 357 E HN 0.111 nan 8.360 nan 0.000 0.513 358 R N -0.616 119.836 120.500 -0.080 0.000 3.770 358 R HA -0.169 4.163 4.340 -0.014 0.000 0.305 358 R C -0.540 175.742 176.300 -0.030 0.000 1.184 358 R CA 0.145 56.221 56.100 -0.039 0.000 0.823 358 R CB -2.437 27.857 30.300 -0.011 0.000 1.285 358 R HN 0.052 nan 8.270 nan 0.000 0.499 359 L N 0.345 121.527 121.223 -0.068 0.000 2.464 359 L HA 0.170 4.501 4.340 -0.014 0.000 0.264 359 L C 1.110 177.975 176.870 -0.009 0.000 1.199 359 L CA 0.371 55.185 54.840 -0.042 0.000 0.818 359 L CB 0.327 42.328 42.059 -0.097 0.000 1.102 359 L HN 0.199 nan 8.230 nan 0.000 0.473 360 D N 0.059 120.478 120.400 0.032 0.000 2.419 360 D HA -0.167 4.464 4.640 -0.014 0.000 0.236 360 D C 0.770 177.144 176.300 0.124 0.000 1.165 360 D CA 0.246 54.299 54.000 0.089 0.000 0.882 360 D CB 0.456 41.311 40.800 0.092 0.000 1.201 360 D HN 0.423 nan 8.370 nan 0.000 0.443 361 W N 1.782 123.085 121.300 0.005 0.000 2.332 361 W HA -0.155 4.496 4.660 -0.014 0.000 0.321 361 W C 1.808 178.365 176.519 0.063 0.000 1.219 361 W CA 1.696 59.048 57.345 0.011 0.000 1.277 361 W CB -0.183 29.267 29.460 -0.017 0.000 1.161 361 W HN 0.494 nan 8.180 nan 0.000 0.476 362 D N -0.279 120.379 120.400 0.430 0.000 2.228 362 D HA -0.204 4.428 4.640 -0.014 0.000 0.203 362 D C 1.940 178.351 176.300 0.185 0.000 0.988 362 D CA 1.319 55.517 54.000 0.330 0.000 0.864 362 D CB -0.358 40.603 40.800 0.269 0.000 0.928 362 D HN 0.187 nan 8.370 nan 0.000 0.469 363 K N 0.178 120.639 120.400 0.102 0.000 2.186 363 K HA 0.105 4.416 4.320 -0.014 0.000 0.202 363 K C 1.895 178.485 176.600 -0.018 0.000 1.052 363 K CA 0.547 56.865 56.287 0.051 0.000 0.965 363 K CB 0.223 32.749 32.500 0.043 0.000 0.746 363 K HN 0.008 nan 8.250 nan 0.000 0.457 364 A N 0.980 123.744 122.820 -0.092 0.000 1.898 364 A HA -0.175 4.137 4.320 -0.014 0.000 0.216 364 A C 1.945 179.424 177.584 -0.175 0.000 1.181 364 A CA 0.862 52.776 52.037 -0.205 0.000 0.620 364 A CB -0.933 17.874 19.000 -0.321 0.000 0.819 364 A HN 0.603 nan 8.150 nan 0.000 0.442 365 W N 0.745 121.804 121.300 -0.403 0.000 2.363 365 W HA -0.177 4.475 4.660 -0.014 0.000 0.296 365 W C 1.964 178.407 176.519 -0.128 0.000 1.212 365 W CA 1.804 58.954 57.345 -0.325 0.000 1.260 365 W CB -0.028 29.245 29.460 -0.310 0.000 1.131 365 W HN 0.619 nan 8.180 nan 0.000 0.530 366 E N 0.008 120.196 120.200 -0.020 0.000 2.077 366 E HA -0.218 4.124 4.350 -0.014 0.000 0.193 366 E C 2.066 178.583 176.600 -0.139 0.000 0.989 366 E CA 1.720 58.074 56.400 -0.077 0.000 0.800 366 E CB -0.335 29.377 29.700 0.020 0.000 0.746 366 E HN 0.026 nan 8.360 nan 0.000 0.452 367 V N 0.613 120.460 119.914 -0.113 0.000 2.307 367 V HA -0.247 3.865 4.120 -0.014 0.000 0.245 367 V C 2.343 178.357 176.094 -0.134 0.000 1.045 367 V CA 2.183 64.433 62.300 -0.084 0.000 1.024 367 V CB -0.619 31.159 31.823 -0.075 0.000 0.651 367 V HN 0.416 nan 8.190 nan 0.000 0.449 368 T N 0.732 115.137 114.554 -0.248 0.000 2.652 368 T HA -0.205 4.137 4.350 -0.014 0.000 0.267 368 T C 1.918 176.414 174.700 -0.342 0.000 1.039 368 T CA 2.117 64.042 62.100 -0.291 0.000 1.153 368 T CB -0.437 68.212 68.868 -0.365 0.000 0.863 368 T HN 0.513 nan 8.240 nan 0.000 0.428 369 V N 0.169 119.755 119.914 -0.548 0.000 2.427 369 V HA -0.006 4.106 4.120 -0.014 0.000 0.248 369 V C 2.115 178.139 176.094 -0.117 0.000 1.051 369 V CA 1.422 63.487 62.300 -0.393 0.000 1.048 369 V CB -0.758 30.753 31.823 -0.520 0.000 0.666 369 V HN 0.316 nan 8.190 nan 0.000 0.456 370 K N 0.312 120.618 120.400 -0.156 0.000 2.360 370 K HA -0.065 4.247 4.320 -0.014 0.000 0.201 370 K C 2.089 178.592 176.600 -0.161 0.000 1.046 370 K CA 1.756 57.927 56.287 -0.193 0.000 0.945 370 K CB -0.240 32.177 32.500 -0.139 0.000 0.750 370 K HN 0.634 nan 8.250 nan 0.000 0.464 371 T N -0.169 114.375 114.554 -0.016 0.000 2.983 371 T HA 0.035 4.376 4.350 -0.014 0.000 0.250 371 T C 0.842 175.643 174.700 0.168 0.000 1.037 371 T CA 0.314 62.454 62.100 0.067 0.000 1.142 371 T CB 0.169 69.120 68.868 0.138 0.000 0.876 371 T HN 0.147 nan 8.240 nan 0.000 0.455 372 C N 2.433 121.827 119.300 0.158 0.000 2.401 372 C HA 0.866 5.317 4.460 -0.014 0.000 0.365 372 C C 0.601 175.715 174.990 0.207 0.000 1.250 372 C CA -1.044 58.060 59.018 0.145 0.000 2.131 372 C CB 0.008 27.759 27.740 0.019 0.000 2.445 372 C HN 0.615 nan 8.230 nan 0.000 0.550 373 A N 2.172 125.091 122.820 0.165 0.000 2.515 373 A HA 0.753 5.064 4.320 -0.014 0.000 0.298 373 A C -1.673 176.008 177.584 0.162 0.000 1.059 373 A CA -0.360 51.721 52.037 0.074 0.000 0.698 373 A CB 1.164 20.247 19.000 0.139 0.000 1.289 373 A HN 0.869 nan 8.150 nan 0.000 0.404 374 Y N 0.999 121.269 120.300 -0.051 0.000 2.350 374 Y HA 0.672 5.214 4.550 -0.014 0.000 0.338 374 Y C -0.587 175.308 175.900 -0.008 0.000 0.961 374 Y CA -0.820 57.253 58.100 -0.046 0.000 1.100 374 Y CB 1.906 40.281 38.460 -0.142 0.000 1.179 374 Y HN 0.559 nan 8.280 nan 0.000 0.454 375 T N 6.928 121.423 114.554 -0.098 0.000 2.758 375 T HA 0.230 4.572 4.350 -0.014 0.000 0.285 375 T C -0.545 173.834 174.700 -0.535 0.000 0.981 375 T CA -0.775 61.157 62.100 -0.279 0.000 0.965 375 T CB 0.334 69.233 68.868 0.051 0.000 0.927 375 T HN 0.653 nan 8.240 nan 0.000 0.448 376 N N 1.789 120.097 118.700 -0.653 0.000 2.455 376 N HA 0.107 4.838 4.740 -0.014 0.000 0.280 376 N C 0.168 175.646 175.510 -0.052 0.000 1.055 376 N CA -0.235 52.643 53.050 -0.285 0.000 0.961 376 N CB 0.696 39.111 38.487 -0.120 0.000 1.121 376 N HN 0.668 nan 8.380 nan 0.000 0.476 377 H N 1.144 120.256 119.070 0.069 0.000 2.827 377 H HA 0.152 4.700 4.556 -0.014 0.000 0.269 377 H C -0.162 175.084 175.328 -0.137 0.000 1.031 377 H CA 0.116 56.160 56.048 -0.007 0.000 1.202 377 H CB 1.256 31.031 29.762 0.022 0.000 1.511 377 H HN 0.504 nan 8.280 nan 0.000 0.517 378 T N 0.007 114.571 114.554 0.017 0.000 2.830 378 T HA 0.234 4.576 4.350 -0.014 0.000 0.322 378 T C 0.500 175.228 174.700 0.046 0.000 1.501 378 T CA -0.389 61.661 62.100 -0.083 0.000 1.036 378 T CB 1.304 70.152 68.868 -0.034 0.000 1.379 378 T HN -0.060 nan 8.240 nan 0.000 0.493 379 V N 1.365 121.285 119.914 0.011 0.000 3.605 379 V HA 0.485 4.596 4.120 -0.014 0.000 0.284 379 V C 0.967 177.052 176.094 -0.015 0.000 1.386 379 V CA -0.219 62.093 62.300 0.020 0.000 1.053 379 V CB -0.319 31.514 31.823 0.017 0.000 0.857 379 V HN 0.770 nan 8.190 nan 0.000 0.436 380 I N 1.254 121.801 120.570 -0.038 0.000 2.471 380 I HA 0.290 4.451 4.170 -0.014 0.000 0.286 380 I C -1.004 175.126 176.117 0.021 0.000 1.079 380 I CA -1.671 59.624 61.300 -0.008 0.000 1.398 380 I CB 0.581 38.561 38.000 -0.033 0.000 1.403 380 I HN 0.061 nan 8.210 nan 0.000 0.530 381 P HA -0.136 nan 4.420 nan 0.000 0.222 381 P C 1.035 178.327 177.300 -0.014 0.000 1.153 381 P CA 1.065 64.167 63.100 0.005 0.000 0.798 381 P CB 0.126 31.830 31.700 0.006 0.000 0.796 382 E N 0.757 120.963 120.200 0.009 0.000 2.472 382 E HA -0.084 4.258 4.350 -0.014 0.000 0.200 382 E C 1.425 177.977 176.600 -0.080 0.000 1.046 382 E CA 0.999 57.362 56.400 -0.061 0.000 0.871 382 E CB -0.653 29.081 29.700 0.057 0.000 0.806 382 E HN 0.194 nan 8.360 nan 0.000 0.533 383 A N 0.858 123.686 122.820 0.014 0.000 2.308 383 A HA 0.259 4.571 4.320 -0.014 0.000 0.217 383 A C 0.938 178.510 177.584 -0.021 0.000 1.216 383 A CA -0.405 51.667 52.037 0.060 0.000 0.864 383 A CB -0.072 18.997 19.000 0.114 0.000 0.902 383 A HN 0.244 nan 8.150 nan 0.000 0.499 384 L N 0.775 121.929 121.223 -0.115 0.000 2.326 384 L HA 0.259 4.591 4.340 -0.014 0.000 0.278 384 L C -0.075 176.395 176.870 -0.667 0.000 1.092 384 L CA -0.109 54.591 54.840 -0.232 0.000 0.810 384 L CB 0.985 42.956 42.059 -0.147 0.000 1.153 384 L HN 0.247 nan 8.230 nan 0.000 0.439 385 E N 5.362 125.080 120.200 -0.802 0.000 2.152 385 E HA 0.249 4.591 4.350 -0.014 0.000 0.285 385 E C -0.805 175.138 176.600 -1.095 0.000 1.043 385 E CA -0.190 55.293 56.400 -1.528 0.000 0.839 385 E CB 0.651 29.859 29.700 -0.821 0.000 1.069 385 E HN 0.416 nan 8.360 nan 0.000 0.399 386 R N 3.934 123.640 120.500 -1.324 0.000 2.407 386 R HA 0.175 4.507 4.340 -0.014 0.000 0.298 386 R C -1.170 174.999 176.300 -0.218 0.000 1.166 386 R CA -0.608 55.196 56.100 -0.493 0.000 1.006 386 R CB 0.822 30.979 30.300 -0.238 0.000 1.145 386 R HN 0.449 nan 8.270 nan 0.000 0.538 387 W N 4.568 125.870 121.300 0.004 0.000 2.368 387 W HA 0.183 4.834 4.660 -0.014 0.000 0.316 387 W C -1.790 174.754 176.519 0.043 0.000 1.375 387 W CA -1.944 55.453 57.345 0.087 0.000 1.261 387 W CB 0.349 29.815 29.460 0.009 0.000 1.298 387 W HN 0.228 nan 8.180 nan 0.000 0.539 388 P HA -0.162 nan 4.420 nan 0.000 0.259 388 P C 0.825 178.210 177.300 0.141 0.000 1.163 388 P CA 0.488 63.706 63.100 0.197 0.000 0.760 388 P CB 0.552 32.282 31.700 0.050 0.000 0.762 389 V N 3.668 123.687 119.914 0.175 0.000 2.427 389 V HA -0.263 3.849 4.120 -0.014 0.000 0.248 389 V C 2.067 178.237 176.094 0.127 0.000 1.051 389 V CA 2.367 64.742 62.300 0.125 0.000 1.048 389 V CB -1.687 30.242 31.823 0.176 0.000 0.666 389 V HN 0.764 nan 8.190 nan 0.000 0.456 390 H N -1.267 117.854 119.070 0.084 0.000 2.489 390 H HA -0.142 4.406 4.556 -0.014 0.000 0.295 390 H C 1.971 177.336 175.328 0.062 0.000 1.082 390 H CA 1.434 57.525 56.048 0.073 0.000 1.295 390 H CB -0.220 29.587 29.762 0.075 0.000 1.380 390 H HN 0.377 nan 8.280 nan 0.000 0.548 391 L N 0.729 121.790 121.223 -0.271 0.000 2.068 391 L HA 0.043 4.375 4.340 -0.014 0.000 0.204 391 L C 2.084 178.860 176.870 -0.156 0.000 1.076 391 L CA 1.246 55.947 54.840 -0.231 0.000 0.753 391 L CB -0.502 41.425 42.059 -0.221 0.000 0.910 391 L HN 0.412 nan 8.230 nan 0.000 0.439 392 L N -0.736 120.396 121.223 -0.151 0.000 2.217 392 L HA -0.125 4.206 4.340 -0.014 0.000 0.211 392 L C 2.456 179.237 176.870 -0.148 0.000 1.107 392 L CA 0.999 55.717 54.840 -0.204 0.000 0.783 392 L CB -0.472 41.457 42.059 -0.217 0.000 0.919 392 L HN 0.429 nan 8.230 nan 0.000 0.442 393 E N 0.100 120.260 120.200 -0.066 0.000 2.047 393 E HA -0.187 4.155 4.350 -0.014 0.000 0.191 393 E C 1.928 178.542 176.600 0.024 0.000 0.987 393 E CA 1.836 58.230 56.400 -0.010 0.000 0.799 393 E CB 0.132 29.869 29.700 0.060 0.000 0.752 393 E HN 0.367 nan 8.360 nan 0.000 0.449 394 T N 1.563 116.148 114.554 0.051 0.000 2.701 394 T HA -0.151 4.191 4.350 -0.014 0.000 0.263 394 T C 1.770 176.539 174.700 0.114 0.000 1.040 394 T CA 1.253 63.426 62.100 0.123 0.000 1.147 394 T CB -0.237 68.723 68.868 0.154 0.000 0.865 394 T HN 0.113 nan 8.240 nan 0.000 0.426 395 L N -0.296 120.896 121.223 -0.051 0.000 2.270 395 L HA 0.376 4.707 4.340 -0.014 0.000 0.210 395 L C 0.683 177.453 176.870 -0.166 0.000 1.104 395 L CA 1.490 56.175 54.840 -0.257 0.000 0.804 395 L CB 0.002 41.849 42.059 -0.353 0.000 0.937 395 L HN 0.204 nan 8.230 nan 0.000 0.450 396 L N 0.812 121.925 121.223 -0.184 0.000 2.745 396 L HA 0.255 4.587 4.340 -0.014 0.000 0.296 396 L C -1.694 174.960 176.870 -0.360 0.000 1.362 396 L CA -0.510 54.132 54.840 -0.330 0.000 0.724 396 L CB 0.881 42.613 42.059 -0.544 0.000 1.069 396 L HN -0.026 nan 8.230 nan 0.000 0.535 397 P HA -0.162 nan 4.420 nan 0.000 0.222 397 P C 1.320 178.406 177.300 -0.358 0.000 1.147 397 P CA 0.908 63.867 63.100 -0.236 0.000 0.790 397 P CB 0.357 32.018 31.700 -0.065 0.000 0.780 398 R N -0.099 119.995 120.500 -0.678 0.000 2.119 398 R HA -0.082 4.249 4.340 -0.014 0.000 0.222 398 R C 2.171 178.164 176.300 -0.512 0.000 1.088 398 R CA 1.428 57.161 56.100 -0.611 0.000 0.984 398 R CB -1.269 28.516 30.300 -0.858 0.000 0.884 398 R HN 0.220 nan 8.270 nan 0.000 0.447 399 H N -0.617 118.137 119.070 -0.527 0.000 2.428 399 H HA 0.019 4.567 4.556 -0.014 0.000 0.296 399 H C 1.514 176.651 175.328 -0.318 0.000 1.062 399 H CA 1.320 57.137 56.048 -0.385 0.000 1.350 399 H CB 0.115 29.616 29.762 -0.434 0.000 1.403 399 H HN 0.059 nan 8.280 nan 0.000 0.533 400 L N 0.750 121.834 121.223 -0.232 0.000 2.313 400 L HA -0.089 4.243 4.340 -0.014 0.000 0.214 400 L C 1.901 178.531 176.870 -0.401 0.000 1.119 400 L CA 1.338 55.962 54.840 -0.359 0.000 0.809 400 L CB -0.329 41.531 42.059 -0.331 0.000 0.933 400 L HN 0.392 nan 8.230 nan 0.000 0.449 401 Q N -0.172 119.514 119.800 -0.190 0.000 2.137 401 Q HA -0.139 4.193 4.340 -0.014 0.000 0.198 401 Q C 2.229 178.235 176.000 0.010 0.000 0.960 401 Q CA 1.158 56.949 55.803 -0.021 0.000 0.847 401 Q CB 0.168 28.897 28.738 -0.015 0.000 0.915 401 Q HN 0.538 nan 8.270 nan 0.000 0.448 402 I N 0.429 120.970 120.570 -0.049 0.000 2.233 402 I HA -0.254 3.907 4.170 -0.014 0.000 0.243 402 I C 2.150 178.298 176.117 0.051 0.000 1.093 402 I CA 0.829 62.151 61.300 0.037 0.000 1.380 402 I CB -0.095 37.883 38.000 -0.037 0.000 1.067 402 I HN 0.276 nan 8.210 nan 0.000 0.413 403 I N -0.190 120.355 120.570 -0.042 0.000 2.264 403 I HA -0.341 3.820 4.170 -0.014 0.000 0.248 403 I C 2.431 178.564 176.117 0.028 0.000 1.111 403 I CA 1.553 62.826 61.300 -0.045 0.000 1.382 403 I CB -0.377 37.532 38.000 -0.151 0.000 1.060 403 I HN 0.201 nan 8.210 nan 0.000 0.418 404 Y N 0.756 121.055 120.300 -0.002 0.000 2.200 404 Y HA -0.246 4.295 4.550 -0.014 0.000 0.290 404 Y C 2.584 178.455 175.900 -0.047 0.000 1.137 404 Y CA 1.293 59.384 58.100 -0.016 0.000 1.163 404 Y CB -0.753 37.692 38.460 -0.026 0.000 0.988 404 Y HN 0.145 nan 8.280 nan 0.000 0.518 405 E N 0.471 120.739 120.200 0.114 0.000 2.077 405 E HA -0.161 4.180 4.350 -0.014 0.000 0.193 405 E C 2.101 178.644 176.600 -0.095 0.000 0.989 405 E CA 1.318 57.672 56.400 -0.077 0.000 0.800 405 E CB -0.555 29.074 29.700 -0.118 0.000 0.746 405 E HN 0.485 nan 8.360 nan 0.000 0.452 406 I N 0.514 121.109 120.570 0.041 0.000 2.179 406 I HA -0.289 3.872 4.170 -0.014 0.000 0.242 406 I C 2.265 178.379 176.117 -0.004 0.000 1.088 406 I CA 1.412 62.682 61.300 -0.050 0.000 1.357 406 I CB -0.410 37.532 38.000 -0.098 0.000 1.051 406 I HN 0.173 nan 8.210 nan 0.000 0.409 407 N N 0.666 119.412 118.700 0.075 0.000 2.104 407 N HA -0.274 4.457 4.740 -0.014 0.000 0.190 407 N C 1.864 177.458 175.510 0.139 0.000 1.024 407 N CA 1.560 54.705 53.050 0.157 0.000 0.853 407 N CB -0.132 38.472 38.487 0.195 0.000 1.008 407 N HN 0.341 nan 8.380 nan 0.000 0.424 408 Q N -0.063 119.765 119.800 0.046 0.000 2.046 408 Q HA -0.067 4.264 4.340 -0.014 0.000 0.200 408 Q C 1.790 177.774 176.000 -0.028 0.000 0.975 408 Q CA 1.217 57.011 55.803 -0.016 0.000 0.836 408 Q CB 0.025 28.709 28.738 -0.091 0.000 0.896 408 Q HN 0.396 nan 8.270 nan 0.000 0.428 409 R N -0.773 119.681 120.500 -0.078 0.000 2.235 409 R HA -0.070 4.262 4.340 -0.014 0.000 0.213 409 R C 1.977 178.324 176.300 0.078 0.000 1.059 409 R CA 0.649 56.707 56.100 -0.070 0.000 0.997 409 R CB -0.125 30.056 30.300 -0.197 0.000 0.884 409 R HN 0.256 nan 8.270 nan 0.000 0.462 410 F N 1.512 121.447 119.950 -0.025 0.000 2.074 410 F HA -0.043 4.476 4.527 -0.014 0.000 0.293 410 F C 1.865 177.696 175.800 0.053 0.000 1.116 410 F CA 1.186 59.218 58.000 0.055 0.000 1.212 410 F CB -0.335 38.729 39.000 0.105 0.000 0.998 410 F HN -0.171 nan 8.300 nan 0.000 0.471 411 L N 0.300 121.576 121.223 0.088 0.000 2.129 411 L HA -0.295 4.037 4.340 -0.014 0.000 0.212 411 L C 1.982 178.809 176.870 -0.072 0.000 1.087 411 L CA 1.794 56.608 54.840 -0.042 0.000 0.757 411 L CB -1.049 41.037 42.059 0.046 0.000 0.896 411 L HN 0.315 nan 8.230 nan 0.000 0.434 412 N N 0.143 118.817 118.700 -0.043 0.000 2.309 412 N HA -0.191 4.541 4.740 -0.014 0.000 0.182 412 N C 1.909 177.379 175.510 -0.066 0.000 1.018 412 N CA 0.963 53.983 53.050 -0.050 0.000 0.876 412 N CB -0.009 38.451 38.487 -0.044 0.000 0.972 412 N HN 0.486 nan 8.380 nan 0.000 0.434 413 R N 0.563 121.010 120.500 -0.089 0.000 2.140 413 R HA 0.094 4.426 4.340 -0.014 0.000 0.213 413 R C 1.795 178.005 176.300 -0.149 0.000 1.059 413 R CA 0.386 56.429 56.100 -0.094 0.000 1.000 413 R CB -0.495 29.782 30.300 -0.039 0.000 0.910 413 R HN -0.083 nan 8.270 nan 0.000 0.455 414 V N 2.301 122.071 119.914 -0.240 0.000 2.223 414 V HA -0.249 3.863 4.120 -0.014 0.000 0.244 414 V C 2.725 178.803 176.094 -0.026 0.000 1.045 414 V CA 2.265 64.474 62.300 -0.151 0.000 1.000 414 V CB -0.880 30.768 31.823 -0.290 0.000 0.635 414 V HN 0.570 nan 8.190 nan 0.000 0.445 415 A N -0.196 122.596 122.820 -0.048 0.000 1.997 415 A HA -0.214 4.098 4.320 -0.014 0.000 0.221 415 A C 2.288 179.841 177.584 -0.052 0.000 1.172 415 A CA 2.365 54.387 52.037 -0.025 0.000 0.645 415 A CB -0.741 18.239 19.000 -0.033 0.000 0.813 415 A HN 0.666 nan 8.150 nan 0.000 0.454 416 A N -1.105 121.665 122.820 -0.082 0.000 2.067 416 A HA 0.383 4.694 4.320 -0.014 0.000 0.217 416 A C 2.246 179.729 177.584 -0.168 0.000 1.156 416 A CA 1.565 53.543 52.037 -0.099 0.000 0.683 416 A CB -0.486 18.464 19.000 -0.083 0.000 0.808 416 A HN 0.974 nan 8.150 nan 0.000 0.455 417 A N -1.607 121.057 122.820 -0.261 0.000 2.014 417 A HA 0.467 4.779 4.320 -0.014 0.000 0.210 417 A C 0.352 177.415 177.584 -0.868 0.000 1.188 417 A CA 0.341 52.038 52.037 -0.567 0.000 0.731 417 A CB 0.028 18.588 19.000 -0.732 0.000 0.858 417 A HN 0.369 nan 8.150 nan 0.000 0.464 418 F N 1.380 121.280 119.950 -0.084 0.000 2.523 418 F HA 0.313 4.831 4.527 -0.014 0.000 0.322 418 F C -2.496 173.265 175.800 -0.065 0.000 