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 3cut_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 FNLXXXNVGG DATA SEQUENCE YIQAVLDRNL AENISRVLYP NDNFFEGKEL RLKQEYFVVA ATLQDIIRRF DATA SEQUENCE KSSXXXXXXX XXTNFDAFPD KVAIQLNDTH PSLAIPELMR VLVDLERLDW DATA SEQUENCE DKAWEVTVKT CAYTNHTVLP 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 TVMIGGKAAP DATA SEQUENCE GYHMAKMIIK LITAIGDVVN HDPVVGDRLR VIFLENYRVS LAEKVIPAAD DATA SEQUENCE LSEQISTAGT EASGTGNMXF MLNGALTIGT MDGANVEMAE EAGEENFFIF DATA SEQUENCE GMRVEDVDRL DQRGYNAQEY YDRIPELRQI IEQLSSGFFS PKQPDLFKDI DATA SEQUENCE VNMLMHHDRF KVFADYEEYV KCQERVSALY KNPREWTRMV IRNIATSGKF DATA SEQUENCE SSDRTIAQYA REIWGVEPSR QRLPA 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 0.000 175.983 176.000 -0.028 0.000 1.003 12 Q CA 0.000 55.774 55.803 -0.048 0.000 1.022 12 Q CB 0.000 28.704 28.738 -0.056 0.000 1.108 13 I N -0.687 119.871 120.570 -0.020 0.000 2.607 13 I HA 0.533 4.694 4.170 -0.015 0.000 0.305 13 I C 0.943 177.059 176.117 -0.002 0.000 0.995 13 I CA -0.217 61.079 61.300 -0.006 0.000 1.148 13 I CB 1.916 39.917 38.000 0.001 0.000 1.323 13 I HN 0.224 nan 8.210 nan 0.000 0.461 14 S N 2.952 118.656 115.700 0.008 0.000 2.356 14 S HA -0.146 4.315 4.470 -0.015 0.000 0.223 14 S C 1.745 176.352 174.600 0.012 0.000 1.032 14 S CA 1.885 60.091 58.200 0.010 0.000 1.005 14 S CB -0.522 62.689 63.200 0.019 0.000 0.867 14 S HN 0.766 nan 8.310 nan 0.000 0.449 15 V N -0.012 119.916 119.914 0.023 0.000 3.078 15 V HA 0.148 4.259 4.120 -0.015 0.000 0.265 15 V C 1.794 177.899 176.094 0.018 0.000 1.122 15 V CA 1.237 63.552 62.300 0.026 0.000 1.141 15 V CB -1.002 30.843 31.823 0.037 0.000 0.735 15 V HN 0.356 nan 8.190 nan 0.000 0.498 16 R N 1.316 121.819 120.500 0.005 0.000 2.320 16 R HA 0.428 4.759 4.340 -0.015 0.000 0.211 16 R C 1.150 177.439 176.300 -0.018 0.000 0.931 16 R CA 0.544 56.641 56.100 -0.005 0.000 1.071 16 R CB -0.137 30.157 30.300 -0.010 0.000 1.025 16 R HN 0.774 nan 8.270 nan 0.000 0.495 17 G N 0.700 109.488 108.800 -0.019 0.000 2.796 17 G HA2 -0.229 3.722 3.960 -0.015 0.000 0.571 17 G HA3 -0.229 3.722 3.960 -0.015 0.000 0.571 17 G C -0.797 174.085 174.900 -0.029 0.000 1.370 17 G CA -1.071 44.009 45.100 -0.032 0.000 0.856 17 G HN -0.012 nan 8.290 nan 0.000 0.538 18 L N 0.390 121.593 121.223 -0.033 0.000 2.395 18 L HA 0.627 4.957 4.340 -0.015 0.000 0.269 18 L C 1.297 178.151 176.870 -0.027 0.000 1.133 18 L CA 0.529 55.353 54.840 -0.027 0.000 0.812 18 L CB 0.984 43.028 42.059 -0.025 0.000 1.125 18 L HN 1.524 nan 8.230 nan 0.000 0.452 19 A N 2.507 125.315 122.820 -0.021 0.000 3.158 19 A HA 0.559 4.870 4.320 -0.015 0.000 0.319 19 A C 0.716 178.294 177.584 -0.010 0.000 1.204 19 A CA -0.353 51.674 52.037 -0.017 0.000 0.992 19 A CB -0.393 18.596 19.000 -0.018 0.000 1.110 19 A HN 0.790 nan 8.150 nan 0.000 0.519 20 G N -0.113 108.681 108.800 -0.009 0.000 2.398 20 G HA2 0.341 4.292 3.960 -0.015 0.000 0.246 20 G HA3 0.341 4.292 3.960 -0.015 0.000 0.246 20 G C 1.049 175.951 174.900 0.004 0.000 1.289 20 G CA -0.038 45.060 45.100 -0.003 0.000 0.869 20 G HN 0.436 nan 8.290 nan 0.000 0.543 21 V N 1.989 121.906 119.914 0.006 0.000 2.278 21 V HA -0.269 3.842 4.120 -0.015 0.000 0.251 21 V C 2.620 178.723 176.094 0.014 0.000 1.062 21 V CA 2.594 64.900 62.300 0.010 0.000 1.038 21 V CB -0.569 31.260 31.823 0.009 0.000 0.646 21 V HN 0.921 nan 8.190 nan 0.000 0.447 22 E N -0.300 119.909 120.200 0.015 0.000 2.072 22 E HA -0.182 4.159 4.350 -0.015 0.000 0.190 22 E C 2.074 178.692 176.600 0.030 0.000 0.982 22 E CA 1.175 57.588 56.400 0.021 0.000 0.803 22 E CB -0.061 29.650 29.700 0.018 0.000 0.755 22 E HN 0.639 nan 8.360 nan 0.000 0.453 23 N N -0.498 118.218 118.700 0.026 0.000 2.120 23 N HA -0.145 4.586 4.740 -0.015 0.000 0.188 23 N C 1.644 177.177 175.510 0.039 0.000 1.024 23 N CA 1.113 54.183 53.050 0.033 0.000 0.852 23 N CB 0.035 38.526 38.487 0.008 0.000 1.003 23 N HN -0.026 nan 8.380 nan 0.000 0.424 24 V N 0.021 119.950 119.914 0.026 0.000 2.343 24 V HA -0.220 3.891 4.120 -0.015 0.000 0.247 24 V C 2.044 178.159 176.094 0.035 0.000 1.051 24 V CA 1.819 64.134 62.300 0.026 0.000 1.036 24 V CB -0.884 30.950 31.823 0.017 0.000 0.654 24 V HN 0.399 nan 8.190 nan 0.000 0.451 25 T N -0.510 114.064 114.554 0.034 0.000 2.746 25 T HA -0.222 4.119 4.350 -0.015 0.000 0.267 25 T C 1.927 176.660 174.700 0.054 0.000 1.039 25 T CA 1.856 63.977 62.100 0.036 0.000 1.142 25 T CB -0.173 68.712 68.868 0.028 0.000 0.866 25 T HN 0.530 nan 8.240 nan 0.000 0.444 26 E N 0.968 121.207 120.200 0.065 0.000 2.077 26 E HA -0.044 4.297 4.350 -0.015 0.000 0.193 26 E C 2.061 178.736 176.600 0.125 0.000 0.989 26 E CA 0.951 57.403 56.400 0.087 0.000 0.800 26 E CB -0.503 29.254 29.700 0.096 0.000 0.746 26 E HN 0.435 nan 8.360 nan 0.000 0.452 27 L N 0.215 121.521 121.223 0.137 0.000 2.012 27 L HA -0.220 4.110 4.340 -0.015 0.000 0.210 27 L C 2.512 179.490 176.870 0.180 0.000 1.073 27 L CA 1.692 56.638 54.840 0.177 0.000 0.748 27 L CB -0.404 41.734 42.059 0.132 0.000 0.891 27 L HN 0.088 nan 8.230 nan 0.000 0.431 28 K N 0.412 120.877 120.400 0.108 0.000 2.063 28 K HA -0.211 4.100 4.320 -0.015 0.000 0.208 28 K C 2.121 178.818 176.600 0.160 0.000 1.048 28 K CA 1.756 58.096 56.287 0.088 0.000 0.928 28 K CB -0.095 32.418 32.500 0.021 0.000 0.713 28 K HN 0.396 nan 8.250 nan 0.000 0.442 29 K N 0.109 120.587 120.400 0.130 0.000 2.167 29 K HA -0.017 4.294 4.320 -0.015 0.000 0.203 29 K C 1.487 178.173 176.600 0.144 0.000 1.052 29 K CA 1.141 57.501 56.287 0.121 0.000 0.956 29 K CB -0.024 32.521 32.500 0.075 0.000 0.735 29 K HN 0.015 nan 8.250 nan 0.000 0.451 30 N N 0.467 119.264 118.700 0.162 0.000 2.270 30 N HA -0.095 4.636 4.740 -0.015 0.000 0.181 30 N C 1.575 177.238 175.510 0.256 0.000 1.016 30 N CA 0.827 53.968 53.050 0.151 0.000 0.870 30 N CB -0.190 38.389 38.487 0.153 0.000 0.979 30 N HN 0.195 nan 8.380 nan 0.000 0.431 31 F N 2.613 122.662 119.950 0.165 0.000 2.102 31 F HA -0.110 4.408 4.527 -0.015 0.000 0.298 31 F C 2.044 177.948 175.800 0.174 0.000 1.105 31 F CA 1.301 59.411 58.000 0.184 0.000 1.239 31 F CB -0.071 39.008 39.000 0.133 0.000 0.991 31 F HN -0.024 nan 8.300 nan 0.000 0.474 32 N N 0.344 119.273 118.700 0.382 0.000 2.216 32 N HA -0.161 4.570 4.740 -0.015 0.000 0.183 32 N C 2.018 177.622 175.510 0.156 0.000 1.017 32 N CA 0.998 54.199 53.050 0.253 0.000 0.861 32 N CB -0.510 38.100 38.487 0.205 0.000 0.986 32 N HN 0.368 nan 8.380 nan 0.000 0.428 33 R N 0.400 120.991 120.500 0.153 0.000 2.073 33 R HA -0.111 4.220 4.340 -0.015 0.000 0.234 33 R C 1.802 178.203 176.300 0.168 0.000 1.134 33 R CA 1.516 57.737 56.100 0.201 0.000 0.952 33 R CB -0.232 30.110 30.300 0.070 0.000 0.850 33 R HN 0.370 nan 8.270 nan 0.000 0.433 34 H N -0.397 118.719 119.070 0.078 0.000 2.389 34 H HA -0.124 4.423 4.556 -0.015 0.000 0.299 34 H C 1.916 177.183 175.328 -0.102 0.000 1.081 34 H CA 1.455 57.479 56.048 -0.040 0.000 1.345 34 H CB 0.073 29.770 29.762 -0.109 0.000 1.393 34 H HN 0.138 nan 8.280 nan 0.000 0.520 35 L N -0.098 121.117 121.223 -0.013 0.000 2.046 35 L HA -0.196 4.135 4.340 -0.015 0.000 0.208 35 L C 2.211 179.068 176.870 -0.021 0.000 1.077 35 L CA 1.868 56.672 54.840 -0.059 0.000 0.747 35 L CB -0.395 41.640 42.059 -0.039 0.000 0.896 35 L HN 0.297 nan 8.230 nan 0.000 0.432 36 H N -1.657 117.345 119.070 -0.114 0.000 2.276 36 H HA -0.059 4.488 4.556 -0.015 0.000 0.307 36 H C 1.803 176.944 175.328 -0.312 0.000 1.061 36 H CA 2.269 58.157 56.048 -0.266 0.000 1.336 36 H CB -0.307 29.207 29.762 -0.414 0.000 1.396 36 H HN 0.295 nan 8.280 nan 0.000 0.503 37 F N -0.397 119.529 119.950 -0.040 0.000 2.293 37 F HA -0.031 4.487 4.527 -0.015 0.000 0.297 37 F C 2.557 178.278 175.800 -0.132 0.000 1.089 37 F CA 1.437 59.369 58.000 -0.113 0.000 1.377 37 F CB -0.322 38.644 39.000 -0.056 0.000 1.051 37 F HN 0.189 nan 8.300 nan 0.000 0.511 38 T N -0.284 114.299 114.554 0.048 0.000 2.983 38 T HA 0.097 4.438 4.350 -0.015 0.000 0.250 38 T C 1.964 176.571 174.700 -0.155 0.000 1.037 38 T CA 0.748 62.805 62.100 -0.071 0.000 1.142 38 T CB -0.207 68.589 68.868 -0.120 0.000 0.876 38 T HN 0.108 nan 8.240 nan 0.000 0.455 39 L N 1.167 122.301 121.223 -0.149 0.000 2.477 39 L HA 0.199 4.530 4.340 -0.015 0.000 0.220 39 L C 0.375 177.151 176.870 -0.156 0.000 1.106 39 L CA -0.057 54.684 54.840 -0.165 0.000 0.851 39 L CB -0.041 41.929 42.059 -0.147 0.000 0.994 39 L HN -0.013 nan 8.230 nan 0.000 0.462 40 V N 0.581 120.386 119.914 -0.181 0.000 6.078 40 V HA -0.270 3.841 4.120 -0.015 0.000 0.301 40 V C -0.068 175.923 176.094 -0.171 0.000 0.571 40 V CA 1.081 63.250 62.300 -0.218 0.000 0.625 40 V CB -2.204 29.514 31.823 -0.174 0.000 0.271 40 V HN 0.409 nan 8.190 nan 0.000 0.788 41 K N 1.346 121.655 120.400 -0.152 0.000 2.480 41 K HA 0.695 5.006 4.320 -0.015 0.000 0.258 41 K C -0.431 176.145 176.600 -0.040 0.000 0.990 41 K CA -0.533 55.698 56.287 -0.094 0.000 0.857 41 K CB 2.902 35.346 32.500 -0.093 0.000 1.384 41 K HN 0.577 nan 8.250 nan 0.000 0.446 42 D N -0.133 120.264 120.400 -0.004 0.000 2.450 42 D HA 0.277 4.908 4.640 -0.015 0.000 0.238 42 D C 0.499 176.835 176.300 0.060 0.000 1.020 42 D CA -0.546 53.485 54.000 0.052 0.000 1.010 42 D CB 1.236 42.069 40.800 0.055 0.000 1.342 42 D HN 0.123 nan 8.370 nan 0.000 0.530 43 R N 0.137 120.699 120.500 0.103 0.000 2.303 43 R HA -0.050 4.281 4.340 -0.015 0.000 0.225 43 R C 1.004 177.373 176.300 0.115 0.000 1.114 43 R CA 0.602 56.797 56.100 0.158 0.000 1.007 43 R CB -0.664 29.733 30.300 0.162 0.000 0.861 43 R HN 0.509 nan 8.270 nan 0.000 0.471 44 N N -0.041 118.698 118.700 0.064 0.000 2.416 44 N HA -0.066 4.665 4.740 -0.015 0.000 0.177 44 N C 1.582 177.109 175.510 0.028 0.000 1.036 44 N CA 1.100 54.178 53.050 0.046 0.000 0.901 44 N CB 0.349 38.854 38.487 0.031 0.000 0.976 44 N HN 0.192 nan 8.380 nan 0.000 0.444 45 V N -2.609 117.310 119.914 0.008 0.000 3.645 45 V HA 0.488 4.598 4.120 -0.015 0.000 0.275 45 V C 0.925 176.986 176.094 -0.055 0.000 1.356 45 V CA -0.517 61.773 62.300 -0.016 0.000 1.051 45 V CB -0.486 31.323 31.823 -0.023 0.000 0.828 45 V HN 0.046 nan 8.190 nan 0.000 0.441 46 A N 2.443 125.208 122.820 -0.091 0.000 2.520 46 A HA 0.520 4.831 4.320 -0.015 0.000 0.245 46 A C 0.783 178.181 177.584 -0.310 0.000 1.072 46 A CA 0.878 52.752 52.037 -0.272 0.000 0.761 46 A CB -0.272 18.458 19.000 -0.449 0.000 1.004 46 A HN 0.768 nan 8.150 nan 0.000 0.499 47 T N 0.441 114.811 114.554 -0.305 0.000 2.936 47 T HA 0.571 4.912 4.350 -0.015 0.000 0.282 47 T C -2.088 172.494 174.700 -0.197 0.000 1.003 47 T CA -1.745 60.256 62.100 -0.164 0.000 1.005 47 T CB 1.119 69.950 68.868 -0.062 0.000 1.097 47 T HN 0.254 nan 8.240 nan 0.000 0.532 48 P HA -0.110 nan 4.420 nan 0.000 0.216 48 P C 1.627 179.032 177.300 0.174 0.000 1.150 48 P CA 0.997 64.225 63.100 0.214 0.000 0.843 48 P CB 0.048 31.846 31.700 0.164 0.000 0.787 49 R N 0.085 120.636 120.500 0.084 0.000 2.081 49 R HA -0.149 4.182 4.340 -0.015 0.000 0.235 49 R C 1.701 178.168 176.300 0.279 0.000 1.131 49 R CA 1.914 58.103 56.100 0.148 0.000 0.960 49 R CB -0.751 29.570 30.300 0.035 0.000 0.856 49 R HN 0.099 nan 8.270 nan 0.000 0.436 50 D N -0.352 120.100 120.400 0.086 0.000 2.149 50 D HA -0.203 4.428 4.640 -0.015 0.000 0.198 50 D C 1.743 178.076 176.300 0.055 0.000 0.990 50 D CA 1.351 55.360 54.000 0.014 0.000 0.839 50 D CB -0.317 40.353 40.800 -0.216 0.000 0.948 50 D HN 0.325 nan 8.370 nan 0.000 0.460 51 Y N 0.080 120.490 120.300 0.184 0.000 2.200 51 Y HA -0.187 4.354 4.550 -0.015 0.000 0.290 51 Y C 2.332 178.377 175.900 0.241 0.000 1.137 51 Y CA 0.166 58.420 58.100 0.256 0.000 1.163 51 Y CB -1.209 37.456 38.460 0.341 0.000 0.988 51 Y HN 0.065 nan 8.280 nan 0.000 0.518 52 Y N -0.356 120.095 120.300 0.251 0.000 2.114 52 Y HA -0.318 4.223 4.550 -0.015 0.000 0.282 52 Y C 2.022 177.912 175.900 -0.016 0.000 1.165 52 Y CA 1.411 59.555 58.100 0.074 0.000 1.148 52 Y CB -1.177 37.225 38.460 -0.097 0.000 0.972 52 Y HN 0.062 nan 8.280 nan 0.000 0.504 53 F N 0.040 119.783 119.950 -0.344 0.000 2.171 53 F HA -0.138 4.380 4.527 -0.015 0.000 0.300 53 F C 2.636 178.265 175.800 -0.286 0.000 1.090 53 F CA 1.279 59.013 58.000 -0.443 0.000 1.293 53 F CB -0.738 38.177 39.000 -0.142 0.000 1.013 53 F HN 0.204 nan 8.300 nan 0.000 0.486 54 A N -0.229 122.535 122.820 -0.094 0.000 1.898 54 A HA -0.166 4.145 4.320 -0.015 0.000 0.216 54 A C 2.034 179.477 177.584 -0.235 0.000 1.181 54 A CA 1.408 53.261 52.037 -0.308 0.000 0.620 54 A CB -0.994 17.525 19.000 -0.801 0.000 0.819 54 A HN 0.333 nan 8.150 nan 0.000 0.442 55 L N -0.054 121.149 121.223 -0.033 0.000 1.994 55 L HA -0.091 4.240 4.340 -0.015 0.000 0.208 55 L C 2.725 179.591 176.870 -0.007 0.000 1.071 55 L CA 2.288 57.249 54.840 0.201 0.000 0.745 55 L CB -1.024 41.227 42.059 0.320 0.000 0.892 55 L HN 0.360 nan 8.230 nan 0.000 0.431 56 A N -1.273 121.375 122.820 -0.286 0.000 1.892 56 A HA -0.318 3.993 4.320 -0.015 0.000 0.218 56 A C 2.175 179.433 177.584 -0.543 0.000 1.188 56 A CA 2.203 53.950 52.037 -0.482 0.000 0.631 56 A CB -1.190 17.198 19.000 -1.020 0.000 0.822 56 A HN 0.702 nan 8.150 nan 0.000 0.447 57 H N -0.896 117.873 119.070 -0.501 0.000 2.387 57 H HA -0.059 4.488 4.556 -0.015 0.000 0.299 57 H C 2.362 177.437 175.328 -0.421 0.000 1.090 57 H CA 1.978 57.660 56.048 -0.611 0.000 1.332 57 H CB -0.142 29.011 29.762 -1.015 0.000 1.386 57 H HN 0.487 nan 8.280 nan 0.000 0.516 58 T N -0.342 114.176 114.554 -0.060 0.000 2.746 58 T HA -0.129 4.212 4.350 -0.015 0.000 0.267 58 T C 2.241 177.099 174.700 0.264 0.000 1.039 58 T CA 1.339 63.570 62.100 0.219 0.000 1.142 58 T CB -0.360 68.700 68.868 0.320 0.000 0.866 58 T HN 0.100 nan 8.240 nan 0.000 0.444 59 V N 1.583 121.632 119.914 0.224 0.000 2.358 59 V HA -0.114 3.997 4.120 -0.015 0.000 0.246 59 V C 2.604 178.878 176.094 0.300 0.000 1.047 59 V CA 1.565 64.047 62.300 0.302 0.000 1.035 59 V CB -0.658 31.332 31.823 0.279 0.000 0.658 59 V HN 0.373 nan 8.190 nan 0.000 0.452 60 R N 0.374 120.991 120.500 0.194 0.000 2.117 60 R HA -0.235 4.096 4.340 -0.015 0.000 0.243 60 R C 1.965 178.358 176.300 0.155 0.000 1.143 60 R CA 2.188 58.392 56.100 0.173 0.000 0.968 60 R CB -0.473 29.773 30.300 -0.089 0.000 0.863 60 R HN 0.477 nan 8.270 nan 0.000 0.444 61 D N -0.062 120.409 120.400 0.118 0.000 2.158 61 D HA -0.189 4.442 4.640 -0.015 0.000 0.197 61 D C 1.772 178.064 176.300 -0.014 0.000 0.995 61 D CA 1.221 55.254 54.000 0.055 0.000 0.846 61 D CB -0.434 40.379 40.800 0.022 0.000 0.941 61 D HN 0.488 nan 8.370 nan 0.000 0.456 62 H N -0.165 118.970 119.070 0.109 0.000 2.491 62 H HA 0.020 4.567 4.556 -0.015 0.000 0.290 62 H C 2.334 177.706 175.328 0.073 0.000 1.050 62 H CA 0.413 56.508 56.048 0.080 0.000 1.309 62 H CB 0.132 29.932 29.762 0.064 0.000 1.392 62 H HN 0.208 nan 8.280 nan 0.000 0.554 63 L N -0.128 121.208 121.223 0.188 0.000 2.109 63 L HA -0.117 4.214 4.340 -0.015 0.000 0.207 63 L C 2.612 179.598 176.870 0.194 0.000 1.086 63 L CA 0.312 55.233 54.840 0.135 0.000 0.760 63 L CB -0.204 41.907 42.059 0.086 0.000 0.910 63 L HN 0.028 nan 8.230 nan 0.000 0.437 64 V N 0.279 120.320 119.914 0.211 0.000 2.255 64 V HA -0.274 3.837 4.120 -0.015 0.000 0.247 64 V C 2.622 178.823 176.094 0.179 0.000 1.051 64 V CA 2.193 64.643 62.300 0.249 0.000 1.018 64 V CB -1.319 30.602 31.823 0.164 0.000 0.641 64 V HN 0.584 nan 8.190 nan 0.000 0.445 65 G N -0.347 108.518 108.800 0.107 0.000 2.446 65 G HA2 -0.269 3.682 3.960 -0.015 0.000 0.217 65 G HA3 -0.269 3.682 3.960 -0.015 0.000 0.217 65 G C 1.735 176.680 174.900 0.074 0.000 1.168 65 G CA 0.939 46.079 45.100 0.066 0.000 0.771 65 G HN 0.461 nan 8.290 nan 0.000 0.551 66 R N -1.482 119.073 120.500 0.092 0.000 2.092 66 R HA -0.048 4.283 4.340 -0.015 0.000 0.231 66 R C 2.244 178.622 176.300 0.130 0.000 1.119 66 R CA 1.095 57.237 56.100 0.069 0.000 0.970 66 R CB -0.346 29.979 30.300 0.042 0.000 0.864 66 R HN 0.484 nan 8.270 nan 0.000 0.440 67 W N 1.516 122.794 121.300 -0.037 0.000 2.379 67 W HA -0.044 4.607 4.660 -0.015 0.000 0.307 67 W C 1.662 178.151 176.519 -0.050 0.000 1.200 67 W CA 0.885 58.205 57.345 -0.042 0.000 1.297 67 W CB -0.550 28.902 29.460 -0.012 0.000 1.140 67 W HN -0.047 nan 8.180 nan 0.000 0.507 68 I N 1.061 121.674 120.570 0.071 0.000 2.286 68 I HA -0.324 3.837 4.170 -0.015 0.000 0.248 68 I C 2.676 178.770 176.117 -0.038 0.000 1.115 68 I CA 1.942 63.201 61.300 -0.068 0.000 1.392 68 I CB -0.637 37.327 38.000 -0.060 0.000 1.065 68 I HN 0.011 nan 8.210 nan 0.000 0.418 69 R N 0.461 120.957 120.500 -0.008 0.000 2.119 69 R HA -0.039 4.292 4.340 -0.015 0.000 0.222 69 R C 1.904 178.163 176.300 -0.068 0.000 1.088 69 R CA 1.406 57.492 56.100 -0.024 0.000 0.984 69 R CB -0.973 29.315 30.300 -0.021 0.000 0.884 69 R HN 0.139 nan 8.270 nan 0.000 0.447 70 T N 1.713 116.206 114.554 -0.102 0.000 2.674 70 T HA -0.114 4.227 4.350 -0.015 0.000 0.265 70 T C 1.810 176.243 174.700 -0.446 0.000 1.039 70 T CA 1.419 63.346 62.100 -0.289 0.000 1.150 70 T CB -0.148 68.596 68.868 -0.206 0.000 0.864 70 T HN 0.231 nan 8.240 nan 0.000 0.427 71 Q N 1.241 120.932 119.800 -0.182 0.000 2.124 71 Q HA -0.152 4.179 4.340 -0.015 0.000 0.202 71 Q C 2.529 178.537 176.000 0.014 0.000 0.977 71 Q CA 1.512 57.282 55.803 -0.055 0.000 0.850 71 Q CB -0.595 28.133 28.738 -0.016 0.000 0.901 71 Q HN 0.828 nan 8.270 nan 0.000 0.429 72 Q N -0.492 119.305 119.800 -0.004 0.000 2.119 72 Q HA -0.226 4.105 4.340 -0.015 0.000 0.201 72 Q C 1.856 177.934 176.000 0.130 0.000 0.972 72 Q CA 1.723 57.568 55.803 0.070 0.000 0.847 72 Q CB -0.581 28.178 28.738 0.036 0.000 0.903 72 Q HN 0.465 nan 8.270 nan 0.000 0.433 73 H N -0.048 118.989 119.070 -0.054 0.000 2.352 73 H HA -0.191 4.356 4.556 -0.015 0.000 0.299 73 H C 1.198 176.573 175.328 0.078 0.000 1.097 73 H CA 2.281 58.302 56.048 -0.044 0.000 1.311 73 H CB -0.197 29.471 29.762 -0.156 0.000 1.377 73 H HN 0.359 nan 8.280 nan 0.000 0.504 74 Y N -1.270 119.081 120.300 0.085 0.000 2.293 74 Y HA -0.158 4.382 4.550 -0.015 0.000 0.291 74 Y C 2.314 178.250 175.900 0.060 0.000 1.137 74 Y CA 0.970 59.091 58.100 0.036 0.000 1.202 74 Y CB -1.192 37.338 38.460 0.117 0.000 0.990 74 Y HN 0.363 nan 8.280 nan 0.000 0.537 75 Y N 1.148 121.524 120.300 0.128 0.000 2.242 75 Y HA -0.145 4.396 4.550 -0.015 0.000 0.291 75 Y C 2.068 177.975 175.900 0.011 0.000 1.137 75 Y CA 1.469 59.609 58.100 0.066 0.000 1.181 75 Y CB 0.004 38.495 38.460 0.052 0.000 0.989 75 Y HN -0.006 nan 8.280 nan 0.000 0.527 76 E N 0.540 120.731 120.200 -0.015 0.000 2.016 76 E HA -0.157 4.184 4.350 -0.015 0.000 0.190 76 E C 2.049 178.553 176.600 -0.159 0.000 0.985 76 E CA 1.318 57.649 56.400 -0.115 0.000 0.802 76 E CB -0.345 29.329 29.700 -0.042 0.000 0.762 76 E HN 0.453 nan 8.360 nan 0.000 0.448 77 K N 0.661 120.948 120.400 -0.188 0.000 2.288 77 K HA -0.099 4.211 4.320 -0.015 0.000 0.201 77 K C -0.010 176.528 176.600 -0.104 0.000 1.048 77 K CA 0.598 56.783 56.287 -0.170 0.000 0.956 77 K CB -0.088 32.246 32.500 -0.277 0.000 0.746 77 K HN 0.040 nan 8.250 nan 0.000 0.461 78 D N 0.850 121.202 120.400 -0.080 0.000 2.735 78 D HA -0.100 4.531 4.640 -0.015 0.000 0.235 78 D C -2.412 173.866 176.300 -0.037 0.000 1.175 78 D CA 0.091 54.058 54.000 -0.055 0.000 0.683 78 D CB -0.091 40.649 40.800 -0.099 0.000 1.008 78 D HN 0.176 nan 8.370 nan 0.000 0.416 79 P HA 0.120 nan 4.420 nan 0.000 0.277 79 P C -0.134 177.132 177.300 -0.056 0.000 1.271 79 P CA -0.628 62.446 63.100 -0.043 0.000 0.795 79 P CB 0.616 32.282 31.700 -0.056 0.000 1.101 80 K N 1.172 121.542 120.400 -0.051 0.000 2.451 80 K HA 0.028 4.339 4.320 -0.015 0.000 0.280 80 K C 0.145 176.666 176.600 -0.132 0.000 1.020 80 K CA -0.070 56.179 56.287 -0.063 0.000 1.008 80 K CB 0.282 32.760 32.500 -0.036 0.000 0.917 80 K HN 0.296 nan 8.250 nan 0.000 0.478 81 R N 4.358 124.766 120.500 -0.153 0.000 2.368 81 R HA 0.353 4.684 4.340 -0.015 0.000 0.302 81 R C -0.201 175.842 176.300 -0.429 0.000 1.002 81 R CA -0.832 55.095 56.100 -0.288 0.000 0.929 81 R CB 0.772 30.908 30.300 -0.273 0.000 1.073 81 R HN 0.497 nan 8.270 nan 0.000 0.464 82 I N 3.651 123.906 120.570 -0.526 0.000 2.339 82 I HA 0.266 4.427 4.170 -0.015 0.000 0.290 82 I C -0.460 175.357 176.117 -0.501 0.000 0.994 82 I CA -1.084 59.864 61.300 -0.587 0.000 1.191 82 I CB 0.546 38.070 38.000 -0.793 0.000 1.343 82 I HN 0.435 nan 8.210 nan 0.000 0.458 83 Y N 5.913 126.172 120.300 -0.069 0.000 2.356 83 Y HA 0.294 4.835 4.550 -0.015 0.000 0.334 83 Y C -0.302 175.688 175.900 0.150 0.000 0.958 83 Y CA -0.706 57.469 58.100 0.125 0.000 1.196 83 Y CB 1.121 39.609 38.460 0.046 0.000 1.137 83 Y HN 0.411 nan 8.280 nan 0.000 0.485 84 Y N 4.581 125.051 120.300 0.283 0.000 2.454 84 Y HA 0.488 5.029 4.550 -0.015 0.000 0.345 84 Y C -1.268 174.886 175.900 0.423 0.000 0.970 84 Y CA -0.936 57.339 58.100 0.292 0.000 1.204 84 Y CB 0.302 38.932 38.460 0.284 0.000 1.122 84 Y HN 0.513 nan 8.280 nan 0.000 0.514 85 L N 5.128 126.389 121.223 0.063 0.000 2.265 85 L HA 0.486 4.817 4.340 -0.015 0.000 0.288 85 L C -0.203 176.674 176.870 0.013 0.000 1.058 85 L CA 0.144 55.082 54.840 0.162 0.000 0.809 85 L CB 1.328 43.452 42.059 0.109 0.000 1.179 85 L HN 0.579 nan 8.230 nan 0.000 0.429 86 S N 2.643 118.430 115.700 0.145 0.000 2.541 86 S HA 0.491 4.952 4.470 -0.015 0.000 0.271 86 S C 0.318 174.985 174.600 0.112 0.000 1.133 86 S CA -0.629 57.550 58.200 -0.036 0.000 0.876 86 S CB 1.057 63.999 63.200 -0.430 0.000 1.105 86 S HN 0.498 nan 8.310 nan 0.000 0.470 87 L N 2.251 123.578 121.223 0.173 0.000 2.558 87 L HA 0.381 4.712 4.340 -0.015 0.000 0.225 87 L C 0.142 177.199 176.870 0.311 0.000 1.128 87 L CA 1.110 56.127 54.840 0.294 0.000 0.868 87 L CB -0.629 41.623 42.059 0.321 0.000 1.006 87 L HN 0.701 nan 8.230 nan 0.000 0.454 88 E N -0.740 119.509 120.200 0.081 0.000 2.275 88 E HA 0.386 4.726 4.350 -0.015 0.000 0.270 88 E C -1.536 174.937 176.600 -0.211 0.000 0.882 88 E CA -0.374 56.063 56.400 0.062 0.000 0.758 88 E CB 2.062 31.780 29.700 0.030 0.000 1.195 88 E HN -0.149 nan 8.360 nan 0.000 0.419 89 F N 2.201 122.257 119.950 0.178 0.000 2.716 89 F HA 0.183 4.701 4.527 -0.016 0.000 0.354 89 F C -0.783 175.100 175.800 0.138 0.000 1.168 89 F CA -0.806 57.284 58.000 0.150 0.000 1.045 89 F CB 1.011 40.089 39.000 0.129 0.000 1.311 89 F HN 0.487 nan 8.300 nan 0.000 0.477 90 Y N 5.335 125.709 120.300 0.123 0.000 2.714 90 Y HA 0.238 4.780 4.550 -0.015 0.000 0.333 90 Y C 0.889 176.799 175.900 0.016 0.000 1.220 90 Y CA -1.102 57.017 58.100 0.032 0.000 1.513 90 Y CB 0.328 38.790 38.460 0.003 0.000 1.435 90 Y HN 0.562 nan 8.280 nan 0.000 0.489 91 M N 1.386 121.107 119.600 0.201 0.000 2.288 91 M HA 0.109 4.580 4.480 -0.015 0.000 0.266 91 M C 1.585 177.847 176.300 -0.062 0.000 1.072 91 M CA 1.092 56.416 55.300 0.040 0.000 1.132 91 M CB -1.220 31.379 32.600 -0.002 0.000 1.386 91 M HN 0.688 nan 8.290 nan 0.000 0.432 92 G N 1.293 110.066 108.800 -0.045 0.000 2.569 92 G HA2 -0.277 3.674 3.960 -0.015 0.000 0.259 92 G HA3 -0.277 3.674 3.960 -0.015 0.000 0.259 92 G C -0.220 174.620 174.900 -0.100 0.000 1.263 92 G CA -0.279 44.757 45.100 -0.107 0.000 0.928 92 G HN 0.455 nan 8.290 nan 0.000 0.572 93 R N -0.615 119.808 120.500 -0.129 0.000 2.531 93 R HA 0.543 4.874 4.340 -0.015 0.000 0.273 93 R C 0.955 177.124 176.300 -0.219 0.000 1.070 93 R CA 0.314 56.344 56.100 -0.115 0.000 1.112 93 R CB 0.646 30.889 30.300 -0.096 0.000 1.049 93 R HN 0.528 nan 8.270 nan 0.000 0.508 94 T N 1.069 115.440 114.554 -0.305 0.000 2.969 94 T HA -0.006 4.335 4.350 -0.015 0.000 0.250 94 T C 1.454 175.753 174.700 -0.668 0.000 1.021 94 T CA -0.157 61.549 62.100 -0.656 0.000 1.003 94 T CB 0.149 68.248 68.868 -1.281 0.000 1.040 94 T HN 0.321 nan 8.240 nan 0.000 0.492 95 L N 1.875 122.940 121.223 -0.263 0.000 1.976 95 L HA -0.006 4.325 4.340 -0.015 0.000 0.209 95 L C 2.474 179.307 176.870 -0.061 0.000 1.071 95 L CA 1.998 56.845 54.840 0.012 0.000 0.746 95 L CB -0.638 41.631 42.059 0.350 0.000 0.890 95 L HN 0.162 nan 8.230 nan 0.000 0.432 96 Q N -0.748 119.013 119.800 -0.066 0.000 2.084 96 Q HA -0.252 4.079 4.340 -0.015 0.000 0.202 96 Q C 2.228 178.154 176.000 -0.124 0.000 0.978 96 Q CA 1.819 57.577 55.803 -0.075 0.000 0.844 96 Q CB -0.297 28.393 28.738 -0.080 0.000 0.898 96 Q HN 0.676 nan 8.270 nan 0.000 0.426 97 N N -0.907 117.678 118.700 -0.193 0.000 2.149 97 N HA -0.144 4.586 4.740 -0.015 0.000 0.188 97 N C 1.356 176.754 175.510 -0.187 0.000 1.019 97 N CA 1.773 54.700 53.050 -0.206 0.000 0.857 97 N CB 0.079 38.408 38.487 -0.263 0.000 0.997 97 N HN 0.216 nan 8.380 nan 0.000 0.426 98 T N 1.267 115.677 114.554 -0.240 0.000 2.777 98 T HA -0.043 4.297 4.350 -0.015 0.000 0.266 98 T C 2.096 176.736 174.700 -0.099 0.000 1.040 98 T CA 0.998 62.979 62.100 -0.199 0.000 1.141 98 T CB -0.056 68.652 68.868 -0.267 0.000 0.868 98 T HN 0.249 nan 8.240 nan 0.000 0.444 99 M N 0.647 120.206 119.600 -0.069 0.000 2.086 99 M HA -0.104 4.367 4.480 -0.015 0.000 0.261 99 M C 2.501 178.770 176.300 -0.052 0.000 1.067 99 M CA 1.356 56.630 55.300 -0.043 0.000 1.116 99 M CB -0.710 31.880 32.600 -0.016 0.000 1.348 99 M HN 0.096 nan 8.290 nan 0.000 0.407 100 V N 0.976 120.864 119.914 -0.044 0.000 2.287 100 V HA -0.288 3.823 4.120 -0.015 0.000 0.248 100 V C 1.819 177.924 176.094 0.019 0.000 1.053 100 V CA 1.967 64.265 62.300 -0.004 0.000 1.027 100 V CB -0.907 30.914 31.823 -0.004 0.000 0.646 100 V HN 0.481 nan 8.190 nan 0.000 0.447 101 N N -0.504 118.192 118.700 -0.006 0.000 2.459 101 N HA -0.026 4.705 4.740 -0.015 0.000 0.181 101 N C 1.133 176.556 175.510 -0.144 0.000 1.046 101 N CA 0.699 53.737 53.050 -0.021 0.000 0.904 101 N CB -0.038 38.440 38.487 -0.016 0.000 0.964 101 N HN 0.293 nan 8.380 nan 0.000 0.444 102 L N -0.271 120.881 121.223 -0.119 0.000 2.616 102 L HA 0.396 4.727 4.340 -0.015 0.000 0.229 102 L C 0.568 177.353 176.870 -0.141 0.000 1.110 102 L CA -0.147 54.618 54.840 -0.125 0.000 0.884 102 L CB -0.637 41.369 42.059 -0.088 0.000 1.115 102 L HN 0.096 nan 8.230 nan 0.000 0.481 103 A N -0.503 122.235 122.820 -0.136 0.000 2.914 103 A HA -0.197 4.114 4.320 -0.015 0.000 0.280 103 A C 0.940 178.465 177.584 -0.098 0.000 1.447 103 A CA 0.836 52.803 52.037 -0.117 0.000 0.759 103 A CB -1.949 16.968 19.000 -0.139 0.000 1.034 103 A HN 0.183 nan 8.150 nan 0.000 0.529 104 L N -0.747 120.421 121.223 -0.092 0.000 2.766 104 L HA 0.262 4.593 4.340 -0.015 0.000 0.242 104 L C 1.824 178.661 176.870 -0.055 0.000 1.136 104 L CA 1.498 56.280 54.840 -0.097 0.000 0.933 104 L CB -0.310 41.669 42.059 -0.134 0.000 1.241 104 L HN 0.649 nan 8.230 nan 0.000 0.522 105 E N -0.097 120.079 120.200 -0.040 0.000 2.058 105 E HA -0.232 4.109 4.350 -0.015 0.000 0.194 105 E C 1.529 178.118 176.600 -0.019 0.000 0.997 105 E CA 1.390 57.776 56.400 -0.022 0.000 0.801 105 E CB 0.322 30.010 29.700 -0.020 0.000 0.746 105 E HN 0.387 nan 8.360 nan 0.000 0.450 106 N N 0.008 118.693 118.700 -0.025 0.000 2.171 106 N HA -0.083 4.647 4.740 -0.015 0.000 0.184 106 N C 1.555 177.052 175.510 -0.022 0.000 1.021 106 N CA 1.168 54.203 53.050 -0.025 0.000 0.854 106 N CB -0.378 38.093 38.487 -0.027 0.000 0.994 106 N HN 0.213 nan 8.380 nan 0.000 0.426 107 A N 0.548 123.353 122.820 -0.025 0.000 1.865 107 A HA -0.176 4.135 4.320 -0.015 0.000 0.217 107 A C 2.652 180.233 177.584 -0.006 0.000 1.191 107 A CA 1.545 53.571 52.037 -0.019 0.000 0.623 107 A CB -1.120 17.860 19.000 -0.033 0.000 0.826 107 A HN 0.449 nan 8.150 nan 0.000 0.444 108 C N -0.855 118.443 119.300 -0.003 0.000 2.425 108 C HA -0.074 4.377 4.460 -0.015 0.000 0.277 108 C C 2.472 177.469 174.990 0.011 0.000 1.280 108 C CA 1.106 60.135 59.018 0.017 0.000 1.744 108 C CB -1.191 26.572 27.740 0.038 0.000 1.989 108 C HN 0.697 nan 8.230 nan 0.000 0.491 109 D N 0.693 121.098 120.400 0.007 0.000 2.097 109 D HA -0.142 4.489 4.640 -0.015 0.000 0.195 109 D C 2.127 178.442 176.300 0.024 0.000 0.989 109 D CA 1.513 55.519 54.000 0.009 0.000 0.827 109 D CB -0.263 40.531 40.800 -0.010 0.000 0.966 109 D HN 0.458 nan 8.370 nan 0.000 0.456 110 E N 0.231 120.439 120.200 0.013 0.000 2.051 110 E HA -0.069 4.272 4.350 -0.015 0.000 0.192 110 E C 1.896 178.532 176.600 0.059 0.000 0.991 110 E CA 1.668 58.092 56.400 0.041 0.000 0.799 110 E CB -0.599 29.109 29.700 0.014 0.000 0.748 110 E HN 0.217 nan 8.360 nan 0.000 0.449 111 A N -0.179 122.647 122.820 0.010 0.000 1.902 111 A HA -0.202 4.109 4.320 -0.015 0.000 0.217 111 A C 2.475 179.991 177.584 -0.113 0.000 1.181 111 A CA 2.752 54.769 52.037 -0.034 0.000 0.623 111 A CB -1.372 17.614 19.000 -0.023 0.000 0.818 111 A HN 0.522 nan 8.150 nan 0.000 0.443 112 T N -3.847 110.639 114.554 -0.113 0.000 2.857 112 T HA -0.191 4.150 4.350 -0.015 0.000 0.266 112 T C 1.859 176.485 174.700 -0.124 0.000 1.048 112 T CA 1.442 63.418 62.100 -0.206 0.000 1.139 112 T CB -0.609 68.174 68.868 -0.140 0.000 0.874 112 T HN 0.442 nan 8.240 nan 0.000 0.455 113 Y N 2.232 122.456 120.300 -0.126 0.000 2.128 113 Y HA -0.150 4.391 4.550 -0.014 0.000 0.284 113 Y C 2.667 178.507 175.900 -0.100 0.000 1.154 113 Y CA 1.772 59.815 58.100 -0.095 0.000 1.149 113 Y CB -0.563 37.860 38.460 -0.061 0.000 0.976 113 Y HN 0.253 nan 8.280 nan 0.000 0.505 114 Q N -0.955 118.785 119.800 -0.101 0.000 2.291 114 Q HA -0.140 4.191 4.340 -0.015 0.000 0.206 114 Q C 1.586 177.460 176.000 -0.210 0.000 0.976 114 Q CA 0.977 56.681 55.803 -0.165 0.000 0.875 114 Q CB -0.092 28.619 28.738 -0.045 0.000 0.927 114 Q HN 0.362 nan 8.270 nan 0.000 0.450 115 L N -1.120 119.959 121.223 -0.241 0.000 2.599 115 L HA 0.135 4.466 4.340 -0.015 0.000 0.230 115 L C 1.148 177.851 176.870 -0.279 0.000 1.141 115 L CA 1.277 55.955 54.840 -0.270 0.000 0.877 115 L CB -0.297 41.514 42.059 -0.414 0.000 1.009 115 L HN 0.314 nan 8.230 nan 0.000 0.447 116 G N -0.273 108.345 108.800 -0.303 0.000 2.142 116 G HA2 -0.227 3.724 3.960 -0.015 0.000 0.225 116 G HA3 -0.227 3.724 3.960 -0.015 0.000 0.225 116 G C -0.000 174.764 174.900 -0.227 0.000 1.015 116 G CA 0.156 45.089 45.100 -0.279 0.000 0.716 116 G HN 0.261 nan 8.290 nan 0.000 0.508 117 L N -0.272 120.819 121.223 -0.221 0.000 2.341 117 L HA 0.655 4.986 4.340 -0.015 0.000 0.267 117 L C -0.614 176.230 176.870 -0.043 0.000 1.009 117 L CA -1.186 53.557 54.840 -0.161 0.000 0.819 117 L CB 1.922 43.824 42.059 -0.263 0.000 1.323 117 L HN 0.081 nan 8.230 nan 0.000 0.425 118 D N 1.760 122.163 120.400 0.006 0.000 2.373 118 D HA 0.209 4.840 4.640 -0.015 0.000 0.227 118 D C 0.582 176.915 176.300 0.055 0.000 1.091 118 D CA -0.270 53.761 54.000 0.051 0.000 0.840 118 D CB 1.588 42.423 40.800 0.058 0.000 1.060 118 D HN 0.494 nan 8.370 nan 0.000 0.502 119 M N 3.047 122.680 119.600 0.055 0.000 2.159 119 M HA -0.136 4.335 4.480 -0.015 0.000 0.263 119 M C 1.273 177.616 176.300 0.072 0.000 1.063 119 M CA 1.549 56.889 55.300 0.068 0.000 1.110 119 M CB 0.220 32.853 32.600 0.055 0.000 1.374 119 M HN 0.420 nan 8.290 nan 0.000 0.411 120 E N -0.272 119.960 120.200 0.054 0.000 2.150 120 E HA -0.248 4.093 4.350 -0.015 0.000 0.193 120 E C 1.833 178.463 176.600 0.051 0.000 0.985 120 E CA 1.306 57.733 56.400 0.045 0.000 0.814 120 E CB -0.155 29.567 29.700 0.037 0.000 0.752 120 E HN 0.637 nan 8.360 nan 0.000 0.466 121 E N 0.483 120.719 120.200 0.061 0.000 2.106 121 E HA -0.190 4.151 4.350 -0.015 0.000 0.192 121 E C 1.879 178.521 176.600 0.070 0.000 0.984 121 E CA 0.562 57.000 56.400 0.063 0.000 0.806 121 E CB 0.189 29.931 29.700 0.069 0.000 0.750 121 E HN 0.081 nan 8.360 nan 0.000 0.458 122 L N 1.390 122.676 121.223 0.105 0.000 2.093 122 L HA -0.125 4.206 4.340 -0.015 0.000 0.208 122 L C 2.069 178.996 176.870 0.095 0.000 1.085 122 L CA 1.632 56.566 54.840 0.156 0.000 0.755 122 L CB -0.652 41.553 42.059 0.244 0.000 0.904 122 L HN 0.128 nan 8.230 nan 0.000 0.435 123 E N -0.684 119.562 120.200 0.077 0.000 2.153 123 E HA -0.196 4.145 4.350 -0.015 0.000 0.194 123 E C 1.814 178.372 176.600 -0.071 0.000 0.988 123 E CA 0.776 57.191 56.400 0.025 0.000 0.811 123 E CB 0.033 29.752 29.700 0.033 0.000 0.746 123 E HN 0.396 nan 8.360 nan 0.000 0.466 124 E N 0.135 120.307 120.200 -0.047 0.000 2.418 124 E HA -0.102 4.238 4.350 -0.015 0.000 0.197 124 E C 1.780 178.312 176.600 -0.114 0.000 1.026 124 E CA 0.542 56.913 56.400 -0.049 0.000 0.862 124 E CB 0.083 29.790 29.700 0.011 0.000 0.799 124 E HN 0.401 nan 8.360 nan 0.000 0.518 125 I N 0.795 121.234 120.570 -0.219 0.000 2.876 125 I HA -0.088 4.072 4.170 -0.015 0.000 0.264 125 I C 1.319 177.118 176.117 -0.530 0.000 1.204 125 I CA 0.197 61.299 61.300 -0.330 0.000 1.485 125 I CB 0.143 37.954 38.000 -0.315 0.000 1.103 125 I HN -0.049 nan 8.210 nan 0.000 0.446 126 E N 2.814 122.596 120.200 -0.695 0.000 2.415 126 E HA -0.034 4.307 4.350 -0.015 0.000 0.263 126 E C -0.240 176.268 176.600 -0.154 0.000 0.995 126 E CA -0.255 55.815 56.400 -0.551 0.000 0.915 126 E CB 0.597 30.098 29.700 -0.332 0.000 0.951 126 E HN 0.103 nan 8.360 nan 0.000 0.449 127 E N 3.602 123.803 120.200 0.001 0.000 2.373 127 E HA 0.039 4.380 4.350 -0.015 0.000 0.267 127 E C -0.736 175.950 176.600 0.143 0.000 1.032 127 E CA -0.139 56.341 56.400 0.133 0.000 0.889 127 E CB 0.575 30.449 29.700 0.289 0.000 0.984 127 E HN 0.481 nan 8.360 nan 0.000 0.425 128 D N 0.938 121.394 120.400 0.093 0.000 2.455 128 D HA 0.125 4.756 4.640 -0.015 0.000 0.241 128 D C -0.250 176.062 176.300 0.020 0.000 1.138 128 D CA 0.266 54.293 54.000 0.046 0.000 0.877 128 D CB 0.510 41.327 40.800 0.028 0.000 1.187 128 D HN 0.390 nan 8.370 nan 0.000 0.451 129 A N 2.631 125.412 122.820 -0.065 0.000 2.671 129 A HA 0.461 4.772 4.320 -0.015 0.000 0.306 129 A C 1.081 178.487 177.584 -0.296 0.000 1.473 129 A CA -0.390 51.400 52.037 -0.413 0.000 1.155 129 A CB -0.241 18.581 19.000 -0.296 0.000 1.123 129 A HN 0.555 nan 8.150 nan 0.000 0.545 130 G N 2.156 110.728 108.800 -0.379 0.000 3.741 130 G HA2 0.408 4.358 3.960 -0.015 0.000 0.263 130 G HA3 0.408 4.358 3.960 -0.015 0.000 0.263 130 G C 0.321 174.983 174.900 -0.397 0.000 1.175 130 G CA -0.314 44.647 45.100 -0.232 0.000 1.642 130 G HN 0.697 nan 8.290 nan 0.000 0.644 131 L N 1.359 122.409 121.223 -0.288 0.000 2.939 131 L HA 0.367 4.698 4.340 -0.015 0.000 0.239 131 L C 1.044 177.852 176.870 -0.103 0.000 1.325 131 L CA -0.189 54.594 54.840 -0.095 0.000 1.170 131 L CB -0.400 41.730 42.059 0.119 0.000 1.538 131 L HN 0.318 nan 8.230 nan 0.000 0.452 132 G N -1.300 107.214 108.800 -0.476 0.000 2.660 132 G HA2 0.205 4.156 3.960 -0.015 0.000 0.290 132 G HA3 0.205 4.156 3.960 -0.015 0.000 0.290 132 G C -0.139 174.315 174.900 -0.742 0.000 1.432 132 G CA -0.446 44.355 45.100 -0.499 0.000 0.807 132 G HN -0.089 nan 8.290 nan 0.000 0.485 133 N N -0.846 117.645 118.700 -0.349 0.000 2.436 133 N HA 0.226 4.957 4.740 -0.015 0.000 0.178 133 N C 1.138 176.642 175.510 -0.011 0.000 1.026 133 N CA 1.313 54.247 53.050 -0.193 0.000 0.880 133 N CB 1.224 39.697 38.487 -0.024 0.000 1.061 133 N HN 0.840 nan 8.380 nan 0.000 0.434 134 G N -0.766 108.118 108.800 0.140 0.000 2.725 134 G HA2 0.205 4.156 3.960 -0.015 0.000 0.098 134 G HA3 0.205 4.156 3.960 -0.015 0.000 0.098 134 G C 0.689 175.712 174.900 0.204 0.000 1.188 134 G CA 0.230 45.484 45.100 0.256 0.000 1.237 134 G HN 0.162 nan 8.290 nan 0.000 0.596 135 G N 0.360 109.225 108.800 0.108 0.000 2.446 135 G HA2 -0.057 3.894 3.960 -0.015 0.000 0.217 135 G HA3 -0.057 3.894 3.960 -0.015 0.000 0.217 135 G C 1.890 176.785 174.900 -0.008 0.000 1.168 135 G CA 1.501 46.628 45.100 0.045 0.000 0.771 135 G HN 0.828 nan 8.290 nan 0.000 0.551 136 L N 0.643 121.833 121.223 -0.055 0.000 2.046 136 L HA 0.093 4.424 4.340 -0.015 0.000 0.208 136 L C 2.803 179.602 176.870 -0.119 0.000 1.077 136 L CA 1.948 56.660 54.840 -0.214 0.000 0.747 136 L CB -0.556 41.322 42.059 -0.303 0.000 0.896 136 L HN 0.234 nan 8.230 nan 0.000 0.432 137 G N -0.567 108.231 108.800 -0.004 0.000 2.408 137 G HA2 -0.304 3.647 3.960 -0.015 0.000 0.217 137 G HA3 -0.304 3.647 3.960 -0.015 0.000 0.217 137 G C 1.644 176.624 174.900 0.134 0.000 1.150 137 G CA 0.697 45.830 45.100 0.056 0.000 0.776 137 G HN 0.292 nan 8.290 nan 0.000 0.542 138 R N -0.067 120.527 120.500 0.156 0.000 2.119 138 R HA 0.166 4.497 4.340 -0.015 0.000 0.222 138 R C 2.296 178.598 176.300 0.004 0.000 1.088 138 R CA 0.635 56.793 56.100 0.095 0.000 0.984 138 R CB -0.849 29.465 30.300 0.024 0.000 0.884 138 R HN 0.332 nan 8.270 nan 0.000 0.447 139 L N 0.177 121.337 121.223 -0.106 0.000 2.046 139 L HA -0.002 4.329 4.340 -0.015 0.000 0.208 139 L C 2.053 178.640 176.870 -0.472 0.000 1.077 139 L CA 2.152 56.787 54.840 -0.343 0.000 0.747 139 L CB -0.853 40.965 42.059 -0.401 0.000 0.896 139 L HN 0.237 nan 8.230 nan 0.000 0.432 140 A N -0.531 122.151 122.820 -0.230 0.000 1.908 140 A HA -0.179 4.132 4.320 -0.015 0.000 0.218 140 A C 2.450 180.092 177.584 0.097 0.000 1.181 140 A CA 2.005 53.981 52.037 -0.102 0.000 0.627 140 A CB -1.206 17.715 19.000 -0.132 0.000 0.818 140 A HN 0.576 nan 8.150 nan 0.000 0.445 141 A N -1.107 121.803 122.820 0.150 0.000 1.877 141 A HA -0.163 4.147 4.320 -0.015 0.000 0.216 141 A C 2.323 179.974 177.584 0.112 0.000 1.186 141 A CA 1.665 53.805 52.037 0.171 0.000 0.620 141 A CB -1.293 17.794 19.000 0.145 0.000 0.822 141 A HN 0.604 nan 8.150 nan 0.000 0.443 142 C N -1.502 117.865 119.300 0.110 0.000 2.429 142 C HA -0.071 4.380 4.460 -0.015 0.000 0.277 142 C C 2.433 177.583 174.990 0.267 0.000 1.262 142 C CA 0.656 59.778 59.018 0.174 0.000 1.733 142 C CB -1.616 26.243 27.740 0.200 0.000 2.010 142 C HN 0.605 nan 8.230 nan 0.000 0.483 143 F N 1.259 121.188 119.950 -0.034 0.000 2.134 143 F HA -0.079 4.439 4.527 -0.016 0.000 0.299 143 F C 2.235 177.972 175.800 -0.106 0.000 1.097 143 F CA 1.085 59.015 58.000 -0.118 0.000 1.264 143 F CB -1.392 37.407 39.000 -0.334 0.000 1.001 143 F HN 0.196 nan 8.300 nan 0.000 0.479 144 L N -0.408 120.879 121.223 0.107 0.000 2.042 144 L HA -0.257 4.074 4.340 -0.015 0.000 0.210 144 L C 2.164 179.036 176.870 0.004 0.000 1.076 144 L CA 1.952 56.809 54.840 0.028 0.000 0.749 144 L CB -0.858 41.214 42.059 0.021 0.000 0.893 144 L HN 0.102 nan 8.230 nan 0.000 0.432 145 D N -0.356 120.057 120.400 0.021 0.000 2.104 145 D HA -0.185 4.446 4.640 -0.015 0.000 0.194 145 D C 2.217 178.528 176.300 0.018 0.000 0.994 145 D CA 1.627 55.627 54.000 0.001 0.000 0.830 145 D CB 0.174 40.974 40.800 0.000 0.000 0.959 145 D HN 0.097 nan 8.370 nan 0.000 0.452 146 S N -0.804 114.923 115.700 0.046 0.000 2.383 146 S HA -0.106 4.354 4.470 -0.015 0.000 0.227 146 S C 1.992 176.601 174.600 0.015 0.000 1.026 146 S CA 0.881 59.101 58.200 0.034 0.000 0.981 146 S CB -0.217 63.008 63.200 0.042 0.000 0.818 146 S HN 0.339 nan 8.310 nan 0.000 0.472 147 M N 0.958 120.560 119.600 0.003 0.000 2.159 147 M HA -0.093 4.378 4.480 -0.015 0.000 0.263 147 M C 2.448 178.746 176.300 -0.004 0.000 1.063 147 M CA 1.404 56.704 55.300 -0.001 0.000 1.110 147 M CB -0.506 32.076 32.600 -0.029 0.000 1.374 147 M HN 0.393 nan 8.290 nan 0.000 0.411 148 A N -0.231 122.582 122.820 -0.012 0.000 1.898 148 A HA -0.121 4.190 4.320 -0.015 0.000 0.216 148 A C 2.171 179.764 177.584 0.016 0.000 1.181 148 A CA 2.031 54.064 52.037 -0.007 0.000 0.620 148 A CB -1.073 17.906 19.000 -0.036 0.000 0.819 148 A HN 0.420 nan 8.150 nan 0.000 0.442 149 T N 0.258 114.828 114.554 0.026 0.000 2.833 149 T HA -0.002 4.339 4.350 -0.015 0.000 0.269 149 T C 1.306 176.033 174.700 0.046 0.000 1.054 149 T CA 1.125 63.255 62.100 0.051 0.000 1.135 149 T CB -0.261 68.645 68.868 0.064 0.000 0.869 149 T HN 0.338 nan 8.240 nan 0.000 0.466 150 L N 0.438 121.683 121.223 0.038 0.000 2.653 150 L HA 0.311 4.642 4.340 -0.015 0.000 0.231 150 L C 1.616 178.514 176.870 0.048 0.000 1.153 150 L CA -0.097 54.767 54.840 0.041 0.000 0.933 150 L CB -0.348 41.735 42.059 0.040 0.000 1.175 150 L HN 0.391 nan 8.230 nan 0.000 0.473 151 G N 1.103 109.933 108.800 0.050 0.000 2.249 151 G HA2 -0.288 3.663 3.960 -0.015 0.000 0.273 151 G HA3 -0.288 3.663 3.960 -0.015 0.000 0.273 151 G C 0.136 175.084 174.900 0.080 0.000 1.036 151 G CA 0.056 45.202 45.100 0.076 0.000 0.824 151 G HN 0.293 nan 8.290 nan 0.000 0.504 152 L N -0.160 121.083 121.223 0.032 0.000 2.350 152 L HA 0.601 4.932 4.340 -0.015 0.000 0.275 152 L C 1.227 177.989 176.870 -0.179 0.000 1.099 152 L CA -0.333 54.483 54.840 -0.039 0.000 0.808 152 L CB 1.494 43.540 42.059 -0.022 0.000 1.149 152 L HN 0.251 nan 8.230 nan 0.000 0.442 153 A N 3.014 125.600 122.820 -0.389 0.000 2.981 153 A HA 0.557 4.868 4.320 -0.015 0.000 0.280 153 A C 0.294 177.515 177.584 -0.606 0.000 1.743 153 A CA -0.121 51.395 52.037 -0.867 0.000 1.430 153 A CB -0.691 17.695 19.000 -1.023 0.000 1.085 153 A HN 0.711 nan 8.150 nan 0.000 0.597 154 A N 1.693 124.195 122.820 -0.529 0.000 2.355 154 A HA 0.798 5.109 4.320 -0.015 0.000 0.324 154 A C -1.074 176.225 177.584 -0.474 0.000 1.117 154 A CA -0.477 51.321 52.037 -0.399 0.000 0.785 154 A CB 0.861 19.710 19.000 -0.252 0.000 1.254 154 A HN 0.623 nan 8.150 nan 0.000 0.453 155 Y N 0.370 120.590 120.300 -0.133 0.000 2.361 155 Y HA 0.536 5.077 4.550 -0.015 0.000 0.337 155 Y C 0.868 176.841 175.900 0.121 0.000 0.965 155 Y CA -0.546 57.551 58.100 -0.006 0.000 1.091 155 Y CB 2.395 40.943 38.460 0.146 0.000 1.182 155 Y HN 0.839 nan 8.280 nan 0.000 0.450 156 G N 2.209 111.076 108.800 0.112 0.000 2.353 156 G HA2 0.427 4.378 3.960 -0.015 0.000 0.284 156 G HA3 0.427 4.378 3.960 -0.015 0.000 0.284 156 G C -1.723 173.165 174.900 -0.019 0.000 1.172 156 G CA -0.187 44.996 45.100 0.138 0.000 0.854 156 G HN 0.527 nan 8.290 nan 0.000 0.485 157 Y N 1.066 121.605 120.300 0.399 0.000 2.361 157 Y HA 0.618 5.159 4.550 -0.015 0.000 0.337 157 Y C 0.718 176.943 175.900 0.542 0.000 0.965 157 Y CA 0.187 58.494 58.100 0.345 0.000 1.091 157 Y CB 2.629 41.303 38.460 0.358 0.000 1.182 157 Y HN 0.896 nan 8.280 nan 0.000 0.450 158 G N 2.377 111.517 108.800 0.567 0.000 2.677 158 G HA2 0.589 4.540 3.960 -0.015 0.000 0.283 158 G HA3 0.589 4.540 3.960 -0.015 0.000 0.283 158 G C -1.754 173.381 174.900 0.391 0.000 1.221 158 G CA -0.800 44.648 45.100 0.579 0.000 0.851 158 G HN 0.407 nan 8.290 nan 0.000 0.504 159 I N 0.485 121.181 120.570 0.210 0.000 2.474 159 I HA 0.445 4.606 4.170 -0.015 0.000 0.294 159 I C 0.140 176.172 176.117 -0.143 0.000 1.005 159 I CA -0.756 60.560 61.300 0.027 0.000 1.113 159 I CB 2.336 40.174 38.000 -0.270 0.000 1.289 159 I HN 0.343 nan 8.210 nan 0.000 0.436 160 R N 5.752 126.263 120.500 0.018 0.000 2.608 160 R HA 0.236 4.567 4.340 -0.015 0.000 0.277 160 R C -1.276 175.075 176.300 0.085 0.000 1.341 160 R CA -0.454 55.684 56.100 0.064 0.000 1.199 160 R CB -0.042 30.272 30.300 0.023 0.000 1.156 160 R HN 0.390 nan 8.270 nan 0.000 0.558 161 Y N 1.552 122.018 120.300 0.276 0.000 2.526 161 Y HA -0.076 4.465 4.550 -0.015 0.000 0.330 161 Y C 1.567 177.657 175.900 0.317 0.000 1.156 161 Y CA 0.044 58.300 58.100 0.259 0.000 1.419 161 Y CB 0.773 39.363 38.460 0.218 0.000 1.250 161 Y HN 0.584 nan 8.280 nan 0.000 0.540 162 E N 2.298 122.684 120.200 0.311 0.000 2.106 162 E HA -0.086 4.255 4.350 -0.015 0.000 0.192 162 E C -0.717 175.767 176.600 -0.193 0.000 0.984 162 E CA 0.786 57.165 56.400 -0.035 0.000 0.806 162 E CB 0.166 29.760 29.700 -0.176 0.000 0.750 162 E HN 0.503 nan 8.360 nan 0.000 0.458 163 F N -0.349 119.820 119.950 0.365 0.000 2.477 163 F HA 0.439 4.957 4.527 -0.015 0.000 0.335 163 F C 0.752 176.657 175.800 0.174 0.000 1.130 163 F CA -0.858 57.319 58.000 0.295 0.000 0.948 163 F CB 1.863 40.963 39.000 0.167 0.000 1.154 163 F HN -0.112 nan 8.300 nan 0.000 0.439 164 G N 1.832 110.762 108.800 0.217 0.000 2.531 164 G HA2 0.362 4.313 3.960 -0.015 0.000 0.253 164 G HA3 0.362 4.313 3.960 -0.015 0.000 0.253 164 G C -0.510 174.354 174.900 -0.060 0.000 1.439 164 G CA -0.727 44.336 45.100 -0.062 0.000 1.056 164 G HN 0.559 nan 8.290 nan 0.000 0.555 165 I N 0.844 121.293 120.570 -0.202 0.000 2.845 165 I HA 0.171 4.332 4.170 -0.015 0.000 0.296 165 I C 0.549 176.571 176.117 -0.158 0.000 1.216 165 I CA -0.964 60.190 61.300 -0.243 0.000 1.438 165 I CB -0.277 37.470 38.000 -0.421 0.000 1.342 165 I HN 0.326 nan 8.210 nan 0.000 0.577 166 F N 6.257 126.219 119.950 0.020 0.000 2.595 166 F HA 0.253 4.771 4.527 -0.015 0.000 0.359 166 F C 0.554 176.405 175.800 0.084 0.000 1.147 166 F CA -0.654 57.380 58.000 0.058 0.000 1.341 166 F CB -0.348 38.675 39.000 0.038 0.000 1.104 166 F HN 0.419 nan 8.300 nan 0.000 0.603 167 N N 2.650 121.522 118.700 0.287 0.000 2.475 167 N HA 0.009 4.740 4.740 -0.015 0.000 0.267 167 N C -0.669 175.075 175.510 0.391 0.000 1.169 167 N CA -0.128 53.070 53.050 0.246 0.000 0.947 167 N CB 0.988 39.604 38.487 0.215 0.000 1.061 167 N HN 0.755 nan 8.380 nan 0.000 0.466 168 Q N 2.724 122.728 119.800 0.340 0.000 2.296 168 Q HA 0.135 4.466 4.340 -0.015 0.000 0.257 168 Q C -0.903 175.263 176.000 0.277 0.000 0.942 168 Q CA -0.315 55.721 55.803 0.388 0.000 0.939 168 Q CB 0.605 29.580 28.738 0.395 0.000 1.198 168 Q HN 0.205 nan 8.270 nan 0.000 0.429 169 K N 4.111 124.650 120.400 0.233 0.000 2.207 169 K HA 0.474 4.785 4.320 -0.015 0.000 0.255 169 K C -0.595 176.102 176.600 0.161 0.000 0.941 169 K CA -0.874 55.525 56.287 0.188 0.000 0.825 169 K CB 1.533 34.124 32.500 0.151 0.000 1.119 169 K HN 0.621 nan 8.250 nan 0.000 0.430 170 I N 1.721 122.376 120.570 0.142 0.000 2.339 170 I HA 0.192 4.352 4.170 -0.015 0.000 0.290 170 I C -0.102 176.066 176.117 0.085 0.000 0.994 170 I CA -0.808 60.545 61.300 0.089 0.000 1.191 170 I CB 1.035 39.069 38.000 0.056 0.000 1.343 170 I HN 0.471 nan 8.210 nan 0.000 0.458 171 C N 5.207 124.567 119.300 0.099 0.000 2.383 171 C HA 0.628 5.078 4.460 -0.015 0.000 0.330 171 C C 1.109 176.194 174.990 0.158 0.000 1.168 171 C CA 0.222 59.307 59.018 0.112 0.000 1.374 171 C CB -0.144 27.661 27.740 0.109 0.000 2.014 171 C HN 1.118 nan 8.230 nan 0.000 0.439 172 G N 4.070 112.933 108.800 0.106 0.000 2.283 172 G HA2 0.098 4.049 3.960 -0.015 0.000 0.280 172 G HA3 0.098 4.049 3.960 -0.015 0.000 0.280 172 G C 1.275 176.164 174.900 -0.019 0.000 1.029 172 G CA 1.275 46.438 45.100 0.104 0.000 0.840 172 G HN 2.652 nan 8.290 nan 0.000 0.505 173 G N -2.867 105.867 108.800 -0.109 0.000 2.199 173 G HA2 -0.296 3.655 3.960 -0.015 0.000 0.254 173 G HA3 -0.296 3.655 3.960 -0.015 0.000 0.254 173 G C 0.405 175.038 174.900 -0.444 0.000 0.982 173 G CA 0.592 45.499 45.100 -0.322 0.000 0.632 173 G HN 1.166 nan 8.290 nan 0.000 0.529 174 W N 1.085 122.328 121.300 -0.094 0.000 2.449 174 W HA 0.648 5.299 4.660 -0.015 0.000 0.331 174 W C 0.703 177.168 176.519 -0.091 0.000 1.119 174 W CA -0.797 56.487 57.345 -0.101 0.000 1.240 174 W CB 0.790 30.206 29.460 -0.073 0.000 1.251 174 W HN 0.255 nan 8.180 nan 0.000 0.576 175 Q N 3.406 123.302 119.800 0.160 0.000 2.297 175 Q HA 0.205 4.536 4.340 -0.015 0.000 0.267 175 Q C -0.574 175.482 176.000 0.093 0.000 1.006 175 Q CA 0.068 55.934 55.803 0.104 0.000 0.896 175 Q CB 0.517 29.308 28.738 0.089 0.000 1.186 175 Q HN 0.312 nan 8.270 nan 0.000 0.392 176 M N 3.226 122.876 119.600 0.085 0.000 2.364 176 M HA 0.383 4.853 4.480 -0.015 0.000 0.334 176 M C -0.989 175.324 176.300 0.023 0.000 1.107 176 M CA -0.675 54.644 55.300 0.032 0.000 0.988 176 M CB 1.608 34.238 32.600 0.049 0.000 1.673 176 M HN 0.585 nan 8.290 nan 0.000 0.441 177 E N 1.883 122.027 120.200 -0.093 0.000 2.175 177 E HA 0.442 4.783 4.350 -0.015 0.000 0.278 177 E C -0.666 175.932 176.600 -0.004 0.000 0.969 177 E CA -0.539 55.779 56.400 -0.137 0.000 0.796 177 E CB 1.440 30.794 29.700 -0.577 0.000 1.104 177 E HN 0.530 nan 8.360 nan 0.000 0.395 178 E N 0.972 121.247 120.200 0.125 0.000 2.343 178 E HA 0.732 5.073 4.350 -0.015 0.000 0.270 178 E C -1.011 175.685 176.600 0.160 0.000 0.895 178 E CA -1.544 54.919 56.400 0.106 0.000 0.767 178 E CB 1.437 31.203 29.700 0.109 0.000 1.248 178 E HN 0.441 nan 8.360 nan 0.000 0.440 179 A N 1.899 124.776 122.820 0.094 0.000 2.540 179 A HA 0.052 4.363 4.320 -0.015 0.000 0.239 179 A C -0.122 177.639 177.584 0.296 0.000 1.061 179 A CA 0.225 52.333 52.037 0.119 0.000 0.758 179 A CB -0.027 18.916 19.000 -0.095 0.000 0.991 179 A HN 0.707 nan 8.150 nan 0.000 0.502 180 D N 1.558 122.202 120.400 0.407 0.000 2.494 180 D HA 0.197 4.828 4.640 -0.015 0.000 0.217 180 D C -0.468 176.150 176.300 0.529 0.000 1.153 180 D CA -0.189 54.047 54.000 0.393 0.000 0.954 180 D CB 0.350 41.316 40.800 0.277 0.000 1.034 180 D HN 0.369 nan 8.370 nan 0.000 0.518 181 D N 3.822 124.487 120.400 0.442 0.000 2.801 181 D HA -0.022 4.608 4.640 -0.015 0.000 0.232 181 D C 1.110 177.524 176.300 0.189 0.000 1.128 181 D CA -0.510 53.657 54.000 0.278 0.000 1.003 181 D CB -0.181 40.780 40.800 0.268 0.000 1.110 181 D HN 0.570 nan 8.370 nan 0.000 0.477 182 W N 1.457 122.777 121.300 0.034 0.000 2.525 182 W HA -0.034 4.617 4.660 -0.015 0.000 0.259 182 W C 0.214 176.776 176.519 0.072 0.000 1.253 182 W CA 0.082 57.472 57.345 0.075 0.000 1.262 182 W CB -0.739 28.769 29.460 0.081 0.000 1.122 182 W HN 0.161 nan 8.180 nan 0.000 0.607 183 L N 1.035 121.884 121.223 -0.622 0.000 2.592 183 L HA 0.155 4.486 4.340 -0.015 0.000 0.227 183 L C 2.819 179.517 176.870 -0.287 0.000 1.127 183 L CA 0.042 54.493 54.840 -0.648 0.000 0.884 183 L CB -0.601 40.946 42.059 -0.853 0.000 1.065 183 L HN -0.098 nan 8.230 nan 0.000 0.457 184 R N 0.666 121.052 120.500 -0.190 0.000 2.113 184 R HA -0.235 4.096 4.340 -0.015 0.000 0.244 184 R C 1.467 177.598 176.300 -0.281 0.000 1.142 184 R CA 2.104 58.061 56.100 -0.238 0.000 0.953 184 R CB -0.254 29.891 30.300 -0.258 0.000 0.860 184 R HN 0.308 nan 8.270 nan 0.000 0.438 185 Y N -0.338 119.985 120.300 0.038 0.000 2.466 185 Y HA 0.304 4.845 4.550 -0.015 0.000 0.272 185 Y C 0.912 176.833 175.900 0.035 0.000 1.169 185 Y CA 0.539 58.686 58.100 0.077 0.000 1.285 185 Y CB 0.684 39.301 38.460 0.262 0.000 1.078 185 Y HN 0.457 nan 8.280 nan 0.000 0.523 186 G N 1.264 110.124 108.800 0.100 0.000 2.663 186 G HA2 -0.216 3.735 3.960 -0.015 0.000 0.686 186 G HA3 -0.216 3.735 3.960 -0.015 0.000 0.686 186 G C -1.279 173.712 174.900 0.152 0.000 1.246 186 G CA -0.837 44.285 45.100 0.037 0.000 0.795 186 G HN 0.260 nan 8.290 nan 0.000 0.627 187 N N 1.383 120.107 118.700 0.040 0.000 2.524 187 N HA 0.608 5.339 4.740 -0.015 0.000 0.261 187 N C -0.639 174.876 175.510 0.007 0.000 0.998 187 N CA -2.021 51.073 53.050 0.072 0.000 0.915 187 N CB 2.027 40.495 38.487 -0.031 0.000 1.187 187 N HN 0.229 nan 8.380 nan 0.000 0.507 188 P HA 0.023 nan 4.420 nan 0.000 0.229 188 P C 0.593 177.570 177.300 -0.539 0.000 1.160 188 P CA 0.727 63.518 63.100 -0.515 0.000 0.777 188 P CB 0.074 31.182 31.700 -0.986 0.000 0.814 189 W N 1.923 123.230 121.300 0.012 0.000 2.584 189 W HA 0.039 4.690 4.660 -0.015 0.000 0.264 189 W C 1.237 177.793 176.519 0.062 0.000 1.264 189 W CA -0.308 57.042 57.345 0.008 0.000 1.306 189 W CB -0.258 29.207 29.460 0.010 0.000 1.110 189 W HN 0.039 nan 8.180 nan 0.000 0.606 190 E N 1.527 121.887 120.200 0.266 0.000 2.283 190 E HA 0.375 4.716 4.350 -0.015 0.000 0.271 190 E C -0.686 176.078 176.600 0.274 0.000 1.031 190 E CA -0.887 55.687 56.400 0.290 0.000 0.868 190 E CB 1.465 31.346 29.700 0.302 0.000 1.094 190 E HN -0.324 nan 8.360 nan 0.000 0.401 191 K N 1.679 122.259 120.400 0.299 0.000 2.535 191 K HA 0.408 4.719 4.320 -0.015 0.000 0.253 191 K C -1.137 175.502 176.600 0.064 0.000 0.953 191 K CA -0.492 55.909 56.287 0.189 0.000 0.863 191 K CB 1.453 34.063 32.500 0.184 0.000 1.111 191 K HN 0.670 nan 8.250 nan 0.000 0.431 192 A N 4.315 127.098 122.820 -0.061 0.000 2.540 192 A HA 0.259 4.570 4.320 -0.015 0.000 0.239 192 A C -0.222 177.214 177.584 -0.248 0.000 1.061 192 A CA 0.053 51.812 52.037 -0.463 0.000 0.758 192 A CB 0.168 18.913 19.000 -0.425 0.000 0.991 192 A HN 0.671 nan 8.150 nan 0.000 0.502 193 R N 3.419 123.765 120.500 -0.257 0.000 2.983 193 R HA 0.198 4.529 4.340 -0.015 0.000 0.300 193 R C -2.317 173.972 176.300 -0.020 0.000 1.367 193 R CA -1.654 54.436 56.100 -0.017 0.000 1.564 193 R CB 0.671 31.091 30.300 0.201 0.000 1.314 193 R HN 0.569 nan 8.270 nan 0.000 0.622 194 P HA -0.188 nan 4.420 nan 0.000 0.219 194 P C 0.947 178.205 177.300 -0.071 0.000 1.146 194 P CA 1.136 64.197 63.100 -0.065 0.000 0.808 194 P CB 0.350 32.007 31.700 -0.073 0.000 0.779 195 E N -0.338 119.751 120.200 -0.185 0.000 2.409 195 E HA -0.134 4.207 4.350 -0.015 0.000 0.198 195 E C 0.602 176.947 176.600 -0.424 0.000 1.024 195 E CA 0.803 56.994 56.400 -0.347 0.000 0.861 195 E CB -0.848 28.535 29.700 -0.529 0.000 0.788 195 E HN 0.285 nan 8.360 nan 0.000 0.521 196 F N 1.662 121.623 119.950 0.018 0.000 2.684 196 F HA 0.247 4.764 4.527 -0.015 0.000 0.298 196 F C 0.465 176.354 175.800 0.148 0.000 1.120 196 F CA -0.399 57.642 58.000 0.068 0.000 1.332 196 F CB 0.332 39.364 39.000 0.055 0.000 0.986 196 F HN -0.283 nan 8.300 nan 0.000 0.524 197 T N 2.642 117.331 114.554 0.225 0.000 2.940 197 T HA 0.311 4.652 4.350 -0.015 0.000 0.309 197 T C -0.318 174.476 174.700 0.156 0.000 1.056 197 T CA 0.358 62.587 62.100 0.215 0.000 1.137 197 T CB 0.763 69.710 68.868 0.131 0.000 0.976 197 T HN -0.161 nan 8.240 nan 0.000 0.547 198 L N 5.092 126.377 121.223 0.102 0.000 2.401 198 L HA 0.543 4.874 4.340 -0.015 0.000 0.266 198 L C -2.291 174.531 176.870 -0.080 0.000 0.991 198 L CA -2.424 52.408 54.840 -0.015 0.000 0.818 198 L CB 2.143 44.122 42.059 -0.133 0.000 1.321 198 L HN 0.384 nan 8.230 nan 0.000 0.413 199 P HA 0.381 nan 4.420 nan 0.000 0.284 199 P C -1.199 175.969 177.300 -0.220 0.000 1.253 199 P CA -0.367 62.646 63.100 -0.145 0.000 0.800 199 P CB 1.652 33.264 31.700 -0.147 0.000 0.961 200 V N 3.902 123.670 119.914 -0.245 0.000 2.604 200 V HA 0.334 4.445 4.120 -0.015 0.000 0.305 200 V C 0.127 176.002 176.094 -0.364 0.000 1.043 200 V CA -0.607 61.535 62.300 -0.262 0.000 0.888 200 V CB 1.475 33.187 31.823 -0.185 0.000 0.995 200 V HN 0.600 nan 8.190 nan 0.000 0.429 201 H N 3.879 122.797 119.070 -0.254 0.000 2.472 201 H HA 0.612 5.158 4.556 -0.015 0.000 0.338 201 H C -1.302 173.778 175.328 -0.413 0.000 1.133 201 H CA -0.168 55.666 56.048 -0.357 0.000 1.216 201 H CB 1.926 31.241 29.762 -0.746 0.000 1.497 201 H HN 0.476 nan 8.280 nan 0.000 0.500 202 F N 0.465 120.501 119.950 0.143 0.000 2.603 202 F HA 0.217 4.735 4.527 -0.015 0.000 0.317 202 F C -0.189 175.753 175.800 0.236 0.000 1.066 202 F CA -0.506 57.580 58.000 0.144 0.000 0.941 202 F CB 1.110 40.106 39.000 -0.006 0.000 1.291 202 F HN 0.571 nan 8.300 nan 0.000 0.472 203 Y N 0.184 120.794 120.300 0.517 0.000 2.896 203 Y HA -0.033 4.508 4.550 -0.015 0.000 0.466 203 Y C 1.379 177.545 175.900 0.443 0.000 1.197 203 Y CA 0.622 58.942 58.100 0.367 0.000 2.513 203 Y CB -1.951 36.651 38.460 0.237 0.000 1.232 203 Y HN 1.259 nan 8.280 nan 0.000 0.632 204 G N 0.777 109.859 108.800 0.470 0.000 2.598 204 G HA2 0.063 4.014 3.960 -0.015 0.000 0.244 204 G HA3 0.063 4.014 3.960 -0.015 0.000 0.244 204 G C -0.531 174.586 174.900 0.363 0.000 1.302 204 G CA 0.927 46.224 45.100 0.328 0.000 0.903 204 G HN 1.337 nan 8.290 nan 0.000 0.575 205 R N -2.523 118.183 120.500 0.343 0.000 2.752 205 R HA 0.713 5.044 4.340 -0.015 0.000 0.271 205 R C -1.361 175.075 176.300 0.226 0.000 1.026 205 R CA -1.003 55.240 56.100 0.238 0.000 0.901 205 R CB 1.421 31.804 30.300 0.139 0.000 1.243 205 R HN 0.847 nan 8.270 nan 0.000 0.463 206 V N 0.892 120.847 119.914 0.069 0.000 2.394 206 V HA 0.345 4.456 4.120 -0.015 0.000 0.282 206 V C -0.230 175.764 176.094 -0.166 0.000 1.031 206 V CA -0.485 61.775 62.300 -0.067 0.000 0.881 206 V CB 1.237 32.956 31.823 -0.174 0.000 0.982 206 V HN 0.728 nan 8.190 nan 0.000 0.451 207 E N 3.209 123.295 120.200 -0.189 0.000 2.158 207 E HA 0.407 4.748 4.350 -0.015 0.000 0.271 207 E C -1.024 175.411 176.600 -0.276 0.000 0.911 207 E CA -0.710 55.593 56.400 -0.162 0.000 0.767 207 E CB 0.893 30.568 29.700 -0.041 0.000 1.120 207 E HN 0.719 nan 8.360 nan 0.000 0.405 208 H N 2.408 121.493 119.070 0.025 0.000 2.517 208 H HA 0.221 4.768 4.556 -0.015 0.000 0.317 208 H C 0.251 175.588 175.328 0.015 0.000 1.080 208 H CA -0.289 55.769 56.048 0.017 0.000 1.301 208 H CB 1.412 31.179 29.762 0.009 0.000 1.425 208 H HN 0.569 nan 8.280 nan 0.000 0.471 209 T N -0.902 113.719 114.554 0.112 0.000 2.919 209 T HA 0.205 4.546 4.350 -0.015 0.000 0.282 209 T C 1.421 176.159 174.700 0.062 0.000 1.020 209 T CA -0.722 61.419 62.100 0.068 0.000 0.994 209 T CB 1.226 70.119 68.868 0.041 0.000 1.180 209 T HN 0.361 nan 8.240 nan 0.000 0.566 210 S N -0.019 115.707 115.700 0.042 0.000 2.370 210 S HA -0.079 4.382 4.470 -0.015 0.000 0.226 210 S C 1.064 175.683 174.600 0.033 0.000 1.033 210 S CA 1.310 59.529 58.200 0.032 0.000 1.011 210 S CB -0.386 62.829 63.200 0.024 0.000 0.852 210 S HN 0.707 nan 8.310 nan 0.000 0.457 211 Q N 0.124 119.945 119.800 0.034 0.000 2.815 211 Q HA 0.537 4.868 4.340 -0.015 0.000 0.329 211 Q C 0.011 176.034 176.000 0.038 0.000 1.037 211 Q CA 0.202 56.024 55.803 0.033 0.000 1.002 211 Q CB 0.565 29.319 28.738 0.026 0.000 1.274 211 Q HN 0.441 nan 8.270 nan 0.000 0.452 212 G N 0.164 108.997 108.800 0.053 0.000 2.663 212 G HA2 0.141 4.092 3.960 -0.015 0.000 0.686 212 G HA3 