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 2f3u_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 FNLXXXXXXG 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 EASGTGNMKF 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 0.000 175.982 176.000 -0.029 0.000 1.003 12 Q CA 0.000 55.773 55.803 -0.050 0.000 1.022 12 Q CB 0.000 28.704 28.738 -0.056 0.000 1.108 13 I N -0.452 120.106 120.570 -0.019 0.000 2.607 13 I HA 0.561 4.725 4.170 -0.010 0.000 0.305 13 I C 1.032 177.149 176.117 0.000 0.000 0.995 13 I CA -0.205 61.092 61.300 -0.006 0.000 1.148 13 I CB 1.887 39.888 38.000 0.003 0.000 1.323 13 I HN 0.306 nan 8.210 nan 0.000 0.461 14 S N 3.286 118.991 115.700 0.009 0.000 2.365 14 S HA -0.198 4.266 4.470 -0.010 0.000 0.221 14 S C 1.843 176.454 174.600 0.017 0.000 1.037 14 S CA 2.460 60.668 58.200 0.013 0.000 1.060 14 S CB -0.704 62.510 63.200 0.023 0.000 0.974 14 S HN 0.854 nan 8.310 nan 0.000 0.427 15 V N 0.402 120.336 119.914 0.032 0.000 2.944 15 V HA -0.045 4.069 4.120 -0.010 0.000 0.265 15 V C 1.928 178.037 176.094 0.025 0.000 1.125 15 V CA 1.861 64.184 62.300 0.037 0.000 1.145 15 V CB -1.157 30.697 31.823 0.052 0.000 0.725 15 V HN 0.419 nan 8.190 nan 0.000 0.510 16 R N 1.187 121.693 120.500 0.010 0.000 2.320 16 R HA 0.423 4.757 4.340 -0.010 0.000 0.211 16 R C 1.156 177.446 176.300 -0.017 0.000 0.931 16 R CA 0.544 56.642 56.100 -0.003 0.000 1.071 16 R CB -0.064 30.231 30.300 -0.009 0.000 1.025 16 R HN 0.800 nan 8.270 nan 0.000 0.495 17 G N 0.719 109.508 108.800 -0.017 0.000 2.757 17 G HA2 -0.220 3.734 3.960 -0.010 0.000 0.638 17 G HA3 -0.220 3.734 3.960 -0.010 0.000 0.638 17 G C -0.821 174.061 174.900 -0.029 0.000 1.344 17 G CA -1.058 44.022 45.100 -0.032 0.000 0.855 17 G HN -0.013 nan 8.290 nan 0.000 0.537 18 L N 0.205 121.408 121.223 -0.034 0.000 2.357 18 L HA 0.683 5.016 4.340 -0.010 0.000 0.273 18 L C 1.202 178.055 176.870 -0.029 0.000 1.080 18 L CA 0.300 55.123 54.840 -0.028 0.000 0.803 18 L CB 1.063 43.106 42.059 -0.026 0.000 1.174 18 L HN 1.546 nan 8.230 nan 0.000 0.443 19 A N 2.067 124.873 122.820 -0.022 0.000 3.158 19 A HA 0.566 4.880 4.320 -0.010 0.000 0.319 19 A C 0.754 178.331 177.584 -0.011 0.000 1.204 19 A CA -0.333 51.693 52.037 -0.019 0.000 0.992 19 A CB -0.399 18.590 19.000 -0.019 0.000 1.110 19 A HN 0.809 nan 8.150 nan 0.000 0.519 20 G N -0.373 108.420 108.800 -0.012 0.000 2.559 20 G HA2 0.315 4.268 3.960 -0.010 0.000 0.235 20 G HA3 0.315 4.268 3.960 -0.010 0.000 0.235 20 G C 1.038 175.939 174.900 0.002 0.000 1.266 20 G CA 0.078 45.175 45.100 -0.005 0.000 0.847 20 G HN 0.416 nan 8.290 nan 0.000 0.583 21 V N 1.525 121.442 119.914 0.005 0.000 2.261 21 V HA -0.167 3.947 4.120 -0.010 0.000 0.246 21 V C 2.722 178.825 176.094 0.014 0.000 1.047 21 V CA 2.433 64.739 62.300 0.010 0.000 1.015 21 V CB -0.700 31.128 31.823 0.009 0.000 0.642 21 V HN 0.768 nan 8.190 nan 0.000 0.446 22 E N 0.434 120.643 120.200 0.015 0.000 2.051 22 E HA -0.179 4.165 4.350 -0.010 0.000 0.192 22 E C 2.092 178.710 176.600 0.031 0.000 0.991 22 E CA 1.558 57.971 56.400 0.022 0.000 0.799 22 E CB -0.333 29.379 29.700 0.020 0.000 0.748 22 E HN 0.593 nan 8.360 nan 0.000 0.449 23 N N -0.788 117.927 118.700 0.026 0.000 2.120 23 N HA -0.122 4.612 4.740 -0.010 0.000 0.188 23 N C 1.580 177.112 175.510 0.038 0.000 1.024 23 N CA 0.969 54.038 53.050 0.033 0.000 0.852 23 N CB -0.061 38.429 38.487 0.005 0.000 1.003 23 N HN -0.019 nan 8.380 nan 0.000 0.424 24 V N 0.058 119.986 119.914 0.024 0.000 2.407 24 V HA -0.201 3.913 4.120 -0.010 0.000 0.248 24 V C 1.978 178.092 176.094 0.034 0.000 1.055 24 V CA 1.752 64.066 62.300 0.024 0.000 1.049 24 V CB -0.813 31.019 31.823 0.016 0.000 0.662 24 V HN 0.397 nan 8.190 nan 0.000 0.455 25 T N -0.596 113.979 114.554 0.034 0.000 2.777 25 T HA -0.185 4.159 4.350 -0.010 0.000 0.266 25 T C 1.925 176.659 174.700 0.057 0.000 1.040 25 T CA 1.664 63.786 62.100 0.037 0.000 1.141 25 T CB -0.144 68.742 68.868 0.030 0.000 0.868 25 T HN 0.471 nan 8.240 nan 0.000 0.444 26 E N 1.163 121.404 120.200 0.068 0.000 2.051 26 E HA -0.028 4.316 4.350 -0.010 0.000 0.192 26 E C 2.051 178.730 176.600 0.131 0.000 0.991 26 E CA 0.985 57.441 56.400 0.092 0.000 0.799 26 E CB -0.567 29.195 29.700 0.103 0.000 0.748 26 E HN 0.429 nan 8.360 nan 0.000 0.449 27 L N 0.225 121.533 121.223 0.142 0.000 2.012 27 L HA -0.224 4.109 4.340 -0.010 0.000 0.210 27 L C 2.521 179.502 176.870 0.184 0.000 1.073 27 L CA 1.717 56.667 54.840 0.183 0.000 0.748 27 L CB -0.414 41.723 42.059 0.131 0.000 0.891 27 L HN 0.096 nan 8.230 nan 0.000 0.431 28 K N 0.441 120.908 120.400 0.111 0.000 2.063 28 K HA -0.219 4.094 4.320 -0.010 0.000 0.208 28 K C 2.108 178.812 176.600 0.172 0.000 1.048 28 K CA 1.896 58.241 56.287 0.097 0.000 0.928 28 K CB -0.114 32.404 32.500 0.029 0.000 0.713 28 K HN 0.422 nan 8.250 nan 0.000 0.442 29 K N 0.170 120.651 120.400 0.135 0.000 2.103 29 K HA -0.044 4.269 4.320 -0.010 0.000 0.204 29 K C 1.585 178.275 176.600 0.151 0.000 1.052 29 K CA 1.244 57.606 56.287 0.125 0.000 0.945 29 K CB -0.138 32.410 32.500 0.081 0.000 0.722 29 K HN 0.032 nan 8.250 nan 0.000 0.443 30 N N 0.481 119.285 118.700 0.173 0.000 2.331 30 N HA -0.093 4.641 4.740 -0.010 0.000 0.180 30 N C 1.567 177.241 175.510 0.273 0.000 1.019 30 N CA 0.827 53.977 53.050 0.166 0.000 0.881 30 N CB -0.191 38.402 38.487 0.176 0.000 0.972 30 N HN 0.195 nan 8.380 nan 0.000 0.435 31 F N 2.604 122.658 119.950 0.173 0.000 2.102 31 F HA -0.069 4.452 4.527 -0.010 0.000 0.298 31 F C 2.015 177.922 175.800 0.179 0.000 1.105 31 F CA 1.259 59.375 58.000 0.193 0.000 1.239 31 F CB -0.180 38.904 39.000 0.140 0.000 0.991 31 F HN -0.042 nan 8.300 nan 0.000 0.474 32 N N 0.485 119.401 118.700 0.361 0.000 2.244 32 N HA -0.182 4.552 4.740 -0.010 0.000 0.183 32 N C 2.027 177.606 175.510 0.114 0.000 1.016 32 N CA 1.094 54.274 53.050 0.217 0.000 0.866 32 N CB -0.497 38.103 38.487 0.188 0.000 0.980 32 N HN 0.387 nan 8.380 nan 0.000 0.430 33 R N 0.347 120.921 120.500 0.123 0.000 2.070 33 R HA -0.096 4.238 4.340 -0.010 0.000 0.233 33 R C 1.829 178.205 176.300 0.127 0.000 1.137 33 R CA 1.477 57.673 56.100 0.160 0.000 0.945 33 R CB -0.239 30.097 30.300 0.060 0.000 0.845 33 R HN 0.344 nan 8.270 nan 0.000 0.430 34 H N -0.320 118.790 119.070 0.066 0.000 2.387 34 H HA -0.127 4.422 4.556 -0.010 0.000 0.299 34 H C 1.860 177.121 175.328 -0.112 0.000 1.090 34 H CA 1.491 57.515 56.048 -0.040 0.000 1.332 34 H CB 0.057 29.760 29.762 -0.098 0.000 1.386 34 H HN 0.139 nan 8.280 