1.361 418 F CA -3.119 54.836 58.000 -0.075 0.000 1.151 418 F CB 0.778 39.723 39.000 -0.093 0.000 1.391 418 F HN -0.001 nan 8.300 nan 0.000 0.566 419 P HA 0.100 nan 4.420 nan 0.000 0.265 419 P C 1.011 178.323 177.300 0.020 0.000 1.193 419 P CA 1.136 64.236 63.100 -0.001 0.000 0.765 419 P CB 1.179 32.861 31.700 -0.030 0.000 0.823 420 G N 2.532 111.339 108.800 0.012 0.000 2.284 420 G HA2 -0.256 3.696 3.960 -0.014 0.000 0.261 420 G HA3 -0.256 3.696 3.960 -0.014 0.000 0.261 420 G C 0.350 175.261 174.900 0.019 0.000 0.997 420 G CA 0.251 45.358 45.100 0.012 0.000 0.621 420 G HN 0.604 nan 8.290 nan 0.000 0.534 421 D N 1.256 121.679 120.400 0.037 0.000 2.498 421 D HA 0.429 5.060 4.640 -0.014 0.000 0.229 421 D C 1.804 178.105 176.300 0.001 0.000 1.188 421 D CA 0.194 54.207 54.000 0.021 0.000 1.028 421 D CB 0.483 41.303 40.800 0.033 0.000 1.087 421 D HN 0.113 nan 8.370 nan 0.000 0.510 422 V N 2.318 122.231 119.914 -0.001 0.000 2.490 422 V HA -0.181 3.931 4.120 -0.014 0.000 0.250 422 V C 2.090 178.180 176.094 -0.007 0.000 1.061 422 V CA 1.387 63.685 62.300 -0.003 0.000 1.064 422 V CB -0.180 31.642 31.823 -0.001 0.000 0.670 422 V HN 0.521 nan 8.190 nan 0.000 0.461 423 D N -0.471 119.921 120.400 -0.014 0.000 2.234 423 D HA -0.133 4.498 4.640 -0.014 0.000 0.205 423 D C 2.308 178.590 176.300 -0.031 0.000 0.962 423 D CA 0.667 54.658 54.000 -0.015 0.000 0.855 423 D CB 0.310 41.100 40.800 -0.017 0.000 0.951 423 D HN 0.303 nan 8.370 nan 0.000 0.500 424 R N 0.065 120.526 120.500 -0.063 0.000 2.062 424 R HA -0.117 4.214 4.340 -0.014 0.000 0.231 424 R C 2.367 178.614 176.300 -0.090 0.000 1.136 424 R CA 0.879 56.903 56.100 -0.125 0.000 0.948 424 R CB -0.541 29.649 30.300 -0.184 0.000 0.845 424 R HN 0.041 nan 8.270 nan 0.000 0.430 425 L N 1.270 122.463 121.223 -0.051 0.000 1.990 425 L HA -0.221 4.111 4.340 -0.014 0.000 0.213 425 L C 2.613 179.501 176.870 0.031 0.000 1.072 425 L CA 2.128 56.959 54.840 -0.014 0.000 0.755 425 L CB -0.964 41.093 42.059 -0.004 0.000 0.889 425 L HN 0.274 nan 8.230 nan 0.000 0.432 426 R N -0.209 120.310 120.500 0.032 0.000 2.083 426 R HA -0.171 4.160 4.340 -0.014 0.000 0.237 426 R C 2.393 178.751 176.300 0.097 0.000 1.137 426 R CA 1.635 57.771 56.100 0.060 0.000 0.951 426 R CB -0.219 30.107 30.300 0.044 0.000 0.851 426 R HN 0.325 nan 8.270 nan 0.000 0.434 427 R N 0.272 120.817 120.500 0.073 0.000 2.081 427 R HA -0.095 4.237 4.340 -0.014 0.000 0.235 427 R C 2.150 178.583 176.300 0.222 0.000 1.131 427 R CA 1.996 58.167 56.100 0.119 0.000 0.960 427 R CB -0.173 30.152 30.300 0.043 0.000 0.856 427 R HN 0.443 nan 8.270 nan 0.000 0.436 428 M N -1.155 118.504 119.600 0.099 0.000 2.356 428 M HA 0.243 4.714 4.480 -0.014 0.000 0.262 428 M C 0.404 176.928 176.300 0.372 0.000 1.097 428 M CA -0.096 55.239 55.300 0.059 0.000 0.991 428 M CB 0.865 33.146 32.600 -0.532 0.000 1.450 428 M HN -0.220 nan 8.290 nan 0.000 0.495 429 S N 1.601 117.515 115.700 0.357 0.000 2.558 429 S HA 0.149 4.611 4.470 -0.014 0.000 0.287 429 S C 1.075 175.967 174.600 0.488 0.000 1.321 429 S CA -0.282 58.139 58.200 0.368 0.000 1.048 429 S CB 0.506 63.848 63.200 0.237 0.000 0.844 429 S HN 0.595 nan 8.310 nan 0.000 0.512 430 L N 3.743 125.183 121.223 0.361 0.000 2.341 430 L HA 0.156 4.487 4.340 -0.014 0.000 0.214 430 L C 0.170 177.153 176.870 0.188 0.000 1.115 430 L CA 0.210 55.211 54.840 0.268 0.000 0.820 430 L CB -0.326 41.831 42.059 0.164 0.000 0.944 430 L HN 0.374 nan 8.230 nan 0.000 0.452 431 V N 1.163 121.201 119.914 0.206 0.000 2.333 431 V HA 0.165 4.277 4.120 -0.014 0.000 0.274 431 V C 0.140 176.320 176.094 0.143 0.000 1.028 431 V CA -0.627 61.784 62.300 0.184 0.000 0.851 431 V CB 1.181 33.142 31.823 0.232 0.000 1.000 431 V HN 0.178 nan 8.190 nan 0.000 0.456 432 E N 3.470 123.735 120.200 0.108 0.000 2.194 432 E HA 0.330 4.672 4.350 -0.014 0.000 0.284 432 E C -0.497 176.155 176.600 0.086 0.000 1.035 432 E CA -0.427 56.025 56.400 0.086 0.000 0.836 432 E CB 1.721 31.452 29.700 0.051 0.000 1.070 432 E HN 0.598 nan 8.360 nan 0.000 0.401 433 E N 0.925 121.171 120.200 0.076 0.000 2.322 433 E HA 0.610 4.952 4.350 -0.014 0.000 0.257 433 E C 0.199 176.833 176.600 0.057 0.000 1.155 433 E CA 0.270 56.709 56.400 0.066 0.000 0.936 433 E CB 1.340 31.071 29.700 0.052 0.000 1.130 433 E HN 0.642 nan 8.360 nan 0.000 0.465 434 G N -0.788 108.043 108.800 0.051 0.000 2.339 434 G HA2 0.259 4.210 3.960 -0.014 0.000 0.275 434 G HA3 0.259 4.210 3.960 -0.014 0.000 0.275 434 G C 0.299 175.226 174.900 0.044 0.000 1.323 434 G CA 0.150 45.277 45.100 0.044 0.000 0.927 434 G HN 0.572 nan 8.290 nan 0.000 0.486 435 A N -1.121 121.723 122.820 0.040 0.000 1.892 435 A HA 0.335 4.646 4.320 -0.014 0.000 0.218 435 A C 1.233 178.843 177.584 0.044 0.000 1.188 435 A CA 2.584 54.642 52.037 0.035 0.000 0.631 435 A CB -0.499 18.520 19.000 0.032 0.000 0.822 435 A HN 1.585 nan 8.150 nan 0.000 0.447 436 V N 0.451 120.404 119.914 0.064 0.000 2.444 436 V HA 0.258 4.369 4.120 -0.014 0.000 0.294 436 V C 0.035 176.194 176.094 0.108 0.000 1.022 436 V CA -0.837 61.522 62.300 0.098 0.000 0.850 436 V CB 1.510 33.411 31.823 0.130 0.000 0.992 436 V HN 0.496 nan 8.190 nan 0.000 0.426 437 K N 5.113 125.585 120.400 0.120 0.000 2.382 437 K HA 0.496 4.808 4.320 -0.014 0.000 0.275 437 K C -0.193 176.497 176.600 0.150 0.000 1.009 437 K CA -0.050 56.313 56.287 0.126 0.000 0.970 437 K CB 0.589 33.170 32.500 0.134 0.000 0.934 437 K HN 0.659 nan 8.250 nan 0.000 0.479 438 R N 2.629 123.208 120.500 0.132 0.000 2.781 438 R HA 0.472 4.804 4.340 -0.014 0.000 0.269 438 R C -1.096 175.268 176.300 0.106 0.000 1.025 438 R CA -1.025 55.150 56.100 0.125 0.000 0.914 438 R CB 1.111 31.466 30.300 0.092 0.000 1.236 438 R HN 0.406 nan 8.270 nan 0.000 0.465 439 I N 1.542 122.170 120.570 0.096 0.000 2.406 439 I HA 0.219 4.381 4.170 -0.014 0.000 0.290 439 I C -0.427 175.690 176.117 0.001 0.000 0.999 439 I CA -0.733 60.604 61.300 0.062 0.000 1.124 439 I CB 1.501 39.534 38.000 0.055 0.000 1.289 439 I HN 0.524 nan 8.210 nan 0.000 0.441 440 N N 6.720 125.384 118.700 -0.060 0.000 2.469 440 N HA 0.109 4.841 4.740 -0.014 0.000 0.239 440 N C 0.794 176.212 175.510 -0.154 0.000 1.053 440 N CA -0.393 52.540 53.050 -0.195 0.000 0.937 440 N CB 0.992 39.214 38.487 -0.443 0.000 1.163 440 N HN 0.392 nan 8.380 nan 0.000 0.509 441 M N 2.428 121.937 119.600 -0.152 0.000 2.213 441 M HA -0.073 4.398 4.480 -0.014 0.000 0.263 441 M C 2.051 178.201 176.300 -0.250 0.000 1.062 441 M CA 0.799 56.019 55.300 -0.134 0.000 1.105 441 M CB -1.599 30.960 32.600 -0.068 0.000 1.385 441 M HN 0.616 nan 8.290 nan 0.000 0.417 442 A N -0.449 122.218 122.820 -0.254 0.000 1.908 442 A HA -0.205 4.106 4.320 -0.014 0.000 0.218 442 A C 2.041 179.380 177.584 -0.408 0.000 1.181 442 A CA 1.747 53.584 52.037 -0.332 0.000 0.627 442 A CB -1.215 17.778 19.000 -0.013 0.000 0.818 442 A HN 0.617 nan 8.150 nan 0.000 0.445 443 H N -1.213 117.614 119.070 -0.405 0.000 2.387 443 H HA -0.029 4.519 4.556 -0.014 0.000 0.299 443 H C 2.119 177.219 175.328 -0.380 0.000 1.090 443 H CA 0.983 56.757 56.048 -0.457 0.000 1.332 443 H CB -0.065 29.629 29.762 -0.112 0.000 1.386 443 H HN 0.369 nan 8.280 nan 0.000 0.516 444 L N 0.450 121.589 121.223 -0.140 0.000 2.093 444 L HA -0.194 4.138 4.340 -0.014 0.000 0.208 444 L C 2.151 178.890 176.870 -0.217 0.000 1.085 444 L CA 1.169 55.928 54.840 -0.136 0.000 0.755 444 L CB -0.363 41.644 42.059 -0.086 0.000 0.904 444 L HN 0.437 nan 8.230 nan 0.000 0.435 445 C N -0.111 118.954 119.300 -0.392 0.000 2.440 445 C HA -0.115 4.336 4.460 -0.014 0.000 0.278 445 C C 2.642 177.392 174.990 -0.399 0.000 1.295 445 C CA 0.348 59.062 59.018 -0.507 0.000 1.738 445 C CB -0.688 26.376 27.740 -1.126 0.000 1.987 445 C HN 0.500 nan 8.230 nan 0.000 0.492 446 I N 1.443 121.739 120.570 -0.456 0.000 2.353 446 I HA -0.117 4.044 4.170 -0.014 0.000 0.248 446 I C 2.725 178.722 176.117 -0.201 0.000 1.119 446 I CA 1.393 62.482 61.300 -0.352 0.000 1.417 446 I CB -0.481 37.167 38.000 -0.587 0.000 1.078 446 I HN 0.225 nan 8.210 nan 0.000 0.421 447 A N 0.563 123.222 122.820 -0.269 0.000 1.933 447 A HA -0.100 4.212 4.320 -0.014 0.000 0.218 447 A C 2.229 179.881 177.584 0.112 0.000 1.175 447 A CA 1.937 53.836 52.037 -0.231 0.000 0.628 447 A CB -1.119 17.576 19.000 -0.508 0.000 0.814 447 A HN 0.466 nan 8.150 nan 0.000 0.444 448 G N -1.425 107.385 108.800 0.017 0.000 3.233 448 G HA2 0.415 4.366 3.960 -0.014 0.000 0.234 448 G HA3 0.415 4.366 3.960 -0.014 0.000 0.234 448 G C 0.201 174.964 174.900 -0.228 0.000 1.137 448 G CA 0.476 45.490 45.100 -0.143 0.000 0.763 448 G HN 0.350 nan 8.290 nan 0.000 0.549 449 S N -0.093 115.533 115.700 -0.123 0.000 2.621 449 S HA 0.350 4.812 4.470 -0.014 0.000 0.302 449 S C 0.773 175.361 174.600 -0.020 0.000 1.093 449 S CA -0.680 57.481 58.200 -0.066 0.000 1.017 449 S CB 1.147 64.314 63.200 -0.054 0.000 1.077 449 S HN 0.508 nan 8.310 nan 0.000 0.517 450 H N -0.428 118.631 119.070 -0.019 0.000 2.539 450 H HA 0.555 5.103 4.556 -0.014 0.000 0.269 450 H C 0.015 175.372 175.328 0.049 0.000 0.980 450 H CA 0.088 56.158 56.048 0.035 0.000 1.152 450 H CB 0.016 29.805 29.762 0.045 0.000 1.407 450 H HN 0.483 nan 8.280 nan 0.000 0.564 451 A N 0.901 123.437 122.820 -0.475 0.000 2.520 451 A HA 0.586 4.898 4.320 -0.014 0.000 0.298 451 A C -1.359 176.045 177.584 -0.300 0.000 1.051 451 A CA -0.558 51.254 52.037 -0.376 0.000 0.690 451 A CB 2.175 20.899 19.000 -0.459 0.000 1.281 451 A HN 0.088 nan 8.150 nan 0.000 0.402 452 V N 3.279 122.972 119.914 -0.368 0.000 2.735 452 V HA 0.718 4.830 4.120 -0.014 0.000 0.310 452 V C -0.584 175.275 176.094 -0.393 0.000 1.061 452 V CA -0.639 61.393 62.300 -0.446 0.000 0.913 452 V CB 2.062 33.415 31.823 -0.783 0.000 1.005 452 V HN 1.104 nan 8.190 nan 0.000 0.428 453 N N 1.888 120.366 118.700 -0.369 0.000 2.598 453 N HA 0.526 5.258 4.740 -0.014 0.000 0.263 453 N C -0.705 174.676 175.510 -0.215 0.000 1.254 453 N CA -0.311 52.589 53.050 -0.251 0.000 0.863 453 N CB 2.538 40.880 38.487 -0.242 0.000 1.586 453 N HN 0.759 nan 8.380 nan 0.000 0.491 454 G N -0.761 107.957 108.800 -0.137 0.000 2.552 454 G HA2 0.491 4.442 3.960 -0.014 0.000 0.324 454 G HA3 0.491 4.442 3.960 -0.014 0.000 0.324 454 G C 0.632 175.575 174.900 0.071 0.000 1.217 454 G CA -0.541 44.558 45.100 -0.001 0.000 0.989 454 G HN 0.665 nan 8.290 nan 0.000 0.490 455 V N -3.213 116.844 119.914 0.239 0.000 3.214 455 V HA 0.692 4.803 4.120 -0.014 0.000 0.330 455 V C 0.532 176.694 176.094 0.115 0.000 1.403 455 V CA 0.189 62.557 62.300 0.114 0.000 1.143 455 V CB -1.022 30.822 31.823 0.034 0.000 1.098 455 V HN 1.486 nan 8.190 nan 0.000 0.463 456 A N -0.307 122.584 122.820 0.118 0.000 2.569 456 A HA 0.603 4.914 4.320 -0.014 0.000 0.292 456 A C 0.481 178.104 177.584 0.065 0.000 1.032 456 A CA -0.271 51.821 52.037 0.092 0.000 0.669 456 A CB 0.834 19.886 19.000 0.087 0.000 1.290 456 A HN -0.043 nan 8.150 nan 0.000 0.422 457 R N 0.469 120.989 120.500 0.034 0.000 2.090 457 R HA -0.039 4.293 4.340 -0.014 0.000 0.228 457 R C 1.864 178.158 176.300 -0.010 0.000 1.110 457 R CA 1.708 57.807 56.100 -0.002 0.000 0.973 457 R CB -0.135 30.161 30.300 -0.006 0.000 0.869 457 R HN 0.816 nan 8.270 nan 0.000 0.440 458 I N 0.273 120.847 120.570 0.007 0.000 2.179 458 I HA -0.339 3.823 4.170 -0.014 0.000 0.242 458 I C 2.356 178.481 176.117 0.014 0.000 1.088 458 I CA 1.914 63.215 61.300 0.001 0.000 1.357 458 I CB -0.242 37.761 38.000 0.004 0.000 1.051 458 I HN 0.269 nan 8.210 nan 0.000 0.409 459 H N 0.627 119.673 119.070 -0.041 0.000 2.293 459 H HA -0.154 4.393 4.556 -0.014 0.000 0.300 459 H C 2.331 177.630 175.328 -0.050 0.000 1.082 459 H CA 2.290 58.310 56.048 -0.046 0.000 1.308 459 H CB -0.467 29.273 29.762 -0.037 0.000 1.375 459 H HN 0.290 nan 8.280 nan 0.000 0.495 460 S N 0.402 115.955 115.700 -0.244 0.000 2.374 460 S HA -0.179 4.283 4.470 -0.014 0.000 0.227 460 S C 1.972 176.448 174.600 -0.207 0.000 1.037 460 S CA 1.466 59.515 58.200 -0.251 0.000 1.024 460 S CB -0.148 62.978 63.200 -0.124 0.000 0.861 460 S HN 0.489 nan 8.310 nan 0.000 0.456 461 E N 1.119 121.225 120.200 -0.157 0.000 2.028 461 E HA -0.033 4.309 4.350 -0.014 0.000 0.191 461 E C 2.087 178.583 176.600 -0.173 0.000 0.988 461 E CA 0.746 57.050 56.400 -0.161 0.000 0.799 461 E CB -0.534 29.101 29.700 -0.108 0.000 0.755 461 E HN 0.509 nan 8.360 nan 0.000 0.447 462 I N 1.117 121.601 120.570 -0.143 0.000 2.248 462 I HA -0.311 3.851 4.170 -0.014 0.000 0.248 462 I C 2.404 178.407 176.117 -0.190 0.000 1.107 462 I CA 0.946 62.167 61.300 -0.132 0.000 1.373 462 I CB -0.321 37.635 38.000 -0.074 0.000 1.055 462 I HN 0.071 nan 8.210 nan 0.000 0.418 463 L N 0.285 121.354 121.223 -0.255 0.000 2.056 463 L HA -0.205 4.126 4.340 -0.014 0.000 0.207 463 L C 2.507 179.288 176.870 -0.149 0.000 1.078 463 L CA 1.490 56.187 54.840 -0.237 0.000 0.749 463 L CB -0.586 41.408 42.059 -0.107 0.000 0.901 463 L HN 0.200 nan 8.230 nan 0.000 0.433 464 K N 0.174 120.424 120.400 -0.250 0.000 2.217 464 K HA -0.114 4.197 4.320 -0.014 0.000 0.202 464 K C 1.906 178.319 176.600 -0.311 0.000 1.051 464 K CA 0.964 56.946 56.287 -0.510 0.000 0.952 464 K CB 0.050 31.988 32.500 -0.937 0.000 0.736 464 K HN 0.293 nan 8.250 nan 0.000 0.453 465 K N -0.347 119.930 120.400 -0.203 0.000 2.352 465 K HA 0.055 4.367 4.320 -0.014 0.000 0.194 465 K C 1.111 177.665 176.600 -0.078 0.000 1.038 465 K CA 0.733 56.949 56.287 -0.117 0.000 1.023 465 K CB 0.726 33.165 32.500 -0.100 0.000 0.840 465 K HN 0.046 nan 8.250 nan 0.000 0.519 466 T N 0.080 114.579 114.554 -0.092 0.000 3.426 466 T HA 0.069 4.411 4.350 -0.014 0.000 0.195 466 T C 1.405 176.065 174.700 -0.067 0.000 0.963 466 T CA -0.366 61.693 62.100 -0.069 0.000 1.154 466 T CB -0.399 68.422 68.868 -0.077 0.000 1.377 466 T HN -0.112 nan 8.240 nan 0.000 0.342 467 I N 1.002 121.468 120.570 -0.173 0.000 2.179 467 I HA 0.008 4.169 4.170 -0.014 0.000 0.242 467 I C 0.390 176.456 176.117 -0.084 0.000 1.088 467 I CA 1.537 62.681 61.300 -0.261 0.000 1.357 467 I CB -0.156 37.491 38.000 -0.588 0.000 1.051 467 I HN 0.225 nan 8.210 nan 0.000 0.409 468 F N 1.394 121.466 119.950 0.204 0.000 2.923 468 F HA 0.242 4.760 4.527 -0.014 0.000 0.314 468 F C 1.702 177.640 175.800 0.229 0.000 1.196 468 F CA -0.685 57.536 58.000 0.369 0.000 1.320 468 F CB -1.005 38.304 39.000 0.515 0.000 0.953 468 F HN 0.088 nan 8.300 nan 0.000 0.505 469 K N -0.328 120.210 120.400 0.230 0.000 2.026 469 K HA -0.144 4.168 4.320 -0.014 0.000 0.208 469 K C 0.918 177.554 176.600 0.061 0.000 1.048 469 K CA 1.965 58.310 56.287 0.097 0.000 0.929 469 K CB -0.316 32.202 32.500 0.031 0.000 0.713 469 K HN 0.162 nan 8.250 nan 0.000 0.439 470 D N 0.358 120.760 120.400 0.003 0.000 2.144 470 D HA -0.108 4.524 4.640 -0.014 0.000 0.200 470 D C 1.926 178.083 176.300 -0.237 0.000 0.978 470 D CA 1.130 54.989 54.000 -0.235 0.000 0.833 470 D CB -0.176 40.387 40.800 -0.394 0.000 0.961 470 D HN 0.212 nan 8.370 nan 0.000 0.470 471 F N 0.404 120.412 119.950 0.095 0.000 2.146 471 F HA -0.153 4.366 4.527 -0.014 0.000 0.298 471 F C 2.385 178.256 175.800 0.117 0.000 1.096 471 F CA 0.544 58.675 58.000 0.219 0.000 1.275 471 F CB -0.725 38.513 39.000 0.397 0.000 1.008 471 F HN -0.064 nan 8.300 nan 0.000 0.480 472 Y N 1.459 121.634 120.300 -0.209 0.000 2.165 472 Y HA -0.249 4.292 4.550 -0.014 0.000 0.286 472 Y C 2.181 177.968 175.900 -0.189 0.000 1.155 472 Y CA 1.780 59.527 58.100 -0.588 0.000 1.164 472 Y CB -0.720 37.268 38.460 -0.786 0.000 0.978 472 Y HN 0.167 nan 8.280 nan 0.000 0.513 473 E N -0.145 119.889 120.200 -0.277 0.000 2.110 473 E HA -0.220 4.121 4.350 -0.014 0.000 0.193 473 E C 2.345 178.945 176.600 -0.001 0.000 0.988 473 E CA 1.241 57.520 56.400 -0.202 0.000 0.804 473 E CB -0.321 29.273 29.700 -0.176 0.000 0.745 473 E HN 0.472 nan 8.360 nan 0.000 0.458 474 L N 0.561 121.827 121.223 0.073 0.000 2.027 474 L HA -0.112 4.219 4.340 -0.014 0.000 0.206 474 L C 0.365 177.283 176.870 0.079 0.000 1.074 474 L CA 1.383 56.332 54.840 0.182 0.000 0.745 474 L CB 0.209 42.368 42.059 0.166 0.000 0.898 474 L HN 0.060 nan 8.230 nan 0.000 0.433 475 E N -0.551 119.669 120.200 0.032 0.000 3.386 475 E HA 0.135 4.477 4.350 -0.014 0.000 0.236 475 E C -1.932 174.579 176.600 -0.148 0.000 1.227 475 E CA -1.183 55.136 56.400 -0.135 0.000 0.970 475 E CB 0.980 30.605 29.700 -0.124 0.000 1.343 475 E HN 0.235 nan 8.360 nan 0.000 0.397 476 P HA -0.216 nan 4.420 nan 0.000 0.221 476 P C 1.181 178.603 177.300 0.202 0.000 1.150 476 P CA 1.172 64.150 63.100 -0.203 0.000 0.800 476 P CB -0.042 31.324 31.700 -0.557 0.000 0.787 477 H N 0.339 119.523 119.070 0.189 0.000 2.518 477 H HA 0.049 4.596 4.556 -0.014 0.000 0.289 477 H C 1.307 176.766 175.328 0.218 0.000 1.051 477 H CA 0.690 56.847 56.048 0.182 0.000 1.280 477 H CB -0.378 29.459 29.762 0.126 0.000 1.380 477 H HN 0.168 nan 8.280 nan 0.000 0.566 478 K N 0.173 120.685 120.400 0.187 0.000 2.186 478 K HA 0.073 4.385 4.320 -0.014 0.000 0.202 478 K C -0.124 176.503 176.600 0.044 0.000 1.052 478 K CA 0.038 56.390 56.287 0.109 0.000 0.965 478 K CB 0.218 32.677 32.500 -0.068 0.000 0.746 478 K HN 0.046 nan 