0.141 4.092 3.960 -0.015 0.000 0.686 212 G C -0.720 174.223 174.900 0.071 0.000 1.288 212 G CA -0.660 44.479 45.100 0.064 0.000 0.836 212 G HN 0.609 nan 8.290 nan 0.000 0.584 213 A N 0.572 123.436 122.820 0.072 0.000 2.351 213 A HA 0.727 5.038 4.320 -0.015 0.000 0.257 213 A C 0.486 178.051 177.584 -0.031 0.000 1.087 213 A CA 0.287 52.318 52.037 -0.010 0.000 0.798 213 A CB 0.600 19.587 19.000 -0.021 0.000 1.033 213 A HN 0.760 nan 8.150 nan 0.000 0.488 214 K N 0.751 121.114 120.400 -0.062 0.000 2.482 214 K HA 0.187 4.498 4.320 -0.015 0.000 0.251 214 K C -1.874 174.765 176.600 0.066 0.000 0.936 214 K CA -0.348 55.941 56.287 0.003 0.000 0.791 214 K CB 2.164 34.664 32.500 -0.001 0.000 1.213 214 K HN 0.752 nan 8.250 nan 0.000 0.428 215 W N 5.222 126.446 121.300 -0.126 0.000 2.308 215 W HA 0.357 5.008 4.660 -0.015 0.000 0.311 215 W C -0.584 175.876 176.519 -0.098 0.000 1.088 215 W CA -0.776 56.499 57.345 -0.116 0.000 1.309 215 W CB 0.171 29.550 29.460 -0.136 0.000 1.229 215 W HN 0.311 nan 8.180 nan 0.000 0.427 216 V N 2.791 122.758 119.914 0.089 0.000 3.126 216 V HA 0.605 4.716 4.120 -0.015 0.000 0.314 216 V C -0.181 175.891 176.094 -0.036 0.000 1.138 216 V CA -0.977 61.301 62.300 -0.036 0.000 1.034 216 V CB 1.968 33.797 31.823 0.010 0.000 1.075 216 V HN 0.467 nan 8.190 nan 0.000 0.442 217 D N 0.327 120.708 120.400 -0.032 0.000 2.772 217 D HA -0.141 4.490 4.640 -0.015 0.000 0.233 217 D C 0.555 176.862 176.300 0.012 0.000 1.143 217 D CA 1.548 55.552 54.000 0.006 0.000 0.700 217 D CB -1.633 39.191 40.800 0.041 0.000 1.076 217 D HN 1.319 nan 8.370 nan 0.000 0.430 218 T N -2.948 111.567 114.554 -0.064 0.000 2.899 218 T HA 0.474 4.814 4.350 -0.015 0.000 0.284 218 T C 0.450 175.208 174.700 0.097 0.000 1.004 218 T CA -0.747 61.331 62.100 -0.037 0.000 1.043 218 T CB 1.980 70.663 68.868 -0.310 0.000 1.013 218 T HN 0.040 nan 8.240 nan 0.000 0.518 219 Q N 0.650 120.577 119.800 0.211 0.000 2.243 219 Q HA 0.546 4.876 4.340 -0.015 0.000 0.252 219 Q C -0.927 175.199 176.000 0.210 0.000 0.909 219 Q CA -0.804 55.145 55.803 0.243 0.000 0.922 219 Q CB 1.723 30.675 28.738 0.356 0.000 1.215 219 Q HN 0.522 nan 8.270 nan 0.000 0.427 220 V N 3.403 123.399 119.914 0.136 0.000 2.398 220 V HA 0.360 4.471 4.120 -0.015 0.000 0.286 220 V C -0.331 175.835 176.094 0.121 0.000 1.026 220 V CA -0.596 61.696 62.300 -0.014 0.000 0.868 220 V CB 1.632 33.394 31.823 -0.102 0.000 0.982 220 V HN 0.491 nan 8.190 nan 0.000 0.443 221 V N 6.182 126.179 119.914 0.139 0.000 2.555 221 V HA 0.484 4.595 4.120 -0.015 0.000 0.302 221 V C -0.077 176.099 176.094 0.137 0.000 1.038 221 V CA -0.671 61.726 62.300 0.161 0.000 0.887 221 V CB 1.937 33.935 31.823 0.292 0.000 0.991 221 V HN 0.625 nan 8.190 nan 0.000 0.434 222 L N 3.565 124.861 121.223 0.122 0.000 2.350 222 L HA 0.717 5.048 4.340 -0.015 0.000 0.275 222 L C 0.426 177.464 176.870 0.280 0.000 1.099 222 L CA -0.318 54.601 54.840 0.131 0.000 0.808 222 L CB 1.341 43.456 42.059 0.094 0.000 1.149 222 L HN 0.756 nan 8.230 nan 0.000 0.442 223 A N 5.160 128.094 122.820 0.189 0.000 2.267 223 A HA 0.585 4.896 4.320 -0.015 0.000 0.315 223 A C -0.501 177.340 177.584 0.429 0.000 1.297 223 A CA -0.473 51.708 52.037 0.239 0.000 0.865 223 A CB 0.954 19.649 19.000 -0.507 0.000 1.165 223 A HN 0.786 nan 8.150 nan 0.000 0.513 224 M N 5.884 125.803 119.600 0.532 0.000 2.129 224 M HA 0.443 4.914 4.480 -0.015 0.000 0.348 224 M C -2.600 173.957 176.300 0.429 0.000 1.116 224 M CA -2.175 53.379 55.300 0.423 0.000 1.022 224 M CB 1.967 34.731 32.600 0.274 0.000 1.599 224 M HN 0.345 nan 8.290 nan 0.000 0.449 225 P HA 0.257 nan 4.420 nan 0.000 0.282 225 P C -1.911 175.306 177.300 -0.139 0.000 1.249 225 P CA -0.011 62.962 63.100 -0.212 0.000 0.806 225 P CB 0.509 31.875 31.700 -0.558 0.000 0.984 226 Y N 0.475 120.697 120.300 -0.130 0.000 2.331 226 Y HA 0.318 4.859 4.550 -0.015 0.000 0.334 226 Y C 0.209 176.081 175.900 -0.046 0.000 0.960 226 Y CA -0.343 57.742 58.100 -0.026 0.000 1.130 226 Y CB 1.273 39.754 38.460 0.034 0.000 1.164 226 Y HN 0.213 nan 8.280 nan 0.000 0.458 227 D N 2.054 122.544 120.400 0.150 0.000 2.198 227 D HA 0.377 5.008 4.640 -0.015 0.000 0.245 227 D C -0.568 175.945 176.300 0.355 0.000 1.079 227 D CA -0.145 53.982 54.000 0.212 0.000 0.854 227 D CB 1.655 42.592 40.800 0.228 0.000 1.148 227 D HN 0.378 nan 8.370 nan 0.000 0.456 228 T N 3.408 118.075 114.554 0.189 0.000 2.824 228 T HA 0.450 4.791 4.350 -0.015 0.000 0.282 228 T C -2.523 172.004 174.700 -0.289 0.000 0.993 228 T CA -1.485 60.627 62.100 0.021 0.000 0.967 228 T CB 2.041 70.916 68.868 0.013 0.000 0.960 228 T HN 0.165 nan 8.240 nan 0.000 0.441 229 P HA 0.290 nan 4.420 nan 0.000 0.275 229 P C -0.969 175.989 177.300 -0.570 0.000 1.227 229 P CA -0.377 62.032 63.100 -1.153 0.000 0.781 229 P CB 0.784 31.653 31.700 -1.384 0.000 0.906 230 V N 5.259 124.897 119.914 -0.460 0.000 2.305 230 V HA 0.257 4.368 4.120 -0.015 0.000 0.275 230 V C -2.060 173.893 176.094 -0.235 0.000 1.020 230 V CA -1.969 60.159 62.300 -0.287 0.000 0.811 230 V CB 1.253 32.954 31.823 -0.203 0.000 1.031 230 V HN 0.534 nan 8.190 nan 0.000 0.439 231 P HA 0.251 nan 4.420 nan 0.000 0.281 231 P C 0.425 177.672 177.300 -0.089 0.000 1.252 231 P CA 0.336 63.345 63.100 -0.152 0.000 0.778 231 P CB 1.505 33.115 31.700 -0.149 0.000 0.895 232 G N 2.378 111.144 108.800 -0.058 0.000 2.606 232 G HA2 0.094 4.045 3.960 -0.015 0.000 0.252 232 G HA3 0.094 4.045 3.960 -0.015 0.000 0.252 232 G C -1.083 173.828 174.900 0.018 0.000 1.206 232 G CA -0.563 44.532 45.100 -0.008 0.000 0.861 232 G HN 0.519 nan 8.290 nan 0.000 0.561 233 Y N 0.890 121.150 120.300 -0.066 0.000 2.674 233 Y HA 0.210 4.751 4.550 -0.016 0.000 0.354 233 Y C 1.399 177.260 175.900 -0.064 0.000 1.089 233 Y CA -0.070 57.987 58.100 -0.072 0.000 1.444 233 Y CB -0.062 38.355 38.460 -0.072 0.000 1.187 233 Y HN 0.752 nan 8.280 nan 0.000 0.523 234 R N 2.892 123.098 120.500 -0.489 0.000 3.610 234 R HA -0.325 4.005 4.340 -0.015 0.000 0.274 234 R C 0.141 176.301 176.300 -0.233 0.000 1.123 234 R CA 1.418 57.251 56.100 -0.445 0.000 0.747 234 R CB -1.927 27.947 30.300 -0.711 0.000 1.149 234 R HN 0.943 nan 8.270 nan 0.000 0.471 235 N N -0.812 117.803 118.700 -0.142 0.000 2.177 235 N HA 0.047 4.778 4.740 -0.015 0.000 0.218 235 N C -0.158 175.305 175.510 -0.079 0.000 1.182 235 N CA -0.433 52.565 53.050 -0.086 0.000 0.882 235 N CB 0.476 38.938 38.487 -0.042 0.000 1.052 235 N HN 0.078 nan 8.380 nan 0.000 0.519 236 N N -0.192 118.456 118.700 -0.086 0.000 2.753 236 N HA -0.139 4.592 4.740 -0.015 0.000 0.251 236 N C -0.930 174.539 175.510 -0.068 0.000 1.097 236 N CA 0.587 53.594 53.050 -0.071 0.000 0.786 236 N CB -1.359 37.086 38.487 -0.069 0.000 1.137 236 N HN 0.201 nan 8.380 nan 0.000 0.566 237 V N 1.203 121.081 119.914 -0.061 0.000 2.432 237 V HA 0.380 4.491 4.120 -0.015 0.000 0.275 237 V C 0.583 176.647 176.094 -0.050 0.000 1.043 237 V CA -0.467 61.804 62.300 -0.048 0.000 0.925 237 V CB 2.015 33.833 31.823 -0.008 0.000 0.985 237 V HN -0.020 nan 8.190 nan 0.000 0.466 238 V N 5.598 125.488 119.914 -0.040 0.000 2.380 238 V HA 0.447 4.558 4.120 -0.015 0.000 0.286 238 V C -0.052 176.029 176.094 -0.021 0.000 1.015 238 V CA -0.872 61.375 62.300 -0.089 0.000 0.834 238 V CB 1.415 33.163 31.823 -0.126 0.000 1.009 238 V HN 0.826 nan 8.190 nan 0.000 0.428 239 N N 1.986 120.642 118.700 -0.072 0.000 2.448 239 N HA 0.557 5.288 4.740 -0.015 0.000 0.274 239 N C -0.040 175.434 175.510 -0.059 0.000 1.239 239 N CA -0.306 52.724 53.050 -0.033 0.000 0.982 239 N CB 1.228 39.656 38.487 -0.098 0.000 1.199 239 N HN 0.583 nan 8.380 nan 0.000 0.576 240 T N 0.789 115.330 114.554 -0.022 0.000 2.807 240 T HA 0.397 4.738 4.350 -0.015 0.000 0.279 240 T C -0.193 174.465 174.700 -0.071 0.000 0.993 240 T CA -0.505 61.647 62.100 0.088 0.000 0.970 240 T CB 0.981 70.025 68.868 0.295 0.000 0.950 240 T HN 0.304 nan 8.240 nan 0.000 0.441 241 M N 3.903 123.424 119.600 -0.133 0.000 2.101 241 M HA 0.508 4.979 4.480 -0.015 0.000 0.340 241 M C -0.469 175.672 176.300 -0.264 0.000 1.057 241 M CA -0.742 54.393 55.300 -0.274 0.000 0.984 241 M CB 0.729 33.106 32.600 -0.372 0.000 1.560 241 M HN 0.492 nan 8.290 nan 0.000 0.435 242 R N 5.923 126.154 120.500 -0.448 0.000 2.265 242 R HA 0.625 4.955 4.340 -0.015 0.000 0.328 242 R C -1.995 174.010 176.300 -0.493 0.000 0.969 242 R CA -0.443 55.345 56.100 -0.520 0.000 0.832 242 R CB 0.922 30.739 30.300 -0.805 0.000 1.139 242 R HN 0.831 nan 8.270 nan 0.000 0.457 243 L N 5.235 126.272 121.223 -0.310 0.000 2.333 243 L HA 0.487 4.818 4.340 -0.015 0.000 0.280 243 L C -0.845 175.980 176.870 -0.075 0.000 1.004 243 L CA -0.898 53.864 54.840 -0.129 0.000 0.820 243 L CB 1.463 43.532 42.059 0.018 0.000 1.247 243 L HN 0.600 nan 8.230 nan 0.000 0.416 244 W N 2.021 123.436 121.300 0.192 0.000 2.316 244 W HA 0.463 5.114 4.660 -0.015 0.000 0.321 244 W C 0.601 177.345 176.519 0.374 0.000 1.203 244 W CA -0.103 57.374 57.345 0.220 0.000 1.214 244 W CB 1.384 30.816 29.460 -0.045 0.000 1.169 244 W HN 0.340 nan 8.180 nan 0.000 0.561 245 S N 1.571 117.686 115.700 0.692 0.000 2.503 245 S HA 0.787 5.248 4.470 -0.015 0.000 0.301 245 S C -0.566 174.401 174.600 0.612 0.000 1.087 245 S CA -0.729 57.796 58.200 0.542 0.000 1.042 245 S CB 0.739 64.204 63.200 0.442 0.000 1.043 245 S HN 0.513 nan 8.310 nan 0.000 0.489 246 A N 4.499 127.514 122.820 0.324 0.000 2.301 246 A HA 0.682 4.992 4.320 -0.015 0.000 0.298 246 A C -0.220 177.424 177.584 0.099 0.000 1.185 246 A CA -0.381 51.731 52.037 0.126 0.000 0.830 246 A CB 0.431 19.204 19.000 -0.378 0.000 1.112 246 A HN 0.649 nan 8.150 nan 0.000 0.508 247 K N 1.240 121.707 120.400 0.110 0.000 2.427 247 K HA 0.604 4.915 4.320 -0.015 0.000 0.252 247 K C -0.468 176.101 176.600 -0.052 0.000 0.931 247 K CA -0.466 55.843 56.287 0.037 0.000 0.793 247 K CB 2.271 34.825 32.500 0.089 0.000 1.211 247 K HN 0.843 nan 8.250 nan 0.000 0.426 248 A N 4.359 127.079 122.820 -0.166 0.000 2.388 248 A HA 0.402 4.713 4.320 -0.015 0.000 0.257 248 A C -2.101 175.423 177.584 -0.100 0.000 1.095 248 A CA -0.976 50.869 52.037 -0.320 0.000 0.791 248 A CB -0.309 18.329 19.000 -0.604 0.000 1.029 248 A HN 0.348 nan 8.150 nan 0.000 0.489 249 P HA 0.110 nan 4.420 nan 0.000 0.272 249 P C -0.059 177.316 177.300 0.125 0.000 1.230 249 P CA -0.373 62.775 63.100 0.079 0.000 0.788 249 P CB 0.610 32.382 31.700 0.121 0.000 0.949 250 N N 0.665 119.425 118.700 0.099 0.000 2.494 250 N HA -0.080 4.651 4.740 -0.015 0.000 0.182 250 N C 0.733 176.315 175.510 0.118 0.000 1.076 250 N CA 0.751 53.861 53.050 0.101 0.000 0.908 250 N CB -0.332 38.198 38.487 0.071 0.000 0.967 250 N HN 0.546 nan 8.380 nan 0.000 0.449 251 D N -0.781 119.692 120.400 0.122 0.000 2.336 251 D HA -0.074 4.557 4.640 -0.015 0.000 0.228 251 D C 0.037 176.408 176.300 0.119 0.000 1.120 251 D CA -0.535 53.526 54.000 0.102 0.000 0.839 251 D CB -0.845 39.997 40.800 0.071 0.000 0.932 251 D HN 0.011 nan 8.370 nan 0.000 0.509 252 F N 2.085 122.046 119.950 0.018 0.000 2.543 252 F HA 0.110 4.627 4.527 -0.015 0.000 0.375 252 F C 0.756 176.557 175.800 0.002 0.000 1.075 252 F CA 0.018 58.025 58.000 0.012 0.000 1.225 252 F CB 0.194 39.201 39.000 0.011 0.000 1.099 252 F HN -0.184 nan 8.300 nan 0.000 0.561 253 N N 2.612 120.929 118.700 -0.638 0.000 2.732 253 N HA -0.275 4.455 4.740 -0.015 0.000 0.250 253 N C -0.890 174.527 175.510 -0.155 0.000 1.097 253 N CA 1.514 54.314 53.050 -0.415 0.000 0.812 253 N CB -1.276 36.996 38.487 -0.358 0.000 1.148 253 N HN 0.541 nan 8.380 nan 0.000 0.572 259 V N 1.463 121.421 119.914 0.073 0.000 2.346 259 V HA 0.061 4.171 4.120 -0.015 0.000 0.244 259 V C 2.434 178.608 176.094 0.134 0.000 1.037 259 V CA 2.126 64.496 62.300 0.116 0.000 1.029 259 V CB -0.918 30.948 31.823 0.071 0.000 0.663 259 V HN 0.815 nan 8.190 nan 0.000 0.454 260 G N 0.655 109.502 108.800 0.077 0.000 2.440 260 G HA2 -0.181 3.770 3.960 -0.015 0.000 0.218 260 G HA3 -0.181 3.770 3.960 -0.015 0.000 0.218 260 G C 1.630 176.558 174.900 0.047 0.000 1.154 260 G CA 1.135 46.266 45.100 0.053 0.000 0.767 260 G HN 0.596 nan 8.290 nan 0.000 0.552 261 G N -0.046 108.787 108.800 0.055 0.000 2.446 261 G HA2 -0.289 3.662 3.960 -0.015 0.000 0.217 261 G HA3 -0.289 3.662 3.960 -0.015 0.000 0.217 261 G C 1.645 176.584 174.900 0.065 0.000 1.168 261 G CA 1.239 46.367 45.100 0.047 0.000 0.771 261 G HN 0.465 nan 8.290 nan 0.000 0.551 262 Y N 1.312 121.614 120.300 0.003 0.000 2.097 262 Y HA -0.162 4.379 4.550 -0.015 0.000 0.282 262 Y C 2.599 178.508 175.900 0.016 0.000 1.152 262 Y CA 1.329 59.434 58.100 0.008 0.000 1.136 262 Y CB -0.182 38.283 38.460 0.009 0.000 0.975 262 Y HN 0.109 nan 8.280 nan 0.000 0.498 263 I N 0.519 121.032 120.570 -0.096 0.000 2.127 263 I HA -0.309 3.852 4.170 -0.015 0.000 0.241 263 I C 2.415 178.438 176.117 -0.158 0.000 1.075 263 I CA 1.784 62.982 61.300 -0.171 0.000 1.334 263 I CB -1.560 36.441 38.000 0.003 0.000 1.040 263 I HN 0.326 nan 8.210 nan 0.000 0.405 264 Q N 1.029 120.784 119.800 -0.075 0.000 2.096 264 Q HA -0.146 4.185 4.340 -0.015 0.000 0.204 264 Q C 2.263 178.227 176.000 -0.060 0.000 0.982 264 Q CA 2.400 58.174 55.803 -0.049 0.000 0.850 264 Q CB -0.440 28.285 28.738 -0.023 0.000 0.901 264 Q HN 0.491 nan 8.270 nan 0.000 0.422 265 A N -0.812 121.955 122.820 -0.089 0.000 1.908 265 A HA -0.163 4.148 4.320 -0.015 0.000 0.218 265 A C 2.273 179.826 177.584 -0.052 0.000 1.181 265 A CA 1.789 53.780 52.037 -0.077 0.000 0.627 265 A CB -0.851 18.100 19.000 -0.082 0.000 0.818 265 A HN 0.274 nan 8.150 nan 0.000 0.445 266 V N 0.098 119.908 119.914 -0.173 0.000 2.358 266 V HA -0.221 3.889 4.120 -0.015 0.000 0.246 266 V C 2.502 178.571 176.094 -0.042 0.000 1.047 266 V CA 1.800 64.019 62.300 -0.134 0.000 1.035 266 V CB -0.714 30.936 31.823 -0.289 0.000 0.658 266 V HN 0.567 nan 8.190 nan 0.000 0.452 267 L N -0.236 120.958 121.223 -0.048 0.000 2.141 267 L HA -0.131 4.199 4.340 -0.015 0.000 0.209 267 L C 2.007 178.898 176.870 0.036 0.000 1.094 267 L CA 1.174 56.008 54.840 -0.009 0.000 0.763 267 L CB -0.663 41.387 42.059 -0.015 0.000 0.908 267 L HN 0.329 nan 8.230 nan 0.000 0.437 268 D N 0.058 120.503 120.400 0.073 0.000 2.371 268 D HA -0.078 4.553 4.640 -0.015 0.000 0.221 268 D C 2.118 178.592 176.300 0.290 0.000 0.986 268 D CA 0.455 54.548 54.000 0.154 0.000 0.899 268 D CB -0.024 40.857 40.800 0.135 0.000 0.902 268 D HN 0.240 nan 8.370 nan 0.000 0.530 269 R N 0.390 121.012 120.500 0.204 0.000 2.159 269 R HA -0.076 4.255 4.340 -0.015 0.000 0.237 269 R C 1.723 177.948 176.300 -0.126 0.000 1.131 269 R CA 0.909 56.990 56.100 -0.031 0.000 0.982 269 R CB -0.286 29.992 30.300 -0.036 0.000 0.868 269 R HN 0.354 nan 8.270 nan 0.000 0.453 270 N N 0.297 118.984 118.700 -0.021 0.000 2.137 270 N HA -0.196 4.535 4.740 -0.015 0.000 0.190 270 N C 1.240 176.736 175.510 -0.024 0.000 1.017 270 N CA 0.770 53.809 53.050 -0.019 0.000 0.859 270 N CB -0.106 38.389 38.487 0.012 0.000 1.002 270 N HN 0.018 nan 8.380 nan 0.000 0.428 271 L N 1.108 122.340 121.223 0.013 0.000 2.012 271 L HA -0.157 4.174 4.340 -0.015 0.000 0.210 271 L C 2.458 179.304 176.870 -0.040 0.000 1.073 271 L CA 1.504 56.362 54.840 0.031 0.000 0.748 271 L CB -1.137 40.999 42.059 0.130 0.000 0.891 271 L HN 0.171 nan 8.230 nan 0.000 0.431 272 A N -1.047 121.679 122.820 -0.156 0.000 1.929 272 A HA -0.152 4.159 4.320 -0.015 0.000 0.216 272 A C 2.137 179.604 177.584 -0.194 0.000 1.176 272 A CA 1.293 53.192 52.037 -0.229 0.000 0.628 272 A CB -0.408 18.292 19.000 -0.500 0.000 0.816 272 A HN 0.517 nan 8.150 nan 0.000 0.444 273 E N 0.030 120.132 120.200 -0.163 0.000 2.435 273 E HA -0.054 4.287 4.350 -0.015 0.000 0.195 273 E C 0.976 177.539 176.600 -0.061 0.000 1.029 273 E CA 0.121 56.457 56.400 -0.106 0.000 0.865 273 E CB -0.086 29.573 29.700 -0.070 0.000 0.833 273 E HN 0.452 nan 8.360 nan 0.000 0.510 274 N N 0.979 119.648 118.700 -0.050 0.000 2.443 274 N HA -0.094 4.637 4.740 -0.015 0.000 0.184 274 N C 1.576 177.078 175.510 -0.014 0.000 1.037 274 N CA 0.626 53.672 53.050 -0.006 0.000 0.896 274 N CB -0.024 38.465 38.487 0.002 0.000 0.959 274 N HN 0.252 nan 8.380 nan 0.000 0.442 275 I N 0.458 120.960 120.570 -0.113 0.000 2.151 275 I HA -0.264 3.897 4.170 -0.015 0.000 0.243 275 I C 1.435 177.511 176.117 -0.068 0.000 1.080 275 I CA 1.329 62.528 61.300 -0.170 0.000 1.339 275 I CB -0.193 37.536 38.000 -0.452 0.000 1.039 275 I HN 0.135 nan 8.210 nan 0.000 0.409 276 S N -0.464 115.192 115.700 -0.073 0.000 2.583 276 S HA 0.177 4.638 4.470 -0.015 0.000 0.239 276 S C 1.452 176.183 174.600 0.220 0.000 0.966 276 S CA -0.500 57.751 58.200 0.084 0.000 0.973 276 S CB 0.231 63.476 63.200 0.074 0.000 0.794 276 S HN 0.217 nan 8.310 nan 0.000 0.463 277 R N 1.267 121.901 120.500 0.223 0.000 2.062 277 R HA 0.287 4.618 4.340 -0.015 0.000 0.226 277 R C 0.340 176.897 176.300 0.428 0.000 1.125 277 R CA 1.054 57.328 56.100 0.290 0.000 0.966 277 R CB -0.211 30.222 30.300 0.221 0.000 0.861 277 R HN 0.387 nan 8.270 nan 0.000 0.433 278 V N 0.554 120.681 119.914 0.354 0.000 2.851 278 V HA 0.352 4.463 4.120 -0.015 0.000 0.307 278 V C -1.582 174.491 176.094 -0.034 0.000 1.129 278 V CA -1.364 61.066 62.300 0.218 0.000 0.932 278 V CB 1.760 33.629 31.823 0.077 0.000 1.024 278 V HN 0.167 nan 8.190 nan 0.000 0.426 279 L N 7.110 128.087 121.223 -0.410 0.000 2.410 279 L HA 0.454 4.785 4.340 -0.015 0.000 0.273 279 L C -0.758 175.947 176.870 -0.276 0.000 1.144 279 L CA 0.470 54.858 54.840 -0.753 0.000 0.863 279 L CB 0.395 41.915 42.059 -0.898 0.000 1.140 279 L HN 0.683 nan 8.230 nan 0.000 0.463 280 Y N 7.016 127.229 120.300 -0.146 0.000 2.650 280 Y HA 0.152 4.693 4.550 -0.015 0.000 0.331 280 Y C -1.329 174.565 175.900 -0.010 0.000 1.165 280 Y CA -1.013 57.072 58.100 -0.024 0.000 1.473 280 Y CB 0.273 38.743 38.460 0.018 0.000 1.224 280 Y HN 0.578 nan 8.280 nan 0.000 0.533 281 P HA 0.021 nan 4.420 nan 0.000 0.249 281 P C -0.829 176.613 177.300 0.238 0.000 1.544 281 P CA 0.094 63.311 63.100 0.194 0.000 0.932 281 P CB 0.139 32.041 31.700 0.337 0.000 1.524 282 N N 1.473 120.317 118.700 0.240 0.000 2.422 282 N HA 0.117 4.848 4.740 -0.015 0.000 0.264 282 N C -0.588 175.067 175.510 0.243 0.000 1.063 282 N CA 0.236 53.447 53.050 0.270 0.000 0.959 282 N CB 0.841 39.508 38.487 0.300 0.000 1.087 282 N HN 0.059 nan 8.380 nan 0.000 0.483 283 D N 1.482 122.051 120.400 0.282 0.000 2.427 283 D HA 0.194 4.825 4.640 -0.015 0.000 0.226 283 D C -0.431 176.076 176.300 0.345 0.000 1.076 283 D CA -0.322 53.841 54.000 0.272 0.000 0.849 283 D CB 0.037 40.992 40.800 0.258 0.000 1.052 283 D HN 0.341 nan 8.370 nan 0.000 0.515 284 N N 3.370 122.242 118.700 0.287 0.000 2.727 284 N HA -0.247 4.484 4.740 -0.015 0.000 0.251 284 N C -1.311 174.432 175.510 0.388 0.000 1.040 284 N CA 0.555 53.769 53.050 0.274 0.000 0.712 284 N CB -0.924 37.684 38.487 0.201 0.000 0.912 284 N HN 0.367 nan 8.380 nan 0.000 0.545 285 F N 0.743 120.792 119.950 0.164 0.000 2.639 285 F HA 0.454 4.972 4.527 -0.015 0.000 0.320 285 F C -1.613 174.262 175.800 0.126 0.000 1.128 285 F CA -1.135 56.938 58.000 0.121 0.000 1.037 285 F CB 0.968 40.000 39.000 0.053 0.000 1.288 285 F HN -0.005 nan 8.300 nan 0.000 0.463 286 F N 5.958 125.399 119.950 -0.849 0.000 2.404 286 F HA 0.506 5.023 4.527 -0.015 0.000 0.354 286 F C -0.532 174.748 175.800 -0.867 0.000 1.122 286 F CA -0.170 57.416 58.000 -0.690 0.000 1.080 286 F CB 0.814 39.501 39.000 -0.522 0.000 1.131 286 F HN 0.597 nan 8.300 nan 0.000 0.471 287 E N 4.052 123.528 120.200 -1.207 0.000 2.155 287 E HA 0.324 4.665 4.350 -0.015 0.000 0.264 287 E C -0.091 175.716 176.600 -1.321 0.000 0.886 287 E CA -0.795 55.021 56.400 -0.973 0.000 0.752 287 E CB 1.405 30.912 29.700 -0.322 0.000 1.133 287 E HN 0.917 nan 8.360 nan 0.000 0.414 288 G N 5.265 113.321 108.800 -1.240 0.000 3.213 288 G HA2 0.033 3.984 3.960 -0.015 0.000 0.263 288 G HA3 0.033 3.984 3.960 -0.015 0.000 0.263 288 G C -0.101 174.758 174.900 -0.068 0.000 0.829 288 G CA -0.209 44.389 45.100 -0.837 0.000 1.983 288 G HN 0.196 nan 8.290 nan 0.000 0.616 289 K N 0.611 121.023 120.400 0.020 0.000 2.156 289 K HA 0.192 4.503 4.320 -0.015 0.000 0.271 289 K C 0.933 177.668 176.600 0.226 0.000 0.995 289 K CA -0.644 55.723 56.287 0.133 0.000 0.890 289 K CB 2.299 34.855 32.500 0.093 0.000 1.073 289 K HN 0.441 nan 8.250 nan 0.000 0.454 290 E N 1.831 122.124 120.200 0.156 0.000 2.085 290 E HA -0.214 4.127 4.350 -0.015 0.000 0.194 290 E C 1.517 178.135 176.600 0.030 0.000 0.994 290 E CA 1.043 57.482 56.400 0.064 0.000 0.801 290 E CB 0.180 29.923 29.700 0.073 0.000 0.743 290 E HN 0.396 nan 8.360 nan 0.000 0.453 291 L N 1.364 122.652 121.223 0.108 0.000 2.042 291 L HA -0.199 4.132 4.340 -0.015 0.000 0.210 291 L C 2.471 179.441 176.870 0.166 0.000 1.076 291 L CA 1.880 56.806 54.840 0.144 0.000 0.749 291 L CB -0.537 41.672 42.059 0.251 0.000 0.893 291 L HN 0.014 nan 8.230 nan 0.000 0.432 292 R N -0.740 119.817 120.500 0.095 0.000 2.092 292 R HA -0.149 4.182 4.340 -0.015 0.000 0.231 292 R C 2.094 178.440 176.300 0.076 0.000 1.119 292 R CA 1.735 57.820 56.100 -0.025 0.000 0.970 292 R CB -0.967 29.089 30.300 -0.406 0.000 0.864 292 R HN 0.400 nan 8.270 nan 0.000 0.440 293 L N 0.863 122.033 121.223 -0.089 0.000 2.046 293 L HA -0.055 4.276 4.340 -0.015 0.000 0.208 293 L C 1.697 178.511 176.870 -0.093 0.000 1.077 293 L CA 1.900 56.492 54.840 -0.414 0.000 0.747 293 L CB -0.427 41.075 42.059 -0.928 0.000 0.896 293 L HN 0.150 nan 8.230 nan 0.000 0.432 294 K N -1.005 119.383 120.400 -0.019 0.000 2.097 294 K HA -0.198 4.113 4.320 -0.015 0.000 0.206 294 K C 2.093 178.857 176.600 0.273 0.000 1.049 294 K CA 1.759 58.105 56.287 0.097 0.000 0.933 294 K CB -0.166 32.203 32.500 -0.217 0.000 0.717 294 K HN 0.502 nan 8.250 nan 0.000 0.442 295 Q N 0.546 120.475 119.800 0.215 0.000 2.084 295 Q HA -0.191 4.140 4.340 -0.015 0.000 0.202 295 Q C 1.951 178.155 176.000 0.340 0.000 0.978 295 Q CA 1.460 57.448 55.803 0.307 0.000 0.844 295 Q CB -0.014 28.928 28.738 0.340 0.000 0.898 295 Q HN 0.388 nan 8.270 nan 0.000 0.426 296 E N -0.164 120.190 120.200 0.257 0.000 2.051 296 E HA -0.212 4.129 4.350 -0.015 0.000 0.192 296 E C 1.770 178.489 176.600 0.200 0.000 0.991 296 E CA 1.029 57.562 56.400 0.222 0.000 0.799 296 E CB -0.162 29.649 29.700 0.185 0.000 0.748 296 E HN 0.315 nan 8.360 nan 0.000 0.449 297 Y N 0.557 120.907 120.300 0.083 0.000 2.200 297 Y HA -0.239 4.302 4.550 -0.015 0.000 0.290 297 Y C 2.012 177.953 175.900 0.068 0.000 1.137 297 Y CA 1.170 59.278 58.100 0.012 0.000 1.163 297 Y CB -0.431 38.001 38.460 -0.048 0.000 0.988 297 Y HN 0.021 nan 8.280 nan 0.000 0.518 298 F N -0.329 119.621 119.950 -0.001 0.000 2.065 298 F HA -0.266 4.251 4.527 -0.015 0.000 0.298 298 F C 2.510 178.164 175.800 -0.244 0.000 1.112 298 F CA 2.084 60.032 58.000 -0.087 0.000 1.212 298 F CB -1.059 38.041 39.000 0.166 0.000 0.975 298 F HN -0.050 nan 8.300 nan 0.000 0.476 299 V N -0.593 119.275 119.914 -0.076 0.000 2.453 299 V HA -0.166 3.945 4.120 -0.015 0.000 0.247 299 V C 2.129 178.085 176.094 -0.230 0.000 1.048 299 V CA 1.814 64.039 62.300 -0.124 0.000 1.049 299 V CB -0.325 31.630 31.823 0.219 0.000 0.672 299 V HN 0.252 nan 8.190 nan 0.000 0.457 300 V N 0.503 120.283 119.914 -0.223 0.000 2.270 300 V HA -0.144 3.966 4.120 -0.015 0.000 0.245 300 V C 2.840 178.687 176.094 -0.411 0.000 1.043 300 V CA 2.108 64.266 62.300 -0.237 0.000 1.014 300 V CB -1.039 30.706 31.823 -0.131 0.000 0.645 300 V HN 0.638 nan 8.190 nan 0.000 0.447 301 A N -0.101 122.302 122.820 -0.694 0.000 1.877 301 A HA -0.129 4.182 4.320 -0.015 0.000 0.216 301 A C 2.407 179.626 177.584 -0.608 0.000 1.186 301 A CA 2.196 53.813 52.037 -0.700 0.000 0.620 301 A CB -0.872 17.485 19.000 -1.071 0.000 0.822 301 A HN 0.570 nan 8.150 nan 0.000 0.443 302 A N -1.046 121.256 122.820 -0.864 0.000 1.902 302 A HA -0.079 4.232 4.320 -0.015 0.000 0.217 302 A C 2.319 179.430 177.584 -0.789 0.000 1.181 302 A CA 2.327 53.663 52.037 -1.168 0.000 0.623 302 A CB -1.312 16.316 19.000 -2.286 0.000 0.818 302 A HN 0.438 nan 8.150 nan 0.000 0.443 303 T N 0.256 114.493 114.554 -0.527 0.000 2.708 303 T HA -0.117 4.223 4.350 -0.015 0.000 0.266 303 T C 1.749 176.194 174.700 -0.426 0.000 1.037 303 T CA 1.594 63.481 62.100 -0.354 0.000 1.146 303 T CB -0.349 68.298 68.868 -0.369 0.000 0.865 303 T HN 0.209 nan 8.240 nan 0.000 0.435 304 L N 1.145 122.162 121.223 -0.343 0.000 2.083 304 L HA -0.079 4.251 4.340 -0.015 0.000 0.209 304 L C 2.654 179.415 176.870 -0.181 0.000 1.083 304 L CA 1.611 56.299 54.840 -0.254 0.000 0.752 304 L CB -0.804 41.146 42.059 -0.181 0.000 0.899 304 L HN 0.312 nan 8.230 nan 0.000 0.433 305 Q N -1.045 118.648 119.800 -0.178 0.000 2.084 305 Q HA -0.239 4.092 4.340 -0.015 0.000 0.202 305 Q C 1.836 177.811 176.000 -0.042 0.000 0.978 305 Q CA 1.612 57.359 55.803 -0.092 0.000 0.844 305 Q CB -0.177 28.496 28.738 -0.109 0.000 0.898 305 Q HN 0.431 nan 8.270 nan 0.000 0.426 306 D N 0.527 120.892 120.400 -0.058 0.000 2.117 306 D HA -0.104 4.527 4.640 -0.015 0.000 0.197 306 D C 1.688 177.933 176.300 -0.091 0.000 0.987 306 D CA 0.870 54.876 54.000 0.010 0.000 0.829 306 D CB -0.038 40.848 40.800 0.144 0.000 0.961 306 D HN 0.159 nan 8.370 nan 0.000 0.460 307 I N 0.089 120.490 120.570 -0.282 0.000 2.179 307 I HA -0.257 3.903 4.170 -0.015 0.000 0.242 307 I C 2.290 178.410 176.117 0.004 0.000 1.088 307 I CA 0.795 61.867 61.300 -0.380 0.000 1.357 307 I CB -0.154 37.467 38.000 -0.630 0.000 1.051 307 I HN 0.034 nan 8.210 nan 0.000 0.409 308 I N 0.208 120.839 120.570 0.102 0.000 2.202 308 I HA -0.299 3.862 4.170 -0.015 0.000 0.242 308 I C 2.785 179.063 176.117 0.268 0.000 1.091 308 I CA 1.204 62.683 61.300 0.298 0.000 1.368 308 I CB -0.422 37.712 38.000 0.223 0.000 1.058 308 I HN 0.169 nan 8.210 nan 0.000 0.410 309 R N 1.083 121.675 120.500 0.153 0.000 2.113 309 R HA -0.260 4.071 4.340 -0.015 0.000 0.244 309 R C 2.484 178.865 176.300 0.134 0.000 1.142 309 R CA 1.996 58.174 56.100 0.131 0.000 0.953 309 R CB -0.303 30.060 30.300 0.105 0.000 0.860 309 R HN 0.230 nan 8.270 nan 0.000 0.438 310 R N -0.751 119.827 120.500 0.130 0.000 2.092 310 R HA -0.151 4.179 4.340 -0.015 0.000 0.231 310 R C 2.203 178.604 176.300 0.168 0.000 1.119 310 R CA 1.631 57.814 56.100 0.138 0.000 0.970 310 R CB -0.339 30.032 30.300 0.119 0.000 0.864 310 R HN 0.293 nan 8.270 nan 0.000 0.440 311 F N 1.426 121.415 119.950 0.065 0.000 2.186 311 F HA -0.106 4.412 4.527 -0.015 0.000 0.299 311 F C 1.662 177.474 175.800 0.019 0.000 1.090 311 F CA 1.493 59.520 58.000 0.045 0.000 1.307 311 F CB 0.070 39.137 39.000 0.113 0.000 1.019 311 F HN -0.153 nan 8.300 nan 0.000 0.489 312 K N -0.366 120.014 120.400 -0.035 0.000 2.288 312 K HA -0.004 4.306 4.320 -0.015 0.000 0.201 312 K C 1.315 177.828 176.600 -0.146 0.000 1.048 312 K CA 1.100 57.288 56.287 -0.165 0.000 0.956 312 K CB -0.174 32.340 32.500 0.023 0.000 0.746 312 K HN 0.108 nan 8.250 nan 0.000 0.461 313 S N 1.196 116.867 115.700 -0.048 0.000 2.677 313 S HA 0.125 4.586 4.470 -0.015 0.000 0.246 313 S C 0.069 174.653 174.600 -0.027 0.000 1.005 313 S CA -0.320 57.889 58.200 0.015 0.000 1.062 313 S CB 0.270 63.545 63.200 0.125 0.000 0.778 313 S HN 0.104 nan 8.310 nan 0.000 0.461 325 N N 0.719 119.378 118.700 -0.069 0.000 2.527 325 N HA 0.313 5.044 4.740 -0.015 0.000 0.236 325 N C -0.590 174.978 175.510 0.096 0.000 0.999 325 N CA -0.132 52.950 53.050 0.052 0.000 0.935 325 N CB 0.373 38.892 38.487 0.052 0.000 1.132 325 N HN 0.106 nan 8.380 nan 0.000 0.511 326 F N 1.803 121.863 119.950 0.185 0.000 2.811 326 F HA 0.102 4.620 4.527 -0.015 0.000 0.301 326 F C 1.375 177.238 175.800 0.104 0.000 1.151 326 F CA 0.016 58.095 58.000 0.131 0.000 1.412 326 F CB 0.354 39.311 39.000 -0.072 0.000 1.113 326 F HN 0.473 nan 8.300 nan 0.000 0.579 327 D N 0.362 120.904 120.400 0.236 0.000 2.178 327 D HA -0.161 4.470 4.640 -0.015 0.000 0.201 327 D C 2.163 178.556 176.300 0.155 0.000 0.980 327 D CA 1.282 55.378 54.000 0.160 0.000 0.842 327 D CB -0.032 40.838 40.800 0.117 0.000 0.948 327 D HN 0.243 nan 8.370 nan 0.000 0.472 328 A N -0.781 122.161 122.820 0.203 0.000 2.275 328 A HA 0.111 4.421 4.320 -0.015 0.000 0.212 328 A C 1.548 179.244 177.584 0.188 0.000 1.201 328 A CA -0.313 51.840 52.037 0.193 0.000 0.843 328 A CB -0.694 18.429 19.000 0.205 0.000 0.873 328 A HN 0.213 nan 8.150 nan 0.000 0.492 329 F N 2.018 121.913 119.950 -0.092 0.000 2.063 329 F HA -0.186 4.332 4.527 -0.015 0.000 0.298 329 F C -0.777 174.904 175.800 -0.199 0.000 1.109 