nan 0.000 0.516 35 L N -0.075 121.124 121.223 -0.040 0.000 2.083 35 L HA -0.187 4.147 4.340 -0.010 0.000 0.209 35 L C 2.157 178.993 176.870 -0.057 0.000 1.083 35 L CA 1.850 56.631 54.840 -0.099 0.000 0.752 35 L CB -0.437 41.561 42.059 -0.102 0.000 0.899 35 L HN 0.298 nan 8.230 nan 0.000 0.433 36 H N -1.692 117.284 119.070 -0.158 0.000 2.276 36 H HA -0.046 4.504 4.556 -0.010 0.000 0.307 36 H C 1.810 176.930 175.328 -0.347 0.000 1.061 36 H CA 2.260 58.121 56.048 -0.311 0.000 1.336 36 H CB -0.300 29.161 29.762 -0.502 0.000 1.396 36 H HN 0.275 nan 8.280 nan 0.000 0.503 37 F N -0.280 119.648 119.950 -0.036 0.000 2.234 37 F HA -0.046 4.474 4.527 -0.011 0.000 0.296 37 F C 2.645 178.364 175.800 -0.135 0.000 1.089 37 F CA 1.463 59.396 58.000 -0.112 0.000 1.343 37 F CB -0.568 38.400 39.000 -0.054 0.000 1.040 37 F HN 0.179 nan 8.300 nan 0.000 0.498 38 T N 0.054 114.639 114.554 0.052 0.000 2.852 38 T HA 0.039 4.383 4.350 -0.010 0.000 0.256 38 T C 1.984 176.593 174.700 -0.151 0.000 1.038 38 T CA 0.931 62.989 62.100 -0.069 0.000 1.141 38 T CB -0.330 68.472 68.868 -0.109 0.000 0.869 38 T HN 0.118 nan 8.240 nan 0.000 0.439 39 L N 1.115 122.247 121.223 -0.150 0.000 2.529 39 L HA 0.205 4.539 4.340 -0.010 0.000 0.223 39 L C 0.309 177.080 176.870 -0.165 0.000 1.113 39 L CA -0.105 54.634 54.840 -0.169 0.000 0.861 39 L CB -0.049 41.915 42.059 -0.158 0.000 1.012 39 L HN -0.021 nan 8.230 nan 0.000 0.461 40 V N 0.687 120.488 119.914 -0.188 0.000 6.125 40 V HA -0.281 3.833 4.120 -0.010 0.000 0.281 40 V C -0.036 175.942 176.094 -0.195 0.000 0.591 40 V CA 1.115 63.274 62.300 -0.234 0.000 0.617 40 V CB -2.206 29.508 31.823 -0.181 0.000 0.336 40 V HN 0.457 nan 8.190 nan 0.000 0.650 41 K N 0.715 121.007 120.400 -0.180 0.000 2.469 41 K HA 0.755 5.069 4.320 -0.010 0.000 0.268 41 K C -0.682 175.883 176.600 -0.059 0.000 1.027 41 K CA -0.407 55.808 56.287 -0.119 0.000 0.893 41 K CB 2.779 35.203 32.500 -0.126 0.000 1.460 41 K HN 0.533 nan 8.250 nan 0.000 0.449 42 D N -1.161 119.225 120.400 -0.023 0.000 2.547 42 D HA 0.324 4.958 4.640 -0.010 0.000 0.231 42 D C 0.545 176.877 176.300 0.053 0.000 1.099 42 D CA -0.763 53.258 54.000 0.035 0.000 0.901 42 D CB 1.084 41.903 40.800 0.032 0.000 1.478 42 D HN 0.098 nan 8.370 nan 0.000 0.471 43 R N 0.525 121.090 120.500 0.109 0.000 2.303 43 R HA -0.042 4.292 4.340 -0.010 0.000 0.225 43 R C 0.574 176.952 176.300 0.130 0.000 1.114 43 R CA 0.537 56.744 56.100 0.179 0.000 1.007 43 R CB -0.746 29.660 30.300 0.177 0.000 0.861 43 R HN 0.535 nan 8.270 nan 0.000 0.471 44 N N 0.089 118.830 118.700 0.069 0.000 2.415 44 N HA -0.057 4.677 4.740 -0.010 0.000 0.176 44 N C 1.460 176.987 175.510 0.029 0.000 1.042 44 N CA 1.110 54.189 53.050 0.049 0.000 0.902 44 N CB 0.556 39.062 38.487 0.031 0.000 0.986 44 N HN 0.202 nan 8.380 nan 0.000 0.447 45 V N -3.056 116.861 119.914 0.005 0.000 3.432 45 V HA 0.529 4.643 4.120 -0.010 0.000 0.298 45 V C 0.709 176.764 176.094 -0.064 0.000 1.464 45 V CA -0.570 61.717 62.300 -0.021 0.000 1.046 45 V CB -0.158 31.648 31.823 -0.029 0.000 0.887 45 V HN 0.009 nan 8.190 nan 0.000 0.441 46 A N 2.196 124.953 122.820 -0.104 0.000 2.440 46 A HA 0.613 4.927 4.320 -0.010 0.000 0.251 46 A C 0.726 178.121 177.584 -0.316 0.000 1.089 46 A CA 0.752 52.610 52.037 -0.299 0.000 0.779 46 A CB -0.035 18.649 19.000 -0.528 0.000 1.022 46 A HN 0.813 nan 8.150 nan 0.000 0.492 47 T N 0.187 114.563 114.554 -0.297 0.000 2.923 47 T HA 0.566 4.910 4.350 -0.010 0.000 0.281 47 T C -2.132 172.491 174.700 -0.128 0.000 0.995 47 T CA -1.758 60.262 62.100 -0.133 0.000 0.985 47 T CB 1.166 70.001 68.868 -0.055 0.000 1.114 47 T HN 0.237 nan 8.240 nan 0.000 0.548 48 P HA -0.079 nan 4.420 nan 0.000 0.216 48 P C 1.616 179.035 177.300 0.199 0.000 1.150 48 P CA 0.937 64.182 63.100 0.242 0.000 0.843 48 P CB 0.046 31.851 31.700 0.176 0.000 0.787 49 R N -0.049 120.514 120.500 0.105 0.000 2.096 49 R HA -0.141 4.193 4.340 -0.010 0.000 0.235 49 R C 1.601 178.076 176.300 0.291 0.000 1.127 49 R CA 1.740 57.947 56.100 0.179 0.000 0.968 49 R CB -0.670 29.658 30.300 0.047 0.000 0.861 49 R HN 0.082 nan 8.270 nan 0.000 0.440 50 D N -0.298 120.138 120.400 0.059 0.000 2.117 50 D HA -0.180 4.454 4.640 -0.010 0.000 0.197 50 D C 1.695 178.000 176.300 0.009 0.000 0.987 50 D CA 1.299 55.279 54.000 -0.034 0.000 0.829 50 D CB -0.316 40.314 40.800 -0.284 0.000 0.961 50 D HN 0.302 nan 8.370 nan 0.000 0.460 51 Y N -0.014 120.389 120.300 0.172 0.000 2.242 51 Y HA -0.194 4.350 4.550 -0.010 0.000 0.291 51 Y C 2.310 178.349 175.900 0.233 0.000 1.137 51 Y CA 0.344 58.585 58.100 0.235 0.000 1.181 51 Y CB -1.087 37.574 38.460 0.336 0.000 0.989 51 Y HN 0.084 nan 8.280 nan 0.000 0.527 52 Y N -0.478 119.978 120.300 0.259 0.000 2.145 52 Y HA -0.274 4.269 4.550 -0.011 0.000 0.286 52 Y C 1.937 177.825 175.900 -0.020 0.000 1.145 52 Y CA 1.230 59.384 58.100 0.091 0.000 1.148 52 Y CB -1.146 37.276 38.460 -0.064 0.000 0.981 52 Y HN 0.046 nan 8.280 nan 0.000 0.507 53 F N 0.266 119.976 119.950 -0.400 0.000 2.171 53 F HA -0.125 4.396 4.527 -0.010 0.000 0.300 53 F C 2.645 178.278 175.800 -0.279 0.000 1.090 53 F CA 1.372 59.087 58.000 -0.474 0.000 1.293 53 F CB -0.850 38.051 39.000 -0.165 0.000 1.013 53 F HN 0.200 nan 8.300 nan 0.000 0.486 54 A N -0.231 122.539 122.820 -0.082 0.000 1.902 54 A HA -0.172 4.142 4.320 -0.010 0.000 0.217 54 A C 2.061 179.532 177.584 -0.189 0.000 1.181 54 A CA 1.526 53.393 52.037 -0.284 0.000 0.623 54 A CB -0.976 17.534 19.000 -0.817 0.000 0.818 54 A HN 0.343 nan 8.150 nan 0.000 0.443 55 L N -0.288 120.950 121.223 0.026 0.000 2.056 55 L HA 0.011 4.345 4.340 -0.010 0.000 0.207 55 L C 2.648 179.518 176.870 0.000 0.000 1.078 55 L CA 2.104 57.089 54.840 0.242 0.000 0.749 55 L CB -0.925 41.339 42.059 0.341 0.000 0.901 55 L HN 0.333 nan 8.230 nan 0.000 0.433 56 A N -1.214 121.420 122.820 -0.310 0.000 1.877 56 A HA -0.275 4.038 4.320 -0.010 0.000 0.216 56 A C 2.142 179.380 177.584 -0.576 0.000 1.186 56 A CA 1.978 53.714 52.037 -0.502 0.000 0.620 56 A CB -1.091 17.270 19.000 -1.064 0.000 0.822 56 A HN 0.669 nan 8.150 nan 0.000 0.443 57 H N -0.833 117.922 119.070 -0.525 0.000 2.421 57 H HA -0.050 4.500 4.556 -0.010 0.000 0.298 57 H C 2.288 177.327 175.328 -0.481 0.000 1.087 57 H CA 1.898 57.558 56.048 -0.646 0.000 1.330 57 H CB -0.116 29.014 29.762 -1.053 0.000 1.388 57 H HN 0.463 nan 8.280 nan 0.000 0.526 58 T N -0.436 114.050 114.554 -0.113 0.000 2.777 58 T HA -0.117 4.227 4.350 -0.010 0.000 0.266 58 T C 2.237 177.082 