8.250 nan 0.000 0.457 479 F N 2.086 122.090 119.950 0.090 0.000 2.443 479 F HA 0.149 4.667 4.527 -0.014 0.000 0.353 479 F C 0.693 176.494 175.800 0.002 0.000 1.101 479 F CA 0.096 58.128 58.000 0.053 0.000 1.226 479 F CB 0.708 39.780 39.000 0.120 0.000 1.140 479 F HN -0.046 nan 8.300 nan 0.000 0.557 480 Q N 1.425 121.242 119.800 0.028 0.000 2.831 480 Q HA 0.383 4.715 4.340 -0.014 0.000 0.322 480 Q C -1.385 174.559 176.000 -0.093 0.000 0.923 480 Q CA -1.274 54.503 55.803 -0.043 0.000 0.767 480 Q CB 3.091 31.755 28.738 -0.124 0.000 1.469 480 Q HN 0.649 nan 8.270 nan 0.000 0.496 481 N N 0.358 118.980 118.700 -0.131 0.000 2.287 481 N HA 0.265 4.997 4.740 -0.014 0.000 0.289 481 N C -1.693 173.697 175.510 -0.200 0.000 1.066 481 N CA -0.400 52.570 53.050 -0.132 0.000 0.841 481 N CB 1.576 40.013 38.487 -0.083 0.000 1.599 481 N HN 0.291 nan 8.380 nan 0.000 0.476 482 K N 2.510 122.785 120.400 -0.207 0.000 2.640 482 K HA 0.233 4.545 4.320 -0.014 0.000 0.245 482 K C -1.015 175.556 176.600 -0.048 0.000 0.962 482 K CA -0.497 55.630 56.287 -0.267 0.000 0.896 482 K CB 1.528 33.614 32.500 -0.690 0.000 1.147 482 K HN 0.541 nan 8.250 nan 0.000 0.445 483 T N 2.295 116.851 114.554 0.003 0.000 2.834 483 T HA 0.133 4.475 4.350 -0.014 0.000 0.298 483 T C 0.719 175.530 174.700 0.186 0.000 0.966 483 T CA -0.030 62.130 62.100 0.100 0.000 1.141 483 T CB 0.295 69.227 68.868 0.107 0.000 0.905 483 T HN 0.364 nan 8.240 nan 0.000 0.535 484 N N 0.880 119.717 118.700 0.228 0.000 2.273 484 N HA 0.340 5.072 4.740 -0.014 0.000 0.227 484 N C 0.462 176.154 175.510 0.303 0.000 1.292 484 N CA -0.081 53.141 53.050 0.288 0.000 0.875 484 N CB 0.372 38.976 38.487 0.194 0.000 1.105 484 N HN 0.761 nan 8.380 nan 0.000 0.434 485 G N -0.232 108.757 108.800 0.314 0.000 2.682 485 G HA2 0.649 4.601 3.960 -0.014 0.000 0.290 485 G HA3 0.649 4.601 3.960 -0.014 0.000 0.290 485 G C -1.700 173.331 174.900 0.218 0.000 1.425 485 G CA -0.364 44.906 45.100 0.284 0.000 0.807 485 G HN 0.387 nan 8.290 nan 0.000 0.482 486 I N -0.436 120.250 120.570 0.193 0.000 2.730 486 I HA 0.601 4.762 4.170 -0.014 0.000 0.298 486 I C 0.213 176.473 176.117 0.237 0.000 1.089 486 I CA -0.510 60.888 61.300 0.164 0.000 1.041 486 I CB 2.656 40.673 38.000 0.028 0.000 1.235 486 I HN 0.487 nan 8.210 nan 0.000 0.423 487 T N 6.427 121.170 114.554 0.315 0.000 2.806 487 T HA 0.400 4.742 4.350 -0.014 0.000 0.290 487 T C -2.000 172.796 174.700 0.160 0.000 0.966 487 T CA -1.691 60.520 62.100 0.185 0.000 1.060 487 T CB 1.315 70.250 68.868 0.111 0.000 0.927 487 T HN 0.344 nan 8.240 nan 0.000 0.485 488 P HA 0.034 nan 4.420 nan 0.000 0.221 488 P C 1.330 178.592 177.300 -0.063 0.000 1.150 488 P CA 0.533 63.646 63.100 0.022 0.000 0.800 488 P CB 0.262 31.939 31.700 -0.037 0.000 0.787 489 R N -0.239 120.175 120.500 -0.144 0.000 2.096 489 R HA -0.099 4.233 4.340 -0.014 0.000 0.229 489 R C 2.534 178.720 176.300 -0.190 0.000 1.134 489 R CA 1.785 57.765 56.100 -0.200 0.000 0.917 489 R CB -1.045 29.139 30.300 -0.193 0.000 0.832 489 R HN 0.081 nan 8.270 nan 0.000 0.430 490 R N -0.837 119.499 120.500 -0.274 0.000 2.073 490 R HA -0.095 4.236 4.340 -0.014 0.000 0.229 490 R C 1.330 177.350 176.300 -0.468 0.000 1.120 490 R CA 1.478 57.289 56.100 -0.482 0.000 0.967 490 R CB -0.223 29.609 30.300 -0.780 0.000 0.862 490 R HN 0.314 nan 8.270 nan 0.000 0.436 491 W N 0.039 121.285 121.300 -0.091 0.000 3.292 491 W HA 0.123 4.774 4.660 -0.015 0.000 0.263 491 W C 1.048 177.527 176.519 -0.066 0.000 1.318 491 W CA -0.644 56.648 57.345 -0.090 0.000 1.663 491 W CB 0.439 29.854 29.460 -0.076 0.000 1.114 491 W HN 0.255 nan 8.180 nan 0.000 0.706 492 L N -2.234 119.039 121.223 0.083 0.000 2.681 492 L HA 0.151 4.483 4.340 -0.014 0.000 0.163 492 L C 1.809 178.686 176.870 0.013 0.000 1.188 492 L CA 0.737 55.620 54.840 0.071 0.000 0.944 492 L CB -0.821 41.303 42.059 0.108 0.000 1.835 492 L HN -0.257 nan 8.230 nan 0.000 0.510 493 V N 1.137 121.030 119.914 -0.035 0.000 2.469 493 V HA -0.244 3.867 4.120 -0.014 0.000 0.251 493 V C 2.358 178.416 176.094 -0.060 0.000 1.064 493 V CA 2.405 64.674 62.300 -0.052 0.000 1.066 493 V CB -0.735 31.020 31.823 -0.113 0.000 0.667 493 V HN 0.501 nan 8.190 nan 0.000 0.461 494 L N 0.308 121.469 121.223 -0.103 0.000 2.121 494 L HA -0.089 4.243 4.340 -0.014 0.000 0.200 494 L C 2.560 179.358 176.870 -0.119 0.000 1.077 494 L CA 1.817 56.579 54.840 -0.130 0.000 0.766 494 L CB -0.194 41.740 42.059 -0.208 0.000 0.931 494 L HN 0.571 nan 8.230 nan 0.000 0.452 495 C N -1.315 117.905 119.300 -0.132 0.000 2.468 495 C HA 0.122 4.573 4.460 -0.014 0.000 0.277 495 C C 1.238 176.198 174.990 -0.049 0.000 1.400 495 C CA -0.169 58.788 59.018 -0.101 0.000 1.770 495 C CB -1.148 26.536 27.740 -0.093 0.000 1.905 495 C HN 0.566 nan 8.230 nan 0.000 0.519 496 N N 1.097 119.782 118.700 -0.024 0.000 2.703 496 N HA 0.259 4.991 4.740 -0.014 0.000 0.283 496 N C -1.622 173.893 175.510 0.010 0.000 1.851 496 N CA -1.501 51.548 53.050 -0.002 0.000 0.826 496 N CB 0.724 39.220 38.487 0.015 0.000 1.239 496 N HN 0.292 nan 8.380 nan 0.000 0.495 497 P HA -0.120 nan 4.420 nan 0.000 0.216 497 P C 1.377 178.691 177.300 0.023 0.000 1.150 497 P CA 1.104 64.210 63.100 0.010 0.000 0.843 497 P CB 0.317 32.015 31.700 -0.003 0.000 0.787 498 G N 0.733 109.542 108.800 0.015 0.000 2.480 498 G HA2 -0.260 3.692 3.960 -0.014 0.000 0.216 498 G HA3 -0.260 3.692 3.960 -0.014 0.000 0.216 498 G C 1.580 176.492 174.900 0.021 0.000 1.200 498 G CA 0.886 45.994 45.100 0.014 0.000 0.782 498 G HN 0.250 nan 8.290 nan 0.000 0.554 499 L N 1.480 122.714 121.223 0.018 0.000 2.017 499 L HA 0.120 4.451 4.340 -0.014 0.000 0.208 499 L C 3.095 180.003 176.870 0.062 0.000 1.073 499 L CA 2.316 57.167 54.840 0.018 0.000 0.745 499 L CB -0.848 41.220 42.059 0.014 0.000 0.894 499 L HN 0.254 nan 8.230 nan 0.000 0.432 500 A N -1.241 121.637 122.820 0.097 0.000 2.024 500 A HA -0.258 4.054 4.320 -0.014 0.000 0.220 500 A C 2.314 180.007 177.584 0.181 0.000 1.164 500 A CA 1.872 54.026 52.037 0.196 0.000 0.643 500 A CB -0.649 18.448 19.000 0.162 0.000 0.806 500 A HN 0.659 nan 8.150 nan 0.000 0.451 501 E N 0.100 120.361 120.200 0.101 0.000 2.051 501 E HA -0.120 4.221 4.350 -0.014 0.000 0.189 501 E C 2.036 178.675 176.600 0.066 0.000 0.979 501 E CA 1.220 57.666 56.400 0.077 0.000 0.803 501 E CB -0.219 29.509 29.700 0.046 0.000 0.761 501 E HN 0.788 nan 8.360 nan 0.000 0.451 502 I N -1.229 119.383 120.570 0.070 0.000 2.439 502 I HA -0.158 4.003 4.170 -0.014 0.000 0.251 502 I C 2.207 178.401 176.117 0.128 0.000 1.139 502 I CA 0.893 62.261 61.300 0.112 0.000 1.438 502 I CB -0.436 37.653 38.000 0.149 0.000 1.085 502 I HN 0.042 nan 8.210 nan 0.000 0.427 503 I N 2.345 122.964 120.570 0.082 0.000 2.179 503 I HA -0.260 3.901 4.170 -0.014 0.000 0.242 503 I C 3.098 179.109 176.117 -0.177 0.000 1.088 503 I CA 1.551 62.788 61.300 -0.105 0.000 1.357 503 I CB -0.590 37.203 38.000 -0.345 0.000 1.051 503 I HN 0.314 nan 8.210 nan 0.000 0.409 504 A N 0.466 123.282 122.820 -0.006 0.000 1.940 504 A HA -0.247 4.064 4.320 -0.014 0.000 0.219 504 A C 2.191 179.779 177.584 0.006 0.000 1.176 504 A CA 1.817 53.916 52.037 0.104 0.000 0.631 504 A CB -0.627 18.486 19.000 0.188 0.000 0.814 504 A HN 0.469 nan 8.150 nan 0.000 0.446 505 E N -0.768 119.414 120.200 -0.029 0.000 2.085 505 E HA -0.211 4.131 4.350 -0.014 0.000 0.194 505 E C 2.379 178.900 176.600 -0.131 0.000 0.994 505 E CA 1.243 57.608 56.400 -0.058 0.000 0.801 505 E CB -0.094 29.578 29.700 -0.045 0.000 0.743 505 E HN 0.411 nan 8.360 nan 0.000 0.453 506 R N 0.378 120.712 120.500 -0.275 0.000 2.052 506 R HA -0.005 4.326 4.340 -0.014 0.000 0.224 506 R C 2.525 178.657 176.300 -0.280 0.000 1.165 506 R CA 1.166 56.983 56.100 -0.473 0.000 0.939 506 R CB -0.914 28.705 30.300 -1.134 0.000 0.834 506 R HN 0.332 nan 8.270 nan 0.000 0.435 507 I N -2.354 118.061 120.570 -0.257 0.000 3.883 507 I HA 0.402 4.563 4.170 -0.014 0.000 0.326 507 I C 0.605 176.716 176.117 -0.010 0.000 1.283 507 I CA 0.390 61.623 61.300 -0.112 0.000 1.161 507 I CB 0.493 38.413 38.000 -0.133 0.000 1.012 507 I HN 0.264 nan 8.210 nan 0.000 0.421 508 G N 1.760 110.574 108.800 0.023 0.000 2.526 508 G HA2 -0.175 3.777 3.960 -0.014 0.000 0.250 508 G HA3 -0.175 3.777 3.960 -0.014 0.000 0.250 508 G C -0.120 174.921 174.900 0.235 0.000 1.289 508 G CA 0.038 45.197 45.100 0.097 0.000 0.947 508 G HN 0.387 nan 8.290 nan 0.000 0.517 509 E N -0.579 119.732 120.200 0.185 0.000 2.526 509 E HA 0.119 4.461 4.350 -0.014 0.000 0.208 509 E C 1.542 178.161 176.600 0.030 0.000 0.997 509 E CA -0.170 56.306 56.400 0.127 0.000 0.961 509 E CB 0.587 30.318 29.700 0.052 0.000 1.030 509 E HN 0.406 nan 8.360 nan 0.000 0.483 510 E N 0.631 120.892 120.200 0.103 0.000 2.409 510 E HA -0.139 4.203 4.350 -0.014 0.000 0.198 510 E C 1.285 177.909 176.600 0.041 0.000 1.024 510 E CA 0.569 57.004 56.400 0.057 0.000 0.861 510 E CB 0.066 29.809 29.700 0.071 0.000 0.788 510 E HN 0.492 nan 8.360 nan 0.000 0.521 511 Y N -1.463 118.835 120.300 -0.004 0.000 2.639 511 Y HA 0.025 4.568 4.550 -0.012 0.000 0.297 511 Y C 1.654 177.525 175.900 -0.047 0.000 1.151 511 Y CA 0.395 58.485 58.100 -0.017 0.000 1.335 511 Y CB -0.729 37.725 38.460 -0.010 0.000 0.994 511 Y HN -0.051 nan 8.280 nan 0.000 0.548 512 I N -0.418 119.841 120.570 -0.518 0.000 3.419 512 I HA -0.069 4.092 4.170 -0.014 0.000 0.286 512 I C 1.508 177.409 176.117 -0.360 0.000 1.268 512 I CA 0.695 61.648 61.300 -0.579 0.000 1.414 512 I CB -0.087 37.402 38.000 -0.852 0.000 1.074 512 I HN 0.153 nan 8.210 nan 0.000 0.457 513 S N -0.222 115.376 115.700 -0.171 0.000 2.502 513 S HA 0.070 4.532 4.470 -0.014 0.000 0.215 513 S C -0.124 174.464 174.600 -0.021 0.000 1.009 513 S CA -0.054 58.110 58.200 -0.059 0.000 0.908 513 S CB 0.102 63.314 63.200 0.020 0.000 0.801 513 S HN 0.410 nan 8.310 nan 0.000 0.505 514 D N 0.759 121.156 120.400 -0.004 0.000 2.479 514 D HA 0.259 4.891 4.640 -0.014 0.000 0.246 514 D C 0.243 176.575 176.300 0.053 0.000 1.336 514 D CA -0.480 53.531 54.000 0.019 0.000 0.967 514 D CB 0.414 41.228 40.800 0.023 0.000 1.275 514 D HN -0.047 nan 8.370 nan 0.000 0.577 515 L N 0.836 122.091 121.223 0.053 0.000 2.456 515 L HA -0.104 4.228 4.340 -0.014 0.000 0.224 515 L C 1.006 177.918 176.870 0.070 0.000 1.148 515 L CA 0.860 55.761 54.840 0.102 0.000 0.825 515 L CB 0.041 42.154 42.059 0.090 0.000 0.937 515 L HN 0.368 nan 8.230 nan 0.000 0.450 516 D N -0.025 120.394 120.400 0.032 0.000 2.221 516 D HA -0.221 4.411 4.640 -0.014 0.000 0.204 516 D C 1.843 178.161 176.300 0.030 0.000 0.982 516 D CA 0.999 55.006 54.000 0.012 0.000 0.857 516 D CB 0.027 40.823 40.800 -0.007 0.000 0.934 516 D HN 0.487 nan 8.370 nan 0.000 0.475 517 Q N -0.117 119.716 119.800 0.054 0.000 2.515 517 Q HA -0.111 4.220 4.340 -0.014 0.000 0.215 517 Q C 1.748 177.767 176.000 0.032 0.000 0.983 517 Q CA 0.090 55.926 55.803 0.055 0.000 0.905 517 Q CB 0.054 28.849 28.738 0.095 0.000 0.961 517 Q HN 0.174 nan 8.270 nan 0.000 0.503 518 L N 0.155 121.397 121.223 0.030 0.000 2.376 518 L HA -0.084 4.248 4.340 -0.014 0.000 0.219 518 L C 2.067 178.943 176.870 0.011 0.000 1.133 518 L CA 1.285 56.117 54.840 -0.013 0.000 0.816 518 L CB -0.256 41.813 42.059 0.016 0.000 0.933 518 L HN 0.058 nan 8.230 nan 0.000 0.449 519 R N -0.455 120.056 120.500 0.019 0.000 2.159 519 R HA -0.168 4.163 4.340 -0.014 0.000 0.237 519 R C 1.867 178.182 176.300 0.025 0.000 1.131 519 R CA 1.113 57.225 56.100 0.020 0.000 0.982 519 R CB -0.003 30.302 30.300 0.009 0.000 0.868 519 R HN 0.341 nan 8.270 nan 0.000 0.453 520 K N 0.243 120.658 120.400 0.025 0.000 2.442 520 K HA -0.098 4.214 4.320 -0.014 0.000 0.198 520 K C 1.676 178.334 176.600 0.095 0.000 1.042 520 K CA 0.611 56.922 56.287 0.040 0.000 0.958 520 K CB 0.065 32.588 32.500 0.039 0.000 0.766 520 K HN 0.293 nan 8.250 nan 0.000 0.474 521 L N 0.536 121.813 121.223 0.091 0.000 2.395 521 L HA -0.101 4.231 4.340 -0.014 0.000 0.218 521 L C 1.918 178.911 176.870 0.204 0.000 1.130 521 L CA 0.087 55.030 54.840 0.171 0.000 0.826 521 L CB -0.178 41.954 42.059 0.121 0.000 0.941 521 L HN 0.139 nan 8.230 nan 0.000 0.451 522 L N -0.107 121.178 121.223 0.103 0.000 2.079 522 L HA -0.210 4.122 4.340 -0.014 0.000 0.210 522 L C 2.512 179.394 176.870 0.020 0.000 1.081 522 L CA 1.587 56.465 54.840 0.064 0.000 0.752 522 L CB -0.877 41.199 42.059 0.028 0.000 0.896 522 L HN 0.150 nan 8.230 nan 0.000 0.433 523 S N -1.652 114.011 115.700 -0.061 0.000 2.584 523 S HA -0.131 4.330 4.470 -0.014 0.000 0.240 523 S C 0.866 175.201 174.600 -0.442 0.000 0.975 523 S CA 0.658 58.695 58.200 -0.271 0.000 0.949 523 S CB -0.380 62.574 63.200 -0.409 0.000 0.761 523 S HN 0.494 nan 8.310 nan 0.000 0.536 524 Y N -1.222 119.059 120.300 -0.033 0.000 2.612 524 Y HA 0.367 4.913 4.550 -0.006 0.000 0.250 524 Y C 1.620 177.602 175.900 0.136 0.000 1.175 524 Y CA -0.585 57.511 58.100 -0.007 0.000 1.205 524 Y CB -0.082 38.236 38.460 -0.237 0.000 1.201 524 Y HN 0.091 nan 8.280 nan 0.000 0.532 525 V N 0.399 120.419 119.914 0.176 0.000 2.490 525 V HA -0.178 3.933 4.120 -0.014 0.000 0.250 525 V C 0.168 176.325 176.094 0.105 0.000 1.061 525 V CA 1.925 64.311 62.300 0.144 0.000 1.064 525 V CB -0.064 31.806 31.823 0.079 0.000 0.670 525 V HN 0.239 nan 8.190 nan 0.000 0.461 526 D N 1.534 121.976 120.400 0.070 0.000 2.460 526 D HA 0.346 4.978 4.640 -0.014 0.000 0.268 526 D C -0.866 175.469 176.300 0.057 0.000 1.153 526 D CA 0.083 54.112 54.000 0.049 0.000 0.929 526 D CB 0.676 41.484 40.800 0.013 0.000 1.015 526 D HN 0.385 nan 8.370 nan 0.000 0.502 527 D N 1.494 121.962 120.400 0.114 0.000 2.591 527 D HA -0.023 4.609 4.640 -0.014 0.000 0.222 527 D C 0.646 177.040 176.300 0.157 0.000 1.360 527 D CA -0.269 53.815 54.000 0.140 0.000 0.967 527 D CB 1.632 42.571 40.800 0.231 0.000 1.456 527 D HN -0.075 nan 8.370 nan 0.000 0.588 528 E N 2.717 122.979 120.200 0.104 0.000 2.204 528 E HA 0.015 4.357 4.350 -0.014 0.000 0.194 528 E C 1.630 178.288 176.600 0.096 0.000 0.989 528 E CA 1.516 57.966 56.400 0.084 0.000 0.824 528 E CB 0.141 29.872 29.700 0.052 0.000 0.756 528 E HN 0.526 nan 8.360 nan 0.000 0.477 529 A N -0.043 122.849 122.820 0.120 0.000 1.855 529 A HA -0.124 4.187 4.320 -0.014 0.000 0.215 529 A C 2.102 179.799 177.584 0.187 0.000 1.191 529 A CA 1.268 53.378 52.037 0.122 0.000 0.613 529 A CB -0.957 18.112 19.000 0.115 0.000 0.829 529 A HN 0.387 nan 8.150 nan 0.000 0.442 530 F N 0.629 120.601 119.950 0.037 0.000 2.171 530 F HA -0.099 4.421 4.527 -0.012 0.000 0.300 530 F C 1.994 177.805 175.800 0.019 0.000 1.090 530 F CA 1.024 59.033 58.000 0.016 0.000 1.293 530 F CB -0.331 38.701 39.000 0.053 0.000 1.013 530 F HN 0.160 nan 8.300 nan 0.000 0.486 531 I N -0.612 120.027 120.570 0.115 0.000 2.394 531 I HA -0.253 3.908 4.170 -0.014 0.000 0.251 531 I C 2.608 178.698 176.117 -0.045 0.000 1.136 531 I CA 1.063 62.357 61.300 -0.011 0.000 1.425 531 I CB -0.440 37.586 38.000 0.042 0.000 1.079 531 I HN 0.019 nan 8.210 nan 0.000 0.425 532 R N 0.566 121.062 120.500 -0.007 0.000 2.153 532 R HA -0.124 4.208 4.340 -0.014 0.000 0.218 532 R C 1.583 177.857 176.300 -0.043 0.000 1.072 532 R CA 1.158 57.247 56.100 -0.018 0.000 0.990 532 R CB 0.054 30.358 30.300 0.008 0.000 0.889 532 R HN 0.263 nan 8.270 nan 0.000 0.452 533 D N -0.300 120.067 120.400 -0.055 0.000 2.110 533 D HA -0.093 4.538 4.640 -0.014 0.000 0.202 533 D C 1.926 178.121 176.300 -0.176 0.000 0.975 533 D CA 1.015 54.970 54.000 -0.075 0.000 0.839 533 D CB -0.164 40.639 40.800 0.006 0.000 0.996 533 D HN -0.052 nan 8.370 nan 0.000 0.464 534 V N 1.418 121.117 119.914 -0.357 0.000 2.324 534 V HA -0.277 3.835 4.120 -0.014 0.000 0.250 534 V C 2.393 178.387 176.094 -0.168 0.000 1.060 534 V CA 2.075 64.162 62.300 -0.355 0.000 1.042 534 V CB -0.797 30.727 31.823 -0.499 0.000 0.650 534 V HN 0.216 nan 8.190 nan 0.000 0.450 535 A N -0.311 122.436 122.820 -0.121 0.000 2.067 535 A HA -0.122 4.189 4.320 -0.014 0.000 0.217 535 A C 2.318 179.869 177.584 -0.056 0.000 1.156 535 A CA 1.444 53.443 52.037 -0.063 0.000 0.683 535 A CB -0.353 18.617 19.000 -0.049 0.000 0.808 535 A HN 0.491 nan 8.150 nan 0.000 0.455 536 K N 0.912 121.277 120.400 -0.059 0.000 2.031 536 K HA -0.097 4.214 4.320 -0.014 0.000 0.205 536 K C 1.907 178.485 176.600 -0.036 0.000 1.049 536 K CA 2.074 58.337 56.287 -0.041 0.000 0.939 536 K CB -0.811 31.670 32.500 -0.032 0.000 0.717 536 K HN 0.510 nan 8.250 nan 0.000 0.438 537 V N 0.128 120.016 119.914 -0.044 0.000 2.515 537 V HA -0.101 4.010 4.120 -0.014 0.000 0.250 537 V C 2.468 178.547 176.094 -0.025 0.000 1.058 537 V CA 2.073 64.355 62.300 -0.030 0.000 1.064 537 V CB -0.635 31.169 31.823 -0.032 0.000 0.675 537 V HN 0.223 nan 8.190 nan 0.000 0.461 538 K N 0.136 120.518 120.400 -0.031 0.000 2.097 538 K HA -0.125 4.186 4.320 -0.014 0.000 0.205 538 K C 2.330 178.906 176.600 -0.040 0.000 1.050 538 K CA 1.719 57.996 56.287 -0.018 0.000 0.938 538 K CB -0.561 31.943 32.500 0.007 0.000 0.718 538 K HN 0.555 nan 8.250 nan 0.000 0.442 539 Q N 0.460 120.232 119.800 -0.047 0.000 2.172 539 Q HA -0.119 4.212 4.340 -0.014 0.000 0.200 539 Q C 