329 F CA 2.816 60.535 58.000 -0.468 0.000 1.212 329 F CB -0.604 38.123 39.000 -0.455 0.000 0.973 329 F HN 0.207 nan 8.300 nan 0.000 0.480 330 P HA -0.087 nan 4.420 nan 0.000 0.226 330 P C 0.713 177.976 177.300 -0.062 0.000 1.153 330 P CA 1.418 64.492 63.100 -0.043 0.000 0.777 330 P CB -0.079 31.623 31.700 0.003 0.000 0.794 331 D N -0.698 119.686 120.400 -0.027 0.000 2.277 331 D HA -0.040 4.591 4.640 -0.015 0.000 0.208 331 D C 1.549 177.838 176.300 -0.017 0.000 0.962 331 D CA 0.926 54.922 54.000 -0.006 0.000 0.865 331 D CB 0.102 40.919 40.800 0.029 0.000 0.939 331 D HN 0.150 nan 8.370 nan 0.000 0.510 332 K N 0.049 120.417 120.400 -0.054 0.000 2.380 332 K HA 0.198 4.509 4.320 -0.015 0.000 0.198 332 K C 0.016 176.534 176.600 -0.137 0.000 1.070 332 K CA 0.111 56.377 56.287 -0.035 0.000 1.040 332 K CB 2.172 34.759 32.500 0.145 0.000 0.903 332 K HN -0.051 nan 8.250 nan 0.000 0.549 333 V N 1.086 120.830 119.914 -0.284 0.000 2.638 333 V HA 0.589 4.700 4.120 -0.015 0.000 0.306 333 V C -0.985 175.024 176.094 -0.141 0.000 1.052 333 V CA -1.291 60.844 62.300 -0.275 0.000 0.885 333 V CB 1.766 33.149 31.823 -0.733 0.000 0.999 333 V HN 0.106 nan 8.190 nan 0.000 0.424 334 A N 5.680 128.464 122.820 -0.060 0.000 2.331 334 A HA 0.928 5.239 4.320 -0.015 0.000 0.320 334 A C -0.907 176.695 177.584 0.031 0.000 1.138 334 A CA -0.499 51.529 52.037 -0.015 0.000 0.790 334 A CB 0.933 19.867 19.000 -0.110 0.000 1.206 334 A HN 0.780 nan 8.150 nan 0.000 0.470 335 I N 1.903 122.532 120.570 0.098 0.000 2.382 335 I HA 0.282 4.443 4.170 -0.015 0.000 0.286 335 I C -0.302 175.896 176.117 0.134 0.000 1.002 335 I CA -0.510 60.859 61.300 0.115 0.000 1.135 335 I CB 1.881 39.932 38.000 0.085 0.000 1.288 335 I HN 0.694 nan 8.210 nan 0.000 0.448 336 Q N 6.780 126.656 119.800 0.126 0.000 2.278 336 Q HA 0.522 4.853 4.340 -0.015 0.000 0.257 336 Q C -1.347 174.645 176.000 -0.013 0.000 0.928 336 Q CA -0.227 55.680 55.803 0.174 0.000 0.932 336 Q CB 1.336 30.291 28.738 0.360 0.000 1.221 336 Q HN 0.573 nan 8.270 nan 0.000 0.434 337 L N 3.839 125.092 121.223 0.049 0.000 2.255 337 L HA 0.410 4.741 4.340 -0.015 0.000 0.289 337 L C -0.003 176.880 176.870 0.022 0.000 1.046 337 L CA -0.779 54.078 54.840 0.028 0.000 0.816 337 L CB 0.790 42.917 42.059 0.114 0.000 1.197 337 L HN 0.565 nan 8.230 nan 0.000 0.427 338 N N 3.853 122.485 118.700 -0.114 0.000 2.466 338 N HA 0.061 4.791 4.740 -0.015 0.000 0.263 338 N C -0.175 175.344 175.510 0.016 0.000 1.178 338 N CA 0.539 53.576 53.050 -0.022 0.000 0.983 338 N CB -0.185 38.214 38.487 -0.147 0.000 1.331 338 N HN 0.594 nan 8.380 nan 0.000 0.500 339 D N -0.487 120.011 120.400 0.163 0.000 4.160 339 D HA -0.230 4.401 4.640 -0.015 0.000 0.291 339 D C 0.555 176.934 176.300 0.132 0.000 2.226 339 D CA 1.713 55.796 54.000 0.138 0.000 1.157 339 D CB -0.537 40.122 40.800 -0.234 0.000 1.020 339 D HN 0.493 nan 8.370 nan 0.000 1.219 340 T N -2.827 111.736 114.554 0.015 0.000 3.129 340 T HA 0.075 4.416 4.350 -0.015 0.000 0.251 340 T C 1.623 176.378 174.700 0.092 0.000 1.117 340 T CA 1.603 63.696 62.100 -0.012 0.000 1.034 340 T CB -0.514 68.319 68.868 -0.059 0.000 0.968 340 T HN 0.528 nan 8.240 nan 0.000 0.526 341 H N 2.663 121.812 119.070 0.133 0.000 2.353 341 H HA -0.007 4.540 4.556 -0.015 0.000 0.298 341 H C -0.921 174.493 175.328 0.143 0.000 1.103 341 H CA 1.012 57.154 56.048 0.156 0.000 1.293 341 H CB -0.966 28.890 29.762 0.157 0.000 1.372 341 H HN 0.442 nan 8.280 nan 0.000 0.501 342 P HA 0.079 nan 4.420 nan 0.000 0.254 342 P C 0.731 178.074 177.300 0.072 0.000 1.620 342 P CA 0.303 63.482 63.100 0.130 0.000 1.050 342 P CB 0.315 32.079 31.700 0.107 0.000 1.539 343 S N -0.189 115.547 115.700 0.061 0.000 2.419 343 S HA -0.145 4.316 4.470 -0.015 0.000 0.235 343 S C 1.725 176.327 174.600 0.004 0.000 1.019 343 S CA 0.871 59.067 58.200 -0.006 0.000 0.982 343 S CB -1.499 61.672 63.200 -0.048 0.000 0.789 343 S HN 0.156 nan 8.310 nan 0.000 0.490 344 L N 1.130 122.370 121.223 0.029 0.000 2.450 344 L HA 0.003 4.334 4.340 -0.015 0.000 0.224 344 L C 2.971 179.874 176.870 0.054 0.000 1.149 344 L CA 0.627 55.484 54.840 0.029 0.000 0.816 344 L CB -0.829 41.246 42.059 0.027 0.000 0.932 344 L HN 0.467 nan 8.230 nan 0.000 0.449 345 A N 0.725 123.561 122.820 0.026 0.000 1.948 345 A HA -0.233 4.078 4.320 -0.015 0.000 0.220 345 A C 2.191 179.775 177.584 -0.000 0.000 1.177 345 A CA 1.763 53.801 52.037 0.002 0.000 0.636 345 A CB -0.545 18.448 19.000 -0.011 0.000 0.815 345 A HN 0.386 nan 8.150 nan 0.000 0.449 346 I N 0.191 120.761 120.570 -0.000 0.000 2.090 346 I HA -0.150 4.011 4.170 -0.015 0.000 0.236 346 I C -0.375 175.759 176.117 0.027 0.000 1.064 346 I CA 1.621 62.919 61.300 -0.005 0.000 1.324 346 I CB -1.036 36.962 38.000 -0.003 0.000 1.044 346 I HN 0.248 nan 8.210 nan 0.000 0.399 347 P HA -0.160 nan 4.420 nan 0.000 0.223 347 P C 1.261 178.594 177.300 0.056 0.000 1.151 347 P CA 1.427 64.564 63.100 0.061 0.000 0.787 347 P CB 0.028 31.785 31.700 0.094 0.000 0.788 348 E N 0.177 120.467 120.200 0.151 0.000 2.072 348 E HA -0.146 4.195 4.350 -0.015 0.000 0.191 348 E C 1.892 178.485 176.600 -0.011 0.000 0.985 348 E CA 0.652 57.154 56.400 0.170 0.000 0.801 348 E CB -1.158 28.692 29.700 0.250 0.000 0.750 348 E HN -0.014 nan 8.360 nan 0.000 0.452 349 L N 0.012 121.197 121.223 -0.063 0.000 2.046 349 L HA -0.098 4.233 4.340 -0.015 0.000 0.208 349 L C 2.060 178.796 176.870 -0.224 0.000 1.077 349 L CA 1.742 56.487 54.840 -0.158 0.000 0.747 349 L CB -0.619 41.349 42.059 -0.151 0.000 0.896 349 L HN 0.237 nan 8.230 nan 0.000 0.432 350 M N -0.741 118.741 119.600 -0.197 0.000 2.080 350 M HA -0.241 4.229 4.480 -0.015 0.000 0.260 350 M C 2.430 178.571 176.300 -0.266 0.000 1.068 350 M CA 1.634 56.765 55.300 -0.282 0.000 1.109 350 M CB -1.285 31.135 32.600 -0.300 0.000 1.342 350 M HN 0.330 nan 8.290 nan 0.000 0.405 351 R N 0.026 120.398 120.500 -0.213 0.000 2.083 351 R HA -0.138 4.193 4.340 -0.015 0.000 0.237 351 R C 2.097 178.297 176.300 -0.168 0.000 1.137 351 R CA 1.759 57.735 56.100 -0.207 0.000 0.951 351 R CB -0.215 29.914 30.300 -0.285 0.000 0.851 351 R HN 0.217 nan 8.270 nan 0.000 0.434 352 V N 1.440 121.254 119.914 -0.166 0.000 2.295 352 V HA -0.257 3.853 4.120 -0.015 0.000 0.246 352 V C 2.401 178.335 176.094 -0.266 0.000 1.049 352 V CA 1.779 63.974 62.300 -0.175 0.000 1.024 352 V CB -0.403 31.318 31.823 -0.170 0.000 0.648 352 V HN 0.354 nan 8.190 nan 0.000 0.447 353 L N -0.718 120.286 121.223 -0.365 0.000 2.093 353 L HA -0.115 4.216 4.340 -0.015 0.000 0.208 353 L C 2.327 179.009 176.870 -0.314 0.000 1.085 353 L CA 0.980 55.532 54.840 -0.480 0.000 0.755 353 L CB -0.532 41.198 42.059 -0.549 0.000 0.904 353 L HN 0.214 nan 8.230 nan 0.000 0.435 354 V N -0.703 119.074 119.914 -0.229 0.000 2.341 354 V HA -0.148 3.963 4.120 -0.015 0.000 0.240 354 V C 1.881 177.932 176.094 -0.072 0.000 1.035 354 V CA 1.559 63.786 62.300 -0.122 0.000 1.033 354 V CB -0.280 31.499 31.823 -0.073 0.000 0.678 354 V HN 0.313 nan 8.190 nan 0.000 0.464 355 D N -0.035 120.320 120.400 -0.075 0.000 2.194 355 D HA 0.005 4.636 4.640 -0.015 0.000 0.204 355 D C 1.981 178.256 176.300 -0.042 0.000 0.964 355 D CA 1.124 55.098 54.000 -0.042 0.000 0.846 355 D CB 0.124 40.898 40.800 -0.043 0.000 0.962 355 D HN 0.328 nan 8.370 nan 0.000 0.490 356 L N 0.020 121.202 121.223 -0.068 0.000 2.362 356 L HA 0.143 4.474 4.340 -0.015 0.000 0.204 356 L C 1.770 178.611 176.870 -0.047 0.000 1.060 356 L CA 0.432 55.243 54.840 -0.049 0.000 0.827 356 L CB 0.127 42.159 42.059 -0.046 0.000 1.027 356 L HN -0.191 nan 8.230 nan 0.000 0.474 357 E N 0.374 120.511 120.200 -0.105 0.000 2.447 357 E HA 0.049 4.390 4.350 -0.015 0.000 0.195 357 E C 0.110 176.675 176.600 -0.060 0.000 1.028 357 E CA -0.046 56.299 56.400 -0.091 0.000 0.876 357 E CB 0.410 29.939 29.700 -0.285 0.000 0.885 357 E HN 0.189 nan 8.360 nan 0.000 0.500 358 R N -0.321 120.140 120.500 -0.066 0.000 3.776 358 R HA -0.183 4.147 4.340 -0.015 0.000 0.312 358 R C -0.240 176.045 176.300 -0.024 0.000 1.181 358 R CA 0.237 56.321 56.100 -0.026 0.000 0.836 358 R CB -2.890 27.413 30.300 0.006 0.000 1.324 358 R HN 0.092 nan 8.270 nan 0.000 0.501 359 L N 2.343 123.520 121.223 -0.076 0.000 2.452 359 L HA 0.119 4.450 4.340 -0.015 0.000 0.267 359 L C 1.535 178.394 176.870 -0.017 0.000 1.188 359 L CA 0.395 55.200 54.840 -0.058 0.000 0.821 359 L CB 0.338 42.311 42.059 -0.143 0.000 1.102 359 L HN 0.146 nan 8.230 nan 0.000 0.470 360 D N 1.036 121.451 120.400 0.025 0.000 2.357 360 D HA -0.123 4.507 4.640 -0.015 0.000 0.242 360 D C 0.883 177.249 176.300 0.110 0.000 1.153 360 D CA -0.552 53.498 54.000 0.083 0.000 0.918 360 D CB 0.738 41.593 40.800 0.092 0.000 1.181 360 D HN 0.616 nan 8.370 nan 0.000 0.435 361 W N 2.142 123.445 121.300 0.005 0.000 2.315 361 W HA -0.227 4.424 4.660 -0.015 0.000 0.323 361 W C 1.144 177.708 176.519 0.074 0.000 1.233 361 W CA 1.917 59.272 57.345 0.016 0.000 1.267 361 W CB -0.335 29.115 29.460 -0.016 0.000 1.160 361 W HN 0.486 nan 8.180 nan 0.000 0.474 362 D N 0.331 120.946 120.400 0.358 0.000 2.144 362 D HA -0.203 4.428 4.640 -0.015 0.000 0.199 362 D C 1.855 178.265 176.300 0.185 0.000 0.984 362 D CA 1.886 56.071 54.000 0.308 0.000 0.834 362 D CB -0.376 40.572 40.800 0.247 0.000 0.955 362 D HN 0.125 nan 8.370 nan 0.000 0.465 363 K N 1.478 121.940 120.400 0.104 0.000 2.031 363 K HA 0.012 4.323 4.320 -0.015 0.000 0.205 363 K C 1.908 178.498 176.600 -0.017 0.000 1.049 363 K CA 1.445 57.763 56.287 0.051 0.000 0.939 363 K CB -0.579 31.947 32.500 0.042 0.000 0.717 363 K HN -0.025 nan 8.250 nan 0.000 0.438 364 A N 0.869 123.635 122.820 -0.090 0.000 1.917 364 A HA -0.209 4.102 4.320 -0.015 0.000 0.219 364 A C 2.272 179.756 177.584 -0.166 0.000 1.182 364 A CA 1.647 53.559 52.037 -0.207 0.000 0.633 364 A CB -1.297 17.513 19.000 -0.318 0.000 0.819 364 A HN 0.713 nan 8.150 nan 0.000 0.448 365 W N 0.558 121.648 121.300 -0.350 0.000 2.358 365 W HA -0.172 4.479 4.660 -0.015 0.000 0.303 365 W C 2.001 178.462 176.519 -0.096 0.000 1.208 365 W CA 1.839 59.030 57.345 -0.257 0.000 1.274 365 W CB -0.163 29.183 29.460 -0.190 0.000 1.138 365 W HN 0.621 nan 8.180 nan 0.000 0.515 366 E N 0.116 120.298 120.200 -0.031 0.000 2.058 366 E HA -0.232 4.109 4.350 -0.015 0.000 0.194 366 E C 2.060 178.580 176.600 -0.133 0.000 0.997 366 E CA 2.004 58.354 56.400 -0.083 0.000 0.801 366 E CB -0.319 29.395 29.700 0.024 0.000 0.746 366 E HN 0.052 nan 8.360 nan 0.000 0.450 367 V N 0.677 120.528 119.914 -0.106 0.000 2.295 367 V HA -0.271 3.840 4.120 -0.015 0.000 0.246 367 V C 2.396 178.423 176.094 -0.113 0.000 1.049 367 V CA 2.212 64.467 62.300 -0.075 0.000 1.024 367 V CB -0.795 30.973 31.823 -0.092 0.000 0.648 367 V HN 0.397 nan 8.190 nan 0.000 0.447 368 T N 0.018 114.433 114.554 -0.232 0.000 2.652 368 T HA -0.195 4.146 4.350 -0.015 0.000 0.267 368 T C 1.940 176.464 174.700 -0.294 0.000 1.039 368 T CA 1.844 63.782 62.100 -0.269 0.000 1.153 368 T CB -0.329 68.320 68.868 -0.364 0.000 0.863 368 T HN 0.269 nan 8.240 nan 0.000 0.428 369 V N 1.372 120.996 119.914 -0.482 0.000 2.343 369 V HA -0.173 3.938 4.120 -0.015 0.000 0.247 369 V C 2.359 178.408 176.094 -0.074 0.000 1.051 369 V CA 1.658 63.728 62.300 -0.383 0.000 1.036 369 V CB -0.481 31.032 31.823 -0.518 0.000 0.654 369 V HN 0.471 nan 8.190 nan 0.000 0.451 370 K N -0.612 119.734 120.400 -0.090 0.000 2.365 370 K HA -0.076 4.235 4.320 -0.015 0.000 0.199 370 K C 2.065 178.650 176.600 -0.026 0.000 1.045 370 K CA 1.431 57.658 56.287 -0.099 0.000 0.962 370 K CB -0.167 32.268 32.500 -0.109 0.000 0.759 370 K HN 0.463 nan 8.250 nan 0.000 0.469 371 T N 0.194 114.782 114.554 0.056 0.000 2.976 371 T HA 0.022 4.363 4.350 -0.015 0.000 0.257 371 T C 0.899 175.705 174.700 0.177 0.000 1.051 371 T CA 0.389 62.555 62.100 0.110 0.000 1.141 371 T CB 0.119 69.081 68.868 0.158 0.000 0.881 371 T HN 0.167 nan 8.240 nan 0.000 0.461 372 C N 2.293 121.680 119.300 0.146 0.000 2.405 372 C HA 0.887 5.338 4.460 -0.015 0.000 0.365 372 C C 0.585 175.624 174.990 0.081 0.000 1.233 372 C CA -1.191 57.889 59.018 0.103 0.000 2.230 372 C CB 0.188 27.930 27.740 0.003 0.000 2.443 372 C HN 0.594 nan 8.230 nan 0.000 0.556 373 A N 1.905 124.768 122.820 0.071 0.000 2.539 373 A HA 0.778 5.089 4.320 -0.015 0.000 0.296 373 A C -1.616 176.033 177.584 0.109 0.000 1.073 373 A CA -0.429 51.600 52.037 -0.014 0.000 0.700 373 A CB 1.102 20.099 19.000 -0.005 0.000 1.296 373 A HN 0.955 nan 8.150 nan 0.000 0.405 374 Y N 0.970 121.215 120.300 -0.092 0.000 2.391 374 Y HA 0.633 5.174 4.550 -0.015 0.000 0.341 374 Y C -0.600 175.274 175.900 -0.044 0.000 0.965 374 Y CA -0.308 57.747 58.100 -0.075 0.000 1.067 374 Y CB 2.087 40.457 38.460 -0.150 0.000 1.199 374 Y HN 0.579 nan 8.280 nan 0.000 0.450 375 T N 6.485 120.807 114.554 -0.387 0.000 2.758 375 T HA 0.199 4.540 4.350 -0.015 0.000 0.285 375 T C -0.781 173.451 174.700 -0.780 0.000 0.981 375 T CA -0.793 61.025 62.100 -0.471 0.000 0.965 375 T CB 0.491 69.325 68.868 -0.057 0.000 0.927 375 T HN 0.643 nan 8.240 nan 0.000 0.448 376 N N 1.668 119.907 118.700 -0.769 0.000 2.456 376 N HA 0.137 4.867 4.740 -0.015 0.000 0.288 376 N C 0.010 175.395 175.510 -0.207 0.000 1.059 376 N CA -0.320 52.506 53.050 -0.372 0.000 0.946 376 N CB 0.774 39.200 38.487 -0.102 0.000 1.150 376 N HN 0.663 nan 8.380 nan 0.000 0.479 377 H N 0.937 120.037 119.070 0.050 0.000 3.058 377 H HA 0.165 4.711 4.556 -0.015 0.000 0.266 377 H C -0.225 175.036 175.328 -0.111 0.000 1.135 377 H CA 0.039 56.069 56.048 -0.030 0.000 1.174 377 H CB 1.200 30.951 29.762 -0.018 0.000 1.581 377 H HN 0.522 nan 8.280 nan 0.000 0.553 378 T N 0.174 114.765 114.554 0.062 0.000 2.886 378 T HA 0.228 4.569 4.350 -0.015 0.000 0.330 378 T C 0.558 175.290 174.700 0.054 0.000 1.488 378 T CA -0.315 61.771 62.100 -0.023 0.000 1.054 378 T CB 1.276 70.126 68.868 -0.031 0.000 1.348 378 T HN -0.052 nan 8.240 nan 0.000 0.489 379 V N 1.771 121.677 119.914 -0.014 0.000 3.661 379 V HA 0.543 4.654 4.120 -0.015 0.000 0.271 379 V C 0.870 176.931 176.094 -0.055 0.000 1.315 379 V CA 0.059 62.343 62.300 -0.028 0.000 1.072 379 V CB -0.488 31.320 31.823 -0.025 0.000 0.830 379 V HN 0.722 nan 8.190 nan 0.000 0.443 380 L N 3.073 124.253 121.223 -0.072 0.000 2.584 380 L HA 0.161 4.492 4.340 -0.015 0.000 0.272 380 L C -0.567 176.308 176.870 0.008 0.000 1.195 380 L CA -0.874 53.948 54.840 -0.031 0.000 0.920 380 L CB 0.539 42.567 42.059 -0.053 0.000 1.173 380 L HN 0.153 nan 8.230 nan 0.000 0.489 381 P HA -0.214 nan 4.420 nan 0.000 0.216 381 P C 1.032 178.347 177.300 0.026 0.000 1.150 381 P CA 1.272 64.379 63.100 0.011 0.000 0.837 381 P CB 0.040 31.750 31.700 0.016 0.000 0.786 382 E N 0.433 120.682 120.200 0.082 0.000 2.338 382 E HA -0.081 4.260 4.350 -0.015 0.000 0.197 382 E C 1.739 178.366 176.600 0.044 0.000 1.007 382 E CA 1.200 57.662 56.400 0.104 0.000 0.849 382 E CB -0.847 29.022 29.700 0.282 0.000 0.774 382 E HN 0.195 nan 8.360 nan 0.000 0.506 383 A N 1.445 124.307 122.820 0.070 0.000 2.072 383 A HA 0.183 4.494 4.320 -0.015 0.000 0.216 383 A C 1.490 179.072 177.584 -0.004 0.000 1.156 383 A CA -0.176 51.902 52.037 0.069 0.000 0.701 383 A CB -0.202 18.857 19.000 0.099 0.000 0.816 383 A HN 0.162 nan 8.150 nan 0.000 0.458 384 L N 1.482 122.663 121.223 -0.069 0.000 2.453 384 L HA 0.086 4.417 4.340 -0.015 0.000 0.272 384 L C -0.019 176.548 176.870 -0.506 0.000 1.182 384 L CA -0.133 54.604 54.840 -0.172 0.000 0.858 384 L CB 0.466 42.453 42.059 -0.120 0.000 1.120 384 L HN 0.355 nan 8.230 nan 0.000 0.474 385 E N 4.279 124.079 120.200 -0.666 0.000 2.217 385 E HA 0.187 4.527 4.350 -0.015 0.000 0.279 385 E C -0.586 175.370 176.600 -1.074 0.000 1.068 385 E CA -0.121 55.432 56.400 -1.411 0.000 0.882 385 E CB 0.643 29.845 29.700 -0.830 0.000 1.039 385 E HN 0.395 nan 8.360 nan 0.000 0.418 386 R N 3.800 123.523 120.500 -1.295 0.000 2.487 386 R HA 0.186 4.517 4.340 -0.015 0.000 0.288 386 R C -1.221 174.905 176.300 -0.289 0.000 1.394 386 R CA -0.550 55.240 56.100 -0.517 0.000 1.155 386 R CB 0.744 30.883 30.300 -0.267 0.000 1.156 386 R HN 0.450 nan 8.270 nan 0.000 0.553 387 W N 4.420 125.665 121.300 -0.092 0.000 2.311 387 W HA 0.239 4.890 4.660 -0.015 0.000 0.310 387 W C -1.855 174.638 176.519 -0.042 0.000 1.274 387 W CA -2.094 55.261 57.345 0.017 0.000 1.215 387 W CB 0.623 30.069 29.460 -0.023 0.000 1.227 387 W HN 0.236 nan 8.180 nan 0.000 0.523 388 P HA -0.118 nan 4.420 nan 0.000 0.264 388 P C 0.823 178.060 177.300 -0.105 0.000 1.183 388 P CA 0.299 63.375 63.100 -0.040 0.000 0.763 388 P CB 0.704 32.230 31.700 -0.290 0.000 0.807 389 V N 3.212 123.107 119.914 -0.032 0.000 2.392 389 V HA -0.280 3.831 4.120 -0.015 0.000 0.249 389 V C 2.127 178.219 176.094 -0.004 0.000 1.059 389 V CA 2.537 64.842 62.300 0.008 0.000 1.051 389 V CB -1.668 30.223 31.823 0.112 0.000 0.658 389 V HN 0.757 nan 8.190 nan 0.000 0.455 390 H N -1.191 117.936 119.070 0.095 0.000 2.457 390 H HA -0.057 4.490 4.556 -0.015 0.000 0.294 390 H C 2.017 177.391 175.328 0.077 0.000 1.064 390 H CA 1.497 57.596 56.048 0.085 0.000 1.330 390 H CB -0.605 29.208 29.762 0.085 0.000 1.395 390 H HN 0.344 nan 8.280 nan 0.000 0.541 391 L N 0.033 121.118 121.223 -0.230 0.000 2.005 391 L HA -0.117 4.214 4.340 -0.015 0.000 0.207 391 L C 2.405 179.229 176.870 -0.077 0.000 1.072 391 L CA 1.162 55.961 54.840 -0.069 0.000 0.744 391 L CB -0.306 41.700 42.059 -0.088 0.000 0.895 391 L HN 0.316 nan 8.230 nan 0.000 0.433 392 L N -0.586 120.565 121.223 -0.119 0.000 2.083 392 L HA -0.234 4.097 4.340 -0.015 0.000 0.209 392 L C 2.514 179.322 176.870 -0.104 0.000 1.083 392 L CA 1.104 55.849 54.840 -0.159 0.000 0.752 392 L CB -0.404 41.551 42.059 -0.174 0.000 0.899 392 L HN 0.330 nan 8.230 nan 0.000 0.433 393 E N -0.409 119.774 120.200 -0.029 0.000 2.085 393 E HA -0.217 4.123 4.350 -0.015 0.000 0.194 393 E C 1.921 178.557 176.600 0.059 0.000 0.994 393 E CA 1.949 58.365 56.400 0.025 0.000 0.801 393 E CB 0.137 29.892 29.700 0.092 0.000 0.743 393 E HN 0.405 nan 8.360 nan 0.000 0.453 394 T N 0.670 115.281 114.554 0.096 0.000 2.809 394 T HA -0.073 4.268 4.350 -0.015 0.000 0.260 394 T C 1.726 176.529 174.700 0.171 0.000 1.039 394 T CA 0.787 62.993 62.100 0.176 0.000 1.141 394 T CB -0.153 68.851 68.868 0.227 0.000 0.869 394 T HN 0.074 nan 8.240 nan 0.000 0.437 395 L N 0.030 121.255 121.223 0.002 0.000 2.131 395 L HA 0.331 4.662 4.340 -0.015 0.000 0.206 395 L C 0.452 177.260 176.870 -0.103 0.000 1.087 395 L CA 1.590 56.310 54.840 -0.201 0.000 0.767 395 L CB 0.024 41.923 42.059 -0.265 0.000 0.917 395 L HN 0.175 nan 8.230 nan 0.000 0.441 396 L N 0.600 121.726 121.223 -0.161 0.000 2.625 396 L HA 0.285 4.615 4.340 -0.015 0.000 0.255 396 L C -1.694 174.994 176.870 -0.303 0.000 1.493 396 L CA -0.911 53.748 54.840 -0.301 0.000 0.796 396 L CB 0.847 42.588 42.059 -0.529 0.000 1.064 396 L HN -0.052 nan 8.230 nan 0.000 0.516 397 P HA -0.188 nan 4.420 nan 0.000 0.216 397 P C 1.466 178.575 177.300 -0.318 0.000 1.150 397 P CA 1.091 64.073 63.100 -0.197 0.000 0.837 397 P CB 0.380 32.038 31.700 -0.071 0.000 0.786 398 R N -0.076 120.048 120.500 -0.626 0.000 2.092 398 R HA -0.136 4.195 4.340 -0.015 0.000 0.231 398 R C 2.284 178.282 176.300 -0.505 0.000 1.119 398 R CA 1.669 57.405 56.100 -0.607 0.000 0.970 398 R CB -1.652 28.116 30.300 -0.887 0.000 0.864 398 R HN 0.250 nan 8.270 nan 0.000 0.440 399 H N -0.363 118.399 119.070 -0.515 0.000 2.387 399 H HA -0.033 4.514 4.556 -0.015 0.000 0.299 399 H C 1.800 176.958 175.328 -0.284 0.000 1.090 399 H CA 1.538 57.368 56.048 -0.363 0.000 1.332 399 H CB -0.104 29.408 29.762 -0.417 0.000 1.386 399 H HN 0.081 nan 8.280 nan 0.000 0.516 400 L N 0.553 121.656 121.223 -0.201 0.000 2.046 400 L HA -0.260 4.071 4.340 -0.015 0.000 0.208 400 L C 1.901 178.584 176.870 -0.311 0.000 1.077 400 L CA 1.651 56.306 54.840 -0.308 0.000 0.747 400 L CB -0.310 41.582 42.059 -0.277 0.000 0.896 400 L HN 0.457 nan 8.230 nan 0.000 0.432 401 Q N -0.358 119.364 119.800 -0.129 0.000 2.096 401 Q HA -0.239 4.092 4.340 -0.015 0.000 0.204 401 Q C 2.151 178.170 176.000 0.032 0.000 0.982 401 Q CA 1.632 57.447 55.803 0.020 0.000 0.850 401 Q CB -0.111 28.642 28.738 0.025 0.000 0.901 401 Q HN 0.557 nan 8.270 nan 0.000 0.422 402 I N 0.312 120.880 120.570 -0.002 0.000 2.315 402 I HA -0.256 3.905 4.170 -0.015 0.000 0.248 402 I C 2.118 178.312 176.117 0.128 0.000 1.117 402 I CA 0.947 62.328 61.300 0.135 0.000 1.404 402 I CB -0.100 37.930 38.000 0.049 0.000 1.071 402 I HN 0.184 nan 8.210 nan 0.000 0.419 403 I N -0.489 120.074 120.570 -0.012 0.000 2.226 403 I HA -0.317 3.844 4.170 -0.015 0.000 0.245 403 I C 2.387 178.511 176.117 0.012 0.000 1.100 403 I CA 1.444 62.721 61.300 -0.039 0.000 1.374 403 I CB -0.395 37.514 38.000 -0.151 0.000 1.057 403 I HN 0.150 nan 8.210 nan 0.000 0.413 404 Y N 0.871 121.178 120.300 0.011 0.000 2.181 404 Y HA -0.277 4.263 4.550 -0.015 0.000 0.288 404 Y C 2.604 178.474 175.900 -0.051 0.000 1.146 404 Y CA 1.514 59.607 58.100 -0.012 0.000 1.164 404 Y CB -0.788 37.658 38.460 -0.024 0.000 0.982 404 Y HN 0.181 nan 8.280 nan 0.000 0.515 405 E N 0.370 120.615 120.200 0.075 0.000 2.077 405 E HA -0.147 4.194 4.350 -0.015 0.000 0.193 405 E C 2.105 178.629 176.600 -0.127 0.000 0.989 405 E CA 1.269 57.577 56.400 -0.153 0.000 0.800 405 E CB -0.537 28.932 29.700 -0.384 0.000 0.746 405 E HN 0.475 nan 8.360 nan 0.000 0.452 406 I N 0.594 121.192 120.570 0.046 0.000 2.179 406 I HA -0.289 3.872 4.170 -0.015 0.000 0.242 406 I C 2.254 178.375 176.117 0.007 0.000 1.088 406 I CA 1.384 62.665 61.300 -0.033 0.000 1.357 406 I CB -0.382 37.605 38.000 -0.022 0.000 1.051 406 I HN 0.199 nan 8.210 nan 0.000 0.409 407 N N 0.729 119.479 118.700 0.084 0.000 2.120 407 N HA -0.273 4.457 4.740 -0.015 0.000 0.188 407 N C 1.863 177.460 175.510 0.144 0.000 1.024 407 N CA 1.578 54.726 53.050 0.163 0.000 0.852 407 N CB -0.152 38.449 38.487 0.190 0.000 1.003 407 N HN 0.331 nan 8.380 nan 0.000 0.424 408 Q N 0.042 119.873 119.800 0.052 0.000 2.061 408 Q HA -0.131 4.200 4.340 -0.015 0.000 0.204 408 Q C 2.016 178.002 176.000 -0.025 0.000 0.984 408 Q CA 1.457 57.255 55.803 -0.008 0.000 0.846 408 Q CB -0.020 28.674 28.738 -0.074 0.000 0.902 408 Q HN 0.359 nan 8.270 nan 0.000 0.421 409 R N -0.708 119.754 120.500 -0.062 0.000 2.092 409 R HA -0.119 4.212 4.340 -0.015 0.000 0.231 409 R C 2.137 178.462 176.300 0.041 0.000 1.119 409 R CA 1.320 57.381 56.100 -0.065 0.000 0.970 409 R CB -0.336 29.869 30.300 -0.157 0.000 0.864 409 R HN 0.288 nan 8.270 nan 0.000 0.440 410 F N 1.274 121.197 119.950 -0.044 0.000 2.113 410 F HA -0.083 4.435 4.527 -0.015 0.000 0.297 410 F C 1.777 177.599 175.800 0.036 0.000 1.103 410 F CA 1.320 59.341 58.000 0.035 0.000 1.248 410 F CB -0.127 38.924 39.000 0.086 0.000 0.999 410 F HN -0.117 nan 8.300 nan 0.000 0.475 411 L N -0.018 121.207 121.223 0.004 0.000 2.141 411 L HA -0.216 4.115 4.340 -0.015 0.000 0.209 411 L C 2.005 178.806 176.870 -0.115 0.000 1.094 411 L CA 1.448 56.230 54.840 -0.097 0.000 0.763 411 L CB -0.886 41.181 42.059 0.013 0.000 0.908 411 L HN 0.235 nan 8.230 nan 0.000 0.437 412 N N -0.082 118.572 118.700 -0.077 0.000 2.149 412 N HA -0.186 4.545 4.740 -0.015 0.000 0.188 412 N C 1.904 177.362 175.510 -0.086 0.000 1.019 412 N CA 0.918 53.926 53.050 -0.070 0.000 0.857 412 N CB -0.034 38.419 38.487 -0.056 0.000 0.997 412 N HN 0.304 nan 8.380 nan 0.000 0.426 413 R N 0.499 120.929 120.500 -0.118 0.000 2.092 413 R HA -0.028 4.303 4.340 -0.015 0.000 0.231 413 R C 2.173 178.383 176.300 -0.149 0.000 1.119 413 R CA 0.743 56.772 56.100 -0.119 0.000 0.970 413 R CB -0.203 30.033 30.300 -0.106 0.000 0.864 413 R HN 0.092 nan 8.270 nan 0.000 0.440 414 V N 0.938 120.711 119.914 -0.235 0.000 2.307 414 V HA -0.219 3.892 4.120 -0.015 0.000 0.245 414 V C 2.455 178.554 176.094 0.008 0.000 1.045 414 V CA 1.936 64.164 62.300 -0.121 0.000 1.024 414 V CB -0.733 30.933 31.823 -0.262 0.000 0.651 414 V HN 0.380 nan 8.190 nan 0.000 0.449 415 A N 0.247 123.040 122.820 -0.046 0.000 1.883 415 A HA -0.183 4.127 4.320 -0.015 0.000 0.217 415 A C 2.408 179.976 177.584 -0.027 0.000 1.186 415 A CA 2.330 54.355 52.037 -0.020 0.000 0.624 415 A CB -0.865 18.114 19.000 -0.036 0.000 0.822 415 A HN 0.595 nan 8.150 nan 0.000 0.444 416 A N -0.707 122.080 122.820 -0.055 0.000 1.969 416 A HA 0.238 4.548 4.320 -0.015 0.000 0.218 416 A C 2.361 179.873 177.584 -0.120 0.000 1.169 416 A CA 1.940 53.934 52.037 -0.071 0.000 0.635 416 A CB -0.666 18.294 19.000 -0.066 0.000 0.810 416 A HN 1.024 nan 8.150 nan 0.000 0.445 417 A N -1.793 120.928 122.820 -0.165 0.000 1.984 417 A HA 0.421 4.732 4.320 -0.015 0.000 0.214 417 A C 0.464 177.659 177.584 -0.648 0.000 1.173 417 A CA 0.423 52.215 52.037 -0.408 0.000 0.673 417 A CB -0.054 18.662 19.000 -0.474 0.000 0.830 417 A HN 0.405 nan 8.150 nan 0.000 0.453 418 F N 0.363 120.265 119.950 -0.080 0.000 2.531 418 F HA 0.347 4.865 4.527 -0.015 0.000 0.333 418 F C -2.764 172.999 175.800 -0.062 0.000 1.292 418 F CA -2.745 55.213 58.000 -0.071 0.000 1.184 418 F CB 0.870 39.819 39.000 -0.084 0.000 1.426 418 F HN -0.049 nan 8.300 nan 0.000 0.559 419 P HA 0.201 nan 4.420 nan 0.000 0.267 419 P C 0.991 178.309 177.300 0.031 0.000 1.205 419 P CA 0.821 63.932 63.100 0.018 0.000 0.765 419 P CB 0.972 32.664 31.700 -0.014 0.000 0.828 420 G N 2.405 111.217 108.800 0.019 0.000 2.184 420 G HA2 -0.246 3.705 3.960 -0.015 0.000 0.264 420 G HA3 -0.246 3.705 3.960 -0.015 0.000 0.264 420 G C 0.314 175.223 174.900 0.015 0.000 0.975 420 G CA 0.043 45.151 45.100 0.013 0.000 0.642 420 G HN 0.605 nan 8.290 nan 0.000 0.536 421 D N 1.326 121.743 120.400 0.029 0.000 2.551 421 D HA 0.372 5.003 4.640 -0.015 0.000 0.223 421 D C 2.110 178.400 176.300 -0.018 0.000 1.144 421 D CA 0.381 54.385 54.000 0.006 0.000 1.025 421 D CB 0.321 41.127 40.800 0.009 0.000 1.085 421 D HN 0.577 nan 8.370 nan 0.000 0.506 422 V N 0.553 120.459 119.914 -0.014 0.000 2.515 422 V HA -0.152 3.959 4.120 -0.015 0.000 0.250 422 V C 1.745 177.826 176.094 -0.022 0.000 1.058 422 V CA 1.574 63.865 62.300 -0.015 0.000 1.064 422 V CB -0.444 31.374 31.823 -0.008 0.000 0.675 422 V HN 0.202 nan 8.190 nan 0.000 0.461 423 D N 0.191 120.575 120.400 -0.027 0.000 2.224 423 D HA -0.122 4.509 4.640 -0.015 0.000 0.205 423 D C 2.313 178.583 176.300 -0.050 0.000 0.965 423 D CA 0.988 54.972 54.000 -0.027 0.000 0.852 423 D CB -0.164 40.623 40.800 -0.023 0.000 0.947 423 D HN 0.436 nan 8.370 nan 0.000 0.494 424 R N -0.088 120.358 120.500 -0.091 0.000 2.081 424 R HA -0.093 4.238 4.340 -0.015 0.000 0.235 424 R C 2.178 178.401 176.300 -0.127 0.000 1.131 424 R CA 0.914 56.919 56.100 -0.159 0.000 0.960 424 R CB -0.228 29.913 30.300 -0.264 0.000 0.856 424 R HN 0.253 nan 8.270 nan 0.000 0.436 425 L N 0.574 121.749 121.223 -0.081 0.000 2.012 425 L HA -0.222 4.109 4.340 -0.015 0.000 0.210 425 L C 2.695 179.565 176.870 -0.001 0.000 1.073 425 L CA 1.971 56.783 54.840 -0.047 0.000 0.748 425 L CB -0.516 41.527 42.059 -0.028 0.000 0.891 425 L HN 0.310 nan 8.230 nan 0.000 0.431 426 R N -0.002 120.505 120.500 0.010 0.000 2.115 426 R HA -0.081 4.250 4.340 -0.015 0.000 0.226 426 R C 2.195 178.543 176.300 0.081 0.000 1.100 426 R CA 0.860 56.990 56.100 0.049 0.000 0.980 426 R CB -0.480 29.845 30.300 0.041 0.000 0.875 426 R HN 0.177 nan 8.270 nan 0.000 0.445 427 R N 0.206 120.735 120.500 0.048 0.000 2.092 427 R HA 0.085 4.416 4.340 -0.015 0.000 0.231 427 R C 1.982 178.356 176.300 0.124 0.000 1.119 427 R CA 1.777 57.929 56.100 0.087 0.000 0.970 427 R CB -0.176 30.138 30.300 0.023 0.000 0.864 427 R HN 0.336 nan 8.270 nan 0.000 0.440 428 M N 0.024 119.616 119.600 -0.014 0.000 2.502 428 M HA 0.051 4.522 4.480 -0.015 0.000 0.243 428 M C 0.784 177.200 176.300 0.195 0.000 1.130 428 M CA -0.023 55.196 55.300 -0.136 0.000 1.055 428 M CB 0.534 32.897 32.600 -0.394 0.000 1.457 428 M HN -0.089 nan 8.290 nan 0.000 0.488 429 S N 1.074 116.919 115.700 0.243 0.000 2.558 429 S HA 0.090 4.551 4.470 -0.015 0.000 0.288 429 S C 1.188 176.038 174.600 0.417 0.000 1.318 429 S CA -0.288 58.090 58.200 0.296 0.000 1.056 429 S CB 0.598 63.919 63.200 0.203 0.000 0.853 429 S HN 0.362 nan 8.310 nan 0.000 0.505 430 L N 4.155 125.577 121.223 0.332 0.000 2.217 430 L HA 0.067 4.398 4.340 -0.015 0.000 0.211 430 L C 0.419 177.401 176.870 0.187 0.000 1.107 430 L CA 0.456 55.453 54.840 0.261 0.000 0.783 430 L CB -0.421 41.731 42.059 0.155 0.000 0.919 430 L HN 0.415 nan 8.230 nan 0.000 0.442 431 V N 0.919 120.952 119.914 0.199 0.000 2.385 431 