174.700 0.241 0.000 1.040 58 T CA 1.281 63.490 62.100 0.182 0.000 1.141 58 T CB -0.316 68.742 68.868 0.317 0.000 0.868 58 T HN 0.103 nan 8.240 nan 0.000 0.444 59 V N 1.550 121.595 119.914 0.219 0.000 2.453 59 V HA -0.101 4.012 4.120 -0.010 0.000 0.247 59 V C 2.597 178.869 176.094 0.296 0.000 1.048 59 V CA 1.529 64.014 62.300 0.309 0.000 1.049 59 V CB -0.626 31.375 31.823 0.296 0.000 0.672 59 V HN 0.370 nan 8.190 nan 0.000 0.457 60 R N 0.353 120.966 120.500 0.187 0.000 2.091 60 R HA -0.230 4.104 4.340 -0.010 0.000 0.238 60 R C 1.978 178.366 176.300 0.146 0.000 1.136 60 R CA 2.213 58.416 56.100 0.172 0.000 0.959 60 R CB -0.456 29.784 30.300 -0.101 0.000 0.856 60 R HN 0.459 nan 8.270 nan 0.000 0.437 61 D N -0.042 120.415 120.400 0.096 0.000 2.133 61 D HA -0.187 4.447 4.640 -0.010 0.000 0.195 61 D C 1.772 178.063 176.300 -0.016 0.000 0.997 61 D CA 1.216 55.241 54.000 0.042 0.000 0.840 61 D CB -0.442 40.361 40.800 0.005 0.000 0.947 61 D HN 0.455 nan 8.370 nan 0.000 0.452 62 H N -0.288 118.848 119.070 0.111 0.000 2.521 62 H HA 0.020 4.570 4.556 -0.010 0.000 0.286 62 H C 2.260 177.632 175.328 0.073 0.000 1.034 62 H CA 0.418 56.515 56.048 0.081 0.000 1.278 62 H CB 0.178 29.980 29.762 0.066 0.000 1.386 62 H HN 0.217 nan 8.280 nan 0.000 0.567 63 L N 0.416 121.749 121.223 0.183 0.000 2.127 63 L HA -0.107 4.227 4.340 -0.010 0.000 0.203 63 L C 2.770 179.753 176.870 0.189 0.000 1.080 63 L CA 0.536 55.453 54.840 0.128 0.000 0.768 63 L CB -0.193 41.913 42.059 0.078 0.000 0.924 63 L HN 0.107 nan 8.230 nan 0.000 0.444 64 V N -1.980 118.073 119.914 0.231 0.000 2.282 64 V HA -0.202 3.912 4.120 -0.010 0.000 0.249 64 V C 2.308 178.521 176.094 0.197 0.000 1.057 64 V CA 2.148 64.619 62.300 0.286 0.000 1.032 64 V CB -1.879 30.064 31.823 0.199 0.000 0.645 64 V HN 0.405 nan 8.190 nan 0.000 0.447 65 G N 0.344 109.216 108.800 0.120 0.000 2.459 65 G HA2 -0.258 3.696 3.960 -0.010 0.000 0.217 65 G HA3 -0.258 3.696 3.960 -0.010 0.000 0.217 65 G C 1.759 176.709 174.900 0.084 0.000 1.183 65 G CA 1.090 46.236 45.100 0.077 0.000 0.776 65 G HN 0.562 nan 8.290 nan 0.000 0.552 66 R N -1.460 119.097 120.500 0.096 0.000 2.092 66 R HA -0.075 4.259 4.340 -0.010 0.000 0.231 66 R C 2.276 178.655 176.300 0.131 0.000 1.119 66 R CA 1.124 57.266 56.100 0.070 0.000 0.970 66 R CB -0.363 29.961 30.300 0.040 0.000 0.864 66 R HN 0.487 nan 8.270 nan 0.000 0.440 67 W N 1.721 122.999 121.300 -0.037 0.000 2.355 67 W HA -0.076 4.578 4.660 -0.010 0.000 0.309 67 W C 1.709 178.196 176.519 -0.054 0.000 1.206 67 W CA 0.910 58.229 57.345 -0.044 0.000 1.284 67 W CB -0.560 28.892 29.460 -0.013 0.000 1.145 67 W HN -0.043 nan 8.180 nan 0.000 0.502 68 I N 1.050 121.677 120.570 0.095 0.000 2.226 68 I HA -0.329 3.834 4.170 -0.010 0.000 0.245 68 I C 2.593 178.691 176.117 -0.032 0.000 1.100 68 I CA 1.919 63.187 61.300 -0.054 0.000 1.374 68 I CB -0.595 37.377 38.000 -0.047 0.000 1.057 68 I HN -0.001 nan 8.210 nan 0.000 0.413 69 R N 0.145 120.642 120.500 -0.004 0.000 2.153 69 R HA -0.018 4.315 4.340 -0.010 0.000 0.218 69 R C 1.934 178.197 176.300 -0.061 0.000 1.072 69 R CA 1.300 57.389 56.100 -0.020 0.000 0.990 69 R CB -1.066 29.222 30.300 -0.019 0.000 0.889 69 R HN 0.171 nan 8.270 nan 0.000 0.452 70 T N 1.643 116.139 114.554 -0.097 0.000 2.701 70 T HA -0.097 4.246 4.350 -0.010 0.000 0.263 70 T C 1.813 176.249 174.700 -0.440 0.000 1.040 70 T CA 1.283 63.214 62.100 -0.281 0.000 1.147 70 T CB -0.107 68.630 68.868 -0.219 0.000 0.865 70 T HN 0.222 nan 8.240 nan 0.000 0.426 71 Q N 0.832 120.512 119.800 -0.200 0.000 2.170 71 Q HA -0.099 4.234 4.340 -0.010 0.000 0.203 71 Q C 2.322 178.332 176.000 0.015 0.000 0.976 71 Q CA 1.290 57.047 55.803 -0.078 0.000 0.858 71 Q CB -0.500 28.222 28.738 -0.027 0.000 0.907 71 Q HN 0.478 nan 8.270 nan 0.000 0.433 72 Q N 0.063 119.867 119.800 0.008 0.000 2.119 72 Q HA -0.171 4.163 4.340 -0.010 0.000 0.201 72 Q C 1.884 177.976 176.000 0.154 0.000 0.972 72 Q CA 1.795 57.653 55.803 0.092 0.000 0.847 72 Q CB -0.357 28.416 28.738 0.058 0.000 0.903 72 Q HN 0.540 nan 8.270 nan 0.000 0.433 73 H N -0.880 118.164 119.070 -0.042 0.000 2.319 73 H HA -0.182 4.368 4.556 -0.010 0.000 0.299 73 H C 1.160 176.556 175.328 0.113 0.000 1.092 73 H CA 2.338 58.372 56.048 -0.024 0.000 1.302 73 H CB -0.348 29.327 29.762 -0.145 0.000 1.373 73 H HN 0.352 nan 8.280 nan 0.000 0.497 74 Y N -1.072 119.278 120.300 0.082 0.000 2.274 74 Y HA -0.189 4.354 4.550 -0.011 0.000 0.290 74 Y C 2.421 178.354 175.900 0.056 0.000 1.145 74 Y CA 1.026 59.140 58.100 0.023 0.000 1.203 74 Y CB -1.304 37.227 38.460 0.117 0.000 0.984 74 Y HN 0.370 nan 8.280 nan 0.000 0.533 75 Y N 1.245 121.631 120.300 0.144 0.000 2.242 75 Y HA -0.150 4.394 4.550 -0.010 0.000 0.291 75 Y C 2.048 177.963 175.900 0.026 0.000 1.137 75 Y CA 1.491 59.639 58.100 0.080 0.000 1.181 75 Y CB -0.059 38.438 38.460 0.062 0.000 0.989 75 Y HN 0.040 nan 8.280 nan 0.000 0.527 76 E N 0.474 120.649 120.200 -0.042 0.000 2.028 76 E HA -0.155 4.189 4.350 -0.010 0.000 0.190 76 E C 1.984 178.483 176.600 -0.168 0.000 0.984 76 E CA 1.364 57.680 56.400 -0.140 0.000 0.800 76 E CB -0.309 29.372 29.700 -0.033 0.000 0.758 76 E HN 0.490 nan 8.360 nan 0.000 0.448 77 K N 0.704 120.997 120.400 -0.178 0.000 2.366 77 K HA -0.072 4.241 4.320 -0.010 0.000 0.198 77 K C 0.008 176.544 176.600 -0.107 0.000 1.044 77 K CA 0.474 56.664 56.287 -0.162 0.000 0.973 77 K CB -0.000 32.347 32.500 -0.254 0.000 0.767 77 K HN 0.006 nan 8.250 nan 0.000 0.475 78 D N 1.056 121.406 120.400 -0.084 0.000 2.740 78 D HA -0.109 4.525 4.640 -0.010 0.000 0.231 78 D C -2.353 173.922 176.300 -0.041 0.000 1.194 78 D CA 0.058 54.027 54.000 -0.053 0.000 0.673 78 D CB -0.044 40.699 40.800 -0.095 0.000 0.995 78 D HN 0.180 nan 8.370 nan 0.000 0.411 79 P HA 0.092 nan 4.420 nan 0.000 0.277 79 P C -0.179 177.081 177.300 -0.067 0.000 1.271 79 P CA -0.622 62.441 63.100 -0.061 0.000 0.795 79 P CB 0.644 32.291 31.700 -0.089 0.000 1.101 80 K N 1.057 121.420 120.400 -0.061 0.000 2.412 80 K HA 0.082 4.396 4.320 -0.010 0.000 0.281 80 K C -0.058 176.464 176.600 -0.130 0.000 1.027 80 K CA -0.097 56.151 56.287 -0.065 0.000 0.989 80 K CB 0.234 32.712 32.500 -0.037 0.000 0.935 80 K HN 0.246 nan 8.250 nan 0.000 0.475 81 R N 3.567 123.981 120.500 -0.143 0.000 2.368 81 R HA 0.341 4.675 4.340 -0.010 0.000 0.302 81 R C -0.538 175.510 176.300 -0.418 0.000 1.002 81 R CA -0.441 55.497 56.100 -0.270 0.000 0.929 81 R CB 0.807 30.957 30.300 -0.250 0.000 1.073 81 R HN 0.500 nan 8.270 nan 0.000 