1.703 177.680 176.000 -0.039 0.000 0.964 539 Q CA 1.429 57.195 55.803 -0.062 0.000 0.855 539 Q CB 0.118 28.824 28.738 -0.052 0.000 0.918 539 Q HN 0.514 nan 8.270 nan 0.000 0.444 540 E N 0.164 120.354 120.200 -0.017 0.000 2.028 540 E HA -0.150 4.191 4.350 -0.014 0.000 0.191 540 E C 1.817 178.432 176.600 0.025 0.000 0.988 540 E CA 0.853 57.256 56.400 0.005 0.000 0.799 540 E CB -0.002 29.701 29.700 0.006 0.000 0.755 540 E HN 0.308 nan 8.360 nan 0.000 0.447 541 N N 1.167 119.881 118.700 0.024 0.000 2.094 541 N HA -0.189 4.542 4.740 -0.014 0.000 0.191 541 N C 1.516 177.091 175.510 0.108 0.000 1.023 541 N CA 1.249 54.333 53.050 0.056 0.000 0.857 541 N CB -0.171 38.337 38.487 0.036 0.000 1.013 541 N HN 0.151 nan 8.380 nan 0.000 0.426 542 K N 0.425 120.841 120.400 0.026 0.000 2.148 542 K HA 0.043 4.355 4.320 -0.014 0.000 0.204 542 K C 2.087 178.745 176.600 0.095 0.000 1.050 542 K CA 0.500 56.773 56.287 -0.023 0.000 0.942 542 K CB -0.078 32.148 32.500 -0.457 0.000 0.724 542 K HN 0.156 nan 8.250 nan 0.000 0.446 543 L N 1.063 122.321 121.223 0.058 0.000 2.056 543 L HA -0.183 4.149 4.340 -0.014 0.000 0.207 543 L C 2.142 179.091 176.870 0.132 0.000 1.078 543 L CA 0.992 55.883 54.840 0.085 0.000 0.749 543 L CB -0.335 41.756 42.059 0.053 0.000 0.901 543 L HN 0.065 nan 8.230 nan 0.000 0.433 544 K N -0.219 120.268 120.400 0.145 0.000 2.025 544 K HA -0.156 4.156 4.320 -0.014 0.000 0.207 544 K C 2.006 178.755 176.600 0.248 0.000 1.049 544 K CA 1.381 57.766 56.287 0.163 0.000 0.933 544 K CB -0.981 31.599 32.500 0.133 0.000 0.714 544 K HN 0.111 nan 8.250 nan 0.000 0.438 545 F N 1.970 122.021 119.950 0.168 0.000 2.293 545 F HA -0.047 4.471 4.527 -0.014 0.000 0.300 545 F C 2.101 178.063 175.800 0.270 0.000 1.086 545 F CA 0.680 58.816 58.000 0.226 0.000 1.375 545 F CB -0.381 38.767 39.000 0.247 0.000 1.045 545 F HN 0.038 nan 8.300 nan 0.000 0.516 546 A N -0.072 122.873 122.820 0.209 0.000 1.930 546 A HA 0.048 4.359 4.320 -0.014 0.000 0.217 546 A C 2.428 180.001 177.584 -0.018 0.000 1.175 546 A CA 1.503 53.576 52.037 0.060 0.000 0.627 546 A CB -1.357 17.726 19.000 0.137 0.000 0.815 546 A HN 0.400 nan 8.150 nan 0.000 0.443 547 A N -0.876 121.979 122.820 0.059 0.000 1.825 547 A HA -0.096 4.215 4.320 -0.014 0.000 0.214 547 A C 2.115 179.716 177.584 0.028 0.000 1.206 547 A CA 1.632 53.706 52.037 0.060 0.000 0.609 547 A CB -1.258 17.797 19.000 0.092 0.000 0.851 547 A HN 0.834 nan 8.150 nan 0.000 0.445 548 Y N 0.036 120.297 120.300 -0.066 0.000 2.132 548 Y HA -0.287 4.255 4.550 -0.014 0.000 0.280 548 Y C 1.981 177.782 175.900 -0.166 0.000 1.193 548 Y CA 2.192 60.233 58.100 -0.098 0.000 1.157 548 Y CB -0.466 37.969 38.460 -0.043 0.000 0.966 548 Y HN 0.216 nan 8.280 nan 0.000 0.511 549 L N 0.809 121.878 121.223 -0.257 0.000 2.017 549 L HA -0.200 4.131 4.340 -0.014 0.000 0.208 549 L C 2.449 179.197 176.870 -0.204 0.000 1.073 549 L CA 2.191 56.858 54.840 -0.288 0.000 0.745 549 L CB -0.970 40.883 42.059 -0.342 0.000 0.894 549 L HN 0.358 nan 8.230 nan 0.000 0.432 550 E N -1.023 119.094 120.200 -0.139 0.000 2.031 550 E HA -0.286 4.056 4.350 -0.014 0.000 0.193 550 E C 2.345 178.876 176.600 -0.114 0.000 0.994 550 E CA 1.333 57.689 56.400 -0.073 0.000 0.800 550 E CB -0.179 29.520 29.700 -0.001 0.000 0.752 550 E HN 0.339 nan 8.360 nan 0.000 0.447 551 R N 0.899 121.310 120.500 -0.148 0.000 2.094 551 R HA -0.194 4.138 4.340 -0.014 0.000 0.239 551 R C 1.201 177.346 176.300 -0.257 0.000 1.137 551 R CA 1.987 57.990 56.100 -0.161 0.000 0.943 551 R CB -0.016 30.207 30.300 -0.129 0.000 0.850 551 R HN 0.125 nan 8.270 nan 0.000 0.433 552 E N -2.044 117.861 120.200 -0.491 0.000 2.538 552 E HA 0.053 4.395 4.350 -0.014 0.000 0.207 552 E C -0.155 175.967 176.600 -0.796 0.000 1.002 552 E CA -0.114 55.888 56.400 -0.664 0.000 0.952 552 E CB 0.759 29.899 29.700 -0.933 0.000 1.031 552 E HN 0.363 nan 8.360 nan 0.000 0.476 553 Y N -0.436 119.712 120.300 -0.252 0.000 3.189 553 Y HA 0.132 4.673 4.550 -0.014 0.000 0.213 553 Y C 1.023 176.860 175.900 -0.104 0.000 1.032 553 Y CA -0.044 57.959 58.100 -0.162 0.000 1.482 553 Y CB 0.452 38.806 38.460 -0.177 0.000 1.460 553 Y HN -0.148 nan 8.280 nan 0.000 0.398 554 K N -1.460 118.976 120.400 0.060 0.000 1.679 554 K HA 0.475 4.786 4.320 -0.014 0.000 0.300 554 K C -0.987 175.617 176.600 0.006 0.000 0.874 554 K CA -0.365 55.942 56.287 0.032 0.000 0.404 554 K CB 0.726 33.247 32.500 0.036 0.000 3.194 554 K HN -0.200 nan 8.250 nan 0.000 1.138 555 V N 2.516 122.428 119.914 -0.004 0.000 2.686 555 V HA 0.183 4.294 4.120 -0.014 0.000 0.295 555 V C -0.802 175.301 176.094 0.014 0.000 1.057 555 V CA -0.162 62.142 62.300 0.007 0.000 1.012 555 V CB 0.559 32.371 31.823 -0.019 0.000 1.006 555 V HN 0.628 nan 8.190 nan 0.000 0.477 556 H N 6.225 125.279 119.070 -0.027 0.000 3.145 556 H HA 0.307 4.854 4.556 -0.014 0.000 0.263 556 H C 0.280 175.603 175.328 -0.009 0.000 1.057 556 H CA 0.156 56.197 56.048 -0.012 0.000 1.477 556 H CB 0.090 29.852 29.762 0.000 0.000 1.529 556 H HN 0.647 nan 8.280 nan 0.000 0.508 557 I N 1.759 122.162 120.570 -0.278 0.000 2.532 557 I HA 0.257 4.419 4.170 -0.014 0.000 0.292 557 I C 0.302 176.266 176.117 -0.254 0.000 1.014 557 I CA -1.042 60.141 61.300 -0.196 0.000 1.340 557 I CB 1.097 38.988 38.000 -0.181 0.000 1.422 557 I HN 0.492 nan 8.210 nan 0.000 0.528 558 N N 5.890 124.573 118.700 -0.027 0.000 2.406 558 N HA 0.224 4.956 4.740 -0.014 0.000 0.265 558 N C -1.904 173.693 175.510 0.144 0.000 1.203 558 N CA -2.196 50.889 53.050 0.057 0.000 0.945 558 N CB 0.727 39.267 38.487 0.089 0.000 1.165 558 N HN 0.415 nan 8.380 nan 0.000 0.485 559 P HA -0.012 nan 4.420 nan 0.000 0.228 559 P C -0.153 177.119 177.300 -0.047 0.000 1.151 559 P CA 1.074 64.189 63.100 0.025 0.000 0.770 559 P CB 0.125 31.826 31.700 0.001 0.000 0.786 560 N N -1.523 117.199 118.700 0.036 0.000 2.398 560 N HA 0.048 4.780 4.740 -0.014 0.000 0.188 560 N C 0.117 175.680 175.510 0.089 0.000 1.122 560 N CA -0.080 52.995 53.050 0.043 0.000 0.866 560 N CB 0.010 38.532 38.487 0.059 0.000 0.970 560 N HN 0.080 nan 8.380 nan 0.000 0.462 561 S N 0.598 116.359 115.700 0.102 0.000 2.645 561 S HA 0.202 4.664 4.470 -0.014 0.000 0.266 561 S C 0.022 174.627 174.600 0.007 0.000 1.258 561 S CA -0.728 57.523 58.200 0.085 0.000 0.990 561 S CB 1.249 64.537 63.200 0.147 0.000 0.967 561 S HN 0.183 nan 8.310 nan 0.000 0.556 562 L N 2.578 123.635 121.223 -0.277 0.000 2.315 562 L HA 0.324 4.655 4.340 -0.014 0.000 0.283 562 L C -1.201 175.642 176.870 -0.045 0.000 1.089 562 L CA -0.450 54.014 54.840 -0.626 0.000 0.833 562 L CB -0.115 41.268 42.059 -1.127 0.000 1.170 562 L HN 0.445 nan 8.230 nan 0.000 0.442 563 F N 3.546 123.413 119.950 -0.139 0.000 2.434 563 F HA 0.155 4.674 4.527 -0.013 0.000 0.358 563 F C 0.466 176.232 175.800 -0.057 0.000 1.136 563 F CA -0.850 57.124 58.000 -0.043 0.000 1.157 563 F CB 0.146 39.176 39.000 0.050 0.000 1.167 563 F HN 0.432 nan 8.300 nan 0.000 0.539 564 D N 3.917 124.345 120.400 0.046 0.000 2.396 564 D HA 0.355 4.986 4.640 -0.014 0.000 0.225 564 D C -1.033 175.235 176.300 -0.053 0.000 1.121 564 D CA -0.094 53.882 54.000 -0.040 0.000 0.853 564 D CB 0.983 41.730 40.800 -0.089 0.000 1.043 564 D HN 0.279 nan 8.370 nan 0.000 0.500 565 V N 2.121 121.997 119.914 -0.064 0.000 2.656 565 V HA 0.568 4.680 4.120 -0.014 0.000 0.307 565 V C -1.216 174.789 176.094 -0.147 0.000 1.051 565 V CA -0.777 61.480 62.300 -0.071 0.000 0.893 565 V CB 1.903 33.749 31.823 0.038 0.000 0.999 565 V HN 0.473 nan 8.190 nan 0.000 0.426 566 Q N 3.998 123.707 119.800 -0.152 0.000 2.523 566 Q HA 0.636 4.968 4.340 -0.014 0.000 0.251 566 Q C -1.142 174.717 176.000 -0.233 0.000 1.033 566 Q CA -0.618 55.078 55.803 -0.180 0.000 0.746 566 Q CB 1.662 30.308 28.738 -0.154 0.000 1.189 566 Q HN 1.126 nan 8.270 nan 0.000 0.508 567 V N 1.684 121.444 119.914 -0.257 0.000 2.409 567 V HA 0.839 4.950 4.120 -0.014 0.000 0.291 567 V C -0.765 174.992 176.094 -0.561 0.000 1.020 567 V CA -0.530 61.397 62.300 -0.623 0.000 0.848 567 V CB 0.952 32.223 31.823 -0.919 0.000 0.990 567 V HN 0.779 nan 8.190 nan 0.000 0.430 568 K N 3.105 123.231 120.400 -0.455 0.000 3.040 568 K HA 0.353 4.664 4.320 -0.014 0.000 0.300 568 K C -0.936 175.620 176.600 -0.073 0.000 1.092 568 K CA -1.210 54.987 56.287 -0.149 0.000 0.831 568 K CB 1.166 33.583 32.500 -0.139 0.000 1.469 568 K HN 0.877 nan 8.250 nan 0.000 0.365 569 R N 1.042 121.536 120.500 -0.011 0.000 2.679 569 R HA 0.149 4.481 4.340 -0.014 0.000 0.268 569 R C -0.210 176.094 176.300 0.007 0.000 1.044 569 R CA -0.489 55.638 56.100 0.045 0.000 1.105 569 R CB 0.071 30.411 30.300 0.066 0.000 0.989 569 R HN 0.417 nan 8.270 nan 0.000 0.447 570 I N 3.846 124.469 120.570 0.088 0.000 2.421 570 I HA 0.181 4.342 4.170 -0.014 0.000 0.291 570 I C 0.597 176.794 176.117 0.134 0.000 1.089 570 I CA 0.162 61.482 61.300 0.032 0.000 1.354 570 I CB -0.653 37.339 38.000 -0.014 0.000 1.413 570 I HN 0.644 nan 8.210 nan 0.000 0.513 571 H N 3.705 122.698 119.070 -0.128 0.000 2.985 571 H HA 0.263 4.810 4.556 -0.014 0.000 0.360 571 H C 0.273 175.544 175.328 -0.095 0.000 1.221 571 H CA -0.661 55.394 56.048 0.011 0.000 1.121 571 H CB 2.562 32.337 29.762 0.021 0.000 1.854 571 H HN 0.480 nan 8.280 nan 0.000 0.551 572 E N 0.601 120.907 120.200 0.177 0.000 2.072 572 E HA -0.174 4.167 4.350 -0.014 0.000 0.190 572 E C 1.593 178.043 176.600 -0.249 0.000 0.982 572 E CA 1.100 57.547 56.400 0.078 0.000 0.803 572 E CB 0.042 29.972 29.700 0.383 0.000 0.755 572 E HN 0.524 nan 8.360 nan 0.000 0.453 573 Y N 1.084 120.873 120.300 -0.852 0.000 2.333 573 Y HA -0.083 4.458 4.550 -0.014 0.000 0.290 573 Y C 1.588 177.256 175.900 -0.387 0.000 1.144 573 Y CA 0.992 58.454 58.100 -1.064 0.000 1.228 573 Y CB -0.123 37.703 38.460 -1.057 0.000 0.985 573 Y HN -0.211 nan 8.280 nan 0.000 0.542 574 K N 0.535 120.496 120.400 -0.732 0.000 2.418 574 K HA 0.079 4.391 4.320 -0.014 0.000 0.195 574 K C 0.224 176.650 176.600 -0.290 0.000 1.035 574 K CA 0.357 56.290 56.287 -0.589 0.000 1.003 574 K CB 0.010 32.109 32.500 -0.667 0.000 0.793 574 K HN 0.218 nan 8.250 nan 0.000 0.494 575 R N 0.434 120.803 120.500 -0.218 0.000 3.333 575 R HA -0.234 4.097 4.340 -0.014 0.000 0.256 575 R C 0.350 176.580 176.300 -0.118 0.000 1.010 575 R CA 0.129 56.153 56.100 -0.127 0.000 0.680 575 R CB -1.539 28.698 30.300 -0.104 0.000 1.102 575 R HN 0.241 nan 8.270 nan 0.000 0.440 576 Q N 0.028 119.760 119.800 -0.114 0.000 2.234 576 Q HA -0.080 4.252 4.340 -0.014 0.000 0.206 576 Q C 1.797 177.758 176.000 -0.064 0.000 0.980 576 Q CA 1.453 57.203 55.803 -0.088 0.000 0.869 576 Q CB 0.035 28.726 28.738 -0.079 0.000 0.912 576 Q HN 0.598 nan 8.270 nan 0.000 0.436 577 L N -0.608 120.581 121.223 -0.056 0.000 2.201 577 L HA -0.145 4.186 4.340 -0.014 0.000 0.212 577 L C 1.930 178.806 176.870 0.009 0.000 1.105 577 L CA 0.330 55.150 54.840 -0.034 0.000 0.775 577 L CB -0.240 41.807 42.059 -0.019 0.000 0.913 577 L HN 0.285 nan 8.230 nan 0.000 0.440 578 L N -0.051 121.165 121.223 -0.012 0.000 2.056 578 L HA -0.214 4.117 4.340 -0.014 0.000 0.207 578 L C 2.050 178.930 176.870 0.017 0.000 1.078 578 L CA 1.873 56.705 54.840 -0.014 0.000 0.749 578 L CB -0.658 41.283 42.059 -0.197 0.000 0.901 578 L HN 0.291 nan 8.230 nan 0.000 0.433 579 N N -1.819 116.875 118.700 -0.010 0.000 2.244 579 N HA -0.212 4.520 4.740 -0.014 0.000 0.183 579 N C 1.885 177.493 175.510 0.163 0.000 1.016 579 N CA 1.283 54.416 53.050 0.138 0.000 0.866 579 N CB -0.097 38.422 38.487 0.054 0.000 0.980 579 N HN 0.475 nan 8.380 nan 0.000 0.430 580 C N 0.451 119.785 119.300 0.058 0.000 2.425 580 C HA -0.027 4.424 4.460 -0.014 0.000 0.277 580 C C 2.540 177.555 174.990 0.041 0.000 1.280 580 C CA 0.289 59.301 59.018 -0.011 0.000 1.744 580 C CB -1.171 26.502 27.740 -0.111 0.000 1.989 580 C HN 0.516 nan 8.230 nan 0.000 0.491 581 L N -0.307 120.997 121.223 0.135 0.000 2.046 581 L HA -0.189 4.143 4.340 -0.014 0.000 0.208 581 L C 2.795 179.851 176.870 0.309 0.000 1.077 581 L CA 1.715 56.682 54.840 0.212 0.000 0.747 581 L CB -1.104 41.136 42.059 0.302 0.000 0.896 581 L HN 0.563 nan 8.230 nan 0.000 0.432 582 H N 0.073 119.306 119.070 0.272 0.000 2.319 582 H HA -0.151 4.397 4.556 -0.014 0.000 0.299 582 H C 2.248 177.615 175.328 0.065 0.000 1.092 582 H CA 2.077 58.219 56.048 0.157 0.000 1.302 582 H CB 0.271 30.111 29.762 0.132 0.000 1.373 582 H HN 0.085 nan 8.280 nan 0.000 0.497 583 V N 1.524 121.469 119.914 0.052 0.000 2.255 583 V HA -0.276 3.835 4.120 -0.014 0.000 0.247 583 V C 2.914 179.009 176.094 0.003 0.000 1.051 583 V CA 1.925 64.212 62.300 -0.023 0.000 1.018 583 V CB -0.559 31.265 31.823 0.001 0.000 0.641 583 V HN 0.373 nan 8.190 nan 0.000 0.445 584 I N -0.254 120.346 120.570 0.050 0.000 2.208 584 I HA -0.281 3.880 4.170 -0.014 0.000 0.245 584 I C 2.527 178.754 176.117 0.183 0.000 1.097 584 I CA 1.929 63.350 61.300 0.200 0.000 1.363 584 I CB -0.733 37.369 38.000 0.170 0.000 1.051 584 I HN 0.345 nan 8.210 nan 0.000 0.413 585 T N 1.181 115.776 114.554 0.068 0.000 2.652 585 T HA -0.189 4.153 4.350 -0.014 0.000 0.267 585 T C 1.882 176.540 174.700 -0.070 0.000 1.039 585 T CA 1.385 63.494 62.100 0.015 0.000 1.153 585 T CB -0.341 68.529 68.868 0.003 0.000 0.863 585 T HN 0.086 nan 8.240 nan 0.000 0.428 586 L N 0.167 121.277 121.223 -0.188 0.000 2.013 586 L HA -0.110 4.222 4.340 -0.014 0.000 0.212 586 L C 2.180 179.034 176.870 -0.026 0.000 1.073 586 L CA 1.745 56.485 54.840 -0.167 0.000 0.753 586 L CB -0.956 40.966 42.059 -0.228 0.000 0.890 586 L HN 0.366 nan 8.230 nan 0.000 0.432 587 Y N 0.020 120.289 120.300 -0.051 0.000 2.274 587 Y HA -0.224 4.317 4.550 -0.014 0.000 0.290 587 Y C 2.335 178.242 175.900 0.012 0.000 1.145 587 Y CA 1.599 59.705 58.100 0.010 0.000 1.203 587 Y CB -0.266 38.252 38.460 0.097 0.000 0.984 587 Y HN 0.296 nan 8.280 nan 0.000 0.533 588 N N 0.205 118.858 118.700 -0.078 0.000 2.270 588 N HA -0.077 4.654 4.740 -0.014 0.000 0.181 588 N C 1.806 177.209 175.510 -0.180 0.000 1.016 588 N CA 1.156 54.097 53.050 -0.182 0.000 0.870 588 N CB -0.254 38.202 38.487 -0.052 0.000 0.979 588 N HN 0.426 nan 8.380 nan 0.000 0.431 589 R N 0.281 120.703 120.500 -0.130 0.000 2.090 589 R HA 0.126 4.457 4.340 -0.014 0.000 0.228 589 R C 2.115 178.336 176.300 -0.132 0.000 1.110 589 R CA 0.624 56.654 56.100 -0.118 0.000 0.973 589 R CB -0.148 30.091 30.300 -0.102 0.000 0.869 589 R HN 0.223 nan 8.270 nan 0.000 0.440 590 I N 1.078 121.558 120.570 -0.150 0.000 2.113 590 I HA -0.279 3.883 4.170 -0.014 0.000 0.238 590 I C 2.101 178.118 176.117 -0.167 0.000 1.070 590 I CA 1.232 62.450 61.300 -0.137 0.000 1.332 590 I CB -0.254 37.679 38.000 -0.111 0.000 1.044 590 I HN 0.043 nan 8.210 nan 0.000 0.402 591 K N 1.049 121.285 120.400 -0.274 0.000 2.113 591 K HA -0.259 4.053 4.320 -0.014 0.000 0.208 591 K C 1.958 178.448 176.600 -0.183 0.000 1.047 591 K CA 1.432 57.554 56.287 -0.274 0.000 0.928 591 K CB -0.489 31.739 32.500 -0.454 0.000 0.716 591 K HN 0.394 nan 8.250 nan 0.000 0.446 592 K N 1.274 121.574 120.400 -0.167 0.000 2.025 592 K HA -0.113 4.199 4.320 -0.014 0.000 0.207 592 K C 0.170 176.716 176.600 -0.090 0.000 1.049 592 K CA 1.284 57.498 56.287 -0.122 0.000 0.933 592 K CB 0.219 32.652 32.500 -0.111 0.000 0.714 592 K HN 0.052 nan 8.250 nan 0.000 0.438 593 E N 0.337 120.486 120.200 -0.085 0.000 3.568 593 E HA 0.140 4.482 4.350 -0.014 0.000 0.213 593 E C -2.320 174.247 176.600 -0.055 0.000 1.197 593 E CA -1.644 54.719 56.400 -0.060 0.000 1.126 593 E CB 1.718 31.388 29.700 -0.050 0.000 1.285 593 E HN 0.217 nan 8.360 nan 0.000 0.418 594 P HA -0.123 nan 4.420 nan 0.000 0.221 594 P C 0.047 177.333 177.300 -0.023 0.000 1.145 594 P CA 1.123 64.195 63.100 -0.046 0.000 0.795 594 P CB 0.192 31.867 31.700 -0.042 0.000 0.775 595 N N -1.402 117.292 118.700 -0.011 0.000 2.338 595 N HA 0.086 4.817 4.740 -0.014 0.000 0.251 595 N C -0.010 175.516 175.510 0.027 0.000 1.199 595 N CA -0.192 52.864 53.050 0.009 0.000 0.879 595 N CB 0.315 38.806 38.487 0.007 0.000 1.159 595 N HN -0.023 nan 8.380 nan 0.000 0.514 596 K N 0.942 121.354 120.400 0.020 0.000 2.159 596 K HA 0.228 4.540 4.320 -0.014 0.000 0.266 596 K C -1.014 175.632 176.600 0.075 0.000 0.975 596 K CA -0.702 55.610 56.287 0.043 0.000 0.865 596 K CB 0.966 33.470 32.500 0.007 0.000 1.087 596 K HN -0.052 nan 8.250 nan 0.000 0.446 597 F N 4.880 124.817 119.950 -0.022 0.000 2.484 597 F HA 0.184 4.702 4.527 -0.014 0.000 0.360 597 F C -0.316 175.469 175.800 -0.025 0.000 1.101 597 F CA -0.147 57.842 58.000 -0.020 0.000 1.251 597 F CB 0.641 39.631 39.000 -0.017 0.000 1.132 597 F HN 0.188 nan 8.300 nan 0.000 0.570 598 V N 4.485 123.943 119.914 -0.760 0.000 2.864 598 V HA 0.586 4.698 4.120 -0.014 0.000 0.314 598 V C -0.688 174.762 176.094 -1.074 0.000 1.073 598 V CA -1.159 60.773 62.300 -0.613 0.000 0.956 598 V CB 1.153 32.769 31.823 -0.345 0.000 1.023 598 V HN 0.579 nan 8.190 nan 0.000 0.435 599 V N 4.746 124.315 119.914 -0.575 0.000 2.529 599 V HA 0.225 4.337 4.120 -0.014 0.000 0.292 599 V C -1.876 174.028 176.094 -0.316 0.000 1.028 599 V CA -0.494 61.589 62.300 -0.362 0.000 1.074 599 V CB 