V HA 0.127 4.238 4.120 -0.015 0.000 0.269 431 V C 0.121 176.305 176.094 0.151 0.000 1.043 431 V CA -0.495 61.910 62.300 0.176 0.000 0.906 431 V CB 1.199 33.161 31.823 0.232 0.000 0.995 431 V HN 0.181 nan 8.190 nan 0.000 0.467 432 E N 3.497 123.766 120.200 0.114 0.000 2.130 432 E HA 0.341 4.682 4.350 -0.015 0.000 0.284 432 E C -0.539 176.115 176.600 0.089 0.000 1.018 432 E CA -0.426 56.031 56.400 0.095 0.000 0.817 432 E CB 1.430 31.165 29.700 0.060 0.000 1.078 432 E HN 0.633 nan 8.360 nan 0.000 0.396 433 E N 1.071 121.322 120.200 0.084 0.000 2.345 433 E HA 0.613 4.954 4.350 -0.015 0.000 0.259 433 E C 0.213 176.851 176.600 0.063 0.000 1.117 433 E CA 0.322 56.765 56.400 0.073 0.000 0.913 433 E CB 1.435 31.172 29.700 0.061 0.000 1.057 433 E HN 0.629 nan 8.360 nan 0.000 0.432 434 G N -0.374 108.461 108.800 0.060 0.000 2.350 434 G HA2 0.277 4.228 3.960 -0.015 0.000 0.276 434 G HA3 0.277 4.228 3.960 -0.015 0.000 0.276 434 G C 0.365 175.299 174.900 0.056 0.000 1.313 434 G CA 0.065 45.197 45.100 0.053 0.000 0.903 434 G HN 0.575 nan 8.290 nan 0.000 0.490 435 A N -0.830 122.021 122.820 0.053 0.000 1.852 435 A HA 0.263 4.573 4.320 -0.015 0.000 0.217 435 A C 1.748 179.375 177.584 0.073 0.000 1.215 435 A CA 3.832 55.902 52.037 0.054 0.000 0.641 435 A CB -1.367 17.663 19.000 0.050 0.000 0.838 435 A HN 2.318 nan 8.150 nan 0.000 0.450 436 V N -2.829 117.139 119.914 0.089 0.000 2.483 436 V HA 0.522 4.633 4.120 -0.015 0.000 0.295 436 V C -0.355 175.808 176.094 0.114 0.000 1.035 436 V CA -1.371 61.005 62.300 0.126 0.000 0.896 436 V CB 1.359 33.282 31.823 0.167 0.000 0.986 436 V HN 0.340 nan 8.190 nan 0.000 0.447 437 K N 4.149 124.626 120.400 0.128 0.000 2.350 437 K HA 0.499 4.810 4.320 -0.015 0.000 0.279 437 K C -0.378 176.286 176.600 0.106 0.000 1.027 437 K CA -0.202 56.156 56.287 0.118 0.000 0.969 437 K CB 1.016 33.599 32.500 0.138 0.000 0.954 437 K HN 0.738 nan 8.250 nan 0.000 0.474 438 R N 1.568 122.120 120.500 0.087 0.000 2.837 438 R HA 0.471 4.802 4.340 -0.015 0.000 0.271 438 R C -0.577 175.757 176.300 0.057 0.000 0.993 438 R CA -0.994 55.145 56.100 0.065 0.000 0.931 438 R CB 1.350 31.671 30.300 0.036 0.000 1.206 438 R HN 0.380 nan 8.270 nan 0.000 0.474 439 I N 1.960 122.558 120.570 0.048 0.000 2.336 439 I HA 0.158 4.319 4.170 -0.015 0.000 0.292 439 I C -0.103 175.994 176.117 -0.034 0.000 0.991 439 I CA -0.662 60.653 61.300 0.026 0.000 1.227 439 I CB 1.088 39.101 38.000 0.022 0.000 1.366 439 I HN 0.497 nan 8.210 nan 0.000 0.466 440 N N 6.979 125.635 118.700 -0.073 0.000 2.415 440 N HA 0.107 4.838 4.740 -0.015 0.000 0.246 440 N C 0.740 176.146 175.510 -0.173 0.000 1.078 440 N CA -0.340 52.587 53.050 -0.205 0.000 0.942 440 N CB 1.041 39.281 38.487 -0.413 0.000 1.140 440 N HN 0.380 nan 8.380 nan 0.000 0.501 441 M N 2.479 121.970 119.600 -0.182 0.000 2.254 441 M HA -0.017 4.454 4.480 -0.015 0.000 0.265 441 M C 1.963 178.104 176.300 -0.266 0.000 1.066 441 M CA 0.624 55.832 55.300 -0.153 0.000 1.123 441 M CB -1.559 30.991 32.600 -0.084 0.000 1.388 441 M HN 0.607 nan 8.290 nan 0.000 0.425 442 A N -0.346 122.304 122.820 -0.283 0.000 1.902 442 A HA -0.183 4.128 4.320 -0.015 0.000 0.217 442 A C 2.009 179.327 177.584 -0.444 0.000 1.181 442 A CA 1.580 53.394 52.037 -0.373 0.000 0.623 442 A CB -1.156 17.821 19.000 -0.040 0.000 0.818 442 A HN 0.593 nan 8.150 nan 0.000 0.443 443 H N -1.066 117.769 119.070 -0.393 0.000 2.353 443 H HA -0.050 4.497 4.556 -0.015 0.000 0.300 443 H C 2.142 177.228 175.328 -0.403 0.000 1.090 443 H CA 0.970 56.749 56.048 -0.448 0.000 1.327 443 H CB -0.086 29.637 29.762 -0.066 0.000 1.383 443 H HN 0.362 nan 8.280 nan 0.000 0.508 444 L N 0.535 121.665 121.223 -0.155 0.000 2.012 444 L HA -0.243 4.088 4.340 -0.015 0.000 0.210 444 L C 2.247 178.974 176.870 -0.237 0.000 1.073 444 L CA 1.456 56.204 54.840 -0.154 0.000 0.748 444 L CB -0.480 41.518 42.059 -0.101 0.000 0.891 444 L HN 0.464 nan 8.230 nan 0.000 0.431 445 C N 0.001 119.058 119.300 -0.405 0.000 2.429 445 C HA -0.170 4.281 4.460 -0.015 0.000 0.277 445 C C 2.679 177.409 174.990 -0.433 0.000 1.262 445 C CA 0.594 59.302 59.018 -0.517 0.000 1.733 445 C CB -0.777 26.303 27.740 -1.100 0.000 2.010 445 C HN 0.519 nan 8.230 nan 0.000 0.483 446 I N 1.399 121.657 120.570 -0.520 0.000 2.252 446 I HA -0.178 3.983 4.170 -0.015 0.000 0.245 446 I C 2.753 178.717 176.117 -0.255 0.000 1.102 446 I CA 1.584 62.625 61.300 -0.432 0.000 1.385 446 I CB -0.550 37.044 38.000 -0.676 0.000 1.064 446 I HN 0.259 nan 8.210 nan 0.000 0.414 447 A N 0.601 123.243 122.820 -0.296 0.000 1.933 447 A HA -0.098 4.213 4.320 -0.015 0.000 0.218 447 A C 2.239 179.864 177.584 0.068 0.000 1.175 447 A CA 1.881 53.794 52.037 -0.206 0.000 0.628 447 A CB -1.174 17.498 19.000 -0.547 0.000 0.814 447 A HN 0.474 nan 8.150 nan 0.000 0.444 448 G N -1.183 107.597 108.800 -0.034 0.000 3.189 448 G HA2 0.398 4.349 3.960 -0.015 0.000 0.225 448 G HA3 0.398 4.349 3.960 -0.015 0.000 0.225 448 G C 0.133 174.872 174.900 -0.269 0.000 1.159 448 G CA 0.501 45.469 45.100 -0.220 0.000 0.763 448 G HN 0.355 nan 8.290 nan 0.000 0.549 449 S N -0.158 115.438 115.700 -0.173 0.000 2.513 449 S HA 0.294 4.755 4.470 -0.015 0.000 0.299 449 S C 0.826 175.375 174.600 -0.085 0.000 1.087 449 S CA -0.690 57.433 58.200 -0.128 0.000 1.012 449 S CB 1.260 64.385 63.200 -0.125 0.000 1.044 449 S HN 0.507 nan 8.310 nan 0.000 0.485 450 H N 0.207 119.243 119.070 -0.056 0.000 2.547 450 H HA 0.412 4.959 4.556 -0.015 0.000 0.272 450 H C 0.136 175.461 175.328 -0.005 0.000 0.989 450 H CA 0.460 56.506 56.048 -0.003 0.000 1.214 450 H CB 0.109 29.883 29.762 0.020 0.000 1.389 450 H HN 0.529 nan 8.280 nan 0.000 0.577 451 A N 0.837 123.376 122.820 -0.469 0.000 2.517 451 A HA 0.539 4.850 4.320 -0.015 0.000 0.297 451 A C -1.472 175.915 177.584 -0.328 0.000 1.050 451 A CA -0.576 51.230 52.037 -0.384 0.000 0.694 451 A CB 2.101 20.835 19.000 -0.444 0.000 1.277 451 A HN 0.097 nan 8.150 nan 0.000 0.400 452 V N 4.325 124.011 119.914 -0.381 0.000 2.483 452 V HA 0.526 4.637 4.120 -0.015 0.000 0.297 452 V C -0.719 175.181 176.094 -0.324 0.000 1.027 452 V CA -0.759 61.301 62.300 -0.399 0.000 0.855 452 V CB 1.752 33.175 31.823 -0.666 0.000 0.995 452 V HN 1.005 nan 8.190 nan 0.000 0.424 453 N N 3.280 121.808 118.700 -0.286 0.000 2.240 453 N HA 0.625 5.356 4.740 -0.015 0.000 0.302 453 N C -0.234 175.158 175.510 -0.195 0.000 1.106 453 N CA -0.374 52.550 53.050 -0.210 0.000 0.778 453 N CB 2.912 41.261 38.487 -0.231 0.000 1.431 453 N HN 0.617 nan 8.380 nan 0.000 0.479 454 G N -0.798 107.922 108.800 -0.132 0.000 2.531 454 G HA2 0.430 4.381 3.960 -0.015 0.000 0.313 454 G HA3 0.430 4.381 3.960 -0.015 0.000 0.313 454 G C 0.713 175.664 174.900 0.086 0.000 1.238 454 G CA -0.466 44.606 45.100 -0.046 0.000 0.994 454 G HN 0.641 nan 8.290 nan 0.000 0.493 455 V N -3.932 116.161 119.914 0.298 0.000 3.380 455 V HA 0.704 4.815 4.120 -0.015 0.000 0.307 455 V C 0.528 176.705 176.094 0.137 0.000 1.434 455 V CA 0.414 62.800 62.300 0.144 0.000 1.075 455 V CB -0.660 31.197 31.823 0.056 0.000 0.954 455 V HN 1.348 nan 8.190 nan 0.000 0.444 456 A N -0.022 122.892 122.820 0.156 0.000 2.605 456 A HA 0.646 4.956 4.320 -0.015 0.000 0.294 456 A C 0.697 178.332 177.584 0.086 0.000 1.062 456 A CA -0.107 51.997 52.037 0.113 0.000 0.682 456 A CB 1.235 20.293 19.000 0.096 0.000 1.278 456 A HN 0.016 nan 8.150 nan 0.000 0.410 457 R N 0.765 121.295 120.500 0.049 0.000 2.096 457 R HA -0.146 4.185 4.340 -0.015 0.000 0.240 457 R C 1.638 177.939 176.300 0.001 0.000 1.139 457 R CA 2.237 58.343 56.100 0.011 0.000 0.952 457 R CB -0.233 30.069 30.300 0.003 0.000 0.854 457 R HN 0.825 nan 8.270 nan 0.000 0.436 458 I N 0.298 120.878 120.570 0.018 0.000 2.226 458 I HA -0.307 3.854 4.170 -0.015 0.000 0.245 458 I C 2.393 178.526 176.117 0.026 0.000 1.100 458 I CA 1.882 63.187 61.300 0.008 0.000 1.374 458 I CB -0.250 37.754 38.000 0.006 0.000 1.057 458 I HN 0.349 nan 8.210 nan 0.000 0.413 459 H N 0.288 119.335 119.070 -0.039 0.000 2.321 459 H HA -0.131 4.416 4.556 -0.015 0.000 0.300 459 H C 2.285 177.586 175.328 -0.044 0.000 1.087 459 H CA 2.204 58.225 56.048 -0.045 0.000 1.319 459 H CB -0.292 29.448 29.762 -0.037 0.000 1.379 459 H HN 0.232 nan 8.280 nan 0.000 0.501 460 S N 0.309 115.894 115.700 -0.191 0.000 2.382 460 S HA -0.132 4.328 4.470 -0.015 0.000 0.228 460 S C 1.925 176.412 174.600 -0.189 0.000 1.027 460 S CA 1.253 59.318 58.200 -0.224 0.000 0.991 460 S CB -0.087 63.049 63.200 -0.107 0.000 0.823 460 S HN 0.491 nan 8.310 nan 0.000 0.469 461 E N 1.119 121.232 120.200 -0.146 0.000 2.072 461 E HA -0.028 4.313 4.350 -0.015 0.000 0.191 461 E C 2.038 178.533 176.600 -0.174 0.000 0.985 461 E CA 0.674 56.978 56.400 -0.160 0.000 0.801 461 E CB -0.408 29.227 29.700 -0.108 0.000 0.750 461 E HN 0.508 nan 8.360 nan 0.000 0.452 462 I N 1.070 121.555 120.570 -0.142 0.000 2.264 462 I HA -0.289 3.872 4.170 -0.015 0.000 0.248 462 I C 2.381 178.391 176.117 -0.178 0.000 1.111 462 I CA 0.876 62.097 61.300 -0.131 0.000 1.382 462 I CB -0.246 37.710 38.000 -0.074 0.000 1.060 462 I HN 0.066 nan 8.210 nan 0.000 0.418 463 L N 0.234 121.324 121.223 -0.223 0.000 2.083 463 L HA -0.206 4.125 4.340 -0.015 0.000 0.209 463 L C 2.431 179.215 176.870 -0.143 0.000 1.083 463 L CA 1.438 56.178 54.840 -0.167 0.000 0.752 463 L CB -0.546 41.489 42.059 -0.041 0.000 0.899 463 L HN 0.215 nan 8.230 nan 0.000 0.433 464 K N -0.005 120.221 120.400 -0.290 0.000 2.228 464 K HA -0.069 4.242 4.320 -0.015 0.000 0.202 464 K C 1.915 178.309 176.600 -0.344 0.000 1.051 464 K CA 0.804 56.756 56.287 -0.558 0.000 0.960 464 K CB 0.147 32.072 32.500 -0.959 0.000 0.743 464 K HN 0.289 nan 8.250 nan 0.000 0.458 465 K N -0.102 120.166 120.400 -0.221 0.000 2.308 465 K HA 0.005 4.316 4.320 -0.015 0.000 0.197 465 K C 1.804 178.354 176.600 -0.082 0.000 1.049 465 K CA 1.181 57.391 56.287 -0.127 0.000 0.991 465 K CB 0.647 33.082 32.500 -0.110 0.000 0.836 465 K HN 0.210 nan 8.250 nan 0.000 0.500 466 T N -1.056 113.439 114.554 -0.098 0.000 3.409 466 T HA 0.066 4.407 4.350 -0.015 0.000 0.188 466 T C 1.970 176.619 174.700 -0.086 0.000 0.929 466 T CA -0.031 62.021 62.100 -0.081 0.000 1.184 466 T CB -0.771 68.045 68.868 -0.087 0.000 1.570 466 T HN 0.105 nan 8.240 nan 0.000 0.367 467 I N -0.818 119.635 120.570 -0.195 0.000 2.361 467 I HA 0.195 4.356 4.170 -0.015 0.000 0.251 467 I C 1.330 177.336 176.117 -0.185 0.000 1.133 467 I CA 1.398 62.519 61.300 -0.299 0.000 1.413 467 I CB -0.610 37.050 38.000 -0.567 0.000 1.073 467 I HN 0.250 nan 8.210 nan 0.000 0.424 468 F N 0.776 120.813 119.950 0.145 0.000 2.791 468 F HA 0.355 4.872 4.527 -0.015 0.000 0.308 468 F C 1.930 177.833 175.800 0.172 0.000 1.138 468 F CA -0.646 57.519 58.000 0.274 0.000 1.294 468 F CB 0.147 39.339 39.000 0.320 0.000 0.975 468 F HN -0.107 nan 8.300 nan 0.000 0.512 469 K N 1.056 121.571 120.400 0.192 0.000 2.044 469 K HA -0.223 4.088 4.320 -0.015 0.000 0.210 469 K C 1.340 178.001 176.600 0.101 0.000 1.049 469 K CA 2.267 58.613 56.287 0.098 0.000 0.927 469 K CB -0.008 32.513 32.500 0.035 0.000 0.713 469 K HN 0.167 nan 8.250 nan 0.000 0.443 470 D N -0.182 120.256 120.400 0.064 0.000 2.123 470 D HA -0.164 4.467 4.640 -0.015 0.000 0.196 470 D C 1.809 178.027 176.300 -0.137 0.000 0.992 470 D CA 1.257 55.166 54.000 -0.151 0.000 0.833 470 D CB -0.294 40.322 40.800 -0.307 0.000 0.954 470 D HN 0.252 nan 8.370 nan 0.000 0.455 471 F N -0.232 119.801 119.950 0.139 0.000 2.206 471 F HA -0.127 4.390 4.527 -0.015 0.000 0.298 471 F C 2.337 178.283 175.800 0.244 0.000 1.090 471 F CA 0.461 58.622 58.000 0.268 0.000 1.323 471 F CB -0.633 38.605 39.000 0.396 0.000 1.028 471 F HN -0.045 nan 8.300 nan 0.000 0.492 472 Y N 1.359 121.623 120.300 -0.060 0.000 2.224 472 Y HA -0.210 4.331 4.550 -0.015 0.000 0.289 472 Y C 2.135 177.992 175.900 -0.071 0.000 1.146 472 Y CA 1.672 59.516 58.100 -0.426 0.000 1.182 472 Y CB -0.599 37.416 38.460 -0.742 0.000 0.983 472 Y HN 0.125 nan 8.280 nan 0.000 0.524 473 E N -0.424 119.706 120.200 -0.117 0.000 2.106 473 E HA -0.197 4.144 4.350 -0.015 0.000 0.192 473 E C 2.004 178.658 176.600 0.091 0.000 0.984 473 E CA 1.188 57.541 56.400 -0.078 0.000 0.806 473 E CB -0.287 29.412 29.700 -0.002 0.000 0.750 473 E HN 0.416 nan 8.360 nan 0.000 0.458 474 L N 1.000 122.315 121.223 0.154 0.000 2.044 474 L HA -0.081 4.250 4.340 -0.015 0.000 0.205 474 L C 0.209 177.166 176.870 0.145 0.000 1.075 474 L CA 1.753 56.728 54.840 0.224 0.000 0.747 474 L CB 0.285 42.468 42.059 0.207 0.000 0.903 474 L HN -0.076 nan 8.230 nan 0.000 0.435 475 E N -0.250 120.032 120.200 0.137 0.000 3.132 475 E HA 0.184 4.525 4.350 -0.015 0.000 0.241 475 E C -1.986 174.590 176.600 -0.039 0.000 1.196 475 E CA -1.285 55.119 56.400 0.008 0.000 0.869 475 E CB 0.794 30.478 29.700 -0.027 0.000 1.387 475 E HN 0.200 nan 8.360 nan 0.000 0.393 476 P HA -0.241 nan 4.420 nan 0.000 0.219 476 P C 1.142 178.563 177.300 0.201 0.000 1.146 476 P CA 1.357 64.376 63.100 -0.135 0.000 0.808 476 P CB -0.037 31.481 31.700 -0.303 0.000 0.779 477 H N 0.047 119.238 119.070 0.200 0.000 2.495 477 H HA 0.104 4.651 4.556 -0.015 0.000 0.287 477 H C 1.458 176.894 175.328 0.181 0.000 1.033 477 H CA 0.684 56.836 56.048 0.173 0.000 1.307 477 H CB -0.604 29.227 29.762 0.114 0.000 1.401 477 H HN 0.136 nan 8.280 nan 0.000 0.555 478 K N 0.369 120.694 120.400 -0.124 0.000 2.211 478 K HA 0.012 4.323 4.320 -0.015 0.000 0.203 478 K C -0.170 176.323 176.600 -0.177 0.000 1.050 478 K CA 0.447 56.642 56.287 -0.153 0.000 0.945 478 K CB 0.055 32.340 32.500 -0.359 0.000 0.732 478 K HN 0.127 nan 8.250 nan 0.000 0.451 479 F N 1.612 121.595 119.950 0.055 0.000 2.411 479 F HA 0.199 4.716 4.527 -0.015 0.000 0.355 479 F C 0.434 176.237 175.800 0.005 0.000 1.117 479 F CA -0.383 57.646 58.000 0.049 0.000 1.139 479 F CB 1.064 40.144 39.000 0.133 0.000 1.120 479 F HN -0.122 nan 8.300 nan 0.000 0.493 480 Q N 1.807 121.638 119.800 0.051 0.000 2.528 480 Q HA 0.344 4.675 4.340 -0.015 0.000 0.289 480 Q C -1.186 174.774 176.000 -0.068 0.000 1.091 480 Q CA -1.245 54.541 55.803 -0.027 0.000 0.797 480 Q CB 3.140 31.811 28.738 -0.112 0.000 1.466 480 Q HN 0.612 nan 8.270 nan 0.000 0.436 481 N N 0.734 119.380 118.700 -0.091 0.000 2.314 481 N HA 0.276 5.007 4.740 -0.015 0.000 0.304 481 N C -1.399 174.014 175.510 -0.162 0.000 1.073 481 N CA -0.378 52.613 53.050 -0.099 0.000 0.822 481 N CB 0.953 39.404 38.487 -0.060 0.000 1.280 481 N HN 0.284 nan 8.380 nan 0.000 0.489 482 K N 2.742 123.049 120.400 -0.155 0.000 2.723 482 K HA 0.172 4.483 4.320 -0.015 0.000 0.229 482 K C -0.957 175.652 176.600 0.015 0.000 1.022 482 K CA -0.490 55.688 56.287 -0.182 0.000 1.045 482 K CB 1.197 33.382 32.500 -0.526 0.000 1.227 482 K HN 0.543 nan 8.250 nan 0.000 0.516 483 T N 2.066 116.645 114.554 0.042 0.000 2.908 483 T HA 0.016 4.357 4.350 -0.015 0.000 0.301 483 T C 0.787 175.611 174.700 0.205 0.000 1.019 483 T CA 0.467 62.642 62.100 0.124 0.000 1.152 483 T CB 0.199 69.141 68.868 0.124 0.000 0.966 483 T HN 0.354 nan 8.240 nan 0.000 0.540 484 N N 0.656 119.499 118.700 0.238 0.000 2.297 484 N HA 0.401 5.132 4.740 -0.015 0.000 0.232 484 N C 0.507 176.200 175.510 0.305 0.000 1.311 484 N CA -0.170 53.053 53.050 0.289 0.000 0.897 484 N CB 0.395 38.995 38.487 0.188 0.000 1.137 484 N HN 0.760 nan 8.380 nan 0.000 0.449 485 G N -0.595 108.396 108.800 0.318 0.000 2.708 485 G HA2 0.624 4.575 3.960 -0.015 0.000 0.289 485 G HA3 0.624 4.575 3.960 -0.015 0.000 0.289 485 G C -1.381 173.649 174.900 0.217 0.000 1.416 485 G CA -0.736 44.533 45.100 0.281 0.000 0.829 485 G HN 0.602 nan 8.290 nan 0.000 0.480 486 I N -2.321 118.359 120.570 0.184 0.000 2.730 486 I HA 0.727 4.888 4.170 -0.015 0.000 0.298 486 I C -0.119 176.149 176.117 0.252 0.000 1.089 486 I CA -0.933 60.468 61.300 0.168 0.000 1.041 486 I CB 2.476 40.461 38.000 -0.025 0.000 1.235 486 I HN 0.464 nan 8.210 nan 0.000 0.423 487 T N 4.782 119.539 114.554 0.337 0.000 2.814 487 T HA 0.329 4.670 4.350 -0.015 0.000 0.297 487 T C -1.370 173.447 174.700 0.196 0.000 0.956 487 T CA -1.476 60.751 62.100 0.212 0.000 1.123 487 T CB 0.694 69.632 68.868 0.116 0.000 0.902 487 T HN 0.637 nan 8.240 nan 0.000 0.528 488 P HA 0.031 nan 4.420 nan 0.000 0.233 488 P C 1.113 178.384 177.300 -0.048 0.000 1.167 488 P CA 0.392 63.529 63.100 0.062 0.000 0.770 488 P CB 0.356 32.075 31.700 0.032 0.000 0.837 489 R N 0.473 120.896 120.500 -0.130 0.000 2.070 489 R HA -0.005 4.326 4.340 -0.015 0.000 0.227 489 R C 2.690 178.870 176.300 -0.201 0.000 1.147 489 R CA 1.574 57.554 56.100 -0.200 0.000 0.924 489 R CB -1.285 28.892 30.300 -0.205 0.000 0.827 489 R HN 0.024 nan 8.270 nan 0.000 0.431 490 R N -0.691 119.631 120.500 -0.296 0.000 2.091 490 R HA -0.153 4.178 4.340 -0.015 0.000 0.238 490 R C 1.161 177.114 176.300 -0.577 0.000 1.136 490 R CA 1.880 57.645 56.100 -0.557 0.000 0.959 490 R CB -0.212 29.547 30.300 -0.902 0.000 0.856 490 R HN 0.327 nan 8.270 nan 0.000 0.437 491 W N -0.578 120.675 121.300 -0.080 0.000 3.353 491 W HA 0.165 4.815 4.660 -0.016 0.000 0.304 491 W C 0.987 177.472 176.519 -0.058 0.000 1.273 491 W CA -0.737 56.561 57.345 -0.079 0.000 1.773 491 W CB 0.431 29.848 29.460 -0.071 0.000 1.095 491 W HN 0.221 nan 8.180 nan 0.000 0.676 492 L N -2.219 119.059 121.223 0.091 0.000 2.681 492 L HA 0.195 4.526 4.340 -0.015 0.000 0.163 492 L C 1.810 178.693 176.870 0.021 0.000 1.188 492 L CA 0.762 55.649 54.840 0.077 0.000 0.944 492 L CB -0.876 41.255 42.059 0.119 0.000 1.835 492 L HN -0.257 nan 8.230 nan 0.000 0.510 493 V N 1.098 121.003 119.914 -0.015 0.000 2.287 493 V HA -0.291 3.820 4.120 -0.015 0.000 0.248 493 V C 2.461 178.524 176.094 -0.052 0.000 1.053 493 V CA 2.548 64.828 62.300 -0.033 0.000 1.027 493 V CB -0.677 31.097 31.823 -0.083 0.000 0.646 493 V HN 0.512 nan 8.190 nan 0.000 0.447 494 L N 0.338 121.501 121.223 -0.100 0.000 2.044 494 L HA -0.174 4.157 4.340 -0.015 0.000 0.205 494 L C 2.447 179.249 176.870 -0.113 0.000 1.075 494 L CA 2.318 57.083 54.840 -0.126 0.000 0.747 494 L CB -0.222 41.713 42.059 -0.207 0.000 0.903 494 L HN 0.666 nan 8.230 nan 0.000 0.435 495 C N -1.957 117.273 119.300 -0.117 0.000 2.634 495 C HA 0.228 4.679 4.460 -0.015 0.000 0.268 495 C C 1.170 176.139 174.990 -0.034 0.000 1.322 495 C CA -0.331 58.634 59.018 -0.089 0.000 1.737 495 C CB -0.886 26.799 27.740 -0.091 0.000 1.976 495 C HN 0.574 nan 8.230 nan 0.000 0.547 496 N N 1.224 119.916 118.700 -0.014 0.000 2.733 496 N HA 0.295 5.026 4.740 -0.015 0.000 0.271 496 N C -1.785 173.733 175.510 0.014 0.000 1.720 496 N CA -1.608 51.446 53.050 0.006 0.000 0.803 496 N CB 0.798 39.298 38.487 0.021 0.000 1.208 496 N HN 0.246 nan 8.380 nan 0.000 0.498 497 P HA -0.054 nan 4.420 nan 0.000 0.217 497 P C 1.441 178.754 177.300 0.022 0.000 1.150 497 P CA 0.969 64.077 63.100 0.012 0.000 0.832 497 P CB 0.199 31.899 31.700 0.001 0.000 0.787 498 G N 0.696 109.504 108.800 0.013 0.000 2.476 498 G HA2 -0.273 3.678 3.960 -0.015 0.000 0.218 498 G HA3 -0.273 3.678 3.960 -0.015 0.000 0.218 498 G C 1.548 176.455 174.900 0.012 0.000 1.164 498 G CA 0.883 45.988 45.100 0.010 0.000 0.768 498 G HN 0.257 nan 8.290 nan 0.000 0.560 499 L N 1.239 122.471 121.223 0.015 0.000 2.056 499 L HA 0.253 4.584 4.340 -0.015 0.000 0.207 499 L C 3.100 180.001 176.870 0.052 0.000 1.078 499 L CA 2.053 56.902 54.840 0.016 0.000 0.749 499 L CB -0.775 41.294 42.059 0.016 0.000 0.901 499 L HN 0.238 nan 8.230 nan 0.000 0.433 500 A N -0.821 122.051 122.820 0.085 0.000 1.940 500 A HA -0.263 4.048 4.320 -0.015 0.000 0.219 500 A C 2.236 179.917 177.584 0.162 0.000 1.176 500 A CA 1.873 54.012 52.037 0.170 0.000 0.631 500 A CB -0.647 18.442 19.000 0.149 0.000 0.814 500 A HN 0.554 nan 8.150 nan 0.000 0.446 501 E N 0.614 120.869 120.200 0.092 0.000 2.028 501 E HA -0.145 4.195 4.350 -0.015 0.000 0.190 501 E C 1.852 178.493 176.600 0.067 0.000 0.984 501 E CA 1.521 57.965 56.400 0.074 0.000 0.800 501 E CB -0.518 29.208 29.700 0.042 0.000 0.758 501 E HN 0.733 nan 8.360 nan 0.000 0.448 502 I N -1.491 119.112 120.570 0.055 0.000 2.361 502 I HA -0.164 3.996 4.170 -0.015 0.000 0.251 502 I C 2.146 178.333 176.117 0.117 0.000 1.133 502 I CA 1.206 62.550 61.300 0.073 0.000 1.413 502 I CB -0.382 37.640 38.000 0.036 0.000 1.073 502 I HN 0.029 nan 8.210 nan 0.000 0.424 503 I N 1.955 122.573 120.570 0.080 0.000 2.202 503 I HA -0.210 3.951 4.170 -0.015 0.000 0.242 503 I C 3.015 179.094 176.117 -0.063 0.000 1.091 503 I CA 1.387 62.664 61.300 -0.038 0.000 1.368 503 I CB -0.561 37.298 38.000 -0.236 0.000 1.058 503 I HN 0.320 nan 8.210 nan 0.000 0.410 504 A N 0.428 123.302 122.820 0.090 0.000 1.972 504 A HA -0.214 4.096 4.320 -0.015 0.000 0.219 504 A C 2.162 179.779 177.584 0.056 0.000 1.169 504 A CA 1.516 53.648 52.037 0.159 0.000 0.635 504 A CB -0.584 18.540 19.000 0.206 0.000 0.810 504 A HN 0.439 nan 8.150 nan 0.000 0.446 505 E N -0.639 119.578 120.200 0.028 0.000 2.130 505 E HA -0.224 4.117 4.350 -0.015 0.000 0.196 505 E C 2.219 178.793 176.600 -0.044 0.000 0.998 505 E CA 1.255 57.658 56.400 0.004 0.000 0.806 505 E CB -0.075 29.635 29.700 0.016 0.000 0.738 505 E HN 0.429 nan 8.360 nan 0.000 0.459 506 R N 0.056 120.474 120.500 -0.137 0.000 2.090 506 R HA 0.068 4.399 4.340 -0.015 0.000 0.219 506 R C 2.331 178.534 176.300 -0.162 0.000 1.100 506 R CA 0.899 56.832 56.100 -0.278 0.000 0.991 506 R CB -0.283 29.531 30.300 -0.811 0.000 0.893 506 R HN 0.346 nan 8.270 nan 0.000 0.443 507 I N -3.197 117.296 120.570 -0.128 0.000 4.081 507 I HA 0.440 4.600 4.170 -0.015 0.000 0.333 507 I C 0.452 176.602 176.117 0.056 0.000 1.413 507 I CA 0.107 61.383 61.300 -0.039 0.000 1.110 507 I CB 0.811 38.763 38.000 -0.080 0.000 1.082 507 I HN 0.172 nan 8.210 nan 0.000 0.402 508 G N 1.963 110.808 108.800 0.075 0.000 2.725 508 G HA2 -0.236 3.715 3.960 -0.015 0.000 0.220 508 G HA3 -0.236 3.715 3.960 -0.015 0.000 0.220 508 G C 0.034 175.060 174.900 0.210 0.000 1.357 508 G CA 0.279 45.446 45.100 0.111 0.000 0.866 508 G HN 0.428 nan 8.290 nan 0.000 0.548 509 E N -0.522 119.750 120.200 0.121 0.000 2.460 509 E HA 0.059 4.400 4.350 -0.015 0.000 0.200 509 E C 1.954 178.498 176.600 -0.092 0.000 1.011 509 E CA 0.032 56.444 56.400 0.019 0.000 0.912 509 E CB 0.159 29.864 29.700 0.008 0.000 0.953 509 E HN 0.477 nan 8.360 nan 0.000 0.494 510 E N 0.445 120.663 120.200 0.029 0.000 2.338 510 E HA -0.169 4.172 4.350 -0.015 0.000 0.197 510 E C 1.678 178.275 176.600 -0.006 0.000 1.007 510 E CA 0.714 57.125 56.400 0.018 0.000 0.849 510 E CB 0.049 29.782 29.700 0.055 0.000 0.774 510 E HN 0.489 nan 8.360 nan 0.000 0.506 511 Y N -1.151 119.154 120.300 0.008 0.000 2.352 511 Y HA -0.039 4.503 4.550 -0.014 0.000 0.292 511 Y C 1.949 177.827 175.900 -0.036 0.000 1.136 511 Y CA 0.584 58.680 58.100 -0.008 0.000 1.227 511 Y CB -0.729 37.728 38.460 -0.006 0.000 0.991 511 Y HN -0.100 nan 8.280 nan 0.000 0.545 512 I N 1.057 121.159 120.570 -0.780 0.000 2.335 512 I HA -0.260 3.900 4.170 -0.015 0.000 0.251 512 I C 1.730 177.599 176.117 -0.413 0.000 1.129 512 I CA 1.882 62.776 61.300 -0.676 0.000 1.402 512 I CB -0.401 37.118 38.000 -0.803 0.000 1.069 512 I HN 0.459 nan 8.210 nan 0.000 0.424 513 S N -2.007 113.553 115.700 -0.233 0.000 2.593 513 S HA 0.170 4.630 4.470 -0.015 0.000 0.236 513 S C 0.183 174.770 174.600 -0.023 0.000 0.991 513 S CA -0.443 57.700 58.200 -0.096 0.000 0.963 513 S CB 0.301 63.522 63.200 0.035 0.000 0.865 513 S HN 0.295 nan 8.310 nan 0.000 0.488 514 D N 0.675 121.071 120.400 -0.006 0.000 2.823 514 D HA 0.252 4.883 4.640 -0.015 0.000 0.255 514 D C 0.244 176.589 176.300 0.075 0.000 1.257 514 D CA -0.374 53.646 54.000 0.033 0.000 0.803 514 D CB 0.421 41.244 40.800 0.039 0.000 1.384 514 D HN 0.075 nan 8.370 nan 0.000 0.541 515 L N 1.300 122.567 121.223 0.073 0.000 2.362 515 L HA 0.026 4.357 4.340 -0.015 0.000 0.219 515 L C 1.448 178.367 176.870 0.081 0.000 1.134 515 L CA 1.404 56.316 54.840 0.119 0.000 0.807 515 L CB -0.027 42.096 42.059 0.106 0.000 0.927 515 L HN 0.274 nan 8.230 nan 0.000 0.447 516 D N -0.604 119.822 120.400 0.043 0.000 2.182 516 D HA -0.230 4.401 4.640 -0.015 0.000 0.201 516 D C 1.921 178.238 176.300 0.028 0.000 0.986 516 D CA 0.954 54.965 54.000 0.018 0.000 0.847 516 D CB 0.039 40.837 40.800 -0.002 0.000 0.942 516 D HN 0.541 nan 8.370 nan 0.000 0.467 517 Q N 0.017 119.850 119.800 0.056 0.000 2.368 517 Q HA -0.102 4.229 4.340 -0.015 0.000 0.210 517 Q C 2.316 178.325 176.000 0.015 0.000 0.982 517 Q CA 0.363 56.199 55.803 0.054 0.000 0.884 517 Q CB -0.071 28.730 28.738 0.105 0.000 0.933 517 Q HN 0.402 nan 8.270 nan 0.000 0.460 518 L N 0.140 121.362 121.223 -0.001 0.000 2.261 518 L HA -0.196 4.135 4.340 -0.015 0.000 0.216 518 L C 2.329 179.183 176.870 -0.026 0.000 1.114 518 L CA 0.828 55.631 54.840 -0.062 0.000 0.777 518 L CB -0.405 41.627 42.059 -0.046 0.000 0.910 518 L HN 0.224 nan 8.230 nan 0.000 0.440 519 R N 0.536 121.035 120.500 -0.003 0.000 2.117 519 R HA -0.212 4.119 4.340 -0.015 0.000 0.243 519 R C 2.112 178.415 176.300 0.005 0.000 1.143 519 R CA 1.366 57.468 56.100 0.004 0.000 0.968 519 R CB -0.316 29.985 30.300 0.001 0.000 0.863 519 R HN 0.416 nan 8.270 nan 0.000 0.444 520 K N 0.609 121.012 120.400 0.004 0.000 2.360 520 K HA -0.121 4.190 4.320 -0.015 0.000 0.201 520 K C 1.896 178.539 176.600 0.072 0.000 1.046 520 K CA 0.869 57.172 56.287 0.026 0.000 0.940 520 K CB -0.124 32.394 32.500 0.030 0.000 0.748 520 K HN 0.239 nan 8.250 nan 0.000 0.465 521 L N 0.442 121.676 121.223 0.017 0.000 2.376 521 L HA -0.133 4.198 4.340 -0.015 0.000 0.219 521 L C 1.852 178.772 176.870 0.083 0.000 1.133 521 L CA 0.025 54.873 54.840 0.013 0.000 0.816 521 L CB -0.254 41.766 42.059 -0.065 0.000 0.933 521 L HN 0.126 nan 8.230 nan 0.000 0.449 522 L N 0.177 121.430 121.223 0.050 0.000 2.079 522 L HA -0.195 4.136 4.340 -0.015 0.000 0.210 522 L C 2.659 179.526 176.870 -0.005 0.000 1.081 522 L CA 1.986 56.845 54.840 0.031 0.000 0.752 522 L CB -1.009 41.056 42.059 0.010 0.000 0.896 522 L HN 0.364 nan 8.230 nan 0.000 0.433 523 S N -2.715 112.948 115.700 -0.061 0.000 2.720 523 S HA -0.065 4.396 4.470 -0.015 0.000 0.222 523 S C 1.107 175.461 174.600 -0.411 0.000 0.958 523 S CA 0.186 58.255 58.200 -0.218 0.000 0.943 523 S CB -0.580 62.452 63.200 -0.279 0.000 0.779 523 S HN 0.459 nan 8.310 nan 0.000 0.526 524 Y N -0.701 119.521 120.300 -0.131 0.000 2.557 524 Y HA 0.415 4.963 4.550 -0.004 0.000 0.247 524 Y C 1.876 177.791 175.900 0.025 0.000 1.164 524 Y CA -0.525 57.482 58.100 -0.155 0.000 1.218 524 Y CB 0.336 38.472 38.460 -0.541 0.000 1.210 524 Y HN 0.281 nan 8.280 nan 0.000 0.529 525 V N 0.357 120.352 119.914 0.135 0.000 2.626 525 V HA -0.182 3.929 4.120 -0.015 0.000 0.252 525 V C 0.902 177.064 176.094 0.113 0.000 1.067 525 V CA 2.123 64.510 62.300 0.146 0.000 1.081 525 V CB 0.000 31.874 31.823 0.085 0.000 0.686 525 V HN 0.324 nan 8.190 nan 0.000 0.468 526 D N -0.378 120.065 120.400 0.071 0.000 2.402 526 D HA 0.119 4.750 4.640 -0.015 0.000 0.216 526 D C 0.212 176.553 176.300 0.068 0.000 1.128 526 D CA 0.007 54.039 54.000 0.054 0.000 0.833 526 D CB 0.160 40.970 40.800 0.016 0.000 0.971 526 D HN 0.438 nan 8.370 nan 0.000 0.503 527 D N 1.386 121.861 120.400 0.124 0.000 2.339 527 D HA 0.004 4.635 4.640 -0.015 0.000 0.241 527 D C 1.060 177.465 176.300 0.176 0.000 1.183 527 D CA -0.107 53.986 54.000 0.155 0.000 0.859 527 D CB 1.709 42.659 40.800 0.251 0.000 1.067 527 D HN -0.184 nan 8.370 nan 0.000 0.484 528 E N 3.001 123.269 120.200 0.114 0.000 2.150 528 E HA -0.116 4.225 4.350 -0.015 0.000 0.193 528 E C 1.729 178.385 176.600 0.094 0.000 0.985 528 E CA 1.216 57.669 56.400 0.088 0.000 0.814 528 E CB 0.090 29.823 29.700 0.055 0.000 0.752 528 E HN 0.589 nan 8.360 nan 0.000 0.466 529 A N -0.059 122.834 122.820 0.121 0.000 1.845 529 A HA -0.160 4.151 4.320 -0.015 0.000 0.215 529 A C 2.189 179.861 177.584 0.146 0.000 1.195 529 A CA 1.385 53.491 52.037 0.116 0.000 0.616 529 A CB -1.090 17.985 19.000 0.125 0.000 0.832 529 A HN 0.446 nan 8.150 nan 0.000 0.443 530 F N 0.455 120.432 119.950 0.045 0.000 2.126 530 F HA -0.215 4.303 4.527 -0.014 0.000 0.299 530 F C 2.078 177.892 175.800 0.023 0.000 1.096 530 F CA 1.812 59.827 58.000 0.025 0.000 1.255 530 F CB -0.153 38.880 39.000 0.055 0.000 0.997 530 F HN 0.188 nan 8.300 nan 0.000 0.479 531 I N 0.151 120.761 120.570 0.067 0.000 2.151 531 I HA -0.380 3.781 4.170 -0.015 0.000 0.243 531 I C 2.619 178.685 176.117 -0.085 0.000 1.080 531 I CA 1.871 63.154 61.300 -0.027 0.000 1.339 531 I CB -0.533 