0.464 82 I N 4.483 124.744 120.570 -0.516 0.000 2.339 82 I HA 0.219 4.383 4.170 -0.010 0.000 0.290 82 I C -0.690 175.123 176.117 -0.506 0.000 0.994 82 I CA -0.794 60.156 61.300 -0.583 0.000 1.191 82 I CB 0.912 38.448 38.000 -0.773 0.000 1.343 82 I HN 0.535 nan 8.210 nan 0.000 0.458 83 Y N 5.948 126.214 120.300 -0.056 0.000 2.356 83 Y HA 0.295 4.839 4.550 -0.010 0.000 0.334 83 Y C -0.322 175.678 175.900 0.165 0.000 0.958 83 Y CA -0.708 57.480 58.100 0.147 0.000 1.196 83 Y CB 1.206 39.714 38.460 0.079 0.000 1.137 83 Y HN 0.397 nan 8.280 nan 0.000 0.485 84 Y N 4.611 125.082 120.300 0.286 0.000 2.504 84 Y HA 0.485 5.029 4.550 -0.010 0.000 0.339 84 Y C -1.283 174.874 175.900 0.429 0.000 0.974 84 Y CA -1.048 57.227 58.100 0.292 0.000 1.232 84 Y CB 0.308 38.940 38.460 0.285 0.000 1.108 84 Y HN 0.500 nan 8.280 nan 0.000 0.509 85 L N 4.980 126.261 121.223 0.096 0.000 2.265 85 L HA 0.487 4.821 4.340 -0.010 0.000 0.288 85 L C -0.123 176.766 176.870 0.030 0.000 1.058 85 L CA 0.120 55.065 54.840 0.176 0.000 0.809 85 L CB 1.245 43.374 42.059 0.116 0.000 1.179 85 L HN 0.575 nan 8.230 nan 0.000 0.429 86 S N 2.376 118.178 115.700 0.171 0.000 2.541 86 S HA 0.520 4.984 4.470 -0.010 0.000 0.271 86 S C 0.132 174.820 174.600 0.147 0.000 1.133 86 S CA -0.500 57.700 58.200 -0.000 0.000 0.876 86 S CB 1.028 63.998 63.200 -0.383 0.000 1.105 86 S HN 0.452 nan 8.310 nan 0.000 0.470 87 L N 2.761 124.107 121.223 0.206 0.000 2.592 87 L HA 0.472 4.805 4.340 -0.010 0.000 0.227 87 L C 0.200 177.268 176.870 0.331 0.000 1.127 87 L CA 0.908 55.937 54.840 0.316 0.000 0.884 87 L CB -0.123 42.140 42.059 0.340 0.000 1.065 87 L HN 0.644 nan 8.230 nan 0.000 0.457 88 E N -1.239 119.023 120.200 0.102 0.000 2.308 88 E HA 0.399 4.743 4.350 -0.010 0.000 0.275 88 E C -1.397 175.058 176.600 -0.240 0.000 0.890 88 E CA -0.430 56.010 56.400 0.067 0.000 0.754 88 E CB 1.915 31.642 29.700 0.044 0.000 1.207 88 E HN -0.169 nan 8.360 nan 0.000 0.426 89 F N 2.174 122.226 119.950 0.170 0.000 2.902 89 F HA 0.173 4.694 4.527 -0.011 0.000 0.368 89 F C -0.900 174.979 175.800 0.131 0.000 1.202 89 F CA -0.749 57.340 58.000 0.148 0.000 1.109 89 F CB 0.974 40.052 39.000 0.130 0.000 1.418 89 F HN 0.485 nan 8.300 nan 0.000 0.527 90 Y N 5.252 125.618 120.300 0.111 0.000 2.632 90 Y HA 0.209 4.753 4.550 -0.010 0.000 0.336 90 Y C 1.006 176.925 175.900 0.032 0.000 1.237 90 Y CA -1.020 57.099 58.100 0.033 0.000 1.595 90 Y CB 0.333 38.792 38.460 -0.001 0.000 1.508 90 Y HN 0.538 nan 8.280 nan 0.000 0.480 91 M N 1.581 121.336 119.600 0.259 0.000 2.288 91 M HA 0.102 4.576 4.480 -0.010 0.000 0.266 91 M C 1.550 177.843 176.300 -0.012 0.000 1.072 91 M CA 1.092 56.444 55.300 0.087 0.000 1.132 91 M CB -1.261 31.361 32.600 0.035 0.000 1.386 91 M HN 0.692 nan 8.290 nan 0.000 0.432 92 G N 1.155 109.968 108.800 0.022 0.000 2.562 92 G HA2 -0.269 3.685 3.960 -0.010 0.000 0.250 92 G HA3 -0.269 3.685 3.960 -0.010 0.000 0.250 92 G C -0.291 174.573 174.900 -0.059 0.000 1.269 92 G CA -0.335 44.728 45.100 -0.061 0.000 0.919 92 G HN 0.440 nan 8.290 nan 0.000 0.574 93 R N -0.787 119.655 120.500 -0.097 0.000 2.531 93 R HA 0.565 4.899 4.340 -0.010 0.000 0.273 93 R C 1.111 177.296 176.300 -0.192 0.000 1.070 93 R CA 0.333 56.382 56.100 -0.085 0.000 1.112 93 R CB 0.678 30.933 30.300 -0.075 0.000 1.049 93 R HN 0.528 nan 8.270 nan 0.000 0.508 94 T N 1.143 115.530 114.554 -0.278 0.000 2.969 94 T HA -0.007 4.337 4.350 -0.010 0.000 0.250 94 T C 1.436 175.748 174.700 -0.646 0.000 1.021 94 T CA -0.164 61.562 62.100 -0.623 0.000 1.003 94 T CB 0.132 68.246 68.868 -1.256 0.000 1.040 94 T HN 0.309 nan 8.240 nan 0.000 0.492 95 L N 1.979 123.046 121.223 -0.260 0.000 1.955 95 L HA -0.072 4.262 4.340 -0.010 0.000 0.213 95 L C 2.449 179.282 176.870 -0.063 0.000 1.072 95 L CA 2.021 56.862 54.840 0.003 0.000 0.755 95 L CB -0.712 41.559 42.059 0.354 0.000 0.888 95 L HN 0.179 nan 8.230 nan 0.000 0.432 96 Q N -0.801 118.963 119.800 -0.059 0.000 2.084 96 Q HA -0.253 4.080 4.340 -0.010 0.000 0.202 96 Q C 2.232 178.160 176.000 -0.120 0.000 0.978 96 Q CA 1.821 57.583 55.803 -0.069 0.000 0.844 96 Q CB -0.297 28.397 28.738 -0.073 0.000 0.898 96 Q HN 0.693 nan 8.270 nan 0.000 0.426 97 N N -0.892 117.697 118.700 -0.185 0.000 2.149 97 N HA -0.145 4.589 4.740 -0.010 0.000 0.188 97 N C 1.349 176.751 175.510 -0.180 0.000 1.019 97 N CA 1.760 54.692 53.050 -0.197 0.000 0.857 97 N CB 0.085 38.421 38.487 -0.252 0.000 0.997 97 N HN 0.200 nan 8.380 nan 0.000 0.426 98 T N 1.263 115.675 114.554 -0.236 0.000 2.777 98 T HA -0.035 4.308 4.350 -0.010 0.000 0.266 98 T C 2.069 176.707 174.700 -0.104 0.000 1.040 98 T CA 1.003 62.982 62.100 -0.202 0.000 1.141 98 T CB -0.045 68.657 68.868 -0.277 0.000 0.868 98 T HN 0.268 nan 8.240 nan 0.000 0.444 99 M N 0.618 120.175 119.600 -0.073 0.000 2.117 99 M HA -0.078 4.396 4.480 -0.010 0.000 0.262 99 M C 2.478 178.744 176.300 -0.056 0.000 1.065 99 M CA 1.231 56.504 55.300 -0.045 0.000 1.114 99 M CB -0.677 31.913 32.600 -0.017 0.000 1.361 99 M HN 0.103 nan 8.290 nan 0.000 0.408 100 V N 0.991 120.876 119.914 -0.048 0.000 2.295 100 V HA -0.269 3.844 4.120 -0.010 0.000 0.246 100 V C 1.788 177.882 176.094 0.001 0.000 1.049 100 V CA 1.980 64.275 62.300 -0.009 0.000 1.024 100 V CB -0.904 30.920 31.823 0.001 0.000 0.648 100 V HN 0.466 nan 8.190 nan 0.000 0.447 101 N N -0.312 118.378 118.700 -0.018 0.000 2.381 101 N HA -0.056 4.678 4.740 -0.010 0.000 0.182 101 N C 1.061 176.470 175.510 -0.168 0.000 1.025 101 N CA 0.765 53.785 53.050 -0.051 0.000 0.888 101 N CB -0.132 38.336 38.487 -0.031 0.000 0.965 101 N HN 0.291 nan 8.380 nan 0.000 0.438 102 L N -0.328 120.816 121.223 -0.132 0.000 2.640 102 L HA 0.407 4.740 4.340 -0.010 0.000 0.230 102 L C 0.585 177.366 176.870 -0.149 0.000 1.123 102 L CA -0.226 54.533 54.840 -0.134 0.000 0.900 102 L CB -0.673 41.332 42.059 -0.090 0.000 1.146 102 L HN 0.092 nan 8.230 nan 0.000 0.484 103 A N -0.361 122.368 122.820 -0.152 0.000 2.822 103 A HA -0.222 4.092 4.320 -0.010 0.000 0.287 103 A C 1.105 178.626 177.584 -0.105 0.000 1.479 103 A CA 1.201 53.160 52.037 -0.129 0.000 0.779 103 A CB -2.046 16.863 19.000 -0.152 0.000 1.022 103 A HN 0.324 nan 8.150 nan 0.000 0.532 104 L N -1.562 119.602 121.223 -0.099 0.000 2.766 104 L HA 0.158 4.492 4.340 -0.010 0.000 0.242 104 L C 1.888 178.724 176.870 -0.056 0.000 1.136 104 L CA 0.654 55.434 54.840 -0.099 0.000 0.933 104 L CB 0.047 42.024 42.059 -0.136 0.000 1.241 104 L HN 0.645 nan 8.230 nan 0.000 0.522 105 E N 0.975 