0.784 32.543 31.823 -0.107 0.000 0.958 599 V HN 0.950 nan 8.190 nan 0.000 0.481 600 P HA 0.386 nan 4.420 nan 0.000 0.276 600 P C -0.593 176.622 177.300 -0.143 0.000 1.230 600 P CA -0.222 62.782 63.100 -0.159 0.000 0.776 600 P CB 0.594 32.251 31.700 -0.073 0.000 0.888 601 R N 1.149 121.577 120.500 -0.120 0.000 2.807 601 R HA 0.633 4.965 4.340 -0.014 0.000 0.276 601 R C -0.729 175.538 176.300 -0.055 0.000 0.979 601 R CA -0.674 55.360 56.100 -0.110 0.000 0.928 601 R CB 1.937 32.164 30.300 -0.122 0.000 1.191 601 R HN 0.309 nan 8.270 nan 0.000 0.471 602 T N 1.762 116.299 114.554 -0.029 0.000 2.864 602 T HA 0.246 4.587 4.350 -0.014 0.000 0.310 602 T C -0.295 174.340 174.700 -0.109 0.000 1.040 602 T CA -0.579 61.472 62.100 -0.082 0.000 0.977 602 T CB 1.176 69.945 68.868 -0.165 0.000 0.976 602 T HN 0.153 nan 8.240 nan 0.000 0.459 603 V N 5.387 125.241 119.914 -0.100 0.000 2.461 603 V HA 0.460 4.571 4.120 -0.014 0.000 0.275 603 V C 0.092 176.117 176.094 -0.116 0.000 1.047 603 V CA -0.374 61.872 62.300 -0.089 0.000 0.955 603 V CB 0.738 32.526 31.823 -0.058 0.000 0.988 603 V HN 0.859 nan 8.190 nan 0.000 0.471 604 M N 6.521 126.046 119.600 -0.125 0.000 2.142 604 M HA 0.594 5.066 4.480 -0.014 0.000 0.299 604 M C -1.157 175.038 176.300 -0.175 0.000 0.960 604 M CA -0.120 55.090 55.300 -0.151 0.000 0.920 604 M CB 2.107 34.629 32.600 -0.130 0.000 1.541 604 M HN 0.447 nan 8.290 nan 0.000 0.429 605 I N 1.886 122.317 120.570 -0.232 0.000 2.509 605 I HA 0.895 5.056 4.170 -0.014 0.000 0.293 605 I C 0.129 175.900 176.117 -0.577 0.000 1.020 605 I CA -0.677 60.466 61.300 -0.261 0.000 1.088 605 I CB 2.358 40.298 38.000 -0.099 0.000 1.267 605 I HN 0.801 nan 8.210 nan 0.000 0.430 606 G N 2.917 111.370 108.800 -0.579 0.000 2.703 606 G HA2 0.754 4.705 3.960 -0.014 0.000 0.294 606 G HA3 0.754 4.705 3.960 -0.014 0.000 0.294 606 G C -1.147 173.481 174.900 -0.454 0.000 1.451 606 G CA -0.452 44.154 45.100 -0.824 0.000 0.869 606 G HN 0.993 nan 8.290 nan 0.000 0.516 607 G N -0.293 108.421 108.800 -0.144 0.000 2.328 607 G HA2 0.489 4.440 3.960 -0.014 0.000 0.299 607 G HA3 0.489 4.440 3.960 -0.014 0.000 0.299 607 G C -1.490 173.562 174.900 0.253 0.000 1.435 607 G CA -0.990 44.152 45.100 0.071 0.000 0.865 607 G HN 0.607 nan 8.290 nan 0.000 0.601 608 K N 0.053 120.589 120.400 0.227 0.000 2.118 608 K HA 0.769 5.080 4.320 -0.014 0.000 0.254 608 K C -2.455 174.298 176.600 0.255 0.000 0.961 608 K CA -1.130 55.305 56.287 0.247 0.000 0.876 608 K CB 2.693 35.237 32.500 0.073 0.000 1.077 608 K HN 0.507 nan 8.250 nan 0.000 0.440 609 P HA 0.384 nan 4.420 nan 0.000 0.304 609 P C -0.976 176.520 177.300 0.326 0.000 1.360 609 P CA -0.637 62.601 63.100 0.230 0.000 0.869 609 P CB 1.310 33.063 31.700 0.088 0.000 0.988 610 A N 5.458 128.461 122.820 0.304 0.000 2.565 610 A HA 0.292 4.603 4.320 -0.014 0.000 0.237 610 A C -1.019 176.636 177.584 0.118 0.000 1.053 610 A CA -0.259 51.935 52.037 0.262 0.000 0.755 610 A CB -0.705 18.411 19.000 0.193 0.000 0.980 610 A HN 0.479 nan 8.150 nan 0.000 0.506 611 P HA -0.173 nan 4.420 nan 0.000 0.217 611 P C 1.403 178.675 177.300 -0.047 0.000 1.151 611 P CA 2.062 65.089 63.100 -0.120 0.000 0.849 611 P CB 0.208 31.772 31.700 -0.226 0.000 0.787 612 G N -3.158 105.627 108.800 -0.025 0.000 3.042 612 G HA2 -0.127 3.825 3.960 -0.014 0.000 0.212 612 G HA3 -0.127 3.825 3.960 -0.014 0.000 0.212 612 G C -0.048 174.874 174.900 0.037 0.000 1.166 612 G CA -0.016 45.072 45.100 -0.020 0.000 0.767 612 G HN 0.189 nan 8.290 nan 0.000 0.546 613 Y N 2.274 122.504 120.300 -0.115 0.000 2.632 613 Y HA 0.223 4.765 4.550 -0.014 0.000 0.336 613 Y C 1.411 177.299 175.900 -0.020 0.000 1.237 613 Y CA -1.909 56.116 58.100 -0.124 0.000 1.595 613 Y CB -0.920 37.429 38.460 -0.185 0.000 1.508 613 Y HN 0.380 nan 8.280 nan 0.000 0.480 614 H N 3.349 122.491 119.070 0.120 0.000 2.289 614 H HA -0.266 4.281 4.556 -0.014 0.000 0.294 614 H C 1.660 177.006 175.328 0.031 0.000 1.095 614 H CA 2.461 58.546 56.048 0.061 0.000 1.256 614 H CB 0.381 30.174 29.762 0.052 0.000 1.359 614 H HN 0.606 nan 8.280 nan 0.000 0.487 615 M N 0.900 120.472 119.600 -0.048 0.000 2.108 615 M HA -0.104 4.368 4.480 -0.014 0.000 0.261 615 M C 2.626 178.699 176.300 -0.377 0.000 1.066 615 M CA 1.881 57.070 55.300 -0.185 0.000 1.107 615 M CB -0.728 31.879 32.600 0.011 0.000 1.356 615 M HN 0.361 nan 8.290 nan 0.000 0.406 616 A N -0.391 121.996 122.820 -0.722 0.000 1.940 616 A HA -0.226 4.085 4.320 -0.014 0.000 0.219 616 A C 2.175 179.580 177.584 -0.298 0.000 1.176 616 A CA 2.005 53.667 52.037 -0.624 0.000 0.631 616 A CB -0.727 17.774 19.000 -0.832 0.000 0.814 616 A HN 0.603 nan 8.150 nan 0.000 0.446 617 K N -1.292 118.977 120.400 -0.218 0.000 2.217 617 K HA -0.002 4.309 4.320 -0.014 0.000 0.202 617 K C 1.805 178.349 176.600 -0.094 0.000 1.051 617 K CA 1.033 57.273 56.287 -0.078 0.000 0.952 617 K CB -0.156 32.370 32.500 0.044 0.000 0.736 617 K HN 0.370 nan 8.250 nan 0.000 0.453 618 M N 0.384 119.867 119.600 -0.196 0.000 2.236 618 M HA 0.000 4.472 4.480 -0.014 0.000 0.266 618 M C 2.094 178.322 176.300 -0.120 0.000 1.070 618 M CA 1.214 56.415 55.300 -0.165 0.000 1.137 618 M CB -0.452 32.012 32.600 -0.227 0.000 1.378 618 M HN 0.097 nan 8.290 nan 0.000 0.426 619 I N -0.039 120.437 120.570 -0.156 0.000 2.286 619 I HA -0.310 3.852 4.170 -0.014 0.000 0.248 619 I C 2.276 178.269 176.117 -0.206 0.000 1.115 619 I CA 1.200 62.406 61.300 -0.155 0.000 1.392 619 I CB -0.310 37.595 38.000 -0.158 0.000 1.065 619 I HN 0.181 nan 8.210 nan 0.000 0.418 620 I N 0.609 121.021 120.570 -0.264 0.000 2.394 620 I HA -0.261 3.900 4.170 -0.014 0.000 0.251 620 I C 2.526 178.343 176.117 -0.500 0.000 1.136 620 I CA 1.051 62.090 61.300 -0.435 0.000 1.425 620 I CB -0.216 37.507 38.000 -0.463 0.000 1.079 620 I HN 0.149 nan 8.210 nan 0.000 0.425 621 K N 1.474 121.586 120.400 -0.480 0.000 2.155 621 K HA -0.083 4.229 4.320 -0.014 0.000 0.203 621 K C 1.954 178.401 176.600 -0.255 0.000 1.052 621 K CA 1.261 57.185 56.287 -0.605 0.000 0.948 621 K CB -0.418 31.384 32.500 -1.164 0.000 0.728 621 K HN 0.213 nan 8.250 nan 0.000 0.448 622 L N 0.327 121.440 121.223 -0.182 0.000 1.994 622 L HA -0.151 4.181 4.340 -0.014 0.000 0.208 622 L C 2.135 178.759 176.870 -0.409 0.000 1.071 622 L CA 1.671 56.231 54.840 -0.466 0.000 0.745 622 L CB -0.294 41.457 42.059 -0.514 0.000 0.892 622 L HN 0.201 nan 8.230 nan 0.000 0.431 623 I N -0.286 120.110 120.570 -0.290 0.000 2.208 623 I HA -0.325 3.837 4.170 -0.014 0.000 0.245 623 I C 2.579 178.596 176.117 -0.166 0.000 1.097 623 I CA 1.909 63.097 61.300 -0.188 0.000 1.363 623 I CB -0.663 37.323 38.000 -0.023 0.000 1.051 623 I HN 0.428 nan 8.210 nan 0.000 0.413 624 T N -0.978 113.447 114.554 -0.215 0.000 2.857 624 T HA 0.020 4.362 4.350 -0.014 0.000 0.266 624 T C 2.011 176.625 174.700 -0.142 0.000 1.048 624 T CA 0.779 62.783 62.100 -0.160 0.000 1.139 624 T CB -0.451 68.276 68.868 -0.236 0.000 0.874 624 T HN 0.333 nan 8.240 nan 0.000 0.455 625 A N 1.390 124.107 122.820 -0.171 0.000 1.972 625 A HA 0.152 4.464 4.320 -0.014 0.000 0.219 625 A C 2.312 179.816 177.584 -0.133 0.000 1.169 625 A CA 1.121 53.091 52.037 -0.112 0.000 0.635 625 A CB -0.789 18.190 19.000 -0.036 0.000 0.810 625 A HN 0.609 nan 8.150 nan 0.000 0.446 626 I N -0.575 119.838 120.570 -0.260 0.000 2.233 626 I HA -0.114 4.047 4.170 -0.014 0.000 0.243 626 I C 2.728 178.757 176.117 -0.147 0.000 1.093 626 I CA 0.962 62.102 61.300 -0.267 0.000 1.380 626 I CB -0.702 37.068 38.000 -0.384 0.000 1.067 626 I HN 0.356 nan 8.210 nan 0.000 0.413 627 G N 0.675 109.406 108.800 -0.115 0.000 2.469 627 G HA2 -0.285 3.667 3.960 -0.014 0.000 0.219 627 G HA3 -0.285 3.667 3.960 -0.014 0.000 0.219 627 G C 1.251 176.137 174.900 -0.024 0.000 1.150 627 G CA 1.145 46.202 45.100 -0.072 0.000 0.763 627 G HN 0.273 nan 8.290 nan 0.000 0.561 628 D N -0.046 120.352 120.400 -0.002 0.000 2.104 628 D HA -0.092 4.540 4.640 -0.014 0.000 0.194 628 D C 2.760 179.115 176.300 0.091 0.000 0.994 628 D CA 0.875 54.915 54.000 0.067 0.000 0.830 628 D CB -0.404 40.389 40.800 -0.012 0.000 0.959 628 D HN 0.224 nan 8.370 nan 0.000 0.452 629 V N 0.196 120.079 119.914 -0.052 0.000 2.231 629 V HA -0.174 3.938 4.120 -0.014 0.000 0.240 629 V C 2.644 178.638 176.094 -0.166 0.000 1.039 629 V CA 0.979 63.183 62.300 -0.160 0.000 0.998 629 V CB -0.575 31.047 31.823 -0.335 0.000 0.639 629 V HN 0.027 nan 8.190 nan 0.000 0.451 630 V N 1.128 120.865 119.914 -0.295 0.000 2.282 630 V HA -0.267 3.845 4.120 -0.014 0.000 0.249 630 V C 2.143 178.173 176.094 -0.107 0.000 1.057 630 V CA 2.296 64.422 62.300 -0.289 0.000 1.032 630 V CB -0.913 30.760 31.823 -0.250 0.000 0.645 630 V HN 0.607 nan 8.190 nan 0.000 0.447 631 N N -0.555 118.065 118.700 -0.133 0.000 2.550 631 N HA -0.084 4.648 4.740 -0.014 0.000 0.186 631 N C 1.005 176.264 175.510 -0.418 0.000 1.110 631 N CA 0.812 53.712 53.050 -0.251 0.000 0.912 631 N CB -0.254 38.040 38.487 -0.323 0.000 0.968 631 N HN 0.681 nan 8.380 nan 0.000 0.448 632 H N -1.157 117.902 119.070 -0.019 0.000 2.581 632 H HA 0.218 4.766 4.556 -0.014 0.000 0.275 632 H C -0.591 174.756 175.328 0.031 0.000 1.126 632 H CA -0.500 55.550 56.048 0.003 0.000 1.097 632 H CB 0.521 30.278 29.762 -0.009 0.000 1.626 632 H HN -0.020 nan 8.280 nan 0.000 0.565 633 D N 2.179 122.653 120.400 0.124 0.000 2.316 633 D HA 0.029 4.660 4.640 -0.014 0.000 0.245 633 D C -1.362 175.006 176.300 0.113 0.000 1.171 633 D CA -1.909 52.190 54.000 0.165 0.000 0.856 633 D CB 1.895 42.879 40.800 0.306 0.000 1.090 633 D HN 0.170 nan 8.370 nan 0.000 0.476 634 P HA -0.122 nan 4.420 nan 0.000 0.217 634 P C 1.610 178.943 177.300 0.054 0.000 1.151 634 P CA 0.398 63.536 63.100 0.064 0.000 0.828 634 P CB 0.597 32.331 31.700 0.057 0.000 0.788 635 V N 0.658 120.608 119.914 0.059 0.000 2.295 635 V HA -0.187 3.925 4.120 -0.014 0.000 0.246 635 V C 2.873 178.990 176.094 0.039 0.000 1.049 635 V CA 1.762 64.084 62.300 0.036 0.000 1.024 635 V CB -1.149 30.686 31.823 0.020 0.000 0.648 635 V HN -0.069 nan 8.190 nan 0.000 0.447 636 V N 0.297 120.255 119.914 0.074 0.000 2.594 636 V HA -0.079 4.032 4.120 -0.014 0.000 0.253 636 V C 2.230 178.347 176.094 0.037 0.000 1.069 636 V CA 1.828 64.170 62.300 0.069 0.000 1.082 636 V CB -1.411 30.500 31.823 0.146 0.000 0.680 636 V HN 0.744 nan 8.190 nan 0.000 0.469 637 G N 0.427 109.250 108.800 0.037 0.000 5.260 637 G HA2 -0.520 3.432 3.960 -0.014 0.000 0.276 637 G HA3 -0.520 3.432 3.960 -0.014 0.000 0.276 637 G C 0.734 175.645 174.900 0.018 0.000 1.357 637 G CA 1.576 46.691 45.100 0.026 0.000 1.008 637 G HN 0.693 nan 8.290 nan 0.000 0.777 638 D N -1.727 118.681 120.400 0.014 0.000 2.559 638 D HA 0.096 4.728 4.640 -0.014 0.000 0.431 638 D C 1.896 178.195 176.300 -0.002 0.000 1.221 638 D CA 0.643 54.651 54.000 0.014 0.000 1.007 638 D CB -0.231 40.590 40.800 0.035 0.000 1.539 638 D HN 0.390 nan 8.370 nan 0.000 0.407 639 R N -0.001 120.488 120.500 -0.019 0.000 2.189 639 R HA 0.179 4.511 4.340 -0.014 0.000 0.218 639 R C -0.013 176.252 176.300 -0.058 0.000 1.074 639 R CA 0.525 56.589 56.100 -0.061 0.000 0.991 639 R CB 0.264 30.504 30.300 -0.101 0.000 0.883 639 R HN 0.183 nan 8.270 nan 0.000 0.457 640 L N 0.658 121.863 121.223 -0.029 0.000 2.493 640 L HA 0.412 4.744 4.340 -0.014 0.000 0.265 640 L C -1.480 175.369 176.870 -0.034 0.000 0.954 640 L CA -0.577 54.245 54.840 -0.030 0.000 0.844 640 L CB 2.009 44.067 42.059 -0.001 0.000 1.302 640 L HN -0.139 nan 8.230 nan 0.000 0.405 641 R N 3.777 124.245 120.500 -0.054 0.000 2.604 641 R HA 0.728 5.059 4.340 -0.014 0.000 0.281 641 R C -1.711 174.540 176.300 -0.083 0.000 1.020 641 R CA -0.774 55.281 56.100 -0.075 0.000 0.899 641 R CB 2.282 32.532 30.300 -0.084 0.000 1.205 641 R HN 0.399 nan 8.270 nan 0.000 0.450 642 V N 4.731 124.593 119.914 -0.087 0.000 2.409 642 V HA 0.483 4.595 4.120 -0.014 0.000 0.291 642 V C -0.308 175.744 176.094 -0.071 0.000 1.020 642 V CA -0.673 61.579 62.300 -0.080 0.000 0.848 642 V CB 1.839 33.613 31.823 -0.082 0.000 0.990 642 V HN 0.494 nan 8.190 nan 0.000 0.430 643 I N 4.954 125.477 120.570 -0.077 0.000 2.545 643 I HA 0.429 4.590 4.170 -0.014 0.000 0.292 643 I C -0.797 175.273 176.117 -0.078 0.000 1.040 643 I CA -0.672 60.583 61.300 -0.074 0.000 1.068 643 I CB 1.861 39.786 38.000 -0.124 0.000 1.251 643 I HN 0.550 nan 8.210 nan 0.000 0.424 644 F N 7.023 126.908 119.950 -0.109 0.000 2.361 644 F HA 0.430 4.948 4.527 -0.014 0.000 0.364 644 F C -0.439 175.295 175.800 -0.109 0.000 1.117 644 F CA -0.766 57.171 58.000 -0.105 0.000 1.071 644 F CB 0.826 39.764 39.000 -0.105 0.000 1.188 644 F HN 0.142 nan 8.300 nan 0.000 0.464 645 L N 5.794 126.550 121.223 -0.779 0.000 2.433 645 L HA 0.137 4.469 4.340 -0.014 0.000 0.284 645 L C 0.439 177.047 176.870 -0.438 0.000 1.120 645 L CA 0.117 54.678 54.840 -0.465 0.000 0.879 645 L CB -0.206 41.693 42.059 -0.266 0.000 1.232 645 L HN 0.609 nan 8.230 nan 0.000 0.454 646 E N 3.477 123.532 120.200 -0.241 0.000 2.384 646 E HA -0.067 4.275 4.350 -0.014 0.000 0.266 646 E C 0.456 177.069 176.600 0.022 0.000 1.012 646 E CA -0.166 56.232 56.400 -0.004 0.000 0.901 646 E CB 0.243 29.898 29.700 -0.075 0.000 0.967 646 E HN 0.529 nan 8.360 nan 0.000 0.435 647 N N 2.899 121.691 118.700 0.154 0.000 2.671 647 N HA -0.287 4.445 4.740 -0.014 0.000 0.261 647 N C -1.675 173.925 175.510 0.151 0.000 1.053 647 N CA 0.569 53.713 53.050 0.157 0.000 0.732 647 N CB -1.339 37.246 38.487 0.163 0.000 0.887 647 N HN 0.484 nan 8.380 nan 0.000 0.546 648 Y N 1.849 122.159 120.300 0.017 0.000 2.526 648 Y HA 0.269 4.810 4.550 -0.014 0.000 0.330 648 Y C 1.073 176.991 175.900 0.031 0.000 1.156 648 Y CA 0.299 58.398 58.100 -0.001 0.000 1.419 648 Y CB 0.379 38.812 38.460 -0.046 0.000 1.250 648 Y HN 0.405 nan 8.280 nan 0.000 0.540 649 R N 2.728 122.915 120.500 -0.522 0.000 2.781 649 R HA 0.478 4.810 4.340 -0.014 0.000 0.268 649 R C -0.440 175.492 176.300 -0.612 0.000 1.047 649 R CA -0.688 55.171 56.100 -0.401 0.000 0.925 649 R CB 0.482 30.728 30.300 -0.089 0.000 1.246 649 R HN 0.405 nan 8.270 nan 0.000 0.456 650 V N 1.119 120.675 119.914 -0.596 0.000 2.252 650 V HA -0.303 3.808 4.120 -0.014 0.000 0.249 650 V C 2.519 178.446 176.094 -0.279 0.000 1.056 650 V CA 2.948 64.969 62.300 -0.465 0.000 1.022 650 V CB -0.767 30.760 31.823 -0.493 0.000 0.641 650 V HN 0.944 nan 8.190 nan 0.000 0.445 651 S N -0.185 115.386 115.700 -0.216 0.000 2.423 651 S HA -0.144 4.318 4.470 -0.014 0.000 0.231 651 S C 1.860 176.391 174.600 -0.115 0.000 1.014 651 S CA 1.497 59.602 58.200 -0.159 0.000 0.965 651 S CB -0.447 62.690 63.200 -0.106 0.000 0.785 651 S HN 0.400 nan 8.310 nan 0.000 0.495 652 L N 1.793 122.962 121.223 -0.090 0.000 2.179 652 L HA 0.376 4.707 4.340 -0.014 0.000 0.208 652 L C 2.557 179.411 176.870 -0.028 0.000 1.096 652 L CA 1.212 56.056 54.840 0.006 0.000 0.779 652 L CB -1.216 40.915 42.059 0.120 0.000 0.922 652 L HN 0.323 nan 8.230 nan 0.000 0.443 653 A N -0.622 122.146 122.820 -0.087 0.000 1.933 653 A HA -0.208 4.103 4.320 -0.014 0.000 0.218 653 A C 2.088 179.703 177.584 0.050 0.000 1.175 653 A CA 1.692 53.755 52.037 0.043 0.000 0.628 653 A CB -0.581 18.461 19.000 0.071 0.000 0.814 653 A HN 0.588 nan 8.150 nan 0.000 0.444 654 E N -0.911 119.293 120.200 0.007 0.000 2.472 654 E HA -0.133 4.208 4.350 -0.014 0.000 0.200 654 E C 1.657 178.183 176.600 -0.124 0.000 1.046 654 E CA 0.957 57.319 56.400 -0.063 0.000 0.871 654 E CB 0.025 29.600 29.700 -0.209 0.000 0.806 654 E HN 0.542 nan 8.360 nan 0.000 0.533 655 K N -0.357 119.939 120.400 -0.174 0.000 2.225 655 K HA -0.034 4.278 4.320 -0.014 0.000 0.204 655 K C 2.028 178.317 176.600 -0.519 0.000 1.047 655 K CA 0.632 56.772 56.287 -0.245 0.000 0.970 655 K CB 0.225 32.601 32.500 -0.207 0.000 0.939 655 K HN -0.012 nan 8.250 nan 0.000 0.472 656 V N 0.142 119.629 119.914 -0.712 0.000 2.295 656 V HA -0.196 3.915 4.120 -0.014 0.000 0.246 656 V C 2.052 177.869 176.094 -0.462 0.000 1.049 656 V CA 1.568 63.312 62.300 -0.928 0.000 1.024 656 V CB -0.792 30.720 31.823 -0.519 0.000 0.648 656 V HN 0.178 nan 8.190 nan 0.000 0.447 657 I N 0.818 121.148 120.570 -0.400 0.000 2.226 657 I HA -0.113 4.049 4.170 -0.014 0.000 0.245 657 I C -0.032 175.945 176.117 -0.234 0.000 1.100 657 I CA 1.681 62.663 61.300 -0.530 0.000 1.374 657 I CB -1.625 35.945 38.000 -0.718 0.000 1.057 657 I HN 0.370 nan 8.210 nan 0.000 0.413 658 P HA -0.110 nan 4.420 nan 0.000 0.225 658 P C 0.791 178.091 177.300 0.000 0.000 1.148 658 P CA 1.103 64.174 63.100 -0.049 0.000 0.779 658 P CB 0.046 31.722 31.700 -0.040 0.000 0.780 659 A N -1.531 121.290 122.820 0.001 0.000 2.387 659 A HA 0.570 4.882 4.320 -0.014 0.000 0.234 659 A C 0.982 178.718 177.584 0.254 0.000 1.253 659 A CA -0.007 52.108 52.037 0.130 0.000 0.894 659 A CB -0.395 18.753 19.000 0.246 0.000 0.963 659 A HN 0.189 nan 8.150 nan 0.000 0.508 660 A N -0.523 122.435 122.820 0.230 0.000 2.312 660 A HA 0.586 4.897 4.320 -0.014 0.000 0.328 660 A C 0.145 177.899 177.584 0.283 0.000 1.158 660 A CA -0.399 51.832 52.037 0.324 0.000 0.821 660 A CB 0.708 19.972 19.000 0.441 0.000 1.170 660 A HN 0.180 nan 