37.495 38.000 0.047 0.000 1.039 531 I HN 0.113 nan 8.210 nan 0.000 0.409 532 R N 0.882 121.357 120.500 -0.042 0.000 2.081 532 R HA -0.202 4.129 4.340 -0.015 0.000 0.235 532 R C 1.854 178.104 176.300 -0.085 0.000 1.131 532 R CA 2.036 58.108 56.100 -0.046 0.000 0.960 532 R CB -0.186 30.106 30.300 -0.014 0.000 0.856 532 R HN 0.301 nan 8.270 nan 0.000 0.436 533 D N -0.128 120.200 120.400 -0.121 0.000 2.097 533 D HA -0.118 4.513 4.640 -0.015 0.000 0.197 533 D C 1.996 178.162 176.300 -0.222 0.000 0.984 533 D CA 1.291 55.201 54.000 -0.150 0.000 0.826 533 D CB -0.239 40.481 40.800 -0.133 0.000 0.973 533 D HN 0.095 nan 8.370 nan 0.000 0.460 534 V N 1.607 121.293 119.914 -0.380 0.000 2.255 534 V HA -0.272 3.839 4.120 -0.015 0.000 0.247 534 V C 2.547 178.550 176.094 -0.151 0.000 1.051 534 V CA 2.028 64.129 62.300 -0.333 0.000 1.018 534 V CB -0.878 30.679 31.823 -0.443 0.000 0.641 534 V HN 0.199 nan 8.190 nan 0.000 0.445 535 A N -0.638 122.114 122.820 -0.114 0.000 1.972 535 A HA -0.253 4.058 4.320 -0.015 0.000 0.219 535 A C 2.350 179.898 177.584 -0.059 0.000 1.169 535 A CA 2.114 54.117 52.037 -0.057 0.000 0.635 535 A CB -0.459 18.512 19.000 -0.049 0.000 0.810 535 A HN 0.551 nan 8.150 nan 0.000 0.446 536 K N -0.307 120.052 120.400 -0.069 0.000 2.025 536 K HA -0.062 4.248 4.320 -0.015 0.000 0.207 536 K C 1.824 178.396 176.600 -0.045 0.000 1.049 536 K CA 1.456 57.711 56.287 -0.053 0.000 0.933 536 K CB -0.257 32.213 32.500 -0.050 0.000 0.714 536 K HN 0.202 nan 8.250 nan 0.000 0.438 537 V N 1.862 121.743 119.914 -0.055 0.000 2.332 537 V HA -0.260 3.851 4.120 -0.015 0.000 0.248 537 V C 2.386 178.466 176.094 -0.023 0.000 1.055 537 V CA 2.031 64.308 62.300 -0.038 0.000 1.038 537 V CB -0.458 31.336 31.823 -0.049 0.000 0.651 537 V HN 0.363 nan 8.190 nan 0.000 0.450 538 K N 0.384 120.769 120.400 -0.025 0.000 2.026 538 K HA -0.232 4.079 4.320 -0.015 0.000 0.208 538 K C 2.164 178.742 176.600 -0.037 0.000 1.048 538 K CA 1.851 58.131 56.287 -0.012 0.000 0.929 538 K CB -0.521 31.988 32.500 0.015 0.000 0.713 538 K HN 0.373 nan 8.250 nan 0.000 0.439 539 Q N 0.914 120.684 119.800 -0.049 0.000 2.124 539 Q HA -0.091 4.239 4.340 -0.015 0.000 0.202 539 Q C 1.657 177.636 176.000 -0.034 0.000 0.977 539 Q CA 1.866 57.630 55.803 -0.065 0.000 0.850 539 Q CB -0.048 28.653 28.738 -0.061 0.000 0.901 539 Q HN 0.508 nan 8.270 nan 0.000 0.429 540 E N -0.623 119.568 120.200 -0.014 0.000 2.106 540 E HA -0.138 4.203 4.350 -0.015 0.000 0.192 540 E C 1.623 178.244 176.600 0.036 0.000 0.984 540 E CA 0.874 57.281 56.400 0.010 0.000 0.806 540 E CB 0.009 29.713 29.700 0.006 0.000 0.750 540 E HN 0.401 nan 8.360 nan 0.000 0.458 541 N N 0.889 119.607 118.700 0.031 0.000 2.188 541 N HA -0.121 4.610 4.740 -0.015 0.000 0.184 541 N C 1.454 177.039 175.510 0.124 0.000 1.018 541 N CA 1.019 54.107 53.050 0.064 0.000 0.858 541 N CB -0.036 38.474 38.487 0.038 0.000 0.989 541 N HN 0.126 nan 8.380 nan 0.000 0.426 542 K N 0.521 120.954 120.400 0.055 0.000 2.057 542 K HA 0.045 4.356 4.320 -0.015 0.000 0.206 542 K C 2.104 178.812 176.600 0.179 0.000 1.050 542 K CA 0.590 56.909 56.287 0.054 0.000 0.935 542 K CB -0.145 32.130 32.500 -0.376 0.000 0.715 542 K HN 0.073 nan 8.250 nan 0.000 0.439 543 L N 1.356 122.636 121.223 0.095 0.000 2.017 543 L HA -0.204 4.127 4.340 -0.015 0.000 0.208 543 L C 2.622 179.585 176.870 0.154 0.000 1.073 543 L CA 1.383 56.290 54.840 0.111 0.000 0.745 543 L CB -0.342 41.754 42.059 0.062 0.000 0.894 543 L HN 0.144 nan 8.230 nan 0.000 0.432 544 K N -0.432 120.063 120.400 0.158 0.000 2.057 544 K HA -0.231 4.080 4.320 -0.015 0.000 0.207 544 K C 2.201 178.952 176.600 0.253 0.000 1.049 544 K CA 1.625 58.015 56.287 0.171 0.000 0.931 544 K CB -0.123 32.462 32.500 0.141 0.000 0.714 544 K HN 0.117 nan 8.250 nan 0.000 0.440 545 F N 1.072 121.124 119.950 0.170 0.000 2.206 545 F HA -0.000 4.518 4.527 -0.015 0.000 0.298 545 F C 2.006 177.968 175.800 0.270 0.000 1.090 545 F CA 1.048 59.179 58.000 0.218 0.000 1.323 545 F CB -0.369 38.764 39.000 0.222 0.000 1.028 545 F HN 0.041 nan 8.300 nan 0.000 0.492 546 A N 0.392 123.372 122.820 0.266 0.000 1.940 546 A HA -0.116 4.195 4.320 -0.015 0.000 0.219 546 A C 2.408 180.025 177.584 0.055 0.000 1.176 546 A CA 1.879 54.008 52.037 0.153 0.000 0.631 546 A CB -1.500 17.655 19.000 0.259 0.000 0.814 546 A HN 0.466 nan 8.150 nan 0.000 0.446 547 A N -1.568 121.306 122.820 0.090 0.000 1.898 547 A HA -0.084 4.227 4.320 -0.015 0.000 0.216 547 A C 2.128 179.734 177.584 0.037 0.000 1.181 547 A CA 1.531 53.609 52.037 0.068 0.000 0.620 547 A CB -0.851 18.203 19.000 0.090 0.000 0.819 547 A HN 0.747 nan 8.150 nan 0.000 0.442 548 Y N 0.510 120.760 120.300 -0.084 0.000 2.165 548 Y HA -0.209 4.332 4.550 -0.015 0.000 0.286 548 Y C 1.954 177.770 175.900 -0.140 0.000 1.155 548 Y CA 1.933 59.965 58.100 -0.112 0.000 1.164 548 Y CB -0.218 38.168 38.460 -0.122 0.000 0.978 548 Y HN 0.222 nan 8.280 nan 0.000 0.513 549 L N -0.061 121.027 121.223 -0.226 0.000 2.083 549 L HA -0.203 4.128 4.340 -0.015 0.000 0.209 549 L C 2.432 179.213 176.870 -0.147 0.000 1.083 549 L CA 1.604 56.317 54.840 -0.212 0.000 0.752 549 L CB -0.479 41.428 42.059 -0.254 0.000 0.899 549 L HN 0.344 nan 8.230 nan 0.000 0.433 550 E N -0.204 119.926 120.200 -0.117 0.000 2.028 550 E HA -0.191 4.150 4.350 -0.015 0.000 0.191 550 E C 2.336 178.866 176.600 -0.117 0.000 0.988 550 E CA 0.927 57.274 56.400 -0.088 0.000 0.799 550 E CB 0.021 29.728 29.700 0.011 0.000 0.755 550 E HN 0.419 nan 8.360 nan 0.000 0.447 551 R N 0.711 121.128 120.500 -0.138 0.000 2.070 551 R HA -0.143 4.187 4.340 -0.015 0.000 0.233 551 R C 2.069 178.209 176.300 -0.266 0.000 1.137 551 R CA 1.368 57.374 56.100 -0.157 0.000 0.945 551 R CB -0.080 30.148 30.300 -0.120 0.000 0.845 551 R HN -0.004 nan 8.270 nan 0.000 0.430 552 E N -1.522 118.398 120.200 -0.467 0.000 2.442 552 E HA -0.018 4.323 4.350 -0.015 0.000 0.195 552 E C 0.015 176.080 176.600 -0.892 0.000 1.030 552 E CA 0.668 56.638 56.400 -0.716 0.000 0.869 552 E CB 0.514 29.584 29.700 -1.050 0.000 0.857 552 E HN 0.358 nan 8.360 nan 0.000 0.505 553 Y N -0.677 119.465 120.300 -0.263 0.000 2.791 553 Y HA 0.198 4.738 4.550 -0.015 0.000 0.263 553 Y C -0.134 175.663 175.900 -0.171 0.000 1.089 553 Y CA -0.667 57.323 58.100 -0.184 0.000 1.253 553 Y CB 0.775 39.130 38.460 -0.175 0.000 1.360 553 Y HN -0.237 nan 8.280 nan 0.000 0.569 554 K N 0.097 120.444 120.400 -0.087 0.000 3.012 554 K HA -0.158 4.153 4.320 -0.015 0.000 0.259 554 K C -0.294 176.115 176.600 -0.319 0.000 0.989 554 K CA 0.905 57.099 56.287 -0.156 0.000 0.728 554 K CB -2.568 29.878 32.500 -0.090 0.000 1.260 554 K HN 0.285 nan 8.250 nan 0.000 0.480 555 V N -2.360 117.378 119.914 -0.293 0.000 2.581 555 V HA 0.552 4.662 4.120 -0.015 0.000 0.303 555 V C 0.202 176.080 176.094 -0.359 0.000 1.041 555 V CA -0.976 61.117 62.300 -0.345 0.000 0.907 555 V CB 1.597 33.325 31.823 -0.158 0.000 0.994 555 V HN 0.290 nan 8.190 nan 0.000 0.442 556 H N 4.902 123.960 119.070 -0.020 0.000 2.476 556 H HA 0.788 5.334 4.556 -0.015 0.000 0.328 556 H C -0.063 175.255 175.328 -0.015 0.000 1.073 556 H CA -0.415 55.626 56.048 -0.013 0.000 1.229 556 H CB 1.647 31.405 29.762 -0.006 0.000 1.432 556 H HN 0.928 nan 8.280 nan 0.000 0.477 557 I N -0.414 120.228 120.570 0.121 0.000 2.730 557 I HA 0.451 4.612 4.170 -0.015 0.000 0.298 557 I C -0.540 175.661 176.117 0.140 0.000 1.089 557 I CA -1.347 60.009 61.300 0.094 0.000 1.041 557 I CB 2.196 40.223 38.000 0.045 0.000 1.235 557 I HN 0.361 nan 8.210 nan 0.000 0.423 558 N N 5.445 124.228 118.700 0.138 0.000 2.401 558 N HA 0.360 5.091 4.740 -0.015 0.000 0.255 558 N C -1.987 173.658 175.510 0.225 0.000 1.110 558 N CA -2.309 50.825 53.050 0.140 0.000 0.949 558 N CB 0.921 39.463 38.487 0.092 0.000 1.110 558 N HN 0.405 nan 8.380 nan 0.000 0.490 559 P HA 0.091 nan 4.420 nan 0.000 0.245 559 P C -0.108 177.168 177.300 -0.041 0.000 1.212 559 P CA 0.767 63.934 63.100 0.111 0.000 0.774 559 P CB 0.250 31.999 31.700 0.081 0.000 0.999 560 N N -0.999 117.716 118.700 0.025 0.000 2.392 560 N HA -0.018 4.713 4.740 -0.015 0.000 0.177 560 N C 0.560 176.099 175.510 0.049 0.000 1.066 560 N CA 0.015 53.073 53.050 0.014 0.000 0.895 560 N CB -0.040 38.465 38.487 0.031 0.000 0.988 560 N HN 0.116 nan 8.380 nan 0.000 0.457 561 S N 0.374 116.115 115.700 0.067 0.000 2.600 561 S HA 0.117 4.578 4.470 -0.015 0.000 0.265 561 S C 0.117 174.687 174.600 -0.049 0.000 1.325 561 S CA -0.850 57.374 58.200 0.041 0.000 1.002 561 S CB 0.827 64.078 63.200 0.086 0.000 0.921 561 S HN 0.215 nan 8.310 nan 0.000 0.554 562 L N 2.011 123.043 121.223 -0.319 0.000 2.410 562 L HA 0.366 4.697 4.340 -0.015 0.000 0.273 562 L C -0.809 176.051 176.870 -0.018 0.000 1.144 562 L CA -0.528 53.952 54.840 -0.600 0.000 0.863 562 L CB -0.161 41.247 42.059 -1.085 0.000 1.140 562 L HN 0.716 nan 8.230 nan 0.000 0.463 563 F N 4.297 124.122 119.950 -0.208 0.000 2.423 563 F HA 0.099 4.618 4.527 -0.014 0.000 0.356 563 F C 0.419 176.163 175.800 -0.094 0.000 1.170 563 F CA -0.784 57.162 58.000 -0.089 0.000 1.163 563 F CB 0.496 39.492 39.000 -0.007 0.000 1.318 563 F HN 0.525 nan 8.300 nan 0.000 0.569 564 D N 4.874 125.276 120.400 0.004 0.000 2.428 564 D HA 0.212 4.842 4.640 -0.015 0.000 0.221 564 D C -1.064 175.180 176.300 -0.093 0.000 1.123 564 D CA -0.037 53.924 54.000 -0.064 0.000 0.869 564 D CB 1.394 42.141 40.800 -0.088 0.000 1.032 564 D HN 0.260 nan 8.370 nan 0.000 0.506 565 V N 3.460 123.306 119.914 -0.113 0.000 2.540 565 V HA 0.542 4.653 4.120 -0.015 0.000 0.302 565 V C -1.366 174.585 176.094 -0.238 0.000 1.035 565 V CA -0.645 61.571 62.300 -0.141 0.000 0.873 565 V CB 1.808 33.604 31.823 -0.045 0.000 0.992 565 V HN 0.539 nan 8.190 nan 0.000 0.428 566 Q N 5.023 124.694 119.800 -0.214 0.000 2.394 566 Q HA 0.668 4.999 4.340 -0.015 0.000 0.261 566 Q C -1.489 174.347 176.000 -0.273 0.000 1.023 566 Q CA -0.640 55.021 55.803 -0.238 0.000 0.720 566 Q CB 1.867 30.492 28.738 -0.188 0.000 1.241 566 Q HN 1.105 nan 8.270 nan 0.000 0.483 567 V N 1.580 121.319 119.914 -0.292 0.000 2.531 567 V HA 0.884 4.994 4.120 -0.015 0.000 0.301 567 V C -0.984 174.847 176.094 -0.439 0.000 1.034 567 V CA -0.515 61.437 62.300 -0.581 0.000 0.865 567 V CB 1.204 32.446 31.823 -0.968 0.000 0.995 567 V HN 0.866 nan 8.190 nan 0.000 0.424 568 K N 2.529 122.708 120.400 -0.368 0.000 3.040 568 K HA 0.425 4.735 4.320 -0.015 0.000 0.300 568 K C -1.246 175.355 176.600 0.002 0.000 1.092 568 K CA -1.222 55.031 56.287 -0.057 0.000 0.831 568 K CB 0.753 33.206 32.500 -0.079 0.000 1.469 568 K HN 0.452 nan 8.250 nan 0.000 0.365 569 R N 0.870 121.416 120.500 0.076 0.000 2.698 569 R HA 0.163 4.494 4.340 -0.015 0.000 0.266 569 R C 0.291 176.610 176.300 0.032 0.000 1.026 569 R CA -0.336 55.823 56.100 0.097 0.000 1.102 569 R CB -0.153 30.232 30.300 0.141 0.000 0.978 569 R HN 0.479 nan 8.270 nan 0.000 0.436 570 I N 4.346 124.946 120.570 0.049 0.000 2.421 570 I HA 0.082 4.243 4.170 -0.015 0.000 0.291 570 I C 0.737 176.827 176.117 -0.045 0.000 1.089 570 I CA 0.521 61.802 61.300 -0.031 0.000 1.354 570 I CB -0.535 37.438 38.000 -0.046 0.000 1.413 570 I HN 0.318 nan 8.210 nan 0.000 0.513 571 H N 5.251 124.213 119.070 -0.179 0.000 2.996 571 H HA 0.246 4.793 4.556 -0.015 0.000 0.368 571 H C 0.498 175.696 175.328 -0.217 0.000 1.185 571 H CA -0.395 55.585 56.048 -0.114 0.000 1.160 571 H CB 1.977 31.694 29.762 -0.075 0.000 1.820 571 H HN 0.565 nan 8.280 nan 0.000 0.547 572 E N 1.941 122.180 120.200 0.066 0.000 2.085 572 E HA -0.256 4.085 4.350 -0.015 0.000 0.194 572 E C 1.399 177.821 176.600 -0.296 0.000 0.994 572 E CA 1.942 58.358 56.400 0.027 0.000 0.801 572 E CB -0.096 29.767 29.700 0.272 0.000 0.743 572 E HN 0.596 nan 8.360 nan 0.000 0.453 573 Y N 0.854 120.771 120.300 -0.640 0.000 2.352 573 Y HA -0.054 4.487 4.550 -0.015 0.000 0.292 573 Y C 1.530 177.170 175.900 -0.434 0.000 1.136 573 Y CA 0.924 58.364 58.100 -1.099 0.000 1.227 573 Y CB -0.154 37.655 38.460 -1.085 0.000 0.991 573 Y HN -0.204 nan 8.280 nan 0.000 0.545 574 K N 0.765 120.715 120.400 -0.750 0.000 2.432 574 K HA 0.054 4.365 4.320 -0.015 0.000 0.196 574 K C 0.158 176.591 176.600 -0.280 0.000 1.038 574 K CA 0.553 56.513 56.287 -0.546 0.000 0.986 574 K CB -0.067 32.094 32.500 -0.565 0.000 0.782 574 K HN 0.258 nan 8.250 nan 0.000 0.485 575 R N 0.340 120.708 120.500 -0.221 0.000 3.333 575 R HA -0.249 4.082 4.340 -0.015 0.000 0.256 575 R C 0.274 176.498 176.300 -0.126 0.000 1.010 575 R CA 0.262 56.282 56.100 -0.132 0.000 0.680 575 R CB -1.964 28.276 30.300 -0.100 0.000 1.102 575 R HN 0.306 nan 8.270 nan 0.000 0.440 576 Q N 0.393 120.116 119.800 -0.129 0.000 2.248 576 Q HA -0.089 4.241 4.340 -0.015 0.000 0.208 576 Q C 2.037 177.992 176.000 -0.074 0.000 0.984 576 Q CA 1.558 57.300 55.803 -0.102 0.000 0.875 576 Q CB -0.016 28.664 28.738 -0.098 0.000 0.910 576 Q HN 0.595 nan 8.270 nan 0.000 0.433 577 L N -0.681 120.503 121.223 -0.066 0.000 2.141 577 L HA -0.158 4.172 4.340 -0.015 0.000 0.209 577 L C 1.980 178.858 176.870 0.014 0.000 1.094 577 L CA 0.437 55.254 54.840 -0.038 0.000 0.763 577 L CB -0.286 41.762 42.059 -0.019 0.000 0.908 577 L HN 0.310 nan 8.230 nan 0.000 0.437 578 L N -0.013 121.212 121.223 0.003 0.000 2.056 578 L HA -0.219 4.112 4.340 -0.015 0.000 0.207 578 L C 1.997 178.932 176.870 0.108 0.000 1.078 578 L CA 1.856 56.713 54.840 0.029 0.000 0.749 578 L CB -0.807 41.172 42.059 -0.133 0.000 0.901 578 L HN 0.266 nan 8.230 nan 0.000 0.433 579 N N -1.654 117.072 118.700 0.043 0.000 2.104 579 N HA -0.243 4.488 4.740 -0.015 0.000 0.190 579 N C 1.939 177.533 175.510 0.140 0.000 1.024 579 N CA 1.683 54.828 53.050 0.159 0.000 0.853 579 N CB -0.142 38.368 38.487 0.039 0.000 1.008 579 N HN 0.493 nan 8.380 nan 0.000 0.424 580 C N 0.458 119.778 119.300 0.034 0.000 2.413 580 C HA -0.069 4.381 4.460 -0.015 0.000 0.276 580 C C 2.565 177.549 174.990 -0.010 0.000 1.248 580 C CA 0.375 59.367 59.018 -0.044 0.000 1.742 580 C CB -1.234 26.428 27.740 -0.128 0.000 2.017 580 C HN 0.506 nan 8.230 nan 0.000 0.481 581 L N -0.365 120.914 121.223 0.092 0.000 2.046 581 L HA -0.187 4.144 4.340 -0.015 0.000 0.208 581 L C 2.782 179.800 176.870 0.246 0.000 1.077 581 L CA 1.760 56.699 54.840 0.164 0.000 0.747 581 L CB -1.045 41.176 42.059 0.271 0.000 0.896 581 L HN 0.581 nan 8.230 nan 0.000 0.432 582 H N 0.045 119.220 119.070 0.176 0.000 2.321 582 H HA -0.146 4.401 4.556 -0.015 0.000 0.300 582 H C 2.242 177.558 175.328 -0.019 0.000 1.087 582 H CA 2.037 58.100 56.048 0.025 0.000 1.319 582 H CB 0.248 29.943 29.762 -0.112 0.000 1.379 582 H HN 0.087 nan 8.280 nan 0.000 0.501 583 V N 1.594 121.428 119.914 -0.133 0.000 2.282 583 V HA -0.288 3.823 4.120 -0.015 0.000 0.249 583 V C 2.889 178.915 176.094 -0.113 0.000 1.057 583 V CA 2.031 64.223 62.300 -0.180 0.000 1.032 583 V CB -0.557 31.209 31.823 -0.094 0.000 0.645 583 V HN 0.389 nan 8.190 nan 0.000 0.447 584 I N -0.277 120.258 120.570 -0.058 0.000 2.286 584 I HA -0.221 3.939 4.170 -0.015 0.000 0.248 584 I C 2.493 178.661 176.117 0.085 0.000 1.115 584 I CA 1.710 63.038 61.300 0.048 0.000 1.392 584 I CB -0.617 37.379 38.000 -0.006 0.000 1.065 584 I HN 0.341 nan 8.210 nan 0.000 0.418 585 T N 1.138 115.698 114.554 0.009 0.000 2.708 585 T HA -0.161 4.179 4.350 -0.015 0.000 0.266 585 T C 1.872 176.523 174.700 -0.082 0.000 1.037 585 T CA 1.215 63.312 62.100 -0.006 0.000 1.146 585 T CB -0.282 68.604 68.868 0.030 0.000 0.865 585 T HN 0.078 nan 8.240 nan 0.000 0.435 586 L N 0.146 121.250 121.223 -0.197 0.000 2.042 586 L HA -0.049 4.282 4.340 -0.015 0.000 0.210 586 L C 2.116 178.944 176.870 -0.069 0.000 1.076 586 L CA 1.598 56.321 54.840 -0.195 0.000 0.749 586 L CB -1.058 40.815 42.059 -0.312 0.000 0.893 586 L HN 0.367 nan 8.230 nan 0.000 0.432 587 Y N 0.178 120.413 120.300 -0.109 0.000 2.145 587 Y HA -0.287 4.254 4.550 -0.015 0.000 0.286 587 Y C 2.448 178.329 175.900 -0.031 0.000 1.145 587 Y CA 1.849 59.925 58.100 -0.040 0.000 1.148 587 Y CB -0.087 38.392 38.460 0.032 0.000 0.981 587 Y HN 0.280 nan 8.280 nan 0.000 0.507 588 N N 0.428 119.079 118.700 -0.081 0.000 2.188 588 N HA -0.134 4.596 4.740 -0.015 0.000 0.184 588 N C 1.841 177.242 175.510 -0.182 0.000 1.018 588 N CA 1.440 54.384 53.050 -0.177 0.000 0.858 588 N CB -0.366 38.079 38.487 -0.071 0.000 0.989 588 N HN 0.434 nan 8.380 nan 0.000 0.426 589 R N 0.464 120.883 120.500 -0.134 0.000 2.081 589 R HA 0.037 4.367 4.340 -0.015 0.000 0.235 589 R C 2.234 178.449 176.300 -0.141 0.000 1.131 589 R CA 0.836 56.864 56.100 -0.120 0.000 0.960 589 R CB -0.278 29.961 30.300 -0.102 0.000 0.856 589 R HN 0.236 nan 8.270 nan 0.000 0.436 590 I N 0.926 121.393 120.570 -0.172 0.000 2.179 590 I HA -0.276 3.884 4.170 -0.015 0.000 0.242 590 I C 2.126 178.126 176.117 -0.195 0.000 1.088 590 I CA 1.235 62.433 61.300 -0.170 0.000 1.357 590 I CB -0.174 37.731 38.000 -0.159 0.000 1.051 590 I HN 0.029 nan 8.210 nan 0.000 0.409 591 K N 0.797 121.015 120.400 -0.303 0.000 2.209 591 K HA -0.200 4.111 4.320 -0.015 0.000 0.204 591 K C 2.013 178.515 176.600 -0.163 0.000 1.048 591 K CA 1.152 57.278 56.287 -0.268 0.000 0.940 591 K CB -0.285 31.979 32.500 -0.394 0.000 0.729 591 K HN 0.329 nan 8.250 nan 0.000 0.451 592 K N 1.123 121.434 120.400 -0.148 0.000 2.062 592 K HA -0.077 4.234 4.320 -0.015 0.000 0.205 592 K C 0.094 176.648 176.600 -0.077 0.000 1.051 592 K CA 1.039 57.265 56.287 -0.101 0.000 0.941 592 K CB 0.353 32.798 32.500 -0.093 0.000 0.719 592 K HN 0.068 nan 8.250 nan 0.000 0.440 593 E N 0.187 120.339 120.200 -0.079 0.000 3.303 593 E HA 0.116 4.457 4.350 -0.015 0.000 0.215 593 E C -2.323 174.243 176.600 -0.056 0.000 1.181 593 E CA -1.585 54.782 56.400 -0.056 0.000 0.998 593 E CB 1.688 31.361 29.700 -0.045 0.000 1.312 593 E HN 0.145 nan 8.360 nan 0.000 0.412 594 P HA -0.126 nan 4.420 nan 0.000 0.218 594 P C 0.306 177.589 177.300 -0.029 0.000 1.149 594 P CA 1.186 64.256 63.100 -0.051 0.000 0.817 594 P CB 0.206 31.881 31.700 -0.043 0.000 0.785 595 N N -1.261 117.431 118.700 -0.014 0.000 2.268 595 N HA 0.018 4.748 4.740 -0.015 0.000 0.204 595 N C 0.580 176.106 175.510 0.026 0.000 1.124 595 N CA -0.087 52.967 53.050 0.007 0.000 0.838 595 N CB 0.093 38.584 38.487 0.006 0.000 0.994 595 N HN 0.018 nan 8.380 nan 0.000 0.489 596 K N 0.990 121.400 120.400 0.017 0.000 2.118 596 K HA 0.156 4.467 4.320 -0.015 0.000 0.264 596 K C -0.903 175.741 176.600 0.072 0.000 1.000 596 K CA -0.519 55.794 56.287 0.044 0.000 0.929 596 K CB 0.676 33.183 32.500 0.011 0.000 1.021 596 K HN -0.052 nan 8.250 nan 0.000 0.463 597 F N 3.939 123.875 119.950 -0.022 0.000 2.427 597 F HA 0.261 4.779 4.527 -0.015 0.000 0.352 597 F C -0.455 175.331 175.800 -0.024 0.000 1.100 597 F CA -0.313 57.675 58.000 -0.020 0.000 1.191 597 F CB 0.682 39.673 39.000 -0.015 0.000 1.128 597 F HN 0.162 nan 8.300 nan 0.000 0.533 598 V N 4.095 123.468 119.914 -0.902 0.000 2.876 598 V HA 0.544 4.655 4.120 -0.015 0.000 0.312 598 V C -0.721 174.742 176.094 -1.053 0.000 1.085 598 V CA -1.228 60.625 62.300 -0.746 0.000 0.945 598 V CB 1.000 32.607 31.823 -0.361 0.000 1.017 598 V HN 0.570 nan 8.190 nan 0.000 0.428 599 V N 5.119 124.672 119.914 -0.603 0.000 2.493 599 V HA 0.189 4.300 4.120 -0.015 0.000 0.292 599 V C -1.698 174.226 176.094 -0.283 0.000 1.016 599 V CA -0.397 61.702 62.300 -0.336 0.000 1.097 599 V CB 0.326 32.081 31.823 -0.113 0.000 0.947 599 V HN 0.917 nan 8.190 nan 0.000 0.479 600 P HA 0.350 nan 4.420 nan 0.000 0.271 600 P C -0.492 176.721 177.300 -0.146 0.000 1.216 600 P CA -0.186 62.823 63.100 -0.151 0.000 0.776 600 P CB 0.683 32.339 31.700 -0.074 0.000 0.881 601 R N 0.720 121.148 120.500 -0.120 0.000 2.744 601 R HA 0.562 4.893 4.340 -0.015 0.000 0.279 601 R C -0.653 175.614 176.300 -0.056 0.000 0.977 601 R CA -0.647 55.387 56.100 -0.110 0.000 0.906 601 R CB 1.934 32.154 30.300 -0.132 0.000 1.197 601 R HN 0.319 nan 8.270 nan 0.000 0.463 602 T N 1.967 116.506 114.554 -0.025 0.000 2.770 602 T HA 0.241 4.582 4.350 -0.015 0.000 0.297 602 T C -0.281 174.336 174.700 -0.140 0.000 0.997 602 T CA -0.495 61.546 62.100 -0.099 0.000 0.949 602 T CB 1.162 69.910 68.868 -0.199 0.000 0.941 602 T HN 0.138 nan 8.240 nan 0.000 0.457 603 V N 5.860 125.701 119.914 -0.122 0.000 2.348 603 V HA 0.379 4.490 4.120 -0.015 0.000 0.270 603 V C 0.057 176.074 176.094 -0.129 0.000 1.037 603 V CA -0.421 61.812 62.300 -0.111 0.000 0.872 603 V CB 0.486 32.262 31.823 -0.078 0.000 1.002 603 V HN 0.869 nan 8.190 nan 0.000 0.464 604 M N 6.552 126.062 119.600 -0.150 0.000 2.149 604 M HA 0.604 5.075 4.480 -0.015 0.000 0.342 604 M C -0.934 175.258 176.300 -0.179 0.000 1.068 604 M CA -0.115 55.087 55.300 -0.163 0.000 0.991 604 M CB 1.773 34.272 32.600 -0.169 0.000 1.596 604 M HN 0.429 nan 8.290 nan 0.000 0.439 605 I N 2.012 122.459 120.570 -0.205 0.000 2.498 605 I HA 0.802 4.962 4.170 -0.015 0.000 0.290 605 I C 0.139 175.942 176.117 -0.524 0.000 1.032 605 I CA -0.554 60.598 61.300 -0.247 0.000 1.073 605 I CB 2.234 40.177 38.000 -0.096 0.000 1.251 605 I HN 0.773 nan 8.210 nan 0.000 0.426 606 G N 2.940 111.399 108.800 -0.568 0.000 2.660 606 G HA2 0.856 4.807 3.960 -0.015 0.000 0.294 606 G HA3 0.856 4.807 3.960 -0.015 0.000 0.294 606 G C -0.960 173.657 174.900 -0.472 0.000 1.369 606 G CA -0.809 43.819 45.100 -0.786 0.000 0.912 606 G HN 0.991 nan 8.290 nan 0.000 0.479 607 G N -0.480 108.189 108.800 -0.218 0.000 2.329 607 G HA2 0.377 4.327 3.960 -0.015 0.000 0.308 607 G HA3 0.377 4.327 3.960 -0.015 0.000 0.308 607 G C -1.284 173.756 174.900 0.234 0.000 1.587 607 G CA -1.045 44.099 45.100 0.073 0.000 0.978 607 G HN 0.604 nan 8.290 nan 0.000 0.685 608 K N 0.010 120.543 120.400 0.222 0.000 2.130 608 K HA 0.733 5.044 4.320 -0.015 0.000 0.268 608 K C 0.362 177.111 176.600 0.248 0.000 0.983 608 K CA -0.104 56.336 56.287 0.255 0.000 0.893 608 K CB 1.953 34.515 32.500 0.102 0.000 1.066 608 K HN 0.889 nan 8.250 nan 0.000 0.450 609 A N 1.678 124.670 122.820 0.285 0.000 2.301 609 A HA 0.612 4.923 4.320 -0.015 0.000 0.312 609 A C -0.342 177.432 177.584 0.316 0.000 1.182 609 A CA -0.699 51.454 52.037 0.193 0.000 0.826 609 A CB 0.869 19.897 19.000 0.046 0.000 1.134 609 A HN 0.788 nan 8.150 nan 0.000 0.501 610 A N 3.805 126.806 122.820 0.301 0.000 2.546 610 A HA 0.454 4.765 4.320 -0.015 0.000 0.243 610 A C -1.332 176.352 177.584 0.165 0.000 1.063 610 A CA -0.773 51.444 52.037 0.299 0.000 0.757 610 A CB -0.372 18.805 19.000 0.295 0.000 0.991 610 A HN 0.613 nan 8.150 nan 0.000 0.503 611 P HA -0.147 nan 4.420 nan 0.000 0.217 611 P C 1.192 178.486 177.300 -0.009 0.000 1.148 611 P CA 2.037 65.084 63.100 -0.089 0.000 0.834 611 P CB 0.230 31.830 31.700 -0.167 0.000 0.783 612 G N -3.152 105.673 108.800 0.042 0.000 3.393 612 G HA2 -0.017 3.934 3.960 -0.015 0.000 0.255 612 G HA3 -0.017 3.934 3.960 -0.015 0.000 0.255 612 G C -0.457 174.489 174.900 0.077 0.000 1.097 612 G CA -0.097 45.028 45.100 0.042 0.000 0.780 612 G HN 0.296 nan 8.290 nan 0.000 0.540 613 Y N 1.614 121.878 120.300 -0.061 0.000 2.676 613 Y HA 0.212 4.753 4.550 -0.015 0.000 0.338 613 Y C 1.582 177.468 175.900 -0.023 0.000 1.057 613 Y CA -1.085 56.958 58.100 -0.096 0.000 1.314 613 Y CB 0.230 38.613 38.460 -0.128 0.000 1.164 613 Y HN 0.321 nan 8.280 nan 0.000 0.509 614 H N 4.330 123.512 119.070 0.187 0.000 2.319 614 H HA -0.208 4.338 4.556 -0.015 0.000 0.299 614 H C 1.757 177.119 175.328 0.056 0.000 1.092 614 H CA 2.311 58.414 56.048 0.092 0.000 1.302 614 H CB 0.382 30.184 29.762 0.067 0.000 1.373 614 H HN 0.731 nan 8.280 nan 0.000 0.497 615 M N 1.070 120.701 119.600 0.052 0.000 2.108 615 M HA -0.081 4.390 4.480 -0.015 0.000 0.261 615 M C 2.561 178.647 176.300 -0.358 0.000 1.066 615 M CA 1.884 57.123 55.300 -0.102 0.000 1.107 615 M CB -0.782 31.880 32.600 0.102 0.000 1.356 615 M HN 0.336 nan 8.290 nan 0.000 0.406 616 A N -0.513 121.856 122.820 -0.752 0.000 1.972 616 A HA -0.175 4.136 4.320 -0.015 0.000 0.219 616 A C 2.188 179.569 177.584 -0.339 0.000 1.169 616 A CA 1.729 53.329 52.037 -0.729 0.000 0.635 616 A CB -0.640 17.689 19.000 -1.118 0.000 0.810 616 A HN 0.578 nan 8.150 nan 0.000 0.446 617 K N -1.137 119.120 120.400 -0.239 0.000 2.155 617 K HA -0.026 4.284 4.320 -0.015 0.000 0.203 617 K C 1.854 178.401 176.600 -0.089 0.000 1.052 617 K CA 1.103 57.333 56.287 -0.095 0.000 0.948 617 K CB -0.201 32.303 32.500 0.007 0.000 0.728 617 K HN 0.346 nan 8.250 nan 0.000 0.448 618 M N 0.558 120.062 119.600 -0.161 0.000 2.175 618 M HA -0.068 4.403 4.480 -0.015 0.000 0.264 618 M C 2.109 178.351 176.300 -0.098 0.000 1.063 618 M CA 1.346 56.590 55.300 -0.094 0.000 1.119 618 M CB -0.628 31.904 32.600 -0.114 0.000 1.377 618 M HN 0.104 nan 8.290 nan 0.000 0.415 619 I N -0.118 120.357 120.570 -0.159 0.000 2.226 619 I HA -0.308 3.853 4.170 -0.015 0.000 0.245 619 I C 2.283 178.273 176.117 -0.212 0.000 1.100 619 I CA 1.089 62.284 61.300 -0.175 0.000 1.374 619 I CB -0.345 37.550 38.000 -0.174 0.000 1.057 619 I HN 0.164 nan 8.210 nan 0.000 0.413 620 I N 0.685 121.107 120.570 -0.246 0.000 2.163 620 I HA -0.335 3.826 4.170 -0.015 0.000 0.243 620 I C 2.624 178.455 176.117 -0.477 0.000 1.085 620 I CA 1.404 62.458 61.300 -0.411 0.000 1.347 620 I CB -0.368 37.359 38.000 -0.454 0.000 1.044 620 I HN 0.165 nan 8.210 nan 0.000 0.408 621 K N 1.467 121.594 120.400 -0.455 0.000 2.063 621 K HA -0.167 4.144 4.320 -0.015 0.000 0.208 621 K C 2.057 178.494 176.600 -0.271 0.000 1.048 621 K CA 1.523 57.466 56.287 -0.573 0.000 0.928 621 K CB -0.616 31.254 32.500 -1.049 0.000 0.713 621 K HN 0.232 nan 8.250 nan 0.000 0.442 622 L N 0.417 121.519 121.223 -0.201 0.000 2.012 622 L HA -0.200 4.131 4.340 -0.015 0.000 0.210 622 L C 2.226 178.868 176.870 -0.380 0.000 1.073 622 L CA 1.865 56.424 54.840 -0.469 0.000 0.748 622 L CB -0.343 41.364 42.059 -0.586 0.000 0.891 622 L HN 0.295 nan 8.230 nan 0.000 0.431 623 I N -0.206 120.190 120.570 -0.290 0.000 2.163 623 I HA -0.341 3.820 4.170 -0.015 0.000 0.243 623 I C 2.649 178.662 176.117 -0.173 0.000 1.085 623 I CA 1.948 63.128 61.300 -0.200 0.000 1.347 623 I CB -0.512 37.444 38.000 -0.073 0.000 1.044 623 I HN 0.440 nan 8.210 nan 0.000 0.408 624 T N -0.833 113.589 114.554 -0.221 0.000 2.788 624 T HA -0.103 4.238 4.350 -0.015 0.000 0.268 624 T C 1.985 176.617 174.700 -0.115 0.000 1.044 624 T CA 0.987 62.986 62.100 -0.168 0.000 1.139 624 T CB -0.520 68.203 68.868 -0.243 0.000 0.867 624 T HN 0.337 nan 8.240 nan 0.000 0.454 625 A N 1.571 124.320 122.820 -0.120 0.000 1.933 625 A HA 0.122 4.433 4.320 -0.015 0.000 0.218 625 A C 2.388 179.978 177.584 0.011 0.000 1.175 625 A CA 1.383 53.414 52.037 -0.009 0.000 0.628 625 A CB -0.831 18.249 19.000 0.133 0.000 0.814 625 A HN 0.609 nan 8.150 nan 0.000 0.444 626 I N -0.277 120.209 120.570 -0.140 0.000 2.179 626 I HA -0.199 3.962 4.170 -0.015 0.000 0.242 626 I C 2.736 178.810 176.117 -0.072 0.000 1.088 626 I CA 1.143 62.349 61.300 -0.157 0.000 1.357 626 I CB -0.729 37.062 38.000 -0.347 0.000 1.051 626 I HN 0.381 nan 8.210 nan 0.000 0.409 627 G N 0.527 109.280 108.800 -0.078 0.000 2.440 627 G HA2 -0.278 3.673 3.960 -0.015 0.000 0.218 627 G HA3 -0.278 3.673 3.960 -0.015 0.000 0.218 627 G C 1.282 176.182 174.900 0.001 0.000 1.154 627 G CA 1.101 46.169 45.100 -0.054 0.000 0.767 627 G HN 0.286 nan 8.290 nan 0.000 0.552 628 D N -0.054 120.377 120.400 0.051 0.000 2.149 628 D HA -0.087 4.544 4.640 -0.015 0.000 0.198 628 D C 2.706 179.108 176.300 0.170 0.000 0.990 628 D CA 0.773 54.860 54.000 0.145 0.000 0.839 628 D CB -0.181 40.656 40.800 0.061 0.000 0.948 628 D HN 0.254 nan 8.370 nan 0.000 0.460 629 V N 0.047 119.997 119.914 0.060 0.000 2.379 629 V HA -0.122 3.989 4.120 -0.015 0.000 0.243 629 V C 2.578 178.628 176.094 -0.074 0.000 1.035 629 V CA 0.689 62.975 62.300 -0.023 0.000 1.035 629 V CB -0.184 31.595 31.823 -0.073 0.000 0.673 629 V HN 0.023 nan 8.190 nan 0.000 0.457 630 V N 0.944 120.761 119.914 -0.163 0.000 2.307 630 V HA -0.196 3.915 4.120 -0.015 0.000 0.245 630 V C 2.175 178.230 176.094 -0.065 0.000 1.045 630 V CA 2.021 64.210 62.300 -0.184 0.000 1.024 630 V CB -0.799 30.907 31.823 -0.194 0.000 0.651 630 V HN 0.564 nan 8.190 nan 0.000 0.449 631 N N -0.336 118.283 118.700 -0.135 0.000 2.512 631 N HA -0.082 4.649 4.740 -0.015 0.000 0.183 631 N C 1.130 176.379 175.510 -0.434 0.000 1.073 631 N CA 0.891 53.767 53.050 -0.290 0.000 0.911 631 N CB -0.248 37.999 38.487 -0.399 0.000 0.964 631 N HN 0.683 nan 8.380 nan 0.000 0.447 632 H N -1.502 117.576 119.070 0.012 0.000 2.674 632 H HA 0.221 