121.150 120.200 -0.042 0.000 2.038 105 E HA -0.234 4.110 4.350 -0.010 0.000 0.195 105 E C 1.693 178.281 176.600 -0.021 0.000 1.000 105 E CA 1.491 57.877 56.400 -0.023 0.000 0.803 105 E CB 0.260 29.948 29.700 -0.020 0.000 0.750 105 E HN 0.411 nan 8.360 nan 0.000 0.448 106 N N 0.027 118.711 118.700 -0.027 0.000 2.188 106 N HA -0.118 4.616 4.740 -0.010 0.000 0.184 106 N C 1.572 177.067 175.510 -0.024 0.000 1.018 106 N CA 1.187 54.221 53.050 -0.027 0.000 0.858 106 N CB -0.364 38.106 38.487 -0.029 0.000 0.989 106 N HN 0.212 nan 8.380 nan 0.000 0.426 107 A N 0.452 123.255 122.820 -0.028 0.000 1.877 107 A HA -0.148 4.166 4.320 -0.010 0.000 0.216 107 A C 2.648 180.226 177.584 -0.010 0.000 1.186 107 A CA 1.342 53.366 52.037 -0.022 0.000 0.620 107 A CB -1.007 17.970 19.000 -0.038 0.000 0.822 107 A HN 0.436 nan 8.150 nan 0.000 0.443 108 C N -0.876 118.419 119.300 -0.008 0.000 2.435 108 C HA -0.053 4.401 4.460 -0.010 0.000 0.279 108 C C 2.452 177.444 174.990 0.004 0.000 1.321 108 C CA 1.078 60.101 59.018 0.010 0.000 1.752 108 C CB -1.095 26.665 27.740 0.033 0.000 1.959 108 C HN 0.710 nan 8.230 nan 0.000 0.500 109 D N 0.792 121.194 120.400 0.003 0.000 2.097 109 D HA -0.145 4.488 4.640 -0.010 0.000 0.195 109 D C 2.127 178.442 176.300 0.025 0.000 0.989 109 D CA 1.547 55.551 54.000 0.007 0.000 0.827 109 D CB -0.225 40.568 40.800 -0.013 0.000 0.966 109 D HN 0.468 nan 8.370 nan 0.000 0.456 110 E N 0.179 120.388 120.200 0.015 0.000 2.047 110 E HA -0.038 4.306 4.350 -0.010 0.000 0.191 110 E C 1.901 178.543 176.600 0.070 0.000 0.987 110 E CA 1.595 58.026 56.400 0.052 0.000 0.799 110 E CB -0.609 29.104 29.700 0.020 0.000 0.752 110 E HN 0.211 nan 8.360 nan 0.000 0.449 111 A N -0.069 122.757 122.820 0.009 0.000 1.908 111 A HA -0.227 4.087 4.320 -0.010 0.000 0.218 111 A C 2.492 180.002 177.584 -0.125 0.000 1.181 111 A CA 2.900 54.913 52.037 -0.040 0.000 0.627 111 A CB -1.471 17.508 19.000 -0.035 0.000 0.818 111 A HN 0.527 nan 8.150 nan 0.000 0.445 112 T N -3.833 110.640 114.554 -0.134 0.000 2.904 112 T HA -0.184 4.159 4.350 -0.010 0.000 0.267 112 T C 1.840 176.458 174.700 -0.135 0.000 1.059 112 T CA 1.442 63.402 62.100 -0.233 0.000 1.137 112 T CB -0.565 68.205 68.868 -0.163 0.000 0.879 112 T HN 0.462 nan 8.240 nan 0.000 0.467 113 Y N 2.226 122.447 120.300 -0.131 0.000 2.128 113 Y HA -0.105 4.439 4.550 -0.010 0.000 0.284 113 Y C 2.605 178.445 175.900 -0.101 0.000 1.154 113 Y CA 1.576 59.618 58.100 -0.097 0.000 1.149 113 Y CB -0.600 37.821 38.460 -0.065 0.000 0.976 113 Y HN 0.236 nan 8.280 nan 0.000 0.505 114 Q N -0.896 118.810 119.800 -0.157 0.000 2.291 114 Q HA -0.129 4.205 4.340 -0.010 0.000 0.206 114 Q C 1.469 177.327 176.000 -0.238 0.000 0.976 114 Q CA 0.967 56.639 55.803 -0.218 0.000 0.875 114 Q CB -0.087 28.611 28.738 -0.067 0.000 0.927 114 Q HN 0.359 nan 8.270 nan 0.000 0.450 115 L N -1.016 120.057 121.223 -0.251 0.000 2.591 115 L HA 0.158 4.492 4.340 -0.010 0.000 0.228 115 L C 1.070 177.779 176.870 -0.268 0.000 1.133 115 L CA 1.099 55.785 54.840 -0.257 0.000 0.880 115 L CB -0.162 41.672 42.059 -0.374 0.000 1.033 115 L HN 0.287 nan 8.230 nan 0.000 0.450 116 G N -0.164 108.457 108.800 -0.299 0.000 2.160 116 G HA2 -0.244 3.709 3.960 -0.010 0.000 0.244 116 G HA3 -0.244 3.709 3.960 -0.010 0.000 0.244 116 G C 0.034 174.801 174.900 -0.222 0.000 1.022 116 G CA 0.276 45.216 45.100 -0.266 0.000 0.741 116 G HN 0.273 nan 8.290 nan 0.000 0.508 117 L N -0.270 120.820 121.223 -0.221 0.000 2.354 117 L HA 0.596 4.929 4.340 -0.010 0.000 0.269 117 L C -0.662 176.177 176.870 -0.052 0.000 1.005 117 L CA -1.181 53.559 54.840 -0.165 0.000 0.819 117 L CB 1.967 43.868 42.059 -0.263 0.000 1.311 117 L HN 0.088 nan 8.230 nan 0.000 0.423 118 D N 2.263 122.663 120.400 -0.000 0.000 2.396 118 D HA 0.177 4.811 4.640 -0.010 0.000 0.225 118 D C 0.665 176.995 176.300 0.051 0.000 1.121 118 D CA -0.262 53.765 54.000 0.045 0.000 0.853 118 D CB 1.493 42.323 40.800 0.051 0.000 1.043 118 D HN 0.519 nan 8.370 nan 0.000 0.500 119 M N 3.135 122.766 119.600 0.052 0.000 2.149 119 M HA -0.162 4.311 4.480 -0.010 0.000 0.261 119 M C 1.343 177.687 176.300 0.073 0.000 1.064 119 M CA 1.585 56.925 55.300 0.067 0.000 1.102 119 M CB 0.179 32.811 32.600 0.054 0.000 1.369 119 M HN 0.422 nan 8.290 nan 0.000 0.408 120 E N -0.236 119.997 120.200 0.056 0.000 2.153 120 E HA -0.263 4.081 4.350 -0.010 0.000 0.194 120 E C 1.842 178.475 176.600 0.056 0.000 0.988 120 E CA 1.456 57.886 56.400 0.050 0.000 0.811 120 E CB -0.130 29.596 29.700 0.044 0.000 0.746 120 E HN 0.650 nan 8.360 nan 0.000 0.466 121 E N 0.344 120.581 120.200 0.062 0.000 2.106 121 E HA -0.189 4.155 4.350 -0.010 0.000 0.192 121 E C 1.869 178.511 176.600 0.070 0.000 0.984 121 E CA 0.568 57.005 56.400 0.062 0.000 0.806 121 E CB 0.177 29.916 29.700 0.065 0.000 0.750 121 E HN 0.078 nan 8.360 nan 0.000 0.458 122 L N 1.396 122.683 121.223 0.107 0.000 2.093 122 L HA -0.117 4.217 4.340 -0.010 0.000 0.208 122 L C 2.024 178.949 176.870 0.092 0.000 1.085 122 L CA 1.580 56.516 54.840 0.161 0.000 0.755 122 L CB -0.488 41.724 42.059 0.255 0.000 0.904 122 L HN 0.135 nan 8.230 nan 0.000 0.435 123 E N -0.633 119.612 120.200 0.075 0.000 2.153 123 E HA -0.184 4.159 4.350 -0.010 0.000 0.194 123 E C 1.720 178.274 176.600 -0.076 0.000 0.988 123 E CA 0.721 57.133 56.400 0.020 0.000 0.811 123 E CB -0.032 29.690 29.700 0.037 0.000 0.746 123 E HN 0.426 nan 8.360 nan 0.000 0.466 124 E N 0.366 120.541 120.200 -0.042 0.000 2.418 124 E HA -0.086 4.258 4.350 -0.010 0.000 0.197 124 E C 1.827 178.365 176.600 -0.103 0.000 1.026 124 E CA 0.497 56.874 56.400 -0.038 0.000 0.862 124 E CB 0.092 29.804 29.700 0.020 0.000 0.799 124 E HN 0.428 nan 8.360 nan 0.000 0.518 125 I N 0.690 121.133 120.570 -0.211 0.000 2.716 125 I HA -0.080 4.084 4.170 -0.010 0.000 0.259 125 I C 1.366 177.194 176.117 -0.482 0.000 1.172 125 I CA 0.141 61.261 61.300 -0.299 0.000 1.478 125 I CB 0.082 37.912 38.000 -0.282 0.000 1.104 125 I HN -0.019 nan 8.210 nan 0.000 0.439 126 E N 2.723 122.499 120.200 -0.707 0.000 2.384 126 E HA -0.031 4.313 4.350 -0.010 0.000 0.266 126 E C -0.225 176.296 176.600 -0.131 0.000 1.012 126 E CA -0.197 55.861 56.400 -0.570 0.000 0.901 126 E CB 0.682 30.139 29.700 -0.405 0.000 0.967 126 E HN 0.077 nan 8.360 nan 0.000 0.435 127 E N 3.278 123.503 120.200 0.041 0.000 2.343 127 E HA 0.094 4.437 4.350 -0.010 0.000 0.269 127 E C -0.851 175.865 176.600 0.194 0.000 1.047 127 E CA -0.258 56.245 56.400 0.172 0.000 0.874 127 E CB 0.866 30.756 