8.150 nan 0.000 0.490 661 D N 0.479 121.056 120.400 0.295 0.000 2.431 661 D HA 0.151 4.783 4.640 -0.014 0.000 0.235 661 D C -0.013 176.541 176.300 0.424 0.000 0.980 661 D CA 0.834 55.096 54.000 0.436 0.000 0.912 661 D CB 0.345 41.342 40.800 0.328 0.000 1.056 661 D HN 0.365 nan 8.370 nan 0.000 0.494 662 L N 0.862 122.205 121.223 0.201 0.000 2.362 662 L HA 0.278 4.610 4.340 -0.014 0.000 0.275 662 L C -0.605 176.155 176.870 -0.183 0.000 0.998 662 L CA -0.422 54.451 54.840 0.054 0.000 0.820 662 L CB 2.290 44.347 42.059 -0.003 0.000 1.270 662 L HN -0.181 nan 8.230 nan 0.000 0.415 663 S N 3.905 119.376 115.700 -0.381 0.000 2.420 663 S HA 0.277 4.738 4.470 -0.014 0.000 0.313 663 S C -0.337 173.974 174.600 -0.482 0.000 1.079 663 S CA -0.708 56.999 58.200 -0.821 0.000 1.104 663 S CB 0.498 63.110 63.200 -0.980 0.000 0.969 663 S HN 0.505 nan 8.310 nan 0.000 0.471 664 E N 4.019 123.998 120.200 -0.368 0.000 2.129 664 E HA 0.166 4.508 4.350 -0.014 0.000 0.283 664 E C -0.431 176.083 176.600 -0.143 0.000 1.080 664 E CA -0.201 56.096 56.400 -0.171 0.000 0.867 664 E CB 0.837 30.468 29.700 -0.116 0.000 1.056 664 E HN 0.623 nan 8.360 nan 0.000 0.404 665 Q N 3.249 123.013 119.800 -0.059 0.000 3.064 665 Q HA 0.277 4.608 4.340 -0.014 0.000 0.258 665 Q C -0.002 175.999 176.000 0.001 0.000 0.972 665 Q CA -0.282 55.488 55.803 -0.054 0.000 0.761 665 Q CB 0.606 29.316 28.738 -0.048 0.000 1.281 665 Q HN 0.454 nan 8.270 nan 0.000 0.455 666 I N 1.045 121.602 120.570 -0.023 0.000 3.816 666 I HA -0.001 4.160 4.170 -0.014 0.000 0.334 666 I C 0.148 176.224 176.117 -0.068 0.000 1.551 666 I CA 0.178 61.475 61.300 -0.006 0.000 1.153 666 I CB 0.527 38.509 38.000 -0.029 0.000 1.197 666 I HN 0.131 nan 8.210 nan 0.000 0.439 667 S N -0.692 114.966 115.700 -0.069 0.000 2.562 667 S HA 0.174 4.635 4.470 -0.014 0.000 0.281 667 S C 0.595 175.187 174.600 -0.013 0.000 1.333 667 S CA -0.590 57.586 58.200 -0.041 0.000 1.052 667 S CB 0.032 63.247 63.200 0.025 0.000 0.884 667 S HN 0.313 nan 8.310 nan 0.000 0.506 668 T N 3.033 117.609 114.554 0.037 0.000 2.849 668 T HA 0.259 4.601 4.350 -0.014 0.000 0.289 668 T C 0.801 175.523 174.700 0.037 0.000 1.010 668 T CA 0.317 62.451 62.100 0.057 0.000 1.161 668 T CB -0.171 68.811 68.868 0.189 0.000 0.989 668 T HN 0.965 nan 8.240 nan 0.000 0.523 669 A N 2.946 125.757 122.820 -0.014 0.000 2.566 669 A HA 0.458 4.770 4.320 -0.014 0.000 0.245 669 A C 1.643 179.234 177.584 0.011 0.000 1.056 669 A CA 0.291 52.316 52.037 -0.021 0.000 0.757 669 A CB -0.834 18.137 19.000 -0.048 0.000 0.979 669 A HN 1.660 nan 8.150 nan 0.000 0.508 670 G N 1.363 110.171 108.800 0.013 0.000 2.218 670 G HA2 -0.244 3.708 3.960 -0.014 0.000 0.216 670 G HA3 -0.244 3.708 3.960 -0.014 0.000 0.216 670 G C 1.036 175.947 174.900 0.019 0.000 0.994 670 G CA 0.962 46.073 45.100 0.018 0.000 0.637 670 G HN 1.897 nan 8.290 nan 0.000 0.505 671 T N -1.658 112.912 114.554 0.026 0.000 3.021 671 T HA 0.346 4.688 4.350 -0.014 0.000 0.245 671 T C 0.877 175.508 174.700 -0.115 0.000 1.028 671 T CA 1.261 63.330 62.100 -0.053 0.000 1.139 671 T CB 0.330 69.216 68.868 0.030 0.000 0.884 671 T HN 0.282 nan 8.240 nan 0.000 0.457 672 E N 1.481 121.720 120.200 0.065 0.000 2.070 672 E HA 0.604 4.945 4.350 -0.014 0.000 0.282 672 E C 1.123 177.706 176.600 -0.028 0.000 1.104 672 E CA 0.165 56.632 56.400 0.112 0.000 0.876 672 E CB 0.760 30.547 29.700 0.144 0.000 1.055 672 E HN 0.388 nan 8.360 nan 0.000 0.401 673 A N 3.414 126.149 122.820 -0.142 0.000 1.917 673 A HA -0.197 4.114 4.320 -0.014 0.000 0.219 673 A C 1.980 179.488 177.584 -0.126 0.000 1.182 673 A CA 2.163 54.017 52.037 -0.305 0.000 0.633 673 A CB -0.179 18.410 19.000 -0.684 0.000 0.819 673 A HN 0.603 nan 8.150 nan 0.000 0.448 674 S N -3.990 111.673 115.700 -0.061 0.000 3.916 674 S HA 0.448 4.910 4.470 -0.014 0.000 0.231 674 S C 0.702 175.292 174.600 -0.018 0.000 1.161 674 S CA 1.412 59.605 58.200 -0.011 0.000 0.938 674 S CB -0.162 63.051 63.200 0.023 0.000 1.170 674 S HN 2.246 nan 8.310 nan 0.000 0.508 675 G N 0.303 109.098 108.800 -0.008 0.000 2.716 675 G HA2 -0.049 3.903 3.960 -0.014 0.000 0.686 675 G HA3 -0.049 3.903 3.960 -0.014 0.000 0.686 675 G C 0.245 175.122 174.900 -0.039 0.000 1.337 675 G CA 0.460 45.545 45.100 -0.024 0.000 0.829 675 G HN 1.342 nan 8.290 nan 0.000 0.599 676 T N -2.262 112.253 114.554 -0.064 0.000 3.100 676 T HA 0.385 4.726 4.350 -0.014 0.000 0.255 676 T C 2.379 176.975 174.700 -0.172 0.000 0.893 676 T CA 1.314 63.351 62.100 -0.105 0.000 0.882 676 T CB 0.087 68.896 68.868 -0.098 0.000 1.266 676 T HN 1.943 nan 8.240 nan 0.000 0.528 677 G N 3.386 112.108 108.800 -0.130 0.000 2.491 677 G HA2 -0.330 3.622 3.960 -0.014 0.000 0.218 677 G HA3 -0.330 3.622 3.960 -0.014 0.000 0.218 677 G C 1.442 176.382 174.900 0.066 0.000 1.180 677 G CA 1.407 46.456 45.100 -0.085 0.000 0.774 677 G HN 0.848 nan 8.290 nan 0.000 0.562 678 N N 0.127 118.846 118.700 0.032 0.000 2.096 678 N HA -0.233 4.499 4.740 -0.014 0.000 0.195 678 N C 2.198 177.695 175.510 -0.021 0.000 1.017 678 N CA 1.805 54.859 53.050 0.007 0.000 0.870 678 N CB -0.375 38.074 38.487 -0.064 0.000 1.024 678 N HN 0.418 nan 8.380 nan 0.000 0.434 679 M N 0.279 119.810 119.600 -0.114 0.000 2.288 679 M HA 0.033 4.504 4.480 -0.014 0.000 0.266 679 M C 1.889 178.151 176.300 -0.064 0.000 1.072 679 M CA 1.177 56.396 55.300 -0.135 0.000 1.132 679 M CB 0.026 32.553 32.600 -0.123 0.000 1.386 679 M HN 0.127 nan 8.290 nan 0.000 0.432 680 K N 0.025 120.331 120.400 -0.157 0.000 2.148 680 K HA -0.052 4.260 4.320 -0.014 0.000 0.204 680 K C 1.627 178.158 176.600 -0.114 0.000 1.050 680 K CA 1.202 57.336 56.287 -0.255 0.000 0.942 680 K CB -0.137 31.964 32.500 -0.665 0.000 0.724 680 K HN 0.175 nan 8.250 nan 0.000 0.446 681 F N 1.042 120.910 119.950 -0.137 0.000 2.206 681 F HA -0.027 4.491 4.527 -0.015 0.000 0.298 681 F C 2.500 178.256 175.800 -0.073 0.000 1.090 681 F CA 0.965 58.909 58.000 -0.094 0.000 1.323 681 F CB -0.189 38.746 39.000 -0.107 0.000 1.028 681 F HN -0.053 nan 8.300 nan 0.000 0.492 682 M N -0.281 119.395 119.600 0.127 0.000 2.159 682 M HA -0.214 4.257 4.480 -0.014 0.000 0.263 682 M C 2.070 178.420 176.300 0.083 0.000 1.063 682 M CA 1.628 56.970 55.300 0.070 0.000 1.110 682 M CB -0.316 32.330 32.600 0.077 0.000 1.374 682 M HN 0.213 nan 8.290 nan 0.000 0.411 683 L N -0.026 121.252 121.223 0.092 0.000 2.265 683 L HA -0.189 4.142 4.340 -0.014 0.000 0.215 683 L C 1.196 178.109 176.870 0.073 0.000 1.117 683 L CA 0.848 55.745 54.840 0.095 0.000 0.782 683 L CB -0.380 41.746 42.059 0.111 0.000 0.914 683 L HN 0.408 nan 8.230 nan 0.000 0.441 684 N N -0.353 118.383 118.700 0.060 0.000 2.204 684 N HA 0.100 4.831 4.740 -0.014 0.000 0.219 684 N C 0.651 176.188 175.510 0.045 0.000 1.151 684 N CA 0.800 53.877 53.050 0.045 0.000 0.867 684 N CB 1.091 39.591 38.487 0.021 0.000 1.043 684 N HN 0.275 nan 8.380 nan 0.000 0.516 685 G N 0.992 109.815 108.800 0.037 0.000 2.291 685 G HA2 -0.124 3.828 3.960 -0.014 0.000 0.271 685 G HA3 -0.124 3.828 3.960 -0.014 0.000 0.271 685 G C -0.256 174.674 174.900 0.050 0.000 1.099 685 G CA 0.167 45.277 45.100 0.016 0.000 0.919 685 G HN 0.501 nan 8.290 nan 0.000 0.496 686 A N 0.253 123.099 122.820 0.044 0.000 2.401 686 A HA 0.901 5.212 4.320 -0.014 0.000 0.310 686 A C -0.365 177.133 177.584 -0.142 0.000 1.075 686 A CA -0.815 51.251 52.037 0.049 0.000 0.746 686 A CB 1.568 20.683 19.000 0.192 0.000 1.277 686 A HN 0.710 nan 8.150 nan 0.000 0.425 687 L N 0.905 121.963 121.223 -0.276 0.000 2.360 687 L HA 0.590 4.921 4.340 -0.014 0.000 0.271 687 L C 0.577 177.254 176.870 -0.321 0.000 1.057 687 L CA 0.087 54.680 54.840 -0.411 0.000 0.803 687 L CB 1.318 43.065 42.059 -0.520 0.000 1.207 687 L HN 0.745 nan 8.230 nan 0.000 0.445 688 T N 3.431 117.663 114.554 -0.537 0.000 2.767 688 T HA 0.478 4.820 4.350 -0.014 0.000 0.288 688 T C 0.085 174.696 174.700 -0.148 0.000 0.963 688 T CA -0.150 61.688 62.100 -0.436 0.000 1.019 688 T CB 0.899 69.366 68.868 -0.668 0.000 0.923 688 T HN 0.438 nan 8.240 nan 0.000 0.468 689 I N 3.047 123.630 120.570 0.022 0.000 2.312 689 I HA 0.698 4.860 4.170 -0.014 0.000 0.290 689 I C 0.048 176.354 176.117 0.314 0.000 1.008 689 I CA 0.001 61.429 61.300 0.215 0.000 1.226 689 I CB 0.121 38.148 38.000 0.044 0.000 1.371 689 I HN 0.753 nan 8.210 nan 0.000 0.468 690 G N 4.189 113.251 108.800 0.437 0.000 2.673 690 G HA2 0.440 4.392 3.960 -0.014 0.000 0.292 690 G HA3 0.440 4.392 3.960 -0.014 0.000 0.292 690 G C -0.763 174.138 174.900 0.002 0.000 1.450 690 G CA -0.445 44.816 45.100 0.269 0.000 0.837 690 G HN 0.632 nan 8.290 nan 0.000 0.505 691 T N -1.013 113.400 114.554 -0.235 0.000 2.788 691 T HA 0.415 4.757 4.350 -0.014 0.000 0.287 691 T C 0.852 175.446 174.700 -0.176 0.000 1.007 691 T CA -0.544 61.319 62.100 -0.394 0.000 1.005 691 T CB 0.813 69.466 68.868 -0.358 0.000 1.012 691 T HN 0.235 nan 8.240 nan 0.000 0.530 692 M N 2.632 122.137 119.600 -0.158 0.000 3.596 692 M HA 0.325 4.796 4.480 -0.014 0.000 0.219 692 M C -0.364 175.888 176.300 -0.081 0.000 1.471 692 M CA -0.302 54.935 55.300 -0.105 0.000 1.644 692 M CB -1.919 30.627 32.600 -0.091 0.000 1.083 692 M HN 0.687 nan 8.290 nan 0.000 0.579 693 D N -0.312 120.046 120.400 -0.070 0.000 2.619 693 D HA 0.669 5.301 4.640 -0.014 0.000 0.241 693 D C 0.750 177.031 176.300 -0.032 0.000 1.087 693 D CA 0.762 54.737 54.000 -0.042 0.000 0.851 693 D CB 1.747 42.528 40.800 -0.032 0.000 1.474 693 D HN 0.589 nan 8.370 nan 0.000 0.478 694 G N 2.180 110.973 108.800 -0.013 0.000 2.611 694 G HA2 -0.244 3.708 3.960 -0.014 0.000 0.301 694 G HA3 -0.244 3.708 3.960 -0.014 0.000 0.301 694 G C 0.910 175.800 174.900 -0.018 0.000 1.233 694 G CA 0.936 46.031 45.100 -0.008 0.000 0.993 694 G HN 1.038 nan 8.290 nan 0.000 0.553 695 A N -0.113 122.685 122.820 -0.038 0.000 2.251 695 A HA 0.231 4.543 4.320 -0.014 0.000 0.209 695 A C 2.001 179.499 177.584 -0.143 0.000 1.187 695 A CA 1.534 53.534 52.037 -0.061 0.000 0.823 695 A CB -0.343 18.604 19.000 -0.088 0.000 0.846 695 A HN 0.567 nan 8.150 nan 0.000 0.486 696 N N 0.461 119.090 118.700 -0.118 0.000 2.205 696 N HA -0.134 4.598 4.740 -0.014 0.000 0.186 696 N C 1.587 176.951 175.510 -0.243 0.000 1.015 696 N CA 1.468 54.437 53.050 -0.134 0.000 0.862 696 N CB -0.433 38.030 38.487 -0.040 0.000 0.986 696 N HN 0.284 nan 8.380 nan 0.000 0.429 697 V N 1.257 121.077 119.914 -0.156 0.000 2.343 697 V HA -0.191 3.921 4.120 -0.014 0.000 0.247 697 V C 1.806 177.808 176.094 -0.153 0.000 1.051 697 V CA 1.650 63.860 62.300 -0.149 0.000 1.036 697 V CB -0.375 31.401 31.823 -0.079 0.000 0.654 697 V HN 0.357 nan 8.190 nan 0.000 0.451 698 E N -1.044 119.112 120.200 -0.073 0.000 2.385 698 E HA 0.034 4.376 4.350 -0.014 0.000 0.194 698 E C 2.123 178.811 176.600 0.146 0.000 1.013 698 E CA 0.398 56.835 56.400 0.063 0.000 0.866 698 E CB 0.028 29.854 29.700 0.210 0.000 0.832 698 E HN 0.553 nan 8.360 nan 0.000 0.500 699 M N 0.402 119.944 119.600 -0.097 0.000 2.134 699 M HA -0.026 4.446 4.480 -0.014 0.000 0.262 699 M C 2.520 178.499 176.300 -0.535 0.000 1.076 699 M CA 1.241 56.427 55.300 -0.189 0.000 1.143 699 M CB -0.119 32.287 32.600 -0.323 0.000 1.346 699 M HN 0.130 nan 8.290 nan 0.000 0.421 700 A N 0.300 122.426 122.820 -1.156 0.000 1.883 700 A HA -0.244 4.067 4.320 -0.014 0.000 0.217 700 A C 1.979 179.332 177.584 -0.385 0.000 1.186 700 A CA 2.128 53.501 52.037 -1.107 0.000 0.624 700 A CB -0.956 17.539 19.000 -0.842 0.000 0.822 700 A HN 0.585 nan 8.150 nan 0.000 0.444 701 E N -0.826 119.222 120.200 -0.254 0.000 2.160 701 E HA -0.260 4.081 4.350 -0.014 0.000 0.195 701 E C 1.837 178.400 176.600 -0.062 0.000 0.991 701 E CA 1.481 57.810 56.400 -0.118 0.000 0.810 701 E CB -0.049 29.602 29.700 -0.081 0.000 0.742 701 E HN 0.558 nan 8.360 nan 0.000 0.466 702 E N -0.372 119.814 120.200 -0.024 0.000 2.158 702 E HA 0.032 4.373 4.350 -0.014 0.000 0.191 702 E C 1.221 177.842 176.600 0.036 0.000 0.982 702 E CA 1.126 57.544 56.400 0.030 0.000 0.823 702 E CB 0.146 29.924 29.700 0.131 0.000 0.766 702 E HN 0.303 nan 8.360 nan 0.000 0.468 703 A N -0.609 122.237 122.820 0.043 0.000 2.390 703 A HA 0.545 4.856 4.320 -0.014 0.000 0.232 703 A C 0.813 178.418 177.584 0.036 0.000 1.233 703 A CA 0.514 52.593 52.037 0.071 0.000 0.907 703 A CB -0.116 18.987 19.000 0.172 0.000 0.967 703 A HN 0.230 nan 8.150 nan 0.000 0.512 704 G N 0.057 108.851 108.800 -0.009 0.000 2.764 704 G HA2 -0.143 3.808 3.960 -0.014 0.000 0.686 704 G HA3 -0.143 3.808 3.960 -0.014 0.000 0.686 704 G C 0.176 175.069 174.900 -0.012 0.000 1.258 704 G CA -0.053 45.034 45.100 -0.022 0.000 0.846 704 G HN 0.213 nan 8.290 nan 0.000 0.596 705 E N 1.110 121.289 120.200 -0.035 0.000 2.118 705 E HA -0.200 4.141 4.350 -0.014 0.000 0.195 705 E C 2.353 178.954 176.600 0.002 0.000 0.992 705 E CA 1.595 57.984 56.400 -0.018 0.000 0.804 705 E CB -0.038 29.650 29.700 -0.019 0.000 0.741 705 E HN 0.909 nan 8.360 nan 0.000 0.458 706 E N 1.125 121.314 120.200 -0.019 0.000 2.333 706 E HA -0.157 4.184 4.350 -0.014 0.000 0.198 706 E C 0.967 177.494 176.600 -0.122 0.000 1.007 706 E CA 0.775 57.147 56.400 -0.047 0.000 0.845 706 E CB -0.227 29.458 29.700 -0.025 0.000 0.766 706 E HN 0.166 nan 8.360 nan 0.000 0.507 707 N N -0.421 118.224 118.700 -0.092 0.000 2.230 707 N HA 0.143 4.875 4.740 -0.014 0.000 0.202 707 N C -0.799 174.562 175.510 -0.249 0.000 1.119 707 N CA 0.061 53.010 53.050 -0.167 0.000 0.851 707 N CB 0.222 38.679 38.487 -0.050 0.000 0.990 707 N HN 0.037 nan 8.380 nan 0.000 0.497 708 F N -0.573 119.115 119.950 -0.436 0.000 2.594 708 F HA 0.439 4.957 4.527 -0.015 0.000 0.335 708 F C -0.366 175.092 175.800 -0.570 0.000 1.058 708 F CA -1.105 56.644 58.000 -0.419 0.000 0.981 708 F CB 1.093 39.985 39.000 -0.180 0.000 1.289 708 F HN -0.235 nan 8.300 nan 0.000 0.490 709 F N 3.145 123.131 119.950 0.059 0.000 2.471 709 F HA 0.367 4.886 4.527 -0.014 0.000 0.318 709 F C -0.242 175.731 175.800 0.288 0.000 1.308 709 F CA -0.577 57.496 58.000 0.122 0.000 1.162 709 F CB 0.034 39.044 39.000 0.017 0.000 1.383 709 F HN 0.017 nan 8.300 nan 0.000 0.552 710 I N 2.805 123.612 120.570 0.397 0.000 2.696 710 I HA 0.376 4.538 4.170 -0.014 0.000 0.284 710 I C -0.127 176.173 176.117 0.306 0.000 1.129 710 I CA -0.177 61.303 61.300 0.299 0.000 1.410 710 I CB 0.208 38.303 38.000 0.159 0.000 1.399 710 I HN 0.326 nan 8.210 nan 0.000 0.579 711 F N 3.736 123.757 119.950 0.119 0.000 2.926 711 F HA 0.779 5.298 4.527 -0.015 0.000 0.321 711 F C -0.154 175.696 175.800 0.083 0.000 1.168 711 F CA -0.454 57.608 58.000 0.104 0.000 0.890 711 F CB 0.242 39.316 39.000 0.123 0.000 1.357 711 F HN 0.961 nan 8.300 nan 0.000 0.468 712 G N 0.788 109.521 108.800 -0.113 0.000 2.725 712 G HA2 -0.055 3.896 3.960 -0.014 0.000 0.220 712 G HA3 -0.055 3.896 3.960 -0.014 0.000 0.220 712 G C -0.784 174.069 174.900 -0.079 0.000 1.357 712 G CA -0.522 44.514 45.100 -0.107 0.000 0.866 712 G HN 0.978 nan 8.290 nan 0.000 0.548 713 M N 0.033 119.604 119.600 -0.049 0.000 2.250 713 M HA 0.395 4.867 4.480 -0.014 0.000 0.325 713 M C 1.058 177.322 176.300 -0.061 0.000 1.084 713 M CA 0.330 55.617 55.300 -0.022 0.000 1.161 713 M CB 0.554 33.151 32.600 -0.006 0.000 1.481 713 M HN 0.593 nan 8.290 nan 0.000 0.449 714 R N 0.374 120.854 120.500 -0.033 0.000 2.705 714 R HA 0.369 4.701 4.340 -0.014 0.000 0.246 714 R C 0.957 177.242 176.300 -0.025 0.000 1.142 714 R CA -0.487 55.590 56.100 -0.039 0.000 1.114 714 R CB 0.536 30.821 30.300 -0.026 0.000 1.256 714 R HN 0.546 nan 8.270 nan 0.000 0.536 715 V N 0.589 120.489 119.914 -0.023 0.000 2.427 715 V HA -0.181 3.930 4.120 -0.014 0.000 0.248 715 V C 2.070 178.160 176.094 -0.006 0.000 1.051 715 V CA 1.844 64.136 62.300 -0.014 0.000 1.048 715 V CB -0.557 31.257 31.823 -0.015 0.000 0.666 715 V HN 0.736 nan 8.190 nan 0.000 0.456 716 E N 0.503 120.700 120.200 -0.004 0.000 2.118 716 E HA -0.296 4.046 4.350 -0.014 0.000 0.195 716 E C 1.733 178.341 176.600 0.014 0.000 0.992 716 E CA 1.811 58.213 56.400 0.003 0.000 0.804 716 E CB -0.054 29.648 29.700 0.004 0.000 0.741 716 E HN 0.645 nan 8.360 nan 0.000 0.458 717 D N -0.369 120.041 120.400 0.016 0.000 2.183 717 D HA -0.095 4.537 4.640 -0.014 0.000 0.203 717 D C 1.964 178.283 176.300 0.031 0.000 0.969 717 D CA 0.526 54.545 54.000 0.031 0.000 0.842 717 D CB 0.006 40.825 40.800 0.033 0.000 0.957 717 D HN 0.086 nan 8.370 nan 0.000 0.484 718 V N 1.378 121.299 119.914 0.012 0.000 2.453 718 V HA -0.161 3.950 4.120 -0.014 0.000 0.247 718 V C 1.702 177.803 176.094 0.012 0.000 1.048 718 V CA 1.484 63.785 62.300 0.002 0.000 1.049 718 V CB -0.316 31.500 31.823 -0.012 0.000 0.672 718 V HN 0.075 nan 8.190 nan 0.000 0.457 719 D N 0.059 120.466 120.400 0.013 0.000 2.097 719 D HA -0.161 4.470 4.640 -0.014 0.000 0.195 719 D C 2.297 178.614 176.300 0.030 0.000 0.989 719 D CA 1.206 55.216 54.000 0.016 0.000 0.827 719 D CB -0.283 40.523 40.800 0.009 0.000 0.966 719 D HN 0.274 nan 8.370 nan 0.000 0.456 720 R N -0.089 120.432 120.500 0.035 0.000 2.096 720 R HA -0.146 4.185 4.340 -0.014 0.000 0.240 720 R C 2.216 178.555 176.300 0.066 0.000 1.139 720 R CA 0.817 56.944 56.100 