4.768 4.556 -0.015 0.000 0.274 632 H C -0.586 174.762 175.328 0.033 0.000 1.121 632 H CA -0.504 55.555 56.048 0.018 0.000 1.132 632 H CB 0.566 30.329 29.762 0.002 0.000 1.606 632 H HN -0.027 nan 8.280 nan 0.000 0.558 633 D N 1.763 122.241 120.400 0.129 0.000 2.316 633 D HA 0.052 4.683 4.640 -0.015 0.000 0.245 633 D C -1.620 174.739 176.300 0.099 0.000 1.171 633 D CA -2.047 52.041 54.000 0.145 0.000 0.856 633 D CB 1.770 42.730 40.800 0.267 0.000 1.090 633 D HN 0.109 nan 8.370 nan 0.000 0.476 634 P HA -0.100 nan 4.420 nan 0.000 0.218 634 P C 1.557 178.879 177.300 0.036 0.000 1.149 634 P CA 0.352 63.482 63.100 0.049 0.000 0.817 634 P CB 0.411 32.135 31.700 0.040 0.000 0.785 635 V N -0.578 119.358 119.914 0.037 0.000 2.515 635 V HA -0.158 3.952 4.120 -0.015 0.000 0.250 635 V C 2.462 178.562 176.094 0.009 0.000 1.058 635 V CA 1.433 63.742 62.300 0.014 0.000 1.064 635 V CB -1.078 30.743 31.823 -0.002 0.000 0.675 635 V HN -0.019 nan 8.190 nan 0.000 0.461 636 V N -0.162 119.776 119.914 0.039 0.000 2.379 636 V HA 0.114 4.225 4.120 -0.015 0.000 0.245 636 V C 1.779 177.882 176.094 0.015 0.000 1.044 636 V CA 1.622 63.945 62.300 0.039 0.000 1.036 636 V CB -1.109 30.785 31.823 0.118 0.000 0.664 636 V HN 0.751 nan 8.190 nan 0.000 0.453 637 G N 1.490 110.302 108.800 0.020 0.000 2.527 637 G HA2 -0.344 3.606 3.960 -0.015 0.000 0.268 637 G HA3 -0.344 3.606 3.960 -0.015 0.000 0.268 637 G C 0.194 175.096 174.900 0.002 0.000 1.175 637 G CA 0.373 45.479 45.100 0.010 0.000 0.962 637 G HN 0.681 nan 8.290 nan 0.000 0.560 638 D N 0.351 120.751 120.400 0.000 0.000 2.491 638 D HA 0.219 4.850 4.640 -0.015 0.000 0.228 638 D C 1.710 178.003 176.300 -0.011 0.000 1.183 638 D CA 0.001 54.001 54.000 0.001 0.000 0.827 638 D CB -0.046 40.762 40.800 0.013 0.000 0.989 638 D HN 0.601 nan 8.370 nan 0.000 0.494 639 R N -0.765 119.719 120.500 -0.027 0.000 2.210 639 R HA 0.242 4.573 4.340 -0.015 0.000 0.203 639 R C -0.093 176.168 176.300 -0.065 0.000 1.010 639 R CA 0.092 56.155 56.100 -0.062 0.000 1.008 639 R CB 0.440 30.688 30.300 -0.087 0.000 0.923 639 R HN 0.102 nan 8.270 nan 0.000 0.469 640 L N 0.832 122.033 121.223 -0.037 0.000 2.476 640 L HA 0.395 4.726 4.340 -0.015 0.000 0.269 640 L C -1.534 175.315 176.870 -0.036 0.000 0.965 640 L CA -0.500 54.318 54.840 -0.038 0.000 0.845 640 L CB 1.776 43.827 42.059 -0.013 0.000 1.259 640 L HN -0.176 nan 8.230 nan 0.000 0.403 641 R N 3.952 124.419 120.500 -0.055 0.000 2.561 641 R HA 0.730 5.061 4.340 -0.015 0.000 0.297 641 R C -1.596 174.654 176.300 -0.085 0.000 0.969 641 R CA -0.766 55.291 56.100 -0.070 0.000 0.879 641 R CB 2.373 32.633 30.300 -0.066 0.000 1.178 641 R HN 0.415 nan 8.270 nan 0.000 0.445 642 V N 5.170 125.031 119.914 -0.088 0.000 2.378 642 V HA 0.456 4.567 4.120 -0.015 0.000 0.288 642 V C -0.190 175.860 176.094 -0.073 0.000 1.016 642 V CA -0.692 61.557 62.300 -0.084 0.000 0.840 642 V CB 1.517 33.288 31.823 -0.087 0.000 0.994 642 V HN 0.535 nan 8.190 nan 0.000 0.431 643 I N 4.906 125.431 120.570 -0.076 0.000 2.465 643 I HA 0.439 4.600 4.170 -0.015 0.000 0.291 643 I C -0.650 175.447 176.117 -0.033 0.000 1.014 643 I CA -0.352 60.911 61.300 -0.063 0.000 1.093 643 I CB 1.847 39.784 38.000 -0.105 0.000 1.267 643 I HN 0.554 nan 8.210 nan 0.000 0.431 644 F N 7.391 127.270 119.950 -0.120 0.000 2.391 644 F HA 0.458 4.976 4.527 -0.015 0.000 0.359 644 F C -0.592 175.137 175.800 -0.119 0.000 1.122 644 F CA -0.671 57.261 58.000 -0.113 0.000 1.120 644 F CB 0.603 39.539 39.000 -0.106 0.000 1.142 644 F HN 0.153 nan 8.300 nan 0.000 0.483 645 L N 6.135 126.948 121.223 -0.683 0.000 2.407 645 L HA 0.162 4.493 4.340 -0.015 0.000 0.282 645 L C 0.272 176.858 176.870 -0.473 0.000 1.110 645 L CA 0.126 54.693 54.840 -0.455 0.000 0.863 645 L CB 0.170 42.051 42.059 -0.297 0.000 1.207 645 L HN 0.616 nan 8.230 nan 0.000 0.454 646 E N 3.429 123.513 120.200 -0.193 0.000 2.373 646 E HA 0.004 4.345 4.350 -0.015 0.000 0.267 646 E C 0.471 177.131 176.600 0.101 0.000 1.032 646 E CA -0.241 56.192 56.400 0.056 0.000 0.889 646 E CB 0.337 30.058 29.700 0.034 0.000 0.984 646 E HN 0.541 nan 8.360 nan 0.000 0.425 647 N N 2.470 121.284 118.700 0.191 0.000 2.738 647 N HA -0.279 4.452 4.740 -0.015 0.000 0.249 647 N C -1.558 174.044 175.510 0.154 0.000 1.047 647 N CA 0.531 53.689 53.050 0.180 0.000 0.707 647 N CB -1.628 36.977 38.487 0.197 0.000 0.937 647 N HN 0.494 nan 8.380 nan 0.000 0.545 648 Y N 1.585 121.893 120.300 0.014 0.000 2.721 648 Y HA 0.174 4.715 4.550 -0.016 0.000 0.329 648 Y C 1.130 177.050 175.900 0.033 0.000 1.211 648 Y CA 0.694 58.791 58.100 -0.004 0.000 1.512 648 Y CB 0.312 38.737 38.460 -0.058 0.000 1.249 648 Y HN 0.371 nan 8.280 nan 0.000 0.549 649 R N 2.417 122.550 120.500 -0.611 0.000 2.741 649 R HA 0.405 4.736 4.340 -0.015 0.000 0.274 649 R C -0.561 175.419 176.300 -0.534 0.000 1.029 649 R CA -0.589 55.260 56.100 -0.418 0.000 0.880 649 R CB 0.293 30.534 30.300 -0.097 0.000 1.264 649 R HN 0.360 nan 8.270 nan 0.000 0.465 650 V N 1.091 120.733 119.914 -0.453 0.000 2.282 650 V HA -0.292 3.819 4.120 -0.015 0.000 0.249 650 V C 2.558 178.528 176.094 -0.207 0.000 1.057 650 V CA 2.870 64.953 62.300 -0.362 0.000 1.032 650 V CB -0.784 30.787 31.823 -0.421 0.000 0.645 650 V HN 0.922 nan 8.190 nan 0.000 0.447 651 S N -0.184 115.414 115.700 -0.171 0.000 2.423 651 S HA -0.138 4.323 4.470 -0.015 0.000 0.231 651 S C 1.895 176.443 174.600 -0.087 0.000 1.014 651 S CA 1.470 59.596 58.200 -0.124 0.000 0.965 651 S CB -0.426 62.725 63.200 -0.081 0.000 0.785 651 S HN 0.393 nan 8.310 nan 0.000 0.495 652 L N 1.884 123.067 121.223 -0.068 0.000 2.109 652 L HA 0.348 4.679 4.340 -0.015 0.000 0.207 652 L C 2.662 179.556 176.870 0.040 0.000 1.086 652 L CA 1.343 56.193 54.840 0.015 0.000 0.760 652 L CB -1.268 40.858 42.059 0.111 0.000 0.910 652 L HN 0.340 nan 8.230 nan 0.000 0.437 653 A N -0.587 122.234 122.820 0.002 0.000 1.908 653 A HA -0.248 4.063 4.320 -0.015 0.000 0.218 653 A C 2.125 179.774 177.584 0.108 0.000 1.181 653 A CA 1.870 53.983 52.037 0.127 0.000 0.627 653 A CB -0.656 18.412 19.000 0.114 0.000 0.818 653 A HN 0.588 nan 8.150 nan 0.000 0.445 654 E N -0.414 119.832 120.200 0.076 0.000 2.267 654 E HA -0.193 4.148 4.350 -0.015 0.000 0.197 654 E C 1.906 178.474 176.600 -0.053 0.000 0.998 654 E CA 1.341 57.736 56.400 -0.008 0.000 0.830 654 E CB -0.081 29.513 29.700 -0.176 0.000 0.751 654 E HN 0.638 nan 8.360 nan 0.000 0.491 655 K N -0.057 120.297 120.400 -0.077 0.000 2.141 655 K HA 0.027 4.338 4.320 -0.015 0.000 0.202 655 K C 2.124 178.560 176.600 -0.273 0.000 1.045 655 K CA 0.436 56.664 56.287 -0.099 0.000 0.971 655 K CB 0.096 32.548 32.500 -0.080 0.000 0.795 655 K HN -0.046 nan 8.250 nan 0.000 0.459 656 V N 1.667 121.339 119.914 -0.404 0.000 2.649 656 V HA -0.093 4.018 4.120 -0.015 0.000 0.248 656 V C 1.838 177.694 176.094 -0.397 0.000 1.054 656 V CA 1.059 62.900 62.300 -0.764 0.000 1.073 656 V CB -0.130 31.334 31.823 -0.598 0.000 0.699 656 V HN 0.227 nan 8.190 nan 0.000 0.463 657 I N 0.888 121.273 120.570 -0.307 0.000 2.127 657 I HA -0.136 4.025 4.170 -0.015 0.000 0.241 657 I C -0.190 175.803 176.117 -0.207 0.000 1.075 657 I CA 1.726 62.769 61.300 -0.429 0.000 1.334 657 I CB -1.559 36.049 38.000 -0.653 0.000 1.040 657 I HN 0.360 nan 8.210 nan 0.000 0.405 658 P HA -0.141 nan 4.420 nan 0.000 0.221 658 P C 1.070 178.366 177.300 -0.006 0.000 1.145 658 P CA 1.411 64.486 63.100 -0.042 0.000 0.795 658 P CB -0.026 31.659 31.700 -0.025 0.000 0.775 659 A N -1.168 121.632 122.820 -0.033 0.000 2.208 659 A HA 0.406 4.717 4.320 -0.015 0.000 0.209 659 A C 1.224 178.920 177.584 0.186 0.000 1.161 659 A CA 0.286 52.363 52.037 0.066 0.000 0.782 659 A CB -0.774 18.267 19.000 0.068 0.000 0.816 659 A HN 0.220 nan 8.150 nan 0.000 0.477 660 A N -0.228 122.695 122.820 0.172 0.000 2.316 660 A HA 0.502 4.813 4.320 -0.015 0.000 0.284 660 A C 0.301 178.045 177.584 0.266 0.000 1.115 660 A CA -0.263 51.943 52.037 0.281 0.000 0.812 660 A CB 0.433 19.668 19.000 0.391 0.000 1.064 660 A HN 0.253 nan 8.150 nan 0.000 0.489 661 D N 0.414 120.977 120.400 0.273 0.000 2.394 661 D HA 0.118 4.749 4.640 -0.015 0.000 0.226 661 D C -0.002 176.532 176.300 0.391 0.000 0.990 661 D CA 0.732 54.953 54.000 0.367 0.000 0.902 661 D CB 0.334 41.290 40.800 0.260 0.000 1.038 661 D HN 0.347 nan 8.370 nan 0.000 0.499 662 L N 1.215 122.552 121.223 0.189 0.000 2.349 662 L HA 0.282 4.613 4.340 -0.015 0.000 0.278 662 L C -0.799 175.974 176.870 -0.161 0.000 0.996 662 L CA -0.303 54.567 54.840 0.050 0.000 0.825 662 L CB 2.048 44.107 42.059 0.001 0.000 1.243 662 L HN -0.181 nan 8.230 nan 0.000 0.412 663 S N 4.432 119.947 115.700 -0.308 0.000 2.438 663 S HA 0.335 4.796 4.470 -0.015 0.000 0.293 663 S C -0.389 173.943 174.600 -0.446 0.000 1.141 663 S CA -0.668 57.105 58.200 -0.710 0.000 1.080 663 S CB 0.684 63.383 63.200 -0.836 0.000 0.978 663 S HN 0.557 nan 8.310 nan 0.000 0.479 664 E N 4.086 124.031 120.200 -0.425 0.000 2.089 664 E HA 0.225 4.566 4.350 -0.015 0.000 0.284 664 E C -0.553 175.927 176.600 -0.202 0.000 1.023 664 E CA -0.432 55.837 56.400 -0.218 0.000 0.819 664 E CB 1.072 30.676 29.700 -0.161 0.000 1.076 664 E HN 0.615 nan 8.360 nan 0.000 0.396 665 Q N 2.884 122.620 119.800 -0.106 0.000 3.064 665 Q HA 0.274 4.605 4.340 -0.015 0.000 0.258 665 Q C 0.594 176.570 176.000 -0.041 0.000 0.972 665 Q CA -0.110 55.643 55.803 -0.084 0.000 0.761 665 Q CB 0.292 28.989 28.738 -0.067 0.000 1.281 665 Q HN 0.624 nan 8.270 nan 0.000 0.455 666 I N -1.807 118.726 120.570 -0.063 0.000 3.707 666 I HA 0.266 4.427 4.170 -0.015 0.000 0.330 666 I C 0.440 176.501 176.117 -0.094 0.000 1.572 666 I CA -0.689 60.585 61.300 -0.044 0.000 1.104 666 I CB 0.551 38.532 38.000 -0.032 0.000 1.240 666 I HN 0.021 nan 8.210 nan 0.000 0.475 667 S N 0.688 116.333 115.700 -0.091 0.000 2.563 667 S HA 0.130 4.591 4.470 -0.015 0.000 0.284 667 S C 0.586 175.165 174.600 -0.034 0.000 1.331 667 S CA -0.173 57.997 58.200 -0.051 0.000 1.047 667 S CB 0.166 63.387 63.200 0.035 0.000 0.859 667 S HN 0.394 nan 8.310 nan 0.000 0.514 668 T N 2.930 117.496 114.554 0.020 0.000 2.908 668 T HA 0.373 4.714 4.350 -0.015 0.000 0.301 668 T C 0.780 175.490 174.700 0.017 0.000 1.019 668 T CA 0.260 62.380 62.100 0.034 0.000 1.152 668 T CB -0.053 68.904 68.868 0.149 0.000 0.966 668 T HN 1.042 nan 8.240 nan 0.000 0.540 669 A N 2.751 125.550 122.820 -0.034 0.000 2.580 669 A HA 0.444 4.755 4.320 -0.015 0.000 0.244 669 A C 1.637 179.215 177.584 -0.009 0.000 1.045 669 A CA 0.304 52.318 52.037 -0.038 0.000 0.761 669 A CB -0.897 18.069 19.000 -0.057 0.000 0.962 669 A HN 1.754 nan 8.150 nan 0.000 0.512 670 G N 1.342 110.135 108.800 -0.011 0.000 2.176 670 G HA2 -0.217 3.734 3.960 -0.015 0.000 0.232 670 G HA3 -0.217 3.734 3.960 -0.015 0.000 0.232 670 G C 0.807 175.693 174.900 -0.023 0.000 0.986 670 G CA 1.054 46.148 45.100 -0.009 0.000 0.643 670 G HN 1.978 nan 8.290 nan 0.000 0.522 671 T N -2.542 111.991 114.554 -0.035 0.000 3.026 671 T HA 0.412 4.753 4.350 -0.015 0.000 0.245 671 T C 0.727 175.252 174.700 -0.293 0.000 1.004 671 T CA 1.020 63.026 62.100 -0.157 0.000 1.069 671 T CB 0.561 69.379 68.868 -0.083 0.000 1.005 671 T HN 0.267 nan 8.240 nan 0.000 0.472 672 E N 1.662 121.829 120.200 -0.055 0.000 1.996 672 E HA 0.661 5.001 4.350 -0.015 0.000 0.280 672 E C 1.182 177.730 176.600 -0.086 0.000 1.092 672 E CA 0.074 56.492 56.400 0.031 0.000 0.862 672 E CB 0.739 30.525 29.700 0.144 0.000 1.066 672 E HN 0.361 nan 8.360 nan 0.000 0.396 673 A N 3.417 126.107 122.820 -0.216 0.000 1.892 673 A HA -0.225 4.086 4.320 -0.015 0.000 0.218 673 A C 1.996 179.454 177.584 -0.210 0.000 1.188 673 A CA 2.290 54.061 52.037 -0.444 0.000 0.631 673 A CB -0.274 18.200 19.000 -0.877 0.000 0.822 673 A HN 0.608 nan 8.150 nan 0.000 0.447 674 S N -3.879 111.758 115.700 -0.105 0.000 3.984 674 S HA 0.451 4.912 4.470 -0.015 0.000 0.221 674 S C 0.726 175.317 174.600 -0.015 0.000 1.149 674 S CA 1.428 59.612 58.200 -0.026 0.000 0.950 674 S CB -0.147 63.061 63.200 0.013 0.000 1.216 674 S HN 2.283 nan 8.310 nan 0.000 0.547 675 G N 0.400 109.197 108.800 -0.005 0.000 2.722 675 G HA2 -0.065 3.886 3.960 -0.015 0.000 0.686 675 G HA3 -0.065 3.886 3.960 -0.015 0.000 0.686 675 G C 0.265 175.148 174.900 -0.028 0.000 1.282 675 G CA 0.459 45.552 45.100 -0.011 0.000 0.817 675 G HN 1.337 nan 8.290 nan 0.000 0.605 676 T N -1.739 112.786 114.554 -0.048 0.000 3.010 676 T HA 0.378 4.719 4.350 -0.015 0.000 0.253 676 T C 2.443 177.051 174.700 -0.154 0.000 0.939 676 T CA 1.283 63.326 62.100 -0.095 0.000 0.910 676 T CB 0.185 68.991 68.868 -0.104 0.000 1.226 676 T HN 1.926 nan 8.240 nan 0.000 0.508 677 G N 3.256 111.993 108.800 -0.107 0.000 2.469 677 G HA2 -0.332 3.619 3.960 -0.015 0.000 0.219 677 G HA3 -0.332 3.619 3.960 -0.015 0.000 0.219 677 G C 1.463 176.427 174.900 0.106 0.000 1.150 677 G CA 1.350 46.420 45.100 -0.050 0.000 0.763 677 G HN 0.847 nan 8.290 nan 0.000 0.561 678 N N -0.061 118.668 118.700 0.049 0.000 2.061 678 N HA -0.113 4.617 4.740 -0.015 0.000 0.193 678 N C 1.468 176.990 175.510 0.019 0.000 1.030 678 N CA 0.711 53.786 53.050 0.043 0.000 0.856 678 N CB -0.352 38.113 38.487 -0.037 0.000 1.023 678 N HN 0.348 nan 8.380 nan 0.000 0.424 682 M N 0.323 120.011 119.600 0.146 0.000 2.108 682 M HA -0.169 4.302 4.480 -0.015 0.000 0.261 682 M C 1.979 178.332 176.300 0.089 0.000 1.066 682 M CA 1.832 57.189 55.300 0.095 0.000 1.107 682 M CB -0.073 32.576 32.600 0.082 0.000 1.356 682 M HN 0.322 nan 8.290 nan 0.000 0.406 683 L N 0.590 121.860 121.223 0.078 0.000 2.291 683 L HA -0.069 4.262 4.340 -0.015 0.000 0.214 683 L C 1.266 178.178 176.870 0.070 0.000 1.120 683 L CA 1.586 56.478 54.840 0.086 0.000 0.799 683 L CB -0.530 41.588 42.059 0.098 0.000 0.925 683 L HN 0.338 nan 8.230 nan 0.000 0.446 684 N N -0.396 118.336 118.700 0.053 0.000 2.214 684 N HA 0.196 4.927 4.740 -0.015 0.000 0.214 684 N C 0.782 176.327 175.510 0.058 0.000 1.132 684 N CA 0.778 53.853 53.050 0.042 0.000 0.856 684 N CB 0.712 39.200 38.487 0.002 0.000 1.020 684 N HN 0.357 nan 8.380 nan 0.000 0.509 685 G N 0.634 109.476 108.800 0.071 0.000 2.142 685 G HA2 -0.175 3.776 3.960 -0.015 0.000 0.225 685 G HA3 -0.175 3.776 3.960 -0.015 0.000 0.225 685 G C -0.048 174.927 174.900 0.123 0.000 1.015 685 G CA 0.088 45.233 45.100 0.074 0.000 0.716 685 G HN 0.510 nan 8.290 nan 0.000 0.508 686 A N -0.345 122.559 122.820 0.140 0.000 2.320 686 A HA 0.895 5.206 4.320 -0.015 0.000 0.334 686 A C 0.372 177.969 177.584 0.023 0.000 1.147 686 A CA -0.636 51.503 52.037 0.169 0.000 0.820 686 A CB 1.035 20.193 19.000 0.264 0.000 1.218 686 A HN 0.738 nan 8.150 nan 0.000 0.482 687 L N 0.756 121.957 121.223 -0.037 0.000 2.379 687 L HA 0.441 4.772 4.340 -0.015 0.000 0.269 687 L C 0.159 176.921 176.870 -0.181 0.000 1.084 687 L CA -0.364 54.358 54.840 -0.196 0.000 0.802 687 L CB 1.572 43.441 42.059 -0.318 0.000 1.175 687 L HN 0.679 nan 8.230 nan 0.000 0.448 688 T N 2.975 117.292 114.554 -0.396 0.000 2.758 688 T HA 0.439 4.780 4.350 -0.015 0.000 0.285 688 T C -0.340 174.230 174.700 -0.217 0.000 0.981 688 T CA -0.224 61.611 62.100 -0.441 0.000 0.965 688 T CB 1.256 69.646 68.868 -0.797 0.000 0.927 688 T HN 0.339 nan 8.240 nan 0.000 0.448 689 I N 3.236 123.774 120.570 -0.053 0.000 2.321 689 I HA 0.699 4.859 4.170 -0.015 0.000 0.291 689 I C 0.195 176.440 176.117 0.213 0.000 0.998 689 I CA 0.192 61.572 61.300 0.132 0.000 1.227 689 I CB 0.256 38.283 38.000 0.045 0.000 1.368 689 I HN 0.773 nan 8.210 nan 0.000 0.466 690 G N 3.954 112.955 108.800 0.336 0.000 2.576 690 G HA2 0.431 4.382 3.960 -0.015 0.000 0.290 690 G HA3 0.431 4.382 3.960 -0.015 0.000 0.290 690 G C -0.917 173.919 174.900 -0.107 0.000 1.442 690 G CA -0.403 44.806 45.100 0.181 0.000 0.792 690 G HN 0.586 nan 8.290 nan 0.000 0.491 691 T N -1.275 113.078 114.554 -0.336 0.000 2.874 691 T HA 0.506 4.847 4.350 -0.015 0.000 0.281 691 T C 0.769 175.358 174.700 -0.184 0.000 0.994 691 T CA -0.676 61.155 62.100 -0.448 0.000 1.015 691 T CB 1.086 69.700 68.868 -0.424 0.000 1.028 691 T HN 0.271 nan 8.240 nan 0.000 0.523 692 M N 2.871 122.374 119.600 -0.162 0.000 3.254 692 M HA 0.316 4.787 4.480 -0.015 0.000 0.257 692 M C -0.439 175.813 176.300 -0.080 0.000 1.490 692 M CA -0.008 55.234 55.300 -0.096 0.000 1.620 692 M CB -1.787 30.764 32.600 -0.081 0.000 1.157 692 M HN 0.736 nan 8.290 nan 0.000 0.541 693 D N 0.019 120.377 120.400 -0.069 0.000 2.671 693 D HA 0.669 5.300 4.640 -0.015 0.000 0.232 693 D C 0.740 177.021 176.300 -0.031 0.000 1.114 693 D CA 0.710 54.682 54.000 -0.046 0.000 0.858 693 D CB 1.711 42.483 40.800 -0.046 0.000 1.544 693 D HN 0.595 nan 8.370 nan 0.000 0.471 694 G N 1.797 110.587 108.800 -0.017 0.000 2.652 694 G HA2 -0.274 3.677 3.960 -0.015 0.000 0.318 694 G HA3 -0.274 3.677 3.960 -0.015 0.000 0.318 694 G C 1.060 175.956 174.900 -0.008 0.000 1.295 694 G CA 1.236 46.331 45.100 -0.008 0.000 0.999 694 G HN 1.073 nan 8.290 nan 0.000 0.548 695 A N -0.332 122.478 122.820 -0.017 0.000 2.167 695 A HA 0.104 4.415 4.320 -0.015 0.000 0.214 695 A C 2.116 179.639 177.584 -0.102 0.000 1.151 695 A CA 1.771 53.791 52.037 -0.029 0.000 0.735 695 A CB -0.433 18.540 19.000 -0.045 0.000 0.802 695 A HN 0.622 nan 8.150 nan 0.000 0.467 696 N N 0.644 119.295 118.700 -0.081 0.000 2.132 696 N HA -0.166 4.565 4.740 -0.015 0.000 0.191 696 N C 1.602 177.003 175.510 -0.182 0.000 1.015 696 N CA 1.663 54.666 53.050 -0.078 0.000 0.864 696 N CB -0.657 37.835 38.487 0.009 0.000 1.006 696 N HN 0.300 nan 8.380 nan 0.000 0.430 697 V N 1.234 121.079 119.914 -0.116 0.000 2.287 697 V HA -0.212 3.899 4.120 -0.015 0.000 0.248 697 V C 1.987 178.011 176.094 -0.116 0.000 1.053 697 V CA 1.712 63.942 62.300 -0.117 0.000 1.027 697 V CB -0.496 31.291 31.823 -0.060 0.000 0.646 697 V HN 0.349 nan 8.190 nan 0.000 0.447 698 E N -0.633 119.550 120.200 -0.028 0.000 2.158 698 E HA -0.115 4.226 4.350 -0.015 0.000 0.191 698 E C 2.206 178.908 176.600 0.170 0.000 0.982 698 E CA 0.972 57.429 56.400 0.095 0.000 0.823 698 E CB -0.173 29.670 29.700 0.237 0.000 0.766 698 E HN 0.542 nan 8.360 nan 0.000 0.468 699 M N 0.479 120.056 119.600 -0.039 0.000 2.086 699 M HA -0.137 4.334 4.480 -0.015 0.000 0.261 699 M C 2.499 178.525 176.300 -0.457 0.000 1.067 699 M CA 1.560 56.746 55.300 -0.189 0.000 1.116 699 M CB -0.195 32.173 32.600 -0.387 0.000 1.348 699 M HN 0.138 nan 8.290 nan 0.000 0.407 700 A N -0.052 122.218 122.820 -0.917 0.000 1.933 700 A HA -0.223 4.087 4.320 -0.015 0.000 0.218 700 A C 1.991 179.361 177.584 -0.357 0.000 1.175 700 A CA 1.992 53.459 52.037 -0.950 0.000 0.628 700 A CB -0.830 17.672 19.000 -0.830 0.000 0.814 700 A HN 0.603 nan 8.150 nan 0.000 0.444 701 E N -0.363 119.705 120.200 -0.219 0.000 2.077 701 E HA -0.220 4.121 4.350 -0.015 0.000 0.193 701 E C 1.767 178.331 176.600 -0.060 0.000 0.989 701 E CA 1.284 57.621 56.400 -0.105 0.000 0.800 701 E CB -0.100 29.561 29.700 -0.064 0.000 0.746 701 E HN 0.550 nan 8.360 nan 0.000 0.452 702 E N 0.134 120.323 120.200 -0.018 0.000 2.072 702 E HA -0.135 4.206 4.350 -0.015 0.000 0.191 702 E C 1.859 178.470 176.600 0.018 0.000 0.985 702 E CA 1.170 57.581 56.400 0.020 0.000 0.801 702 E CB -0.167 29.598 29.700 0.108 0.000 0.750 702 E HN 0.384 nan 8.360 nan 0.000 0.452 703 A N 0.341 123.169 122.820 0.013 0.000 2.081 703 A HA 0.337 4.647 4.320 -0.015 0.000 0.214 703 A C 1.054 178.642 177.584 0.006 0.000 1.158 703 A CA 1.062 53.123 52.037 0.040 0.000 0.724 703 A CB -0.002 19.073 19.000 0.125 0.000 0.826 703 A HN 0.249 nan 8.150 nan 0.000 0.463 704 G N -0.492 108.286 108.800 -0.037 0.000 3.039 704 G HA2 -0.109 3.842 3.960 -0.015 0.000 0.686 704 G HA3 -0.109 3.842 3.960 -0.015 0.000 0.686 704 G C -0.020 174.854 174.900 -0.043 0.000 1.066 704 G CA 0.005 45.081 45.100 -0.040 0.000 0.774 704 G HN 0.278 nan 8.290 nan 0.000 0.591 705 E N 1.003 121.170 120.200 -0.056 0.000 2.209 705 E HA -0.156 4.185 4.350 -0.015 0.000 0.196 705 E C 2.035 178.624 176.600 -0.019 0.000 0.993 705 E CA 1.708 58.085 56.400 -0.038 0.000 0.819 705 E CB 0.067 29.745 29.700 -0.038 0.000 0.745 705 E HN 0.783 nan 8.360 nan 0.000 0.477 706 E N 0.696 120.873 120.200 -0.038 0.000 2.338 706 E HA -0.093 4.248 4.350 -0.015 0.000 0.197 706 E C 0.942 177.462 176.600 -0.133 0.000 1.007 706 E CA 0.639 56.998 56.400 -0.068 0.000 0.849 706 E CB -0.001 29.670 29.700 -0.049 0.000 0.774 706 E HN 0.147 nan 8.360 nan 0.000 0.506 707 N N -0.314 118.333 118.700 -0.089 0.000 2.251 707 N HA 0.145 4.876 4.740 -0.015 0.000 0.217 707 N C -0.988 174.438 175.510 -0.141 0.000 1.124 707 N CA 0.093 53.060 53.050 -0.138 0.000 0.843 707 N CB 0.370 38.830 38.487 -0.045 0.000 1.024 707 N HN 0.043 nan 8.380 nan 0.000 0.501 708 F N -0.321 119.393 119.950 -0.394 0.000 2.588 708 F HA 0.400 4.917 4.527 -0.016 0.000 0.310 708 F C -0.821 174.734 175.800 -0.408 0.000 1.082 708 F CA -1.152 56.649 58.000 -0.333 0.000 0.929 708 F CB 1.285 40.197 39.000 -0.147 0.000 1.254 708 F HN -0.211 nan 8.300 nan 0.000 0.455 709 F N 5.385 125.315 119.950 -0.033 0.000 2.425 709 F HA 0.424 4.942 4.527 -0.015 0.000 0.354 709 F C -0.097 175.820 175.800 0.194 0.000 1.162 709 F CA -0.421 57.610 58.000 0.052 0.000 1.250 709 F CB -0.150 38.833 39.000 -0.027 0.000 1.579 709 F HN 0.067 nan 8.300 nan 0.000 0.589 710 I N 3.889 124.659 120.570 0.333 0.000 2.365 710 I HA 0.359 4.519 4.170 -0.015 0.000 0.291 710 I C -0.223 176.080 176.117 0.309 0.000 1.004 710 I CA -0.592 60.872 61.300 0.274 0.000 1.311 710 I CB 0.695 38.788 38.000 0.156 0.000 1.401 710 I HN 0.332 nan 8.210 nan 0.000 0.491 711 F N 3.698 123.716 119.950 0.113 0.000 2.643 711 F HA 0.956 5.474 4.527 -0.016 0.000 0.314 711 F C 0.009 175.851 175.800 0.070 0.000 1.096 711 F CA -0.708 57.349 58.000 0.094 0.000 0.953 711 F CB 1.138 40.208 39.000 0.116 0.000 1.345 711 F HN 0.772 nan 8.300 nan 0.000 0.468 712 G N 1.021 109.871 108.800 0.084 0.000 2.655 712 G HA2 -0.033 3.918 3.960 -0.015 0.000 0.680 712 G HA3 -0.033 3.918 3.960 -0.015 0.000 0.680 712 G C -0.994 173.883 174.900 -0.039 0.000 1.302 712 G CA -0.707 44.384 45.100 -0.015 0.000 0.872 712 G HN 0.948 nan 8.290 nan 0.000 0.540 713 M N 0.964 120.552 119.600 -0.020 0.000 2.250 713 M HA 0.201 4.672 4.480 -0.015 0.000 0.337 713 M C 1.247 177.515 176.300 -0.052 0.000 1.161 713 M CA 0.053 55.347 55.300 -0.010 0.000 1.088 713 M CB 0.264 32.867 32.600 0.005 0.000 1.639 713 M HN 0.523 nan 8.290 nan 0.000 0.447 714 R N 1.850 122.333 120.500 -0.029 0.000 2.541 714 R HA 0.245 4.576 4.340 -0.015 0.000 0.263 714 R C 1.254 177.539 176.300 -0.026 0.000 1.112 714 R CA -0.546 55.532 56.100 -0.036 0.000 1.170 714 R CB -0.140 30.146 30.300 -0.024 0.000 1.167 714 R HN 0.576 nan 8.270 nan 0.000 0.582 715 V N 1.419 121.317 119.914 -0.027 0.000 2.282 715 V HA -0.287 3.823 4.120 -0.015 0.000 0.249 715 V C 1.966 178.053 176.094 -0.012 0.000 1.057 715 V CA 2.134 64.422 62.300 -0.020 0.000 1.032 715 V CB -0.512 31.297 31.823 -0.022 0.000 0.645 715 V HN 0.632 nan 8.190 nan 0.000 0.447 716 E N 0.146 120.341 120.200 -0.009 0.000 2.118 716 E HA -0.195 4.146 4.350 -0.015 0.000 0.195 716 E C 1.995 178.601 176.600 0.010 0.000 0.992 716 E CA 1.457 57.857 56.400 -0.001 0.000 0.804 716 E CB -0.353 29.347 29.700 0.000 0.000 0.741 716 E HN 0.634 nan 8.360 nan 0.000 0.458 717 D N -0.170 120.238 120.400 0.014 0.000 2.144 717 D HA -0.104 4.527 4.640 -0.015 0.000 0.200 717 D C 1.957 178.277 176.300 0.033 0.000 0.978 717 D CA 0.881 54.900 54.000 0.031 0.000 0.833 717 D CB 0.019 40.841 40.800 0.036 0.000 0.961 717 D HN 0.077 nan 8.370 nan 0.000 0.470 718 V N 1.838 121.760 119.914 0.013 0.000 2.358 718 V HA -0.204 3.906 4.120 -0.015 0.000 0.246 718 V C 2.006 178.105 176.094 0.009 0.000 1.047 718 V CA 1.580 63.882 62.300 0.003 0.000 1.035 718 V CB -0.411 31.403 31.823 -0.015 0.000 0.658 718 V HN 0.016 nan 8.190 nan 0.000 0.452 719 D N 0.174 120.578 120.400 0.007 0.000 2.106 719 D HA -0.185 4.445 4.640 -0.015 0.000 0.191 719 D C 2.406 178.720 176.300 0.023 0.000 0.997 719 D CA 1.485 55.490 54.000 0.009 0.000 0.834 719 D CB -0.295 40.507 40.800 0.003 0.000 0.956 719 D HN 0.354 nan 8.370 nan 0.000 0.448 720 R N 0.110 120.628 120.500 0.031 0.000 2.091 720 R HA -0.062 4.269 4.340 -0.015 0.000 0.238 720 R C 2.534 178.870 176.300 0.061 0.000 1.136 720 R CA 0.582 56.708 56.100 0.043 0.000 0.959 720 R CB -0.413 29.915 30.300 0.046 0.000 0.856 720 R HN 0.212 nan 8.270 nan 0.000 0.437 721 L N 0.563 121.832 121.223 0.077 0.000 2.093 721 L HA -0.195 4.136 4.340 -0.015 0.000 0.208 721 L C 1.387 178.324 176.870 0.112 0.000 1.085 721 L CA 1.293 56.206 54.840 0.120 0.000 0.755 721 L CB -0.220 41.929 42.059 0.150 0.000 0.904 721 L HN 0.232 nan 8.230 nan 0.000 0.435 722 D N -0.547 119.894 120.400 0.069 0.000 2.117 722 D HA -0.190 4.441 4.640 -0.015 0.000 0.198 722 D C 2.205 178.536 176.300 0.052 0.000 0.982 722 D CA 1.022 55.055 54.000 0.055 0.000 0.828 722 D CB -0.018 40.794 40.800 0.020 0.000 0.967 722 D HN 0.414 nan 8.370 nan 0.000 0.464 723 Q N 0.118 119.944 119.800 0.044 0.000 2.084 723 Q HA -0.103 4.227 4.340 -0.015 0.000 0.202 723 Q C 2.238 178.264 176.000 0.043 0.000 0.978 723 Q CA 1.015 56.840 55.803 0.037 0.000 0.844 723 Q CB 0.021 28.777 28.738 0.030 0.000 0.898 723 Q HN 0.133 nan 8.270 nan 0.000 0.426 724 R N -0.514 120.020 120.500 0.056 0.000 2.119 724 R HA 0.027 4.358 4.340 -0.015 0.000 0.222 724 R C 0.025 176.363 176.300 0.063 0.000 1.088 724 R CA 0.770 56.904 56.100 0.057 0.000 0.984 724 R CB 0.269 30.610 30.300 0.069 0.000 0.884 724 R HN 0.302 nan 8.270 nan 0.000 0.447 725 G N -0.290 108.560 108.800 0.085 0.000 3.209 725 G HA2 -0.270 3.681 3.960 -0.015 0.000 0.686 725 G HA3 -0.270 3.681 3.960 -0.015 0.000 0.686 725 G C -1.372 173.620 174.900 0.152 0.000 1.065 725 G CA -0.505 44.654 45.100 0.098 0.000 0.812 725 G HN 0.256 nan 8.290 nan 0.000 0.573 726 Y N 2.983 123.312 120.300 0.048 0.000 2.436 726 Y HA 0.601 5.142 4.550 -0.015 0.000 0.343 726 Y C 0.271 176.218 175.900 0.079 0.000 1.008 726 Y CA -1.207 56.940 58.100 0.078 0.000 1.241 726 Y CB 1.191 39.679 38.460 0.046 0.000 1.153 726 Y HN 0.642 nan 8.280 nan 0.000 0.521 727 N N 4.788 123.284 118.700 -0.339 0.000 2.558 727 N HA 0.369 5.100 4.740 -0.015 0.000 0.242 727 N C 0.286 175.549 175.510 -0.412 0.000 0.979 727 N CA 0.250 53.097 53.050 -0.338 0.000 0.931 727 N CB 1.187 39.597 38.487 -0.128 0.000 1.122 727 N HN 0.763 nan 8.380 nan 0.000 0.508 728 A N 2.741 125.213 122.820 -0.580 0.000 1.972 728 A HA -0.189 4.122 4.320 -0.015 0.000 0.219 728 A C 1.907 179.616 177.584 0.209 0.000 1.169 728 A CA 1.401 53.320 52.037 -0.197 0.000 0.635 728 A CB -0.500 18.301 19.000 -0.333 0.000 0.810 728 A HN 0.711 nan 8.150 nan 0.000 0.446 729 Q N 0.388 120.202 119.800 0.024 0.000 2.077 729 Q HA -0.258 4.073 4.340 -0.015 0.000 0.206 729 Q C 1.889 177.964 176.000 0.124 0.000 0.989 729 Q CA 2.485 58.325 55.803 0.061 0.000 0.853 729 Q CB -0.433 28.292 28.738 -0.023 0.000 0.907 729 Q HN 0.771 nan 8.270 nan 0.000 0.418 730 E N -1.434 118.780 120.200 0.023 0.000 2.086 730 E HA -0.268 4.073 4.350 -0.015 0.000 0.200 730 E C 1.691 178.231 176.600 -0.100 0.000 1.012 730 E CA 1.730 58.076 56.400 -0.091 0.000 0.812 730 E CB -0.302 29.249 29.700 -0.249 0.000 0.743 730 E HN 0.610 nan 8.360 nan 0.000 0.453 731 Y N -1.178 119.186 120.300 0.107 0.000 2.200 731 Y HA -0.189 4.352 4.550 -0.015 0.000 0.290 731 Y C 2.223 178.120 175.900 -0.004 0.000 1.137 731 Y CA 1.459 59.611 58.100 0.087 0.000 1.163 731 Y CB -0.713 37.855 38.460 0.180 0.000 0.988 731 Y HN 0.233 nan 8.280 nan 0.000 0.518 732 Y N 1.365 121.701 120.300 0.060 0.000 2.165 732 Y HA -0.288 4.253 4.550 -0.015 0.000 0.286 732 Y C 1.832 177.702 175.900 -0.050 0.000 1.155 732 Y CA 1.923 59.985 58.100 -0.064 0.000 1.164 732 Y CB -0.347 38.129 38.460 0.027 0.000 0.978 732 Y HN 0.087 nan 8.280 nan 0.000 0.513 733 D N -0.467 120.020 120.400 0.145 0.000 2.183 733 D HA -0.087 4.544 4.640 -0.015 0.000 0.203 733 D C 1.854 178.129 176.300 -0.042 0.000 0.969 733 D CA 1.160 55.192 54.000 0.053 0.000 0.842 733 D CB -0.089 40.759 40.800 0.080 0.000 0.957 733 D HN 0.483 nan 8.370 nan 0.000 0.484 734 R N -0.258 120.216 120.500 -0.043 0.000 2.308 734 R HA 0.279 4.610 4.340 -0.015 0.000 0.202 734 R C 0.348 176.623 176.300 -0.041 0.000 0.898 734 R CA 0.069 56.143 56.100 -0.043 0.000 1.046 734 R CB 1.148 31.420 30.300 -0.046 0.000 1.026 734 R HN 0.135 nan 8.270 nan 0.000 0.512 735 I N 2.281 122.809 120.570 -0.071 0.000 2.405 735 I HA 0.223 4.383 4.170 -0.015 