29.700 0.318 0.000 1.033 127 E HN 0.492 nan 8.360 nan 0.000 0.409 128 D N 0.518 121.008 120.400 0.150 0.000 2.372 128 D HA 0.228 4.862 4.640 -0.010 0.000 0.243 128 D C -0.441 175.908 176.300 0.082 0.000 1.121 128 D CA 0.028 54.090 54.000 0.102 0.000 0.898 128 D CB 0.732 41.582 40.800 0.083 0.000 1.202 128 D HN 0.373 nan 8.370 nan 0.000 0.428 129 A N 1.941 124.758 122.820 -0.005 0.000 2.650 129 A HA 0.502 4.816 4.320 -0.010 0.000 0.320 129 A C 0.846 178.276 177.584 -0.256 0.000 1.466 129 A CA -0.529 51.304 52.037 -0.341 0.000 1.099 129 A CB -0.165 18.718 19.000 -0.194 0.000 1.136 129 A HN 0.521 nan 8.150 nan 0.000 0.532 130 G N 2.080 110.659 108.800 -0.369 0.000 3.717 130 G HA2 0.427 4.381 3.960 -0.010 0.000 0.258 130 G HA3 0.427 4.381 3.960 -0.010 0.000 0.258 130 G C 0.261 174.840 174.900 -0.535 0.000 1.088 130 G CA -0.287 44.610 45.100 -0.339 0.000 1.737 130 G HN 0.687 nan 8.290 nan 0.000 0.648 131 L N 1.461 122.455 121.223 -0.381 0.000 2.939 131 L HA 0.391 4.725 4.340 -0.010 0.000 0.239 131 L C 1.025 177.811 176.870 -0.140 0.000 1.325 131 L CA -0.220 54.529 54.840 -0.152 0.000 1.170 131 L CB -0.336 41.773 42.059 0.083 0.000 1.538 131 L HN 0.347 nan 8.230 nan 0.000 0.452 132 G N -1.256 107.239 108.800 -0.509 0.000 2.623 132 G HA2 0.196 4.150 3.960 -0.010 0.000 0.290 132 G HA3 0.196 4.150 3.960 -0.010 0.000 0.290 132 G C -0.175 174.384 174.900 -0.568 0.000 1.437 132 G CA -0.457 44.398 45.100 -0.408 0.000 0.798 132 G HN -0.078 nan 8.290 nan 0.000 0.488 133 N N -0.809 117.770 118.700 -0.202 0.000 2.439 133 N HA 0.207 4.941 4.740 -0.010 0.000 0.176 133 N C 1.158 176.719 175.510 0.085 0.000 1.029 133 N CA 1.298 54.297 53.050 -0.086 0.000 0.886 133 N CB 1.245 39.748 38.487 0.025 0.000 1.057 133 N HN 0.816 nan 8.380 nan 0.000 0.437 134 G N -0.670 108.235 108.800 0.175 0.000 2.947 134 G HA2 0.207 4.160 3.960 -0.010 0.000 0.115 134 G HA3 0.207 4.160 3.960 -0.010 0.000 0.115 134 G C 0.742 175.734 174.900 0.154 0.000 1.214 134 G CA 0.250 45.483 45.100 0.222 0.000 1.324 134 G HN 0.152 nan 8.290 nan 0.000 0.645 135 G N 0.398 109.241 108.800 0.072 0.000 2.476 135 G HA2 -0.082 3.872 3.960 -0.010 0.000 0.218 135 G HA3 -0.082 3.872 3.960 -0.010 0.000 0.218 135 G C 1.896 176.769 174.900 -0.045 0.000 1.164 135 G CA 1.664 46.768 45.100 0.006 0.000 0.768 135 G HN 0.763 nan 8.290 nan 0.000 0.560 136 L N 0.900 122.079 121.223 -0.073 0.000 2.017 136 L HA 0.118 4.451 4.340 -0.010 0.000 0.208 136 L C 2.866 179.654 176.870 -0.135 0.000 1.073 136 L CA 2.331 57.041 54.840 -0.216 0.000 0.745 136 L CB -0.662 41.251 42.059 -0.244 0.000 0.894 136 L HN 0.193 nan 8.230 nan 0.000 0.432 137 G N -1.019 107.768 108.800 -0.021 0.000 2.408 137 G HA2 -0.259 3.695 3.960 -0.010 0.000 0.217 137 G HA3 -0.259 3.695 3.960 -0.010 0.000 0.217 137 G C 1.724 176.678 174.900 0.090 0.000 1.150 137 G CA 0.460 45.575 45.100 0.026 0.000 0.776 137 G HN 0.207 nan 8.290 nan 0.000 0.542 138 R N 0.189 120.754 120.500 0.109 0.000 2.092 138 R HA 0.094 4.428 4.340 -0.010 0.000 0.231 138 R C 2.432 178.717 176.300 -0.024 0.000 1.119 138 R CA 0.756 56.897 56.100 0.068 0.000 0.970 138 R CB -1.045 29.256 30.300 0.001 0.000 0.864 138 R HN 0.385 nan 8.270 nan 0.000 0.440 139 L N 0.667 121.804 121.223 -0.142 0.000 2.046 139 L HA -0.061 4.273 4.340 -0.010 0.000 0.208 139 L C 2.166 178.733 176.870 -0.505 0.000 1.077 139 L CA 2.201 56.810 54.840 -0.384 0.000 0.747 139 L CB -0.780 41.014 42.059 -0.443 0.000 0.896 139 L HN 0.196 nan 8.230 nan 0.000 0.432 140 A N -0.645 122.029 122.820 -0.243 0.000 1.933 140 A HA -0.128 4.186 4.320 -0.010 0.000 0.218 140 A C 2.439 180.087 177.584 0.107 0.000 1.175 140 A CA 1.811 53.795 52.037 -0.087 0.000 0.628 140 A CB -1.111 17.799 19.000 -0.150 0.000 0.814 140 A HN 0.567 nan 8.150 nan 0.000 0.444 141 A N -1.071 121.836 122.820 0.144 0.000 1.898 141 A HA -0.148 4.166 4.320 -0.010 0.000 0.216 141 A C 2.309 179.967 177.584 0.123 0.000 1.181 141 A CA 1.625 53.772 52.037 0.184 0.000 0.620 141 A CB -1.251 17.846 19.000 0.160 0.000 0.819 141 A HN 0.590 nan 8.150 nan 0.000 0.442 142 C N -1.434 117.931 119.300 0.108 0.000 2.429 142 C HA -0.057 4.397 4.460 -0.010 0.000 0.277 142 C C 2.428 177.574 174.990 0.259 0.000 1.262 142 C CA 0.584 59.704 59.018 0.170 0.000 1.733 142 C CB -1.599 26.254 27.740 0.189 0.000 2.010 142 C HN 0.606 nan 8.230 nan 0.000 0.483 143 F N 1.182 121.117 119.950 -0.025 0.000 2.134 143 F HA -0.073 4.447 4.527 -0.011 0.000 0.299 143 F C 2.247 177.984 175.800 -0.105 0.000 1.097 143 F CA 1.007 58.938 58.000 -0.114 0.000 1.264 143 F CB -1.384 37.414 39.000 -0.337 0.000 1.001 143 F HN 0.203 nan 8.300 nan 0.000 0.479 144 L N -0.428 120.869 121.223 0.123 0.000 2.046 144 L HA -0.246 4.088 4.340 -0.010 0.000 0.208 144 L C 2.155 179.033 176.870 0.014 0.000 1.077 144 L CA 1.923 56.788 54.840 0.041 0.000 0.747 144 L CB -0.768 41.316 42.059 0.041 0.000 0.896 144 L HN 0.102 nan 8.230 nan 0.000 0.432 145 D N -0.407 120.013 120.400 0.034 0.000 2.097 145 D HA -0.175 4.459 4.640 -0.010 0.000 0.195 145 D C 2.206 178.522 176.300 0.025 0.000 0.989 145 D CA 1.537 55.543 54.000 0.010 0.000 0.827 145 D CB 0.204 41.010 40.800 0.011 0.000 0.966 145 D HN 0.071 nan 8.370 nan 0.000 0.456 146 S N -0.732 115.001 115.700 0.056 0.000 2.383 146 S HA -0.103 4.361 4.470 -0.010 0.000 0.227 146 S C 1.995 176.607 174.600 0.020 0.000 1.026 146 S CA 0.878 59.103 58.200 0.042 0.000 0.981 146 S CB -0.222 63.012 63.200 0.057 0.000 0.818 146 S HN 0.348 nan 8.310 nan 0.000 0.472 147 M N 0.938 120.541 119.600 0.006 0.000 2.159 147 M HA -0.078 4.396 4.480 -0.010 0.000 0.263 147 M C 2.423 178.720 176.300 -0.005 0.000 1.063 147 M CA 1.352 56.650 55.300 -0.002 0.000 1.110 147 M CB -0.490 32.086 32.600 -0.039 0.000 1.374 147 M HN 0.391 nan 8.290 nan 0.000 0.411 148 A N -0.305 122.509 122.820 -0.010 0.000 1.929 148 A HA -0.095 4.219 4.320 -0.010 0.000 0.216 148 A C 2.160 179.755 177.584 0.018 0.000 1.176 148 A CA 1.825 53.859 52.037 -0.005 0.000 0.628 148 A CB -0.957 18.023 19.000 -0.034 0.000 0.816 148 A HN 0.401 nan 8.150 nan 0.000 0.444 149 T N 0.256 114.827 114.554 0.028 0.000 2.915 149 T HA 0.028 4.372 4.350 -0.010 0.000 0.269 149 T C 1.239 175.968 174.700 0.048 0.000 1.071 149 T CA 0.982 63.113 62.100 0.052 0.000 1.132 149 T CB -0.248 68.659 68.868 0.065 0.000 0.878 149 T HN 0.332 nan 8.240 nan 0.000 0.479 150 L N 0.559 121.805 121.223 0.040 0.000 2.685 150 L HA 0.317 4.651 4.340 -0.010 0.000 0.233 150 L C 1.587 178.487 176.870 0.049 0.000 1.173 