0.045 0.000 0.952 720 R CB -0.390 29.938 30.300 0.047 0.000 0.854 720 R HN 0.100 nan 8.270 nan 0.000 0.436 721 L N 1.043 122.315 121.223 0.081 0.000 2.093 721 L HA -0.155 4.177 4.340 -0.014 0.000 0.208 721 L C 1.321 178.268 176.870 0.128 0.000 1.085 721 L CA 1.906 56.822 54.840 0.127 0.000 0.755 721 L CB -0.462 41.688 42.059 0.151 0.000 0.904 721 L HN 0.138 nan 8.230 nan 0.000 0.435 722 D N -1.062 119.388 120.400 0.083 0.000 2.183 722 D HA -0.164 4.468 4.640 -0.014 0.000 0.203 722 D C 2.126 178.465 176.300 0.065 0.000 0.969 722 D CA 0.983 55.027 54.000 0.073 0.000 0.842 722 D CB 0.165 40.985 40.800 0.033 0.000 0.957 722 D HN 0.488 nan 8.370 nan 0.000 0.484 723 Q N 0.200 120.032 119.800 0.053 0.000 2.083 723 Q HA -0.106 4.225 4.340 -0.014 0.000 0.198 723 Q C 2.224 178.254 176.000 0.051 0.000 0.969 723 Q CA 1.179 57.009 55.803 0.044 0.000 0.838 723 Q CB -0.024 28.735 28.738 0.036 0.000 0.900 723 Q HN 0.303 nan 8.270 nan 0.000 0.436 724 R N -0.296 120.241 120.500 0.063 0.000 2.148 724 R HA 0.111 4.442 4.340 -0.014 0.000 0.223 724 R C 0.097 176.438 176.300 0.068 0.000 1.088 724 R CA 0.998 57.134 56.100 0.060 0.000 0.985 724 R CB 0.054 30.393 30.300 0.064 0.000 0.880 724 R HN 0.092 nan 8.270 nan 0.000 0.451 725 G N 0.464 109.321 108.800 0.094 0.000 3.363 725 G HA2 -0.173 3.778 3.960 -0.014 0.000 0.685 725 G HA3 -0.173 3.778 3.960 -0.014 0.000 0.685 725 G C -1.630 173.357 174.900 0.144 0.000 1.199 725 G CA -0.399 44.761 45.100 0.101 0.000 0.946 725 G HN 0.305 nan 8.290 nan 0.000 0.558 726 Y N 3.118 123.455 120.300 0.062 0.000 2.365 726 Y HA 0.666 5.208 4.550 -0.014 0.000 0.340 726 Y C 0.038 176.001 175.900 0.105 0.000 1.016 726 Y CA -1.439 56.718 58.100 0.094 0.000 1.196 726 Y CB 1.458 39.952 38.460 0.055 0.000 1.167 726 Y HN 0.736 nan 8.280 nan 0.000 0.509 727 N N 4.467 122.851 118.700 -0.527 0.000 2.540 727 N HA 0.404 5.136 4.740 -0.014 0.000 0.275 727 N C -0.121 175.148 175.510 -0.403 0.000 1.053 727 N CA 0.092 52.891 53.050 -0.418 0.000 0.876 727 N CB 1.490 39.894 38.487 -0.137 0.000 1.284 727 N HN 0.702 nan 8.380 nan 0.000 0.518 728 A N 2.617 125.147 122.820 -0.483 0.000 2.067 728 A HA -0.153 4.159 4.320 -0.014 0.000 0.219 728 A C 1.820 179.568 177.584 0.274 0.000 1.158 728 A CA 1.324 53.358 52.037 -0.005 0.000 0.661 728 A CB -0.446 18.521 19.000 -0.056 0.000 0.801 728 A HN 0.721 nan 8.150 nan 0.000 0.452 729 Q N 0.400 120.252 119.800 0.087 0.000 2.135 729 Q HA -0.209 4.122 4.340 -0.014 0.000 0.204 729 Q C 1.864 177.971 176.000 0.178 0.000 0.981 729 Q CA 2.216 58.090 55.803 0.118 0.000 0.856 729 Q CB -0.399 28.360 28.738 0.035 0.000 0.902 729 Q HN 0.765 nan 8.270 nan 0.000 0.425 730 E N -1.464 118.784 120.200 0.079 0.000 2.118 730 E HA -0.221 4.120 4.350 -0.014 0.000 0.195 730 E C 1.327 177.873 176.600 -0.089 0.000 0.992 730 E CA 1.233 57.603 56.400 -0.050 0.000 0.804 730 E CB -0.118 29.471 29.700 -0.184 0.000 0.741 730 E HN 0.562 nan 8.360 nan 0.000 0.458 731 Y N -1.467 118.896 120.300 0.106 0.000 2.395 731 Y HA -0.126 4.415 4.550 -0.014 0.000 0.293 731 Y C 1.956 177.837 175.900 -0.032 0.000 1.123 731 Y CA 1.076 59.216 58.100 0.067 0.000 1.227 731 Y CB -0.292 38.251 38.460 0.138 0.000 1.012 731 Y HN 0.200 nan 8.280 nan 0.000 0.552 732 Y N 1.180 121.503 120.300 0.038 0.000 2.242 732 Y HA -0.229 4.313 4.550 -0.014 0.000 0.291 732 Y C 1.697 177.567 175.900 -0.051 0.000 1.137 732 Y CA 1.633 59.688 58.100 -0.075 0.000 1.181 732 Y CB -0.207 38.264 38.460 0.018 0.000 0.989 732 Y HN 0.071 nan 8.280 nan 0.000 0.527 733 D N -0.068 120.363 120.400 0.051 0.000 2.085 733 D HA -0.122 4.510 4.640 -0.014 0.000 0.199 733 D C 2.058 178.309 176.300 -0.082 0.000 0.981 733 D CA 1.222 55.208 54.000 -0.024 0.000 0.834 733 D CB -0.271 40.547 40.800 0.030 0.000 0.992 733 D HN 0.327 nan 8.370 nan 0.000 0.457 734 R N 0.381 120.844 120.500 -0.062 0.000 2.285 734 R HA 0.068 4.400 4.340 -0.014 0.000 0.213 734 R C 0.569 176.842 176.300 -0.045 0.000 1.068 734 R CA 0.282 56.350 56.100 -0.053 0.000 1.004 734 R CB -0.222 30.047 30.300 -0.052 0.000 0.873 734 R HN 0.281 nan 8.270 nan 0.000 0.467 735 I N 1.776 122.301 120.570 -0.075 0.000 2.437 735 I HA 0.194 4.356 4.170 -0.014 0.000 0.279 735 I C -1.850 174.187 176.117 -0.135 0.000 1.028 735 I CA -2.236 59.034 61.300 -0.050 0.000 1.142 735 I CB 2.471 40.482 38.000 0.019 0.000 1.266 735 I HN -0.261 nan 8.210 nan 0.000 0.461 736 P HA -0.126 nan 4.420 nan 0.000 0.217 736 P C 1.155 178.378 177.300 -0.128 0.000 1.150 736 P CA 1.214 64.231 63.100 -0.137 0.000 0.832 736 P CB 0.299 31.945 31.700 -0.091 0.000 0.787 737 E N -0.552 119.611 120.200 -0.062 0.000 2.110 737 E HA -0.141 4.200 4.350 -0.014 0.000 0.193 737 E C 1.982 178.513 176.600 -0.116 0.000 0.988 737 E CA 0.816 57.200 56.400 -0.027 0.000 0.804 737 E CB -0.618 29.136 29.700 0.090 0.000 0.745 737 E HN 0.259 nan 8.360 nan 0.000 0.458 738 L N 0.596 121.660 121.223 -0.266 0.000 2.141 738 L HA -0.158 4.174 4.340 -0.014 0.000 0.209 738 L C 2.609 179.246 176.870 -0.389 0.000 1.094 738 L CA 0.856 55.387 54.840 -0.515 0.000 0.763 738 L CB -0.117 41.480 42.059 -0.770 0.000 0.908 738 L HN 0.100 nan 8.230 nan 0.000 0.437 739 R N -0.631 119.615 120.500 -0.423 0.000 2.080 739 R HA -0.245 4.087 4.340 -0.014 0.000 0.236 739 R C 2.247 178.441 176.300 -0.177 0.000 1.137 739 R CA 1.842 57.647 56.100 -0.491 0.000 0.943 739 R CB -0.378 29.608 30.300 -0.523 0.000 0.846 739 R HN 0.414 nan 8.270 nan 0.000 0.431 740 Q N 0.732 120.450 119.800 -0.136 0.000 2.029 740 Q HA -0.235 4.096 4.340 -0.014 0.000 0.209 740 Q C 2.123 178.129 176.000 0.009 0.000 0.999 740 Q CA 2.036 57.801 55.803 -0.064 0.000 0.857 740 Q CB -0.179 28.516 28.738 -0.071 0.000 0.926 740 Q HN 0.388 nan 8.270 nan 0.000 0.415 741 I N 0.523 121.107 120.570 0.024 0.000 2.163 741 I HA -0.316 3.846 4.170 -0.014 0.000 0.243 741 I C 2.285 178.499 176.117 0.162 0.000 1.085 741 I CA 0.794 62.165 61.300 0.119 0.000 1.347 741 I CB -0.434 37.597 38.000 0.053 0.000 1.044 741 I HN 0.315 nan 8.210 nan 0.000 0.408 742 I N 0.624 121.275 120.570 0.134 0.000 2.179 742 I HA -0.218 3.944 4.170 -0.014 0.000 0.242 742 I C 2.583 178.834 176.117 0.224 0.000 1.088 742 I CA 1.568 63.004 61.300 0.228 0.000 1.357 742 I CB -1.338 36.891 38.000 0.383 0.000 1.051 742 I HN 0.258 nan 8.210 nan 0.000 0.409 743 E N 0.413 120.729 120.200 0.194 0.000 2.204 743 E HA -0.191 4.151 4.350 -0.014 0.000 0.194 743 E C 2.147 178.843 176.600 0.160 0.000 0.989 743 E CA 0.695 57.193 56.400 0.163 0.000 0.824 743 E CB -0.217 29.554 29.700 0.119 0.000 0.756 743 E HN 0.576 nan 8.360 nan 0.000 0.477 744 Q N 0.035 119.943 119.800 0.179 0.000 2.167 744 Q HA -0.039 4.292 4.340 -0.014 0.000 0.202 744 Q C 2.317 178.552 176.000 0.392 0.000 0.970 744 Q CA 0.711 56.661 55.803 0.246 0.000 0.855 744 Q CB 0.039 28.962 28.738 0.308 0.000 0.911 744 Q HN 0.258 nan 8.270 nan 0.000 0.438 745 L N -0.404 121.041 121.223 0.370 0.000 1.988 745 L HA -0.171 4.160 4.340 -0.014 0.000 0.207 745 L C 2.418 179.471 176.870 0.305 0.000 1.071 745 L CA 1.086 56.130 54.840 0.342 0.000 0.744 745 L CB -0.521 41.675 42.059 0.229 0.000 0.893 745 L HN 0.129 nan 8.230 nan 0.000 0.433 746 S N 0.113 115.955 115.700 0.237 0.000 2.374 746 S HA -0.192 4.270 4.470 -0.014 0.000 0.227 746 S C 2.028 176.734 174.600 0.176 0.000 1.037 746 S CA 1.782 60.097 58.200 0.192 0.000 1.024 746 S CB -0.367 62.927 63.200 0.156 0.000 0.861 746 S HN 0.609 nan 8.310 nan 0.000 0.456 747 S N 0.013 115.818 115.700 0.175 0.000 2.528 747 S HA 0.412 4.873 4.470 -0.014 0.000 0.219 747 S C 1.406 176.100 174.600 0.157 0.000 0.985 747 S CA 0.513 58.799 58.200 0.144 0.000 0.914 747 S CB 0.213 63.483 63.200 0.117 0.000 0.776 747 S HN 0.852 nan 8.310 nan 0.000 0.526 748 G N 0.843 109.769 108.800 0.209 0.000 2.138 748 G HA2 -0.250 3.701 3.960 -0.014 0.000 0.193 748 G HA3 -0.250 3.701 3.960 -0.014 0.000 0.193 748 G C 0.166 175.172 174.900 0.177 0.000 0.998 748 G CA 0.062 45.280 45.100 0.198 0.000 0.668 748 G HN 0.444 nan 8.290 nan 0.000 0.516 749 F N 0.745 120.708 119.950 0.021 0.000 2.171 749 F HA 0.255 4.774 4.527 -0.014 0.000 0.300 749 F C 1.786 177.466 175.800 -0.199 0.000 1.090 749 F CA 1.420 59.325 58.000 -0.159 0.000 1.293 749 F CB -0.161 38.637 39.000 -0.336 0.000 1.013 749 F HN 0.136 nan 8.300 nan 0.000 0.486 750 F N -0.063 119.797 119.950 -0.149 0.000 2.765 750 F HA 0.183 4.702 4.527 -0.014 0.000 0.302 750 F C 1.061 176.853 175.800 -0.014 0.000 1.111 750 F CA 0.478 58.323 58.000 -0.258 0.000 1.359 750 F CB -0.323 38.526 39.000 -0.252 0.000 1.097 750 F HN 0.041 nan 8.300 nan 0.000 0.577 751 S N -1.985 113.852 115.700 0.228 0.000 2.407 751 S HA 0.342 4.804 4.470 -0.014 0.000 0.166 751 S C -2.373 172.281 174.600 0.091 0.000 1.445 751 S CA -0.989 57.328 58.200 0.196 0.000 1.260 751 S CB 0.641 64.003 63.200 0.271 0.000 1.401 751 S HN -0.130 nan 8.310 nan 0.000 0.379 752 P HA -0.065 nan 4.420 nan 0.000 0.217 752 P C 1.401 178.722 177.300 0.034 0.000 1.150 752 P CA 0.996 64.115 63.100 0.032 0.000 0.832 752 P CB 0.149 31.850 31.700 0.001 0.000 0.787 753 K N -0.754 119.662 120.400 0.027 0.000 2.365 753 K HA -0.011 4.300 4.320 -0.014 0.000 0.199 753 K C 0.572 177.188 176.600 0.027 0.000 1.045 753 K CA 0.965 57.266 56.287 0.024 0.000 0.962 753 K CB -0.103 32.409 32.500 0.020 0.000 0.759 753 K HN 0.402 nan 8.250 nan 0.000 0.469 754 Q N -0.319 119.501 119.800 0.032 0.000 3.090 754 Q HA 0.179 4.511 4.340 -0.014 0.000 0.241 754 Q C -2.295 173.728 176.000 0.038 0.000 0.958 754 Q CA -1.421 54.397 55.803 0.025 0.000 0.715 754 Q CB 1.846 30.589 28.738 0.009 0.000 1.298 754 Q HN -0.131 nan 8.270 nan 0.000 0.468 755 P HA -0.198 nan 4.420 nan 0.000 0.215 755 P C 0.737 178.089 177.300 0.087 0.000 1.153 755 P CA 1.184 64.334 63.100 0.083 0.000 0.853 755 P CB 0.363 32.108 31.700 0.074 0.000 0.788 756 D N -1.324 119.109 120.400 0.055 0.000 2.309 756 D HA -0.145 4.487 4.640 -0.014 0.000 0.212 756 D C 1.679 177.987 176.300 0.013 0.000 0.968 756 D CA 0.373 54.402 54.000 0.048 0.000 0.882 756 D CB -0.668 40.153 40.800 0.034 0.000 0.918 756 D HN -0.129 nan 8.370 nan 0.000 0.503 757 L N -0.408 120.781 121.223 -0.057 0.000 2.051 757 L HA -0.173 4.159 4.340 -0.014 0.000 0.214 757 L C 1.157 177.779 176.870 -0.413 0.000 1.076 757 L CA 1.681 56.374 54.840 -0.244 0.000 0.758 757 L CB -0.580 41.245 42.059 -0.390 0.000 0.890 757 L HN 0.038 nan 8.230 nan 0.000 0.433 758 F N -0.719 119.278 119.950 0.079 0.000 2.660 758 F HA 0.163 4.681 4.527 -0.014 0.000 0.297 758 F C 1.935 177.782 175.800 0.077 0.000 1.132 758 F CA -0.107 57.928 58.000 0.060 0.000 1.372 758 F CB -0.593 38.432 39.000 0.041 0.000 1.003 758 F HN 0.029 nan 8.300 nan 0.000 0.524 759 K N 0.637 121.128 120.400 0.152 0.000 2.147 759 K HA -0.166 4.145 4.320 -0.014 0.000 0.205 759 K C 1.012 177.702 176.600 0.149 0.000 1.049 759 K CA 1.495 57.868 56.287 0.145 0.000 0.936 759 K CB -0.043 32.520 32.500 0.104 0.000 0.722 759 K HN 0.207 nan 8.250 nan 0.000 0.446 760 D N 0.592 121.081 120.400 0.149 0.000 2.178 760 D HA -0.103 4.529 4.640 -0.014 0.000 0.202 760 D C 1.937 178.333 176.300 0.159 0.000 0.974 760 D CA 0.820 54.918 54.000 0.163 0.000 0.841 760 D CB -0.017 40.898 40.800 0.192 0.000 0.953 760 D HN 0.298 nan 8.370 nan 0.000 0.478 761 I N 0.146 120.812 120.570 0.161 0.000 2.277 761 I HA -0.180 3.982 4.170 -0.014 0.000 0.243 761 I C 2.399 178.579 176.117 0.106 0.000 1.094 761 I CA 0.367 61.745 61.300 0.129 0.000 1.393 761 I CB -0.093 37.998 38.000 0.152 0.000 1.078 761 I HN -0.157 nan 8.210 nan 0.000 0.417 762 V N 1.351 121.344 119.914 0.132 0.000 2.252 762 V HA -0.359 3.752 4.120 -0.014 0.000 0.249 762 V C 2.349 178.463 176.094 0.034 0.000 1.056 762 V CA 2.290 64.650 62.300 0.101 0.000 1.022 762 V CB -0.937 30.964 31.823 0.131 0.000 0.641 762 V HN 0.532 nan 8.190 nan 0.000 0.445 763 N N -0.443 118.312 118.700 0.091 0.000 2.104 763 N HA -0.206 4.526 4.740 -0.014 0.000 0.190 763 N C 1.875 177.449 175.510 0.106 0.000 1.024 763 N CA 1.894 55.023 53.050 0.132 0.000 0.853 763 N CB -0.202 38.418 38.487 0.222 0.000 1.008 763 N HN 0.386 nan 8.380 nan 0.000 0.424 764 M N 0.336 120.029 119.600 0.155 0.000 2.077 764 M HA -0.126 4.346 4.480 -0.014 0.000 0.261 764 M C 1.684 177.975 176.300 -0.014 0.000 1.070 764 M CA 0.968 56.386 55.300 0.197 0.000 1.125 764 M CB -0.626 32.072 32.600 0.163 0.000 1.339 764 M HN 0.047 nan 8.290 nan 0.000 0.409 765 L N 0.342 121.486 121.223 -0.131 0.000 2.012 765 L HA -0.216 4.115 4.340 -0.014 0.000 0.210 765 L C 2.581 179.146 176.870 -0.508 0.000 1.073 765 L CA 1.894 56.497 54.840 -0.394 0.000 0.748 765 L CB -1.453 40.327 42.059 -0.465 0.000 0.891 765 L HN 0.361 nan 8.230 nan 0.000 0.431 766 M N -1.964 117.377 119.600 -0.431 0.000 2.254 766 M HA -0.128 4.344 4.480 -0.014 0.000 0.265 766 M C 1.763 177.543 176.300 -0.867 0.000 1.066 766 M CA 1.588 56.523 55.300 -0.608 0.000 1.123 766 M CB -0.112 32.057 32.600 -0.719 0.000 1.388 766 M HN 0.261 nan 8.290 nan 0.000 0.425 767 H N -3.250 115.651 119.070 -0.281 0.000 3.457 767 H HA 0.300 4.847 4.556 -0.014 0.000 0.255 767 H C -0.020 174.959 175.328 -0.583 0.000 1.082 767 H CA 0.451 56.206 56.048 -0.489 0.000 1.189 767 H CB 0.285 29.602 29.762 -0.741 0.000 1.511 767 H HN 0.444 nan 8.280 nan 0.000 0.527 768 H N -0.448 118.659 119.070 0.062 0.000 2.901 768 H HA 0.163 4.711 4.556 -0.014 0.000 0.227 768 H C -0.742 174.597 175.328 0.019 0.000 1.390 768 H CA -0.443 55.638 56.048 0.056 0.000 1.120 768 H CB 0.667 30.468 29.762 0.066 0.000 2.131 768 H HN -0.053 nan 8.280 nan 0.000 0.549 769 D N 1.457 121.904 120.400 0.078 0.000 2.374 769 D HA 0.093 4.725 4.640 -0.014 0.000 0.240 769 D C 0.966 177.221 176.300 -0.075 0.000 1.229 769 D CA -0.146 53.868 54.000 0.022 0.000 0.895 769 D CB 0.638 41.431 40.800 -0.012 0.000 1.046 769 D HN 0.383 nan 8.370 nan 0.000 0.498 770 R N 2.479 122.836 120.500 -0.239 0.000 2.235 770 R HA -0.050 4.282 4.340 -0.014 0.000 0.213 770 R C 0.559 176.337 176.300 -0.870 0.000 1.059 770 R CA 0.740 56.492 56.100 -0.579 0.000 0.997 770 R CB 0.192 29.957 30.300 -0.891 0.000 0.884 770 R HN 0.399 nan 8.270 nan 0.000 0.462 771 F N 0.429 120.348 119.950 -0.051 0.000 2.668 771 F HA 0.262 4.781 4.527 -0.014 0.000 0.301 771 F C 0.193 175.882 175.800 -0.186 0.000 1.106 771 F CA -0.612 57.344 58.000 -0.074 0.000 1.289 771 F CB 0.229 39.241 39.000 0.020 0.000 1.006 771 F HN -0.220 nan 8.300 nan 0.000 0.535 772 K N -0.653 119.564 120.400 -0.304 0.000 3.077 772 K HA -0.187 4.125 4.320 -0.014 0.000 0.264 772 K C 1.092 177.571 176.600 -0.202 0.000 1.008 772 K CA 0.263 56.207 56.287 -0.572 0.000 0.740 772 K CB -1.945 30.158 32.500 -0.662 0.000 1.273 772 K HN 0.209 nan 8.250 nan 0.000 0.477 773 V N -0.101 119.773 119.914 -0.067 0.000 2.282 773 V HA -0.293 3.818 4.120 -0.014 0.000 0.249 773 V C 2.029 178.248 176.094 0.208 0.000 1.057 773 V CA 2.255 64.586 62.300 0.051 0.000 1.032 773 V CB -0.491 31.358 31.823 0.043 0.000 0.645 773 V HN 0.367 nan 8.190 nan 0.000 0.447 774 F N 0.543 120.487 119.950 -0.010 0.000 2.293 774 F HA -0.013 4.505 4.527 -0.014 0.000 0.300 774 F C 2.373 177.990 175.800 -0.304 0.000 1.086 774 F CA 0.723 58.678 58.000 -0.075 0.000 1.375 774 F CB -1.348 37.624 39.000 -0.046 0.000 1.045 774 F HN 0.174 nan 8.300 nan 0.000 0.516 775 A N -0.855 121.820 122.820 -0.241 0.000 2.119 775 A HA -0.090 4.222 4.320 -0.014 0.000 0.217 775 A C 1.486 179.089 177.584 0.032 0.000 1.153 775 A CA 1.418 53.246 52.037 -0.348 0.000 0.692 775 A CB -0.408 18.486 19.000 -0.177 0.000 0.799 775 A HN 0.139 nan 8.150 nan 0.000 0.458 776 D N -2.604 117.862 120.400 0.109 0.000 2.395 776 D HA 0.119 4.750 4.640 -0.014 0.000 0.213 776 D C 1.022 177.501 176.300 0.298 0.000 1.110 776 D CA -0.090 54.040 54.000 0.217 0.000 0.835 776 D CB -0.072 40.840 40.800 0.188 0.000 0.965 776 D HN 0.519 nan 8.370 nan 0.000 0.505 777 Y N 2.031 122.430 120.300 0.166 0.000 2.070 777 Y HA -0.168 4.374 4.550 -0.014 0.000 0.279 777 Y C 1.970 177.989 175.900 0.198 0.000 1.134 777 Y CA 1.845 60.059 58.100 0.190 0.000 1.113 777 Y CB 0.036 38.573 38.460 0.128 0.000 0.981 777 Y HN -0.112 nan 8.280 nan 0.000 0.487 778 E N 0.045 120.280 120.200 0.059 0.000 2.070 778 E HA -0.267 4.075 4.350 -0.014 0.000 0.197 778 E C 2.161 178.753 176.600 -0.013 0.000 1.004 778 E CA 1.671 58.047 56.400 -0.039 0.000 0.805 778 E CB -0.255 29.516 29.700 0.117 0.000 0.744 778 E HN 0.630 nan 8.360 nan 0.000 0.451 779 E N -0.131 120.143 120.200 0.123 0.000 2.118 779 E HA -0.222 4.120 4.350 -0.014 0.000 0.195 779 E C 1.929 178.573 176.600 0.074 0.000 0.992 779 E CA 1.033 57.542 56.400 0.182 0.000 0.804 779 E CB -0.152 29.759 29.700 0.352 0.000 0.741 779 E HN 0.280 nan 8.360 nan 0.000 0.458 780 Y N 1.098 121.281 120.300 -0.196 0.000 2.133 780 Y HA -0.208 4.333 4.550 -0.014 0.000 0.287 780 Y C 2.274 177.837 175.900 -0.561 0.000 1.134 780 Y CA 1.559 59.217 58.100 -0.736 0.000 1.133 780 Y CB -0.448 37.733 38.460 -0.464 0.000 0.987 780 Y HN -0.044 nan 8.280 nan 0.000 0.502 781 V N -1.179 118.498 119.914 -0.395 0.000 2.626 781 V HA -0.167 3.944 4.120 -0.014 0.000 0.252 781 V C 1.985 177.901 