0.000 0.280 735 I C -1.928 174.095 176.117 -0.156 0.000 1.027 735 I CA -2.336 58.925 61.300 -0.065 0.000 1.161 735 I CB 2.103 40.099 38.000 -0.007 0.000 1.300 735 I HN -0.276 nan 8.210 nan 0.000 0.463 736 P HA -0.146 nan 4.420 nan 0.000 0.216 736 P C 1.181 178.389 177.300 -0.154 0.000 1.150 736 P CA 1.318 64.329 63.100 -0.148 0.000 0.837 736 P CB 0.308 31.953 31.700 -0.091 0.000 0.786 737 E N -0.885 119.260 120.200 -0.091 0.000 2.110 737 E HA -0.165 4.176 4.350 -0.015 0.000 0.193 737 E C 1.879 178.381 176.600 -0.163 0.000 0.988 737 E CA 0.743 57.104 56.400 -0.064 0.000 0.804 737 E CB -0.622 29.111 29.700 0.055 0.000 0.745 737 E HN 0.115 nan 8.360 nan 0.000 0.458 738 L N 1.295 122.335 121.223 -0.305 0.000 2.056 738 L HA -0.139 4.192 4.340 -0.015 0.000 0.207 738 L C 2.370 178.970 176.870 -0.450 0.000 1.078 738 L CA 1.607 56.103 54.840 -0.573 0.000 0.749 738 L CB -0.317 41.250 42.059 -0.819 0.000 0.901 738 L HN -0.077 nan 8.230 nan 0.000 0.433 739 R N -0.913 119.300 120.500 -0.477 0.000 2.080 739 R HA -0.241 4.089 4.340 -0.015 0.000 0.236 739 R C 2.417 178.549 176.300 -0.280 0.000 1.137 739 R CA 2.057 57.796 56.100 -0.601 0.000 0.943 739 R CB -0.404 29.480 30.300 -0.693 0.000 0.846 739 R HN 0.559 nan 8.270 nan 0.000 0.431 740 Q N 0.367 120.040 119.800 -0.212 0.000 2.077 740 Q HA -0.210 4.121 4.340 -0.015 0.000 0.206 740 Q C 2.112 178.058 176.000 -0.091 0.000 0.989 740 Q CA 2.129 57.851 55.803 -0.134 0.000 0.853 740 Q CB -0.127 28.535 28.738 -0.128 0.000 0.907 740 Q HN 0.479 nan 8.270 nan 0.000 0.418 741 I N 0.508 121.023 120.570 -0.092 0.000 2.179 741 I HA -0.296 3.865 4.170 -0.015 0.000 0.242 741 I C 2.178 178.320 176.117 0.041 0.000 1.088 741 I CA 0.680 61.967 61.300 -0.022 0.000 1.357 741 I CB -0.340 37.620 38.000 -0.067 0.000 1.051 741 I HN 0.281 nan 8.210 nan 0.000 0.409 742 I N 0.894 121.486 120.570 0.037 0.000 2.286 742 I HA -0.238 3.923 4.170 -0.015 0.000 0.248 742 I C 2.466 178.686 176.117 0.172 0.000 1.115 742 I CA 1.676 63.068 61.300 0.152 0.000 1.392 742 I CB -1.238 36.936 38.000 0.291 0.000 1.065 742 I HN 0.356 nan 8.210 nan 0.000 0.418 743 E N 0.310 120.590 120.200 0.134 0.000 2.106 743 E HA -0.224 4.117 4.350 -0.015 0.000 0.192 743 E C 2.151 178.816 176.600 0.108 0.000 0.984 743 E CA 0.843 57.315 56.400 0.120 0.000 0.806 743 E CB -0.116 29.627 29.700 0.071 0.000 0.750 743 E HN 0.585 nan 8.360 nan 0.000 0.458 744 Q N 0.533 120.380 119.800 0.078 0.000 2.084 744 Q HA -0.140 4.191 4.340 -0.015 0.000 0.202 744 Q C 2.362 178.545 176.000 0.306 0.000 0.978 744 Q CA 1.045 56.907 55.803 0.098 0.000 0.844 744 Q CB -0.068 28.646 28.738 -0.039 0.000 0.898 744 Q HN 0.300 nan 8.270 nan 0.000 0.426 745 L N -0.083 121.332 121.223 0.320 0.000 2.017 745 L HA -0.196 4.134 4.340 -0.015 0.000 0.208 745 L C 2.495 179.552 176.870 0.311 0.000 1.073 745 L CA 1.020 56.066 54.840 0.344 0.000 0.745 745 L CB -0.453 41.726 42.059 0.199 0.000 0.894 745 L HN 0.152 nan 8.230 nan 0.000 0.432 746 S N -0.074 115.764 115.700 0.230 0.000 2.359 746 S HA -0.188 4.273 4.470 -0.015 0.000 0.224 746 S C 2.102 176.808 174.600 0.177 0.000 1.035 746 S CA 1.721 60.035 58.200 0.191 0.000 1.018 746 S CB -0.329 62.963 63.200 0.154 0.000 0.876 746 S HN 0.618 nan 8.310 nan 0.000 0.448 747 S N 0.455 116.258 115.700 0.172 0.000 2.515 747 S HA 0.255 4.716 4.470 -0.015 0.000 0.231 747 S C 1.426 176.119 174.600 0.155 0.000 0.987 747 S CA 0.835 59.121 58.200 0.144 0.000 0.936 747 S CB -0.230 63.046 63.200 0.127 0.000 0.766 747 S HN 0.926 nan 8.310 nan 0.000 0.528 748 G N 0.470 109.396 108.800 0.210 0.000 2.130 748 G HA2 -0.267 3.684 3.960 -0.015 0.000 0.216 748 G HA3 -0.267 3.684 3.960 -0.015 0.000 0.216 748 G C 0.131 175.128 174.900 0.161 0.000 0.999 748 G CA 0.104 45.319 45.100 0.192 0.000 0.686 748 G HN 0.515 nan 8.290 nan 0.000 0.515 749 F N 0.255 120.207 119.950 0.003 0.000 2.171 749 F HA 0.186 4.704 4.527 -0.015 0.000 0.300 749 F C 1.932 177.533 175.800 -0.332 0.000 1.090 749 F CA 1.989 59.858 58.000 -0.218 0.000 1.293 749 F CB -0.041 38.730 39.000 -0.382 0.000 1.013 749 F HN 0.176 nan 8.300 nan 0.000 0.486 750 F N -0.258 119.826 119.950 0.223 0.000 2.727 750 F HA 0.193 4.711 4.527 -0.015 0.000 0.302 750 F C 0.619 176.520 175.800 0.169 0.000 1.097 750 F CA 0.248 58.326 58.000 0.131 0.000 1.330 750 F CB -0.167 38.913 39.000 0.132 0.000 1.084 750 F HN -0.042 nan 8.300 nan 0.000 0.578 751 S N -1.728 114.127 115.700 0.258 0.000 2.488 751 S HA 0.321 4.781 4.470 -0.015 0.000 0.151 751 S C -2.490 172.138 174.600 0.048 0.000 1.401 751 S CA -1.043 57.242 58.200 0.143 0.000 1.221 751 S CB 1.042 64.306 63.200 0.107 0.000 1.407 751 S HN -0.188 nan 8.310 nan 0.000 0.406 752 P HA -0.013 nan 4.420 nan 0.000 0.218 752 P C 0.959 178.252 177.300 -0.012 0.000 1.149 752 P CA 1.120 64.201 63.100 -0.032 0.000 0.817 752 P CB 0.114 31.770 31.700 -0.073 0.000 0.785 753 K N -1.294 119.100 120.400 -0.009 0.000 2.323 753 K HA 0.076 4.387 4.320 -0.015 0.000 0.197 753 K C 0.687 177.287 176.600 -0.001 0.000 1.043 753 K CA 0.594 56.878 56.287 -0.005 0.000 0.997 753 K CB 0.200 32.697 32.500 -0.006 0.000 0.807 753 K HN 0.229 nan 8.250 nan 0.000 0.497 754 Q N 0.126 119.924 119.800 -0.002 0.000 2.907 754 Q HA 0.165 4.496 4.340 -0.015 0.000 0.262 754 Q C -2.354 173.642 176.000 -0.006 0.000 0.997 754 Q CA -1.725 54.071 55.803 -0.011 0.000 0.797 754 Q CB 1.446 30.167 28.738 -0.028 0.000 1.228 754 Q HN -0.076 nan 8.270 nan 0.000 0.466 755 P HA -0.217 nan 4.420 nan 0.000 0.217 755 P C 0.646 177.986 177.300 0.067 0.000 1.148 755 P CA 1.442 64.573 63.100 0.052 0.000 0.828 755 P CB 0.216 31.945 31.700 0.048 0.000 0.783 756 D N -1.244 119.178 120.400 0.036 0.000 2.388 756 D HA -0.003 4.628 4.640 -0.015 0.000 0.221 756 D C 1.574 177.875 176.300 0.002 0.000 1.133 756 D CA -0.261 53.767 54.000 0.048 0.000 0.831 756 D CB -0.637 40.190 40.800 0.046 0.000 0.962 756 D HN 0.013 nan 8.370 nan 0.000 0.502 757 L N -0.066 121.093 121.223 -0.106 0.000 2.081 757 L HA -0.076 4.255 4.340 -0.015 0.000 0.212 757 L C 1.084 177.724 176.870 -0.383 0.000 1.080 757 L CA 1.678 56.329 54.840 -0.315 0.000 0.754 757 L CB -0.595 41.108 42.059 -0.594 0.000 0.893 757 L HN -0.004 nan 8.230 nan 0.000 0.433 758 F N -0.784 119.227 119.950 0.101 0.000 2.668 758 F HA 0.145 4.663 4.527 -0.015 0.000 0.297 758 F C 1.824 177.681 175.800 0.095 0.000 1.124 758 F CA -0.144 57.907 58.000 0.084 0.000 1.353 758 F CB -0.290 38.749 39.000 0.066 0.000 0.992 758 F HN 0.088 nan 8.300 nan 0.000 0.524 759 K N -0.395 120.123 120.400 0.198 0.000 2.103 759 K HA -0.190 4.121 4.320 -0.015 0.000 0.207 759 K C 0.929 177.632 176.600 0.172 0.000 1.048 759 K CA 2.021 58.408 56.287 0.167 0.000 0.930 759 K CB -0.265 32.307 32.500 0.119 0.000 0.716 759 K HN 0.062 nan 8.250 nan 0.000 0.444 760 D N 1.208 121.718 120.400 0.184 0.000 2.144 760 D HA -0.068 4.563 4.640 -0.015 0.000 0.200 760 D C 2.018 178.429 176.300 0.185 0.000 0.978 760 D CA 1.057 55.173 54.000 0.193 0.000 0.833 760 D CB -0.100 40.849 40.800 0.249 0.000 0.961 760 D HN 0.306 nan 8.370 nan 0.000 0.470 761 I N 0.324 121.009 120.570 0.192 0.000 2.202 761 I HA -0.210 3.951 4.170 -0.015 0.000 0.242 761 I C 2.394 178.583 176.117 0.120 0.000 1.091 761 I CA 0.594 61.981 61.300 0.145 0.000 1.368 761 I CB -0.269 37.813 38.000 0.137 0.000 1.058 761 I HN -0.111 nan 8.210 nan 0.000 0.410 762 V N 1.321 121.322 119.914 0.144 0.000 2.287 762 V HA -0.317 3.794 4.120 -0.015 0.000 0.248 762 V C 2.281 178.423 176.094 0.080 0.000 1.053 762 V CA 2.449 64.822 62.300 0.121 0.000 1.027 762 V CB -1.008 30.902 31.823 0.145 0.000 0.646 762 V HN 0.480 nan 8.190 nan 0.000 0.447 763 N N -0.115 118.665 118.700 0.134 0.000 2.069 763 N HA -0.228 4.503 4.740 -0.015 0.000 0.191 763 N C 1.850 177.465 175.510 0.175 0.000 1.031 763 N CA 1.994 55.165 53.050 0.201 0.000 0.852 763 N CB -0.319 38.312 38.487 0.239 0.000 1.018 763 N HN 0.331 nan 8.380 nan 0.000 0.423 764 M N -0.270 119.425 119.600 0.158 0.000 2.086 764 M HA -0.115 4.356 4.480 -0.015 0.000 0.261 764 M C 1.431 177.740 176.300 0.015 0.000 1.067 764 M CA 1.289 56.678 55.300 0.149 0.000 1.116 764 M CB -0.640 32.046 32.600 0.143 0.000 1.348 764 M HN 0.209 nan 8.290 nan 0.000 0.407 765 L N 0.588 121.769 121.223 -0.070 0.000 2.046 765 L HA -0.210 4.121 4.340 -0.015 0.000 0.208 765 L C 2.456 179.044 176.870 -0.470 0.000 1.077 765 L CA 1.628 56.291 54.840 -0.296 0.000 0.747 765 L CB -1.216 40.699 42.059 -0.240 0.000 0.896 765 L HN 0.339 nan 8.230 nan 0.000 0.432 766 M N -1.782 117.595 119.600 -0.371 0.000 2.200 766 M HA -0.092 4.379 4.480 -0.015 0.000 0.265 766 M C 1.994 177.861 176.300 -0.722 0.000 1.066 766 M CA 1.523 56.478 55.300 -0.574 0.000 1.127 766 M CB -0.873 31.272 32.600 -0.759 0.000 1.379 766 M HN 0.349 nan 8.290 nan 0.000 0.420 767 H N -2.495 116.444 119.070 -0.218 0.000 2.735 767 H HA 0.213 4.760 4.556 -0.015 0.000 0.250 767 H C 0.257 175.228 175.328 -0.596 0.000 0.948 767 H CA 0.569 56.345 56.048 -0.453 0.000 1.137 767 H CB 0.233 29.627 29.762 -0.613 0.000 1.440 767 H HN 0.487 nan 8.280 nan 0.000 0.444 768 H N 0.432 119.563 119.070 0.100 0.000 2.591 768 H HA 0.178 4.725 4.556 -0.015 0.000 0.241 768 H C -0.705 174.647 175.328 0.040 0.000 1.292 768 H CA -0.382 55.710 56.048 0.074 0.000 1.022 768 H CB 0.618 30.424 29.762 0.074 0.000 1.875 768 H HN 0.011 nan 8.280 nan 0.000 0.570 769 D N 1.114 121.570 120.400 0.094 0.000 2.422 769 D HA 0.084 4.715 4.640 -0.015 0.000 0.227 769 D C 0.994 177.246 176.300 -0.079 0.000 1.190 769 D CA -0.192 53.830 54.000 0.037 0.000 0.905 769 D CB 0.516 41.320 40.800 0.008 0.000 1.034 769 D HN 0.328 nan 8.370 nan 0.000 0.507 770 R N 2.227 122.598 120.500 -0.216 0.000 2.237 770 R HA -0.065 4.266 4.340 -0.015 0.000 0.219 770 R C 0.573 176.394 176.300 -0.797 0.000 1.080 770 R CA 0.923 56.674 56.100 -0.582 0.000 0.995 770 R CB 0.119 29.861 30.300 -0.929 0.000 0.875 770 R HN 0.418 nan 8.270 nan 0.000 0.462 771 F N -0.059 119.844 119.950 -0.078 0.000 2.688 771 F HA 0.275 4.793 4.527 -0.015 0.000 0.310 771 F C 0.052 175.727 175.800 -0.207 0.000 1.098 771 F CA -0.639 57.305 58.000 -0.093 0.000 1.228 771 F CB 0.367 39.379 39.000 0.019 0.000 1.042 771 F HN -0.254 nan 8.300 nan 0.000 0.557 772 K N -0.391 119.819 120.400 -0.317 0.000 3.150 772 K HA -0.175 4.136 4.320 -0.015 0.000 0.267 772 K C 0.961 177.442 176.600 -0.199 0.000 1.028 772 K CA 0.247 56.152 56.287 -0.637 0.000 0.753 772 K CB -2.004 30.058 32.500 -0.731 0.000 1.288 772 K HN 0.207 nan 8.250 nan 0.000 0.473 773 V N -0.004 119.878 119.914 -0.053 0.000 2.278 773 V HA -0.317 3.794 4.120 -0.015 0.000 0.251 773 V C 1.979 178.222 176.094 0.249 0.000 1.062 773 V CA 2.474 64.828 62.300 0.089 0.000 1.038 773 V CB -0.544 31.337 31.823 0.097 0.000 0.646 773 V HN 0.484 nan 8.190 nan 0.000 0.447 774 F N 0.159 120.118 119.950 0.014 0.000 2.171 774 F HA -0.168 4.349 4.527 -0.015 0.000 0.300 774 F C 2.547 178.149 175.800 -0.331 0.000 1.090 774 F CA 0.630 58.580 58.000 -0.083 0.000 1.293 774 F CB -0.411 38.546 39.000 -0.073 0.000 1.013 774 F HN 0.199 nan 8.300 nan 0.000 0.486 775 A N -0.446 122.222 122.820 -0.254 0.000 2.024 775 A HA -0.209 4.102 4.320 -0.015 0.000 0.220 775 A C 1.436 179.028 177.584 0.013 0.000 1.164 775 A CA 1.960 53.781 52.037 -0.360 0.000 0.643 775 A CB -0.478 18.452 19.000 -0.117 0.000 0.806 775 A HN 0.244 nan 8.150 nan 0.000 0.451 776 D N -2.938 117.527 120.400 0.108 0.000 2.369 776 D HA 0.096 4.727 4.640 -0.015 0.000 0.211 776 D C 1.151 177.622 176.300 0.285 0.000 1.077 776 D CA -0.035 54.101 54.000 0.226 0.000 0.842 776 D CB -0.109 40.837 40.800 0.243 0.000 0.947 776 D HN 0.604 nan 8.370 nan 0.000 0.509 777 Y N 1.960 122.348 120.300 0.146 0.000 2.114 777 Y HA -0.192 4.350 4.550 -0.015 0.000 0.284 777 Y C 2.102 178.087 175.900 0.141 0.000 1.143 777 Y CA 1.832 60.025 58.100 0.155 0.000 1.135 777 Y CB 0.190 38.705 38.460 0.092 0.000 0.980 777 Y HN -0.121 nan 8.280 nan 0.000 0.499 778 E N 0.097 120.349 120.200 0.087 0.000 2.023 778 E HA -0.261 4.080 4.350 -0.015 0.000 0.196 778 E C 2.204 178.769 176.600 -0.059 0.000 1.003 778 E CA 1.650 58.034 56.400 -0.025 0.000 0.809 778 E CB -0.207 29.583 29.700 0.149 0.000 0.755 778 E HN 0.617 nan 8.360 nan 0.000 0.449 779 E N -0.301 119.943 120.200 0.073 0.000 2.118 779 E HA -0.221 4.120 4.350 -0.015 0.000 0.195 779 E C 1.941 178.529 176.600 -0.021 0.000 0.992 779 E CA 0.924 57.387 56.400 0.104 0.000 0.804 779 E CB -0.149 29.707 29.700 0.260 0.000 0.741 779 E HN 0.271 nan 8.360 nan 0.000 0.458 780 Y N 1.110 121.217 120.300 -0.322 0.000 2.114 780 Y HA -0.224 4.316 4.550 -0.015 0.000 0.284 780 Y C 2.158 177.678 175.900 -0.633 0.000 1.143 780 Y CA 1.044 58.644 58.100 -0.834 0.000 1.135 780 Y CB -0.572 37.439 38.460 -0.749 0.000 0.980 780 Y HN -0.202 nan 8.280 nan 0.000 0.499 781 V N 0.506 120.056 119.914 -0.607 0.000 2.287 781 V HA -0.325 3.786 4.120 -0.015 0.000 0.248 781 V C 2.383 178.248 176.094 -0.381 0.000 1.053 781 V CA 2.347 64.317 62.300 -0.550 0.000 1.027 781 V CB -0.707 30.808 31.823 -0.513 0.000 0.646 781 V HN 0.233 nan 8.190 nan 0.000 0.447 782 K N -0.499 119.740 120.400 -0.269 0.000 2.020 782 K HA -0.231 4.080 4.320 -0.015 0.000 0.212 782 K C 2.287 178.791 176.600 -0.160 0.000 1.050 782 K CA 2.109 58.303 56.287 -0.155 0.000 0.929 782 K CB -0.932 31.525 32.500 -0.071 0.000 0.714 782 K HN 0.556 nan 8.250 nan 0.000 0.443 783 C N 0.845 120.027 119.300 -0.197 0.000 2.425 783 C HA -0.066 4.385 4.460 -0.015 0.000 0.277 783 C C 2.467 177.279 174.990 -0.297 0.000 1.280 783 C CA 0.670 59.600 59.018 -0.147 0.000 1.744 783 C CB -0.779 26.912 27.740 -0.082 0.000 1.989 783 C HN 0.468 nan 8.230 nan 0.000 0.491 784 Q N 0.486 119.978 119.800 -0.513 0.000 2.170 784 Q HA -0.166 4.165 4.340 -0.015 0.000 0.203 784 Q C 1.984 177.790 176.000 -0.324 0.000 0.976 784 Q CA 1.611 57.066 55.803 -0.579 0.000 0.858 784 Q CB -0.352 27.798 28.738 -0.980 0.000 0.907 784 Q HN 0.767 nan 8.270 nan 0.000 0.433 785 E N 0.125 120.192 120.200 -0.221 0.000 2.106 785 E HA -0.123 4.218 4.350 -0.015 0.000 0.192 785 E C 2.077 178.632 176.600 -0.075 0.000 0.984 785 E CA 0.500 56.829 56.400 -0.117 0.000 0.806 785 E CB -0.010 29.641 29.700 -0.082 0.000 0.750 785 E HN 0.263 nan 8.360 nan 0.000 0.458 786 R N 0.539 120.999 120.500 -0.067 0.000 2.092 786 R HA -0.089 4.241 4.340 -0.015 0.000 0.231 786 R C 2.445 178.741 176.300 -0.006 0.000 1.119 786 R CA 0.947 57.067 56.100 0.034 0.000 0.970 786 R CB -0.423 29.962 30.300 0.142 0.000 0.864 786 R HN 0.058 nan 8.270 nan 0.000 0.440 787 V N 0.751 120.470 119.914 -0.325 0.000 2.255 787 V HA -0.279 3.832 4.120 -0.015 0.000 0.247 787 V C 2.263 178.342 176.094 -0.024 0.000 1.051 787 V CA 2.071 64.096 62.300 -0.458 0.000 1.018 787 V CB -0.458 30.992 31.823 -0.622 0.000 0.641 787 V HN 0.296 nan 8.190 nan 0.000 0.445 788 S N -0.196 115.459 115.700 -0.075 0.000 2.370 788 S HA -0.195 4.266 4.470 -0.015 0.000 0.226 788 S C 2.207 176.862 174.600 0.091 0.000 1.033 788 S CA 1.459 59.648 58.200 -0.018 0.000 1.011 788 S CB -0.534 62.630 63.200 -0.061 0.000 0.852 788 S HN 0.663 nan 8.310 nan 0.000 0.457 789 A N 1.478 124.355 122.820 0.094 0.000 1.883 789 A HA -0.054 4.257 4.320 -0.015 0.000 0.217 789 A C 2.118 179.816 177.584 0.191 0.000 1.186 789 A CA 1.243 53.358 52.037 0.129 0.000 0.624 789 A CB -0.836 18.229 19.000 0.109 0.000 0.822 789 A HN 0.461 nan 8.150 nan 0.000 0.444 790 L N -2.022 119.370 121.223 0.283 0.000 2.083 790 L HA -0.182 4.148 4.340 -0.015 0.000 0.209 790 L C 2.493 179.638 176.870 0.459 0.000 1.083 790 L CA 2.016 57.102 54.840 0.410 0.000 0.752 790 L CB -0.460 41.954 42.059 0.593 0.000 0.899 790 L HN 0.621 nan 8.230 nan 0.000 0.433 791 Y N 0.864 121.296 120.300 0.220 0.000 2.352 791 Y HA -0.253 4.289 4.550 -0.014 0.000 0.292 791 Y C 2.426 178.262 175.900 -0.108 0.000 1.136 791 Y CA 1.497 59.471 58.100 -0.211 0.000 1.227 791 Y CB -0.034 38.068 38.460 -0.598 0.000 0.991 791 Y HN 0.073 nan 8.280 nan 0.000 0.545 792 K N -0.080 120.374 120.400 0.091 0.000 2.280 792 K HA -0.157 4.154 4.320 -0.015 0.000 0.202 792 K C 0.394 176.986 176.600 -0.013 0.000 1.047 792 K CA 0.898 57.218 56.287 0.055 0.000 0.942 792 K CB -0.103 32.467 32.500 0.115 0.000 0.739 792 K HN 0.055 nan 8.250 nan 0.000 0.457 793 N N 0.326 119.033 118.700 0.011 0.000 2.936 793 N HA 0.133 4.864 4.740 -0.015 0.000 0.243 793 N C -2.432 173.083 175.510 0.008 0.000 1.149 793 N CA -2.158 50.903 53.050 0.017 0.000 0.914 793 N CB 1.196 39.724 38.487 0.068 0.000 1.179 793 N HN -0.189 nan 8.380 nan 0.000 0.502 794 P HA -0.173 nan 4.420 nan 0.000 0.216 794 P C 1.341 178.653 177.300 0.021 0.000 1.154 794 P CA 1.166 64.196 63.100 -0.116 0.000 0.865 794 P CB 0.382 31.991 31.700 -0.151 0.000 0.789 795 R N -0.136 120.378 120.500 0.023 0.000 2.092 795 R HA -0.119 4.212 4.340 -0.015 0.000 0.231 795 R C 1.877 178.223 176.300 0.075 0.000 1.119 795 R CA 1.230 57.355 56.100 0.042 0.000 0.970 795 R CB -0.254 30.061 30.300 0.025 0.000 0.864 795 R HN 0.082 nan 8.270 nan 0.000 0.440 796 E N -0.136 120.121 120.200 0.094 0.000 2.170 796 E HA -0.187 4.154 4.350 -0.015 0.000 0.191 796 E C 1.554 178.239 176.600 0.142 0.000 0.981 796 E CA 0.457 56.917 56.400 0.101 0.000 0.830 796 E CB -0.338 29.419 29.700 0.095 0.000 0.775 796 E HN 0.482 nan 8.360 nan 0.000 0.470 797 W N 2.182 123.487 121.300 0.007 0.000 2.333 797 W HA -0.195 4.455 4.660 -0.016 0.000 0.316 797 W C 1.622 178.154 176.519 0.021 0.000 1.215 797 W CA 2.095 59.459 57.345 0.032 0.000 1.278 797 W CB -0.382 29.066 29.460 -0.020 0.000 1.154 797 W HN 0.025 nan 8.180 nan 0.000 0.486 798 T N 1.056 115.747 114.554 0.229 0.000 2.821 798 T HA -0.161 4.180 4.350 -0.015 0.000 0.267 798 T C 1.848 176.567 174.700 0.032 0.000 1.046 798 T CA 1.636 63.807 62.100 0.119 0.000 1.139 798 T CB -0.269 68.653 68.868 0.090 0.000 0.871 798 T HN 0.171 nan 8.240 nan 0.000 0.454 799 R N 0.420 120.944 120.500 0.039 0.000 2.092 799 R HA 0.102 4.433 4.340 -0.015 0.000 0.231 799 R C 2.517 178.812 176.300 -0.008 0.000 1.119 799 R CA 1.174 57.294 56.100 0.033 0.000 0.970 799 R CB -0.333 29.991 30.300 0.041 0.000 0.864 799 R HN 0.356 nan 8.270 nan 0.000 0.440 800 M N 0.533 120.093 119.600 -0.067 0.000 2.117 800 M HA -0.158 4.312 4.480 -0.015 0.000 0.262 800 M C 1.984 178.195 176.300 -0.147 0.000 1.065 800 M CA 1.432 56.652 55.300 -0.134 0.000 1.114 800 M CB 0.104 32.565 32.600 -0.230 0.000 1.361 800 M HN -0.008 nan 8.290 nan 0.000 0.408 801 V N 1.003 120.809 119.914 -0.181 0.000 2.252 801 V HA -0.341 3.770 4.120 -0.015 0.000 0.249 801 V C 2.213 178.295 176.094 -0.021 0.000 1.056 801 V CA 2.266 64.495 62.300 -0.119 0.000 1.022 801 V CB -0.652 31.125 31.823 -0.076 0.000 0.641 801 V HN 0.515 nan 8.190 nan 0.000 0.445 802 I N -0.654 119.928 120.570 0.020 0.000 2.264 802 I HA -0.275 3.885 4.170 -0.015 0.000 0.248 802 I C 2.695 178.864 176.117 0.086 0.000 1.111 802 I CA 1.627 62.988 61.300 0.102 0.000 1.382 802 I CB -0.424 37.692 38.000 0.194 0.000 1.060 802 I HN 0.219 nan 8.210 nan 0.000 0.418 803 R N 0.423 120.950 120.500 0.046 0.000 2.120 803 R HA -0.136 4.195 4.340 -0.015 0.000 0.234 803 R C 2.067 178.397 176.300 0.050 0.000 1.123 803 R CA 1.365 57.488 56.100 0.038 0.000 0.975 803 R CB -0.463 29.843 30.300 0.011 0.000 0.866 803 R HN 0.540 nan 8.270 nan 0.000 0.446 804 N N 0.657 119.382 118.700 0.041 0.000 2.092 804 N HA -0.099 4.632 4.740 -0.015 0.000 0.189 804 N C 1.993 177.559 175.510 0.095 0.000 1.040 804 N CA 1.170 54.267 53.050 0.079 0.000 0.845 804 N CB -0.100 38.412 38.487 0.041 0.000 1.017 804 N HN 0.107 nan 8.380 nan 0.000 0.426 805 I N 1.671 122.286 120.570 0.075 0.000 2.194 805 I HA -0.283 3.878 4.170 -0.015 0.000 0.246 805 I C 2.411 178.574 176.117 0.076 0.000 1.093 805 I CA 1.136 62.483 61.300 0.079 0.000 1.355 805 I CB -0.299 37.744 38.000 0.070 0.000 1.046 805 I HN 0.135 nan 8.210 nan 0.000 0.413 806 A N 0.115 122.978 122.820 0.073 0.000 2.066 806 A HA -0.127 4.184 4.320 -0.015 0.000 0.218 806 A C 2.120 179.735 177.584 0.052 0.000 1.157 806 A CA 1.831 53.899 52.037 0.053 0.000 0.670 806 A CB -0.758 18.276 19.000 0.056 0.000 0.804 806 A HN 0.529 nan 8.150 nan 0.000 0.453 807 T N -2.698 111.902 114.554 0.077 0.000 3.134 807 T HA 0.128 4.469 4.350 -0.015 0.000 0.260 807 T C 1.279 176.066 174.700 0.145 0.000 1.027 807 T CA 0.696 62.845 62.100 0.083 0.000 0.913 807 T CB -0.211 68.704 68.868 0.079 0.000 1.046 807 T HN 0.486 nan 8.240 nan 0.000 0.553 808 S N 0.374 116.177 115.700 0.172 0.000 2.603 808 S HA 0.223 4.684 4.470 -0.015 0.000 0.220 808 S C 2.187 176.918 174.600 0.218 0.000 0.967 808 S CA 0.272 58.646 58.200 0.290 0.000 0.920 808 S CB -0.732 62.606 63.200 0.231 0.000 0.773 808 S HN 0.531 nan 8.310 nan 0.000 0.529 809 G N 2.660 111.508 108.800 0.081 0.000 2.469 809 G HA2 -0.282 3.669 3.960 -0.015 0.000 0.220 809 G HA3 -0.282 3.669 3.960 -0.015 0.000 0.220 809 G C 1.324 176.177 174.900 -0.079 0.000 1.136 809 G CA 1.001 46.113 45.100 0.021 0.000 0.759 809 G HN 0.633 nan 8.290 nan 0.000 0.562 810 K N -0.122 120.110 120.400 -0.281 0.000 2.280 810 K HA -0.009 4.302 4.320 -0.015 0.000 0.202 810 K C 1.127 177.410 176.600 -0.528 0.000 1.047 810 K CA 0.675 56.653 56.287 -0.515 0.000 0.942 810 K CB -0.268 31.747 32.500 -0.808 0.000 0.739 810 K HN 0.401 nan 8.250 nan 0.000 0.457 811 F N 1.020 120.996 119.950 0.043 0.000 2.664 811 F HA 0.144 4.661 4.527 -0.016 0.000 0.301 811 F C 0.690 176.532 175.800 0.069 0.000 1.126 811 F CA -0.651 57.381 58.000 0.054 0.000 1.373 811 F CB 0.504 39.531 39.000 0.046 0.000 1.042 811 F HN -0.106 nan 8.300 nan 0.000 0.535 812 S N 0.325 116.109 115.700 0.141 0.000 2.523 812 S HA 0.083 4.544 4.470 -0.015 0.000 0.275 812 S C 1.437 176.117 174.600 0.133 0.000 1.281 812 S CA -0.219 58.058 58.200 0.128 0.000 1.050 812 S CB 0.879 64.124 63.200 0.076 0.000 0.937 812 S HN 0.351 nan 8.310 nan 0.000 0.492 813 S N 3.408 119.212 115.700 0.173 0.000 2.469 813 S HA -0.104 4.357 4.470 -0.015 0.000 0.238 813 S C 0.987 175.643 174.600 0.093 0.000 0.998 813 S CA 0.888 59.211 58.200 0.206 0.000 0.957 813 S CB -0.415 62.980 63.200 0.325 0.000 0.764 813 S HN 0.801 nan 8.310 nan 0.000 0.514 814 D N 1.888 122.325 120.400 0.063 0.000 2.117 814 D HA -0.098 4.533 4.640 -0.015 0.000 0.197 814 D C 2.112 178.417 176.300 0.007 0.000 0.987 814 D CA 0.879 54.894 54.000 0.024 0.000 0.829 814 D CB -0.357 40.454 40.800 0.018 0.000 0.961 814 D HN 0.297 nan 8.370 nan 0.000 0.460 815 R N 0.798 121.304 120.500 0.011 0.000 2.070 815 R HA -0.100 4.231 4.340 -0.015 0.000 0.233 815 R C 1.963 178.255 176.300 -0.013 0.000 1.137 815 R CA 1.583 57.675 56.100 -0.013 0.000 0.945 815 R CB -0.890 29.389 30.300 -0.035 0.000 0.845 815 R HN 0.136 nan 8.270 nan 0.000 0.430 816 T N 2.213 116.784 114.554 0.028 0.000 2.665 816 T HA -0.153 4.188 4.350 -0.015 0.000 0.268 816 T C 1.921 176.630 174.700 0.015 0.000 1.035 816 T CA 1.507 63.645 62.100 0.063 0.000 1.151 816 T CB -0.138 68.854 68.868 0.207 0.000 0.862 816 T HN 0.126 nan 8.240 nan 0.000 0.438 817 I N 1.489 121.996 120.570 -0.104 0.000 2.315 817 I HA -0.035 4.126 4.170 -0.015 0.000 0.248 817 I C 2.909 178.978 176.117 -0.079 0.000 1.117 817 I CA 0.843 62.036 61.300 -0.179 0.000 1.404 817 I CB -1.579 36.302 38.000 -0.199 0.000 1.071 817 I HN 0.204 nan 8.210 nan 0.000 0.419 818 A N 0.120 122.913 122.820 -0.045 0.000 1.972 818 A HA -0.229 4.082 4.320 -0.015 0.000 0.219 818 A C 2.245 179.783 177.584 -0.076 0.000 1.169 818 A CA 1.366 53.383 52.037 -0.034 0.000 0.635 818 A CB -0.496 18.491 19.000 -0.021 0.000 0.810 818 A HN 0.493 nan 8.150 nan 0.000 0.446 819 Q N -1.832 117.903 119.800 -0.108 0.000 2.083 819 Q HA -0.149 4.182 4.340 -0.015 0.000 0.198 819 Q C 1.892 177.715 176.000 -0.296 0.000 0.969 819 Q CA 1.596 57.294 55.803 -0.175 0.000 0.838 819 Q CB -0.303 28.325 28.738 -0.185 0.000 0.900 819 Q HN 0.811 nan 8.270 nan 0.000 0.436 820 Y N 0.549 120.561 120.300 -0.481 0.000 2.128 820 Y HA -0.310 4.230 4.550 -0.016 0.000 0.284 820 Y C 2.469 177.794 175.900 -0.958 0.000 1.154 820 Y CA 1.350 58.902 58.100 -0.912 0.000 1.149 820 Y CB -0.509 37.098 38.460 -1.422 0.000 0.976 820 Y HN 0.167 nan 8.280 nan 0.000 0.505 821 A N 0.188 122.780 122.820 -0.381 0.000 1.883 821 A HA -0.244 4.067 4.320 -0.015 0.000 0.217 821 A C 2.230 179.824 177.584 0.016 0.000 1.186 821 A CA 2.183 54.242 52.037 0.037 0.000 0.624 821 A CB -0.578 18.515 19.000 0.155 0.000 0.822 821 A HN 0.452 nan 8.150 nan 0.000 0.444 822 R N -0.900 119.567 120.500 -0.054 0.000 2.100 822 R HA 0.004 4.334 4.340 -0.015 0.000 0.220 822 R C 1.781 178.055 176.300 -0.043 0.000 1.091 822 R CA 1.425 57.508 56.100 -0.028 0.000 0.986 822 R CB -0.124 30.156 30.300 -0.034 0.000 0.888 822 R HN 0.647 nan 8.270 nan 0.000 0.444 823 E N -0.585 119.548 120.200 -0.111 0.000 2.460 823 E HA 0.113 4.454 4.350 -0.015 0.000 0.200 823 E C 1.322 177.877 176.600 -0.075 0.000 1.011 823 E CA 0.344 56.687 56.400 -0.094 0.000 0.912 823 E CB 0.609 30.228 29.700 -0.135 0.000 0.953 823 E HN 0.282 nan 8.360 nan 0.000 0.494 824 I N -1.099 119.393 120.570 -0.131 0.000 3.570 824 I HA 0.028 4.188 4.170 -0.015 0.000 0.270 824 I C 1.328 177.591 176.117 0.242 0.000 1.162 824 I CA -0.039 61.248 61.300 -0.022 0.000 1.413 824 I CB 0.213 38.052 38.000 -0.269 0.000 1.437 824 I HN 0.118 nan 8.210 nan 0.000 0.457 825 W N 1.467 122.862 121.300 0.158 0.000 2.576 825 W HA 0.319 4.970 4.660 -0.015 0.000 0.270 825 W C 1.489 178.045 176.519 0.063 0.000 1.255 825 W CA 0.845 58.264 57.345 0.124 0.000 1.314 825 W CB -1.084 28.437 29.460 0.103 0.000 1.101 825 W HN 0.321 nan 8.180 nan 0.000 0.595 826 G N 1.157 110.096 108.800 0.231 0.000 2.256 826 G HA2 -0.106 3.845 3.960 -0.015 0.000 0.272 826 G HA3 -0.106 3.845 3.960 -0.015 0.000 0.272 826 G C -0.328 174.645 174.900 0.122 0.000 1.076 826 G CA 0.221 45.398 45.100 0.129 0.000 0.882 826 G HN 0.379 nan 8.290 nan 0.000 0.497 827 V N -4.179 115.827 119.914 0.153 0.000 2.962 827 V HA 0.891 5.002 4.120 -0.015 0.000 0.313 827 V C -0.280 175.874 176.094 0.100 0.000 1.099 827 V CA -1.726 60.647 62.300 0.120 0.000 0.971 827 V CB 2.335 34.239 31.823 0.134 0.000 1.028 827 V HN 0.123 nan 8.190 nan 0.000 0.430 828 E N 3.957 124.200 120.200 0.070 0.000 2.115 828 E HA 0.476 4.817 4.350 -0.015 0.000 0.282 828 E C -2.445 174.191 176.600 0.060 0.000 0.987 828 E CA -1.714 54.720 56.400 0.057 0.000 0.797 828 E CB 1.684 31.410 29.700 0.043 0.000 1.086 828 E HN 0.727 nan 8.360 nan 0.000 0.397 829 P HA 0.061 nan 4.420 nan 0.000 0.269 829 P C -0.468 176.859 177.300 0.046 0.000 1.215 829 P CA -0.243 62.891 63.100 0.055 0.000 0.780 829 P CB 0.900 32.628 31.700 0.047 0.000 0.898 830 S N 0.895 116.624 115.700 0.047 0.000 2.548 830 S HA 0.337 4.798 4.470 -0.015 0.000 0.276 830 S C 0.410 175.032 174.600 0.038 0.000 1.129 830 S CA -0.776 57.450 58.200 0.043 0.000 0.931 830 S CB 1.127 64.359 63.200 0.052 0.000 1.068 830 S HN 0.279 nan 8.310 nan 0.000 0.480 831 R N 2.158 122.676 120.500 0.030 0.000 2.334 831 R HA 0.193 4.523 4.340 -0.015 0.000 0.216 831 R C -0.076 176.233 176.300 0.015 0.000 0.905 831 R CA 0.058 56.174 56.100 0.026 0.000 1.064 831 R CB 0.081 30.398 30.300 0.028 0.000 1.046 831 R HN 0.682 nan 8.270 nan 0.000 0.508 832 Q N 1.146 120.955 119.800 0.014 0.000 2.289 832 Q HA 0.082 4.413 4.340 -0.015 0.000 0.273 832 Q C -0.303 175.687 176.000 -0.016 0.000 1.029 832 Q CA 0.159 55.963 55.803 0.002 0.000 0.896 832 Q CB 0.745 29.489 28.738 0.009 0.000 1.182 832 Q HN -0.205 nan 8.270 nan 0.000 0.385 833 R N 1.701 122.183 120.500 -0.029 0.000 2.623 833 R HA 0.128 4.459 4.340 -0.015 0.000 0.271 833 R C -0.411 175.846 176.300 -0.072 0.000 1.043 833 R CA 0.168 56.237 56.100 -0.051 0.000 1.083 833 R CB 0.274 30.543 30.300 -0.052 0.000 0.974 833 R HN 0.508 nan 8.270 nan 0.000 0.436 834 L N 5.464 126.626 121.223 -0.102 0.000 2.375 834 L HA 0.365 4.696 4.340 -0.015 0.000 0.271 834 L C -1.688 175.121 176.870 -0.101 0.000 1.107 834 L CA -2.080 52.671 54.840 -0.148 0.000 0.806 834 L CB 1.018 42.950 42.059 -0.210 0.000 1.146 834 L HN 0.461 nan 8.230 nan 0.000 0.447 835 P HA 0.050 nan 4.420 nan 0.000 0.265 835 P C -0.597 176.674 177.300 -0.049 0.000 1.193 835 P CA -0.198 62.867 63.100 -0.057 0.000 0.765 835 P CB 0.762 32.435 31.700 -0.045 0.000 0.823 836 A N 0.000 122.799 122.820 -0.035 0.000 2.254 836 A HA 0.000 4.311 4.320 -0.015 0.000 0.244 836 A CA 0.000 52.023 52.037 -0.024 0.000 0.836 836 A CB 0.000 18.987 19.000 -0.021 0.000 0.831 836 A HN 0.000 nan 8.150 nan 0.000 0.486