150 L CA -0.182 54.684 54.840 0.043 0.000 0.961 150 L CB -0.382 41.702 42.059 0.041 0.000 1.217 150 L HN 0.366 nan 8.230 nan 0.000 0.478 151 G N 1.131 109.963 108.800 0.054 0.000 2.283 151 G HA2 -0.293 3.661 3.960 -0.010 0.000 0.280 151 G HA3 -0.293 3.661 3.960 -0.010 0.000 0.280 151 G C 0.141 175.086 174.900 0.076 0.000 1.029 151 G CA 0.134 45.284 45.100 0.083 0.000 0.840 151 G HN 0.306 nan 8.290 nan 0.000 0.505 152 L N -0.194 121.042 121.223 0.022 0.000 2.350 152 L HA 0.597 4.931 4.340 -0.010 0.000 0.275 152 L C 1.197 177.943 176.870 -0.207 0.000 1.099 152 L CA -0.361 54.443 54.840 -0.059 0.000 0.808 152 L CB 1.576 43.614 42.059 -0.034 0.000 1.149 152 L HN 0.244 nan 8.230 nan 0.000 0.442 153 A N 3.122 125.677 122.820 -0.440 0.000 2.981 153 A HA 0.560 4.874 4.320 -0.010 0.000 0.280 153 A C 0.309 177.525 177.584 -0.613 0.000 1.743 153 A CA -0.159 51.322 52.037 -0.926 0.000 1.430 153 A CB -0.643 17.687 19.000 -1.115 0.000 1.085 153 A HN 0.705 nan 8.150 nan 0.000 0.597 154 A N 1.510 124.017 122.820 -0.522 0.000 2.340 154 A HA 0.809 5.123 4.320 -0.010 0.000 0.331 154 A C -1.019 176.254 177.584 -0.518 0.000 1.140 154 A CA -0.468 51.315 52.037 -0.423 0.000 0.801 154 A CB 0.784 19.619 19.000 -0.274 0.000 1.234 154 A HN 0.626 nan 8.150 nan 0.000 0.469 155 Y N 0.121 120.335 120.300 -0.142 0.000 2.406 155 Y HA 0.541 5.085 4.550 -0.010 0.000 0.340 155 Y C 0.799 176.765 175.900 0.110 0.000 0.975 155 Y CA -0.525 57.561 58.100 -0.024 0.000 1.056 155 Y CB 2.445 40.967 38.460 0.102 0.000 1.210 155 Y HN 0.837 nan 8.280 nan 0.000 0.448 156 G N 2.141 111.004 108.800 0.105 0.000 2.332 156 G HA2 0.471 4.425 3.960 -0.010 0.000 0.310 156 G HA3 0.471 4.425 3.960 -0.010 0.000 0.310 156 G C -1.808 173.099 174.900 0.012 0.000 1.123 156 G CA -0.292 44.902 45.100 0.156 0.000 0.873 156 G HN 0.519 nan 8.290 nan 0.000 0.460 157 Y N 1.065 121.581 120.300 0.360 0.000 2.350 157 Y HA 0.629 5.173 4.550 -0.010 0.000 0.338 157 Y C 0.746 176.938 175.900 0.486 0.000 0.961 157 Y CA 0.195 58.479 58.100 0.306 0.000 1.100 157 Y CB 2.657 41.326 38.460 0.348 0.000 1.179 157 Y HN 0.872 nan 8.280 nan 0.000 0.454 158 G N 2.383 111.495 108.800 0.520 0.000 2.772 158 G HA2 0.599 4.553 3.960 -0.010 0.000 0.284 158 G HA3 0.599 4.553 3.960 -0.010 0.000 0.284 158 G C -1.719 173.410 174.900 0.381 0.000 1.217 158 G CA -0.808 44.622 45.100 0.551 0.000 0.831 158 G HN 0.420 nan 8.290 nan 0.000 0.523 159 I N 0.508 121.196 120.570 0.196 0.000 2.474 159 I HA 0.442 4.606 4.170 -0.010 0.000 0.294 159 I C 0.204 176.216 176.117 -0.175 0.000 1.005 159 I CA -0.736 60.573 61.300 0.014 0.000 1.113 159 I CB 2.298 40.140 38.000 -0.264 0.000 1.289 159 I HN 0.357 nan 8.210 nan 0.000 0.436 160 R N 5.927 126.428 120.500 0.002 0.000 2.608 160 R HA 0.245 4.579 4.340 -0.010 0.000 0.277 160 R C -1.278 175.072 176.300 0.084 0.000 1.341 160 R CA -0.429 55.706 56.100 0.059 0.000 1.199 160 R CB -0.004 30.305 30.300 0.015 0.000 1.156 160 R HN 0.396 nan 8.270 nan 0.000 0.558 161 Y N 1.519 121.976 120.300 0.262 0.000 2.425 161 Y HA -0.067 4.477 4.550 -0.011 0.000 0.331 161 Y C 1.560 177.639 175.900 0.298 0.000 1.157 161 Y CA 0.036 58.282 58.100 0.243 0.000 1.372 161 Y CB 0.863 39.440 38.460 0.195 0.000 1.253 161 Y HN 0.594 nan 8.280 nan 0.000 0.536 162 E N 1.879 122.273 120.200 0.324 0.000 2.152 162 E HA -0.033 4.311 4.350 -0.010 0.000 0.192 162 E C -0.772 175.706 176.600 -0.202 0.000 0.983 162 E CA 0.645 57.039 56.400 -0.010 0.000 0.818 162 E CB 0.198 29.823 29.700 -0.125 0.000 0.758 162 E HN 0.492 nan 8.360 nan 0.000 0.467 163 F N -0.333 119.835 119.950 0.363 0.000 2.507 163 F HA 0.439 4.959 4.527 -0.010 0.000 0.328 163 F C 0.743 176.628 175.800 0.141 0.000 1.136 163 F CA -0.877 57.292 58.000 0.281 0.000 0.930 163 F CB 1.846 40.941 39.000 0.160 0.000 1.166 163 F HN -0.114 nan 8.300 nan 0.000 0.436 164 G N 1.835 110.728 108.800 0.155 0.000 2.531 164 G HA2 0.352 4.306 3.960 -0.010 0.000 0.253 164 G HA3 0.352 4.306 3.960 -0.010 0.000 0.253 164 G C -0.506 174.340 174.900 -0.089 0.000 1.439 164 G CA -0.693 44.341 45.100 -0.110 0.000 1.056 164 G HN 0.557 nan 8.290 nan 0.000 0.555 165 I N 0.872 121.303 120.570 -0.232 0.000 2.775 165 I HA 0.203 4.367 4.170 -0.010 0.000 0.290 165 I C 0.543 176.562 176.117 -0.164 0.000 1.203 165 I CA -1.080 60.066 61.300 -0.257 0.000 1.433 165 I CB -0.269 37.476 38.000 -0.425 0.000 1.354 165 I HN 0.334 nan 8.210 nan 0.000 0.579 166 F N 6.366 126.328 119.950 0.019 0.000 2.595 166 F HA 0.254 4.775 4.527 -0.010 0.000 0.359 166 F C 0.455 176.308 175.800 0.089 0.000 1.147 166 F CA -0.549 57.488 58.000 0.061 0.000 1.341 166 F CB -0.313 38.712 39.000 0.041 0.000 1.104 166 F HN 0.428 nan 8.300 nan 0.000 0.603 167 N N 2.345 121.235 118.700 0.317 0.000 2.488 167 N HA 0.065 4.798 4.740 -0.010 0.000 0.274 167 N C -0.859 174.893 175.510 0.404 0.000 1.111 167 N CA -0.316 52.887 53.050 0.255 0.000 0.974 167 N CB 1.235 39.859 38.487 0.227 0.000 1.089 167 N HN 0.762 nan 8.380 nan 0.000 0.465 168 Q N 2.417 122.425 119.800 0.347 0.000 2.278 168 Q HA 0.184 4.518 4.340 -0.010 0.000 0.257 168 Q C -0.978 175.194 176.000 0.286 0.000 0.928 168 Q CA -0.407 55.636 55.803 0.399 0.000 0.932 168 Q CB 0.723 29.704 28.738 0.406 0.000 1.221 168 Q HN 0.222 nan 8.270 nan 0.000 0.434 169 K N 4.112 124.654 120.400 0.237 0.000 2.259 169 K HA 0.483 4.796 4.320 -0.010 0.000 0.252 169 K C -0.712 175.983 176.600 0.159 0.000 0.936 169 K CA -0.867 55.533 56.287 0.189 0.000 0.810 169 K CB 1.600 34.191 32.500 0.152 0.000 1.143 169 K HN 0.634 nan 8.250 nan 0.000 0.427 170 I N 2.593 123.247 120.570 0.140 0.000 2.330 170 I HA 0.219 4.383 4.170 -0.010 0.000 0.289 170 I C -0.361 175.809 176.117 0.089 0.000 1.001 170 I CA -0.633 60.720 61.300 0.087 0.000 1.193 170 I CB 0.766 38.798 38.000 0.053 0.000 1.345 170 I HN 0.401 nan 8.210 nan 0.000 0.461 171 C N 3.953 123.317 119.300 0.107 0.000 2.322 171 C HA 0.597 5.051 4.460 -0.010 0.000 0.324 171 C C 1.156 176.248 174.990 0.171 0.000 1.249 171 C CA -0.501 58.586 59.018 0.116 0.000 1.453 171 C CB 0.545 28.347 27.740 0.103 0.000 2.145 171 C HN 1.084 nan 8.230 nan 0.000 0.466 172 G N 2.400 111.273 108.800 0.123 0.000 2.225 172 G HA2 0.120 4.074 3.960 -0.010 0.000 0.267 172 G HA3 0.120 4.074 3.960 -0.010 0.000 0.267 172 G C 1.071 175.998 174.900 0.046 0.000 1.024 172 G CA 0.932 46.117 45.100 0.143 0.000 0.784 172 G HN 2.411 nan 8.290 nan 0.000 0.507 173 G N -3.018 105.745 108.800 -0.062 0.000 2.179 173 G HA2 -0.283 3.671 3.960 -0.010 0.000 