176.094 -0.297 0.000 1.067 781 V CA 1.921 63.999 62.300 -0.370 0.000 1.081 781 V CB -0.597 31.001 31.823 -0.376 0.000 0.686 781 V HN 0.306 nan 8.190 nan 0.000 0.468 782 K N -0.284 119.972 120.400 -0.240 0.000 2.044 782 K HA -0.065 4.246 4.320 -0.014 0.000 0.204 782 K C 2.338 178.829 176.600 -0.181 0.000 1.049 782 K CA 1.476 57.670 56.287 -0.155 0.000 0.945 782 K CB -0.708 31.749 32.500 -0.071 0.000 0.724 782 K HN 0.591 nan 8.250 nan 0.000 0.440 783 C N 1.968 121.127 119.300 -0.236 0.000 2.413 783 C HA -0.099 4.352 4.460 -0.014 0.000 0.277 783 C C 2.695 177.437 174.990 -0.413 0.000 1.265 783 C CA 0.921 59.791 59.018 -0.246 0.000 1.752 783 C CB -0.655 26.906 27.740 -0.299 0.000 1.998 783 C HN 0.403 nan 8.230 nan 0.000 0.489 784 Q N 0.310 119.768 119.800 -0.570 0.000 2.167 784 Q HA -0.165 4.166 4.340 -0.014 0.000 0.202 784 Q C 1.988 177.786 176.000 -0.336 0.000 0.970 784 Q CA 1.597 57.056 55.803 -0.573 0.000 0.855 784 Q CB -0.383 27.893 28.738 -0.770 0.000 0.911 784 Q HN 0.755 nan 8.270 nan 0.000 0.438 785 E N 0.292 120.353 120.200 -0.231 0.000 2.110 785 E HA -0.163 4.179 4.350 -0.014 0.000 0.193 785 E C 2.076 178.593 176.600 -0.137 0.000 0.988 785 E CA 0.784 57.096 56.400 -0.147 0.000 0.804 785 E CB 0.002 29.639 29.700 -0.104 0.000 0.745 785 E HN 0.223 nan 8.360 nan 0.000 0.458 786 R N 0.227 120.635 120.500 -0.154 0.000 2.115 786 R HA -0.106 4.226 4.340 -0.014 0.000 0.230 786 R C 2.627 178.794 176.300 -0.223 0.000 1.111 786 R CA 1.284 57.323 56.100 -0.100 0.000 0.976 786 R CB -0.344 29.952 30.300 -0.008 0.000 0.870 786 R HN 0.209 nan 8.270 nan 0.000 0.445 787 V N -1.529 118.076 119.914 -0.514 0.000 2.591 787 V HA -0.098 4.014 4.120 -0.014 0.000 0.249 787 V C 1.736 177.748 176.094 -0.136 0.000 1.053 787 V CA 1.843 63.813 62.300 -0.551 0.000 1.068 787 V CB 0.012 31.391 31.823 -0.739 0.000 0.689 787 V HN 0.105 nan 8.190 nan 0.000 0.462 788 S N 1.217 116.818 115.700 -0.165 0.000 2.402 788 S HA 0.037 4.499 4.470 -0.014 0.000 0.229 788 S C 2.259 176.861 174.600 0.002 0.000 1.021 788 S CA 1.446 59.584 58.200 -0.102 0.000 0.974 788 S CB -0.570 62.559 63.200 -0.118 0.000 0.800 788 S HN 0.964 nan 8.310 nan 0.000 0.484 789 A N 1.947 124.771 122.820 0.007 0.000 1.851 789 A HA -0.013 4.299 4.320 -0.014 0.000 0.216 789 A C 2.081 179.734 177.584 0.116 0.000 1.195 789 A CA 1.208 53.279 52.037 0.057 0.000 0.622 789 A CB -0.976 18.054 19.000 0.050 0.000 0.831 789 A HN 0.438 nan 8.150 nan 0.000 0.444 790 L N -1.911 119.435 121.223 0.206 0.000 2.187 790 L HA -0.199 4.133 4.340 -0.014 0.000 0.213 790 L C 2.485 179.522 176.870 0.278 0.000 1.100 790 L CA 1.584 56.644 54.840 0.367 0.000 0.765 790 L CB -0.328 42.139 42.059 0.681 0.000 0.904 790 L HN 0.652 nan 8.230 nan 0.000 0.437 791 Y N 0.657 120.860 120.300 -0.162 0.000 2.263 791 Y HA -0.233 4.310 4.550 -0.013 0.000 0.292 791 Y C 2.463 178.184 175.900 -0.298 0.000 1.130 791 Y CA 1.438 59.133 58.100 -0.675 0.000 1.179 791 Y CB -0.039 37.970 38.460 -0.752 0.000 0.998 791 Y HN -0.010 nan 8.280 nan 0.000 0.532 792 K N 0.053 120.429 120.400 -0.039 0.000 2.362 792 K HA -0.183 4.128 4.320 -0.014 0.000 0.202 792 K C 0.308 176.867 176.600 -0.069 0.000 1.045 792 K CA 0.949 57.220 56.287 -0.026 0.000 0.936 792 K CB -0.203 32.333 32.500 0.060 0.000 0.747 792 K HN 0.115 nan 8.250 nan 0.000 0.467 793 N N 0.184 118.855 118.700 -0.048 0.000 2.976 793 N HA 0.131 4.863 4.740 -0.014 0.000 0.255 793 N C -2.432 173.072 175.510 -0.010 0.000 1.312 793 N CA -2.152 50.892 53.050 -0.010 0.000 0.897 793 N CB 1.192 39.712 38.487 0.056 0.000 1.184 793 N HN -0.190 nan 8.380 nan 0.000 0.497 794 P HA -0.226 nan 4.420 nan 0.000 0.219 794 P C 1.296 178.604 177.300 0.012 0.000 1.158 794 P CA 1.370 64.402 63.100 -0.113 0.000 0.895 794 P CB 0.348 31.962 31.700 -0.142 0.000 0.792 795 R N -0.682 119.828 120.500 0.016 0.000 2.148 795 R HA -0.114 4.218 4.340 -0.014 0.000 0.223 795 R C 1.788 178.128 176.300 0.066 0.000 1.088 795 R CA 1.202 57.322 56.100 0.033 0.000 0.985 795 R CB -0.138 30.173 30.300 0.020 0.000 0.880 795 R HN 0.087 nan 8.270 nan 0.000 0.451 796 E N -1.166 119.092 120.200 0.097 0.000 2.318 796 E HA -0.091 4.251 4.350 -0.014 0.000 0.193 796 E C 1.040 177.748 176.600 0.179 0.000 0.998 796 E CA 0.517 56.988 56.400 0.118 0.000 0.859 796 E CB -0.096 29.677 29.700 0.121 0.000 0.812 796 E HN 0.281 nan 8.360 nan 0.000 0.492 797 W N 0.903 122.202 121.300 -0.002 0.000 2.378 797 W HA -0.110 4.541 4.660 -0.015 0.000 0.313 797 W C 2.107 178.625 176.519 -0.000 0.000 1.197 797 W CA 1.952 59.309 57.345 0.021 0.000 1.304 797 W CB -0.697 28.761 29.460 -0.003 0.000 1.148 797 W HN -0.033 nan 8.180 nan 0.000 0.494 798 T N 0.262 114.928 114.554 0.186 0.000 2.929 798 T HA -0.171 4.171 4.350 -0.014 0.000 0.271 798 T C 1.629 176.327 174.700 -0.002 0.000 1.085 798 T CA 1.380 63.516 62.100 0.060 0.000 1.125 798 T CB -0.180 68.709 68.868 0.036 0.000 0.874 798 T HN 0.171 nan 8.240 nan 0.000 0.494 799 R N -0.155 120.351 120.500 0.010 0.000 2.189 799 R HA 0.351 4.683 4.340 -0.014 0.000 0.203 799 R C 2.395 178.675 176.300 -0.032 0.000 1.012 799 R CA 0.234 56.336 56.100 0.004 0.000 1.015 799 R CB -0.190 30.126 30.300 0.026 0.000 0.938 799 R HN 0.317 nan 8.270 nan 0.000 0.472 800 M N 0.745 120.295 119.600 -0.082 0.000 2.086 800 M HA -0.153 4.319 4.480 -0.014 0.000 0.261 800 M C 1.892 178.085 176.300 -0.179 0.000 1.067 800 M CA 1.523 56.730 55.300 -0.155 0.000 1.116 800 M CB 0.093 32.538 32.600 -0.258 0.000 1.348 800 M HN -0.012 nan 8.290 nan 0.000 0.407 801 V N 1.040 120.830 119.914 -0.207 0.000 2.252 801 V HA -0.337 3.775 4.120 -0.014 0.000 0.249 801 V C 2.210 178.254 176.094 -0.084 0.000 1.056 801 V CA 2.203 64.402 62.300 -0.169 0.000 1.022 801 V CB -0.634 31.113 31.823 -0.127 0.000 0.641 801 V HN 0.522 nan 8.190 nan 0.000 0.445 802 I N -0.606 119.934 120.570 -0.049 0.000 2.567 802 I HA -0.212 3.950 4.170 -0.014 0.000 0.257 802 I C 2.490 178.631 176.117 0.040 0.000 1.184 802 I CA 1.333 62.641 61.300 0.013 0.000 1.451 802 I CB -0.348 37.698 38.000 0.077 0.000 1.089 802 I HN 0.255 nan 8.210 nan 0.000 0.441 803 R N 0.099 120.603 120.500 0.006 0.000 2.240 803 R HA 0.032 4.363 4.340 -0.014 0.000 0.203 803 R C 1.810 178.126 176.300 0.026 0.000 1.011 803 R CA 0.389 56.500 56.100 0.018 0.000 1.007 803 R CB -0.190 30.109 30.300 -0.002 0.000 0.911 803 R HN 0.470 nan 8.270 nan 0.000 0.468 804 N N 1.026 119.728 118.700 0.003 0.000 2.197 804 N HA -0.018 4.713 4.740 -0.014 0.000 0.184 804 N C 1.914 177.466 175.510 0.070 0.000 1.030 804 N CA 0.946 54.018 53.050 0.037 0.000 0.851 804 N CB 0.074 38.539 38.487 -0.037 0.000 1.003 804 N HN 0.075 nan 8.380 nan 0.000 0.430 805 I N 1.749 122.344 120.570 0.042 0.000 2.194 805 I HA -0.274 3.887 4.170 -0.014 0.000 0.246 805 I C 2.337 178.497 176.117 0.071 0.000 1.093 805 I CA 1.129 62.462 61.300 0.056 0.000 1.355 805 I CB -0.300 37.719 38.000 0.032 0.000 1.046 805 I HN 0.107 nan 8.210 nan 0.000 0.413 806 A N -1.144 121.718 122.820 0.070 0.000 2.121 806 A HA -0.127 4.184 4.320 -0.014 0.000 0.218 806 A C 2.090 179.709 177.584 0.058 0.000 1.154 806 A CA 1.754 53.831 52.037 0.067 0.000 0.679 806 A CB -0.451 18.596 19.000 0.077 0.000 0.795 806 A HN 0.365 nan 8.150 nan 0.000 0.458 807 T N -1.065 113.534 114.554 0.075 0.000 3.228 807 T HA 0.208 4.550 4.350 -0.014 0.000 0.278 807 T C 1.105 175.878 174.700 0.121 0.000 1.014 807 T CA 0.500 62.646 62.100 0.077 0.000 0.904 807 T CB -0.164 68.752 68.868 0.080 0.000 1.110 807 T HN 0.336 nan 8.240 nan 0.000 0.541 808 S N 0.118 115.901 115.700 0.138 0.000 2.527 808 S HA 0.098 4.559 4.470 -0.014 0.000 0.222 808 S C 2.348 177.003 174.600 0.092 0.000 0.985 808 S CA 0.516 58.848 58.200 0.221 0.000 0.921 808 S CB -0.095 63.230 63.200 0.208 0.000 0.772 808 S HN 0.645 nan 8.310 nan 0.000 0.529 809 G N 2.487 111.291 108.800 0.006 0.000 2.505 809 G HA2 -0.312 3.640 3.960 -0.014 0.000 0.220 809 G HA3 -0.312 3.640 3.960 -0.014 0.000 0.220 809 G C 1.360 176.162 174.900 -0.163 0.000 1.145 809 G CA 0.945 46.020 45.100 -0.042 0.000 0.761 809 G HN 0.404 nan 8.290 nan 0.000 0.571 810 K N -0.289 119.881 120.400 -0.383 0.000 2.211 810 K HA -0.053 4.259 4.320 -0.014 0.000 0.204 810 K C 1.197 177.421 176.600 -0.626 0.000 1.047 810 K CA 0.640 56.579 56.287 -0.581 0.000 0.935 810 K CB -0.220 31.763 32.500 -0.862 0.000 0.728 810 K HN 0.373 nan 8.250 nan 0.000 0.452 811 F N 0.642 120.617 119.950 0.041 0.000 2.664 811 F HA 0.164 4.682 4.527 -0.015 0.000 0.301 811 F C 0.869 176.708 175.800 0.066 0.000 1.126 811 F CA -0.302 57.729 58.000 0.051 0.000 1.373 811 F CB -0.094 38.934 39.000 0.046 0.000 1.042 811 F HN -0.218 nan 8.300 nan 0.000 0.535 812 S N 0.005 115.769 115.700 0.107 0.000 2.523 812 S HA 0.161 4.622 4.470 -0.014 0.000 0.275 812 S C 1.399 176.073 174.600 0.124 0.000 1.281 812 S CA -0.140 58.126 58.200 0.110 0.000 1.050 812 S CB 0.692 63.926 63.200 0.055 0.000 0.937 812 S HN 0.337 nan 8.310 nan 0.000 0.492 813 S N 3.423 119.225 115.700 0.170 0.000 2.507 813 S HA -0.078 4.383 4.470 -0.014 0.000 0.235 813 S C 0.982 175.655 174.600 0.121 0.000 0.988 813 S CA 0.630 58.963 58.200 0.221 0.000 0.944 813 S CB -0.266 63.127 63.200 0.322 0.000 0.762 813 S HN 0.798 nan 8.310 nan 0.000 0.526 814 D N 1.627 122.072 120.400 0.075 0.000 2.219 814 D HA -0.080 4.551 4.640 -0.014 0.000 0.205 814 D C 2.096 178.404 176.300 0.013 0.000 0.970 814 D CA 0.649 54.670 54.000 0.035 0.000 0.851 814 D CB -0.216 40.596 40.800 0.021 0.000 0.943 814 D HN 0.327 nan 8.370 nan 0.000 0.488 815 R N 1.040 121.547 120.500 0.010 0.000 2.062 815 R HA -0.066 4.266 4.340 -0.014 0.000 0.226 815 R C 1.907 178.191 176.300 -0.026 0.000 1.125 815 R CA 1.251 57.339 56.100 -0.020 0.000 0.966 815 R CB -0.792 29.482 30.300 -0.044 0.000 0.861 815 R HN 0.065 nan 8.270 nan 0.000 0.433 816 T N 2.498 117.059 114.554 0.012 0.000 2.635 816 T HA -0.155 4.186 4.350 -0.014 0.000 0.267 816 T C 1.972 176.654 174.700 -0.031 0.000 1.040 816 T CA 1.597 63.711 62.100 0.023 0.000 1.156 816 T CB -0.171 68.795 68.868 0.163 0.000 0.863 816 T HN 0.107 nan 8.240 nan 0.000 0.430 817 I N 1.667 122.180 120.570 -0.094 0.000 2.252 817 I HA -0.055 4.107 4.170 -0.014 0.000 0.245 817 I C 2.972 179.049 176.117 -0.066 0.000 1.102 817 I CA 1.064 62.281 61.300 -0.139 0.000 1.385 817 I CB -1.607 36.327 38.000 -0.109 0.000 1.064 817 I HN 0.224 nan 8.210 nan 0.000 0.414 818 A N -0.064 122.733 122.820 -0.038 0.000 2.019 818 A HA -0.226 4.085 4.320 -0.014 0.000 0.219 818 A C 2.259 179.798 177.584 -0.076 0.000 1.164 818 A CA 1.308 53.327 52.037 -0.030 0.000 0.644 818 A CB -0.529 18.460 19.000 -0.018 0.000 0.805 818 A HN 0.486 nan 8.150 nan 0.000 0.449 819 Q N -1.944 117.786 119.800 -0.116 0.000 2.083 819 Q HA -0.147 4.185 4.340 -0.014 0.000 0.198 819 Q C 1.796 177.619 176.000 -0.295 0.000 0.969 819 Q CA 1.566 57.258 55.803 -0.185 0.000 0.838 819 Q CB -0.225 28.387 28.738 -0.210 0.000 0.900 819 Q HN 0.822 nan 8.270 nan 0.000 0.436 820 Y N 0.131 120.137 120.300 -0.491 0.000 2.114 820 Y HA -0.265 4.276 4.550 -0.014 0.000 0.284 820 Y C 2.397 177.742 175.900 -0.925 0.000 1.143 820 Y CA 1.275 58.830 58.100 -0.909 0.000 1.135 820 Y CB -0.570 37.050 38.460 -1.401 0.000 0.980 820 Y HN 0.160 nan 8.280 nan 0.000 0.499 821 A N 0.416 123.021 122.820 -0.358 0.000 1.884 821 A HA -0.306 4.006 4.320 -0.014 0.000 0.219 821 A C 2.230 179.847 177.584 0.055 0.000 1.197 821 A CA 2.530 54.624 52.037 0.096 0.000 0.637 821 A CB -0.696 18.409 19.000 0.176 0.000 0.827 821 A HN 0.481 nan 8.150 nan 0.000 0.450 822 R N -1.187 119.294 120.500 -0.031 0.000 2.093 822 R HA 0.008 4.339 4.340 -0.014 0.000 0.224 822 R C 1.755 178.032 176.300 -0.038 0.000 1.101 822 R CA 1.423 57.512 56.100 -0.017 0.000 0.979 822 R CB -0.118 30.164 30.300 -0.030 0.000 0.877 822 R HN 0.652 nan 8.270 nan 0.000 0.441 823 E N -0.634 119.501 120.200 -0.109 0.000 2.473 823 E HA 0.147 4.488 4.350 -0.014 0.000 0.204 823 E C 1.263 177.820 176.600 -0.072 0.000 0.994 823 E CA 0.216 56.562 56.400 -0.090 0.000 0.945 823 E CB 0.697 30.316 29.700 -0.136 0.000 0.990 823 E HN 0.268 nan 8.360 nan 0.000 0.493 824 I N -1.377 119.115 120.570 -0.129 0.000 4.033 824 I HA 0.053 4.215 4.170 -0.014 0.000 0.296 824 I C 1.129 177.387 176.117 0.234 0.000 1.210 824 I CA 0.006 61.290 61.300 -0.026 0.000 1.341 824 I CB 0.325 38.169 38.000 -0.260 0.000 1.369 824 I HN 0.131 nan 8.210 nan 0.000 0.453 825 W N 1.462 122.856 121.300 0.156 0.000 2.872 825 W HA 0.397 5.049 4.660 -0.014 0.000 0.266 825 W C 1.451 178.012 176.519 0.069 0.000 1.276 825 W CA 0.605 58.024 57.345 0.124 0.000 1.471 825 W CB -0.729 28.790 29.460 0.097 0.000 1.071 825 W HN 0.272 nan 8.180 nan 0.000 0.619 826 G N 1.331 110.275 108.800 0.239 0.000 2.212 826 G HA2 -0.159 3.792 3.960 -0.014 0.000 0.255 826 G HA3 -0.159 3.792 3.960 -0.014 0.000 0.255 826 G C -0.602 174.376 174.900 0.130 0.000 1.062 826 G CA 0.110 45.294 45.100 0.141 0.000 0.815 826 G HN 0.024 nan 8.290 nan 0.000 0.497 827 V N -0.258 119.750 119.914 0.156 0.000 2.823 827 V HA 0.655 4.767 4.120 -0.014 0.000 0.312 827 V C -0.317 175.838 176.094 0.102 0.000 1.072 827 V CA -1.127 61.252 62.300 0.132 0.000 0.937 827 V CB 2.109 34.045 31.823 0.188 0.000 1.013 827 V HN 0.268 nan 8.190 nan 0.000 0.430 828 E N 4.779 125.024 120.200 0.074 0.000 2.113 828 E HA 0.357 4.698 4.350 -0.014 0.000 0.273 828 E C -2.455 174.180 176.600 0.058 0.000 0.924 828 E CA -1.994 54.440 56.400 0.058 0.000 0.764 828 E CB 1.788 31.515 29.700 0.045 0.000 1.104 828 E HN 0.445 nan 8.360 nan 0.000 0.406 829 P HA 0.008 nan 4.420 nan 0.000 0.261 829 P C -0.498 176.826 177.300 0.040 0.000 1.203 829 P CA 0.183 63.312 63.100 0.050 0.000 0.767 829 P CB 0.634 32.359 31.700 0.042 0.000 0.785 830 S N 3.300 119.025 115.700 0.042 0.000 2.638 830 S HA 0.610 5.072 4.470 -0.014 0.000 0.298 830 S C 0.304 174.922 174.600 0.031 0.000 1.111 830 S CA -0.880 57.341 58.200 0.036 0.000 1.027 830 S CB 1.379 64.604 63.200 0.041 0.000 1.064 830 S HN 0.537 nan 8.310 nan 0.000 0.525 831 R N 1.132 121.648 120.500 0.026 0.000 2.721 831 R HA 0.387 4.719 4.340 -0.014 0.000 0.272 831 R C -1.418 174.892 176.300 0.016 0.000 1.721 831 R CA -0.730 55.384 56.100 0.024 0.000 1.325 831 R CB 0.125 30.444 30.300 0.031 0.000 1.271 831 R HN 0.709 nan 8.270 nan 0.000 0.556 832 Q N 1.372 121.176 119.800 0.007 0.000 2.315 832 Q HA 0.509 4.840 4.340 -0.014 0.000 0.273 832 Q C -1.220 174.768 176.000 -0.019 0.000 1.053 832 Q CA -1.369 54.433 55.803 -0.001 0.000 0.817 832 Q CB 1.845 30.587 28.738 0.007 0.000 1.326 832 Q HN 0.232 nan 8.270 nan 0.000 0.423 833 R N 1.280 121.763 120.500 -0.028 0.000 2.484 833 R HA 0.193 4.524 4.340 -0.014 0.000 0.293 833 R C -0.519 175.748 176.300 -0.056 0.000 1.023 833 R CA -0.122 55.951 56.100 -0.046 0.000 1.037 833 R CB -0.047 30.226 30.300 -0.045 0.000 0.951 833 R HN 0.576 nan 8.270 nan 0.000 0.418 834 L N 5.710 126.881 121.223 -0.088 0.000 2.439 834 L HA 0.368 4.700 4.340 -0.014 0.000 0.261 834 L C -1.932 174.890 176.870 -0.081 0.000 1.153 834 L CA -1.937 52.827 54.840 -0.127 0.000 0.808 834 L CB 0.669 42.594 42.059 -0.222 0.000 1.126 834 L HN 0.532 nan 8.230 nan 0.000 0.460 835 P HA 0.137 nan 4.420 nan 0.000 0.265 835 P C -1.339 175.940 177.300 -0.034 0.000 1.193 835 P CA -0.062 63.019 63.100 -0.031 0.000 0.765 835 P CB 0.613 32.309 31.700 -0.007 0.000 0.823 836 A N 5.778 128.584 122.820 -0.024 0.000 2.328 836 A HA 0.377 4.688 4.320 -0.014 0.000 0.284 836 A C -1.370 176.212 177.584 -0.003 0.000 1.160 836 A CA -1.155 50.874 52.037 -0.014 0.000 0.818 836 A CB -0.181 18.812 19.000 -0.011 0.000 1.087 836 A HN 0.438 nan 8.150 nan 0.000 0.504 837 P HA -0.167 nan 4.420 nan 0.000 0.216 837 P C 0.727 178.032 177.300 0.007 0.000 1.150 837 P CA 1.314 64.417 63.100 0.004 0.000 0.837 837 P CB 0.143 31.847 31.700 0.007 0.000 0.786 838 D N -2.049 118.360 120.400 0.015 0.000 4.505 838 D HA -0.306 4.326 4.640 -0.014 0.000 0.264 838 D C 1.375 177.683 176.300 0.014 0.000 0.938 838 D CA 2.224 56.235 54.000 0.019 0.000 1.984 838 D CB -1.021 39.787 40.800 0.014 0.000 1.129 838 D HN 0.257 nan 8.370 nan 0.000 0.446 839 E N 1.335 121.538 120.200 0.006 0.000 2.329 839 E HA -0.009 4.333 4.350 -0.014 0.000 0.189 839 E C -0.098 176.499 176.600 -0.005 0.000 0.997 839 E CA 0.369 56.770 56.400 0.001 0.000 1.062 839 E CB 0.287 29.987 29.700 -0.000 0.000 1.260 839 E HN 0.328 nan 8.360 nan 0.000 0.490 840 K N 2.537 122.933 120.400 -0.007 0.000 2.464 840 K HA -0.137 4.174 4.320 -0.014 0.000 0.265 840 K C 0.235 176.826 176.600 -0.016 0.000 1.055 840 K CA 0.660 56.940 56.287 -0.011 0.000 1.161 840 K CB -0.738 31.756 32.500 -0.010 0.000 0.804 840 K HN 0.268 nan 8.250 nan 0.000 0.486 841 I N 1.366 121.924 120.570 -0.020 0.000 2.378 841 I HA 0.515 4.677 4.170 -0.014 0.000 0.291 841 I C -2.323 173.778 176.117 -0.027 0.000 0.992 841 I CA -2.370 58.915 61.300 -0.026 0.000 1.154 841 I CB 1.246 39.229 38.000 -0.029 0.000 1.315 841 I HN 0.604 nan 8.210 nan 0.000 0.448 842 P HA 0.000 nan 4.420 nan 0.000 0.216 842 P CA 0.000 63.081 63.100 -0.031 0.000 0.800 842 P CB 0.000 31.679 31.700 -0.036 0.000 0.726