0.260 173 G HA3 -0.283 3.671 3.960 -0.010 0.000 0.260 173 G C 0.315 174.967 174.900 -0.415 0.000 0.977 173 G CA 0.709 45.645 45.100 -0.273 0.000 0.641 173 G HN 1.228 nan 8.290 nan 0.000 0.533 174 W N 0.411 121.652 121.300 -0.099 0.000 2.578 174 W HA 0.670 5.324 4.660 -0.010 0.000 0.346 174 W C 0.532 176.990 176.519 -0.102 0.000 1.075 174 W CA -0.978 56.302 57.345 -0.109 0.000 1.233 174 W CB 0.930 30.343 29.460 -0.079 0.000 1.358 174 W HN 0.230 nan 8.180 nan 0.000 0.574 175 Q N 2.985 122.878 119.800 0.155 0.000 2.304 175 Q HA 0.298 4.632 4.340 -0.010 0.000 0.260 175 Q C -0.648 175.401 176.000 0.082 0.000 0.965 175 Q CA 0.091 55.949 55.803 0.092 0.000 0.898 175 Q CB 0.592 29.374 28.738 0.074 0.000 1.196 175 Q HN 0.319 nan 8.270 nan 0.000 0.402 176 M N 3.152 122.797 119.600 0.075 0.000 2.393 176 M HA 0.391 4.865 4.480 -0.010 0.000 0.316 176 M C -1.151 175.157 176.300 0.013 0.000 1.087 176 M CA -0.677 54.638 55.300 0.025 0.000 0.937 176 M CB 1.818 34.448 32.600 0.050 0.000 1.668 176 M HN 0.619 nan 8.290 nan 0.000 0.438 177 E N 1.764 121.904 120.200 -0.100 0.000 2.191 177 E HA 0.518 4.862 4.350 -0.010 0.000 0.274 177 E C -0.711 175.885 176.600 -0.007 0.000 0.948 177 E CA -0.608 55.705 56.400 -0.145 0.000 0.802 177 E CB 1.761 31.117 29.700 -0.574 0.000 1.137 177 E HN 0.531 nan 8.360 nan 0.000 0.397 178 E N 0.811 121.085 120.200 0.124 0.000 2.314 178 E HA 0.697 5.041 4.350 -0.010 0.000 0.272 178 E C -1.131 175.568 176.600 0.164 0.000 0.884 178 E CA -1.461 55.003 56.400 0.108 0.000 0.753 178 E CB 1.428 31.198 29.700 0.117 0.000 1.213 178 E HN 0.475 nan 8.360 nan 0.000 0.432 179 A N 2.303 125.183 122.820 0.100 0.000 2.565 179 A HA 0.038 4.351 4.320 -0.010 0.000 0.237 179 A C -0.022 177.752 177.584 0.317 0.000 1.053 179 A CA 0.410 52.532 52.037 0.143 0.000 0.755 179 A CB -0.020 18.946 19.000 -0.057 0.000 0.980 179 A HN 0.685 nan 8.150 nan 0.000 0.506 180 D N 1.676 122.331 120.400 0.426 0.000 2.522 180 D HA 0.208 4.842 4.640 -0.010 0.000 0.218 180 D C -0.389 176.220 176.300 0.514 0.000 1.149 180 D CA -0.209 54.026 54.000 0.393 0.000 0.981 180 D CB 0.299 41.263 40.800 0.274 0.000 1.041 180 D HN 0.408 nan 8.370 nan 0.000 0.518 181 D N 3.568 124.228 120.400 0.433 0.000 2.801 181 D HA -0.025 4.609 4.640 -0.010 0.000 0.232 181 D C 1.256 177.657 176.300 0.169 0.000 1.128 181 D CA -0.546 53.598 54.000 0.240 0.000 1.003 181 D CB -0.188 40.766 40.800 0.257 0.000 1.110 181 D HN 0.521 nan 8.370 nan 0.000 0.477 182 W N 1.575 122.886 121.300 0.018 0.000 2.468 182 W HA -0.067 4.587 4.660 -0.010 0.000 0.262 182 W C 0.058 176.614 176.519 0.062 0.000 1.241 182 W CA 0.188 57.572 57.345 0.066 0.000 1.232 182 W CB -0.756 28.750 29.460 0.076 0.000 1.124 182 W HN 0.207 nan 8.180 nan 0.000 0.597 183 L N 0.823 121.655 121.223 -0.652 0.000 2.607 183 L HA 0.165 4.499 4.340 -0.010 0.000 0.228 183 L C 2.766 179.449 176.870 -0.312 0.000 1.123 183 L CA -0.022 54.414 54.840 -0.673 0.000 0.890 183 L CB -0.641 40.910 42.059 -0.847 0.000 1.103 183 L HN -0.110 nan 8.230 nan 0.000 0.468 184 R N 0.744 121.107 120.500 -0.228 0.000 2.133 184 R HA -0.255 4.079 4.340 -0.010 0.000 0.245 184 R C 1.426 177.525 176.300 -0.334 0.000 1.137 184 R CA 2.274 58.199 56.100 -0.293 0.000 0.947 184 R CB -0.279 29.801 30.300 -0.366 0.000 0.865 184 R HN 0.289 nan 8.270 nan 0.000 0.437 185 Y N -0.382 119.931 120.300 0.021 0.000 2.461 185 Y HA 0.314 4.858 4.550 -0.010 0.000 0.277 185 Y C 0.864 176.755 175.900 -0.014 0.000 1.182 185 Y CA 0.516 58.635 58.100 0.031 0.000 1.276 185 Y CB 0.641 39.228 38.460 0.212 0.000 1.087 185 Y HN 0.485 nan 8.280 nan 0.000 0.519 186 G N 1.221 110.061 108.800 0.067 0.000 2.699 186 G HA2 -0.214 3.740 3.960 -0.010 0.000 0.686 186 G HA3 -0.214 3.740 3.960 -0.010 0.000 0.686 186 G C -1.226 173.749 174.900 0.127 0.000 1.301 186 G CA -0.812 44.303 45.100 0.025 0.000 0.816 186 G HN 0.253 nan 8.290 nan 0.000 0.595 187 N N 1.220 119.941 118.700 0.034 0.000 2.573 187 N HA 0.546 5.280 4.740 -0.010 0.000 0.262 187 N C -0.613 174.895 175.510 -0.003 0.000 1.029 187 N CA -1.881 51.201 53.050 0.053 0.000 0.882 187 N CB 2.070 40.527 38.487 -0.051 0.000 1.204 187 N HN 0.265 nan 8.380 nan 0.000 0.519 188 P HA -0.010 nan 4.420 nan 0.000 0.226 188 P C 0.649 177.613 177.300 -0.559 0.000 1.153 188 P CA 0.761 63.543 63.100 -0.530 0.000 0.777 188 P CB 0.132 31.223 31.700 -1.015 0.000 0.794 189 W N 2.008 123.311 121.300 0.004 0.000 2.523 189 W HA 0.035 4.689 4.660 -0.010 0.000 0.278 189 W C 1.368 177.924 176.519 0.062 0.000 1.236 189 W CA -0.266 57.080 57.345 0.002 0.000 1.306 189 W CB -0.389 29.073 29.460 0.004 0.000 1.101 189 W HN 0.021 nan 8.180 nan 0.000 0.577 190 E N 1.754 122.123 120.200 0.281 0.000 2.349 190 E HA 0.306 4.650 4.350 -0.010 0.000 0.262 190 E C -0.573 176.193 176.600 0.275 0.000 1.088 190 E CA -0.685 55.892 56.400 0.295 0.000 0.899 190 E CB 1.227 31.115 29.700 0.313 0.000 1.044 190 E HN -0.319 nan 8.360 nan 0.000 0.420 191 K N 1.452 122.026 120.400 0.291 0.000 2.579 191 K HA 0.409 4.723 4.320 -0.010 0.000 0.250 191 K C -1.246 175.376 176.600 0.036 0.000 0.952 191 K CA -0.455 55.938 56.287 0.178 0.000 0.857 191 K CB 1.519 34.129 32.500 0.184 0.000 1.123 191 K HN 0.669 nan 8.250 nan 0.000 0.433 192 A N 4.076 126.833 122.820 -0.106 0.000 2.511 192 A HA 0.349 4.663 4.320 -0.010 0.000 0.242 192 A C -0.217 177.206 177.584 -0.269 0.000 1.069 192 A CA -0.089 51.635 52.037 -0.522 0.000 0.763 192 A CB 0.217 18.900 19.000 -0.529 0.000 1.001 192 A HN 0.665 nan 8.150 nan 0.000 0.498 193 R N 3.154 123.498 120.500 -0.260 0.000 2.886 193 R HA 0.195 4.529 4.340 -0.010 0.000 0.306 193 R C -2.279 174.023 176.300 0.003 0.000 1.300 193 R CA -1.692 54.397 56.100 -0.019 0.000 1.441 193 R CB 0.575 30.970 30.300 0.158 0.000 1.328 193 R HN 0.606 nan 8.270 nan 0.000 0.629 194 P HA -0.210 nan 4.420 nan 0.000 0.220 194 P C 0.841 178.118 177.300 -0.037 0.000 1.144 194 P CA 1.226 64.303 63.100 -0.039 0.000 0.800 194 P CB 0.378 32.045 31.700 -0.055 0.000 0.772 195 E N -0.295 119.831 120.200 -0.125 0.000 2.268 195 E HA -0.133 4.211 4.350 -0.010 0.000 0.195 195 E C 0.860 177.245 176.600 -0.359 0.000 0.995 195 E CA 0.839 57.068 56.400 -0.286 0.000 0.836 195 E CB -0.916 28.501 29.700 -0.472 0.000 0.763 195 E HN 0.299 nan 8.360 nan 0.000 0.491 196 F N 1.984 121.948 119.950 0.024 0.000 2.668 196 F HA 0.228 4.749 4.527 -0.010 0.000 0.297 196 F C 0.488 176.383 175.800 0.159 0.000 1.124 196 F CA -0.256 57.791 58.000 0.078 0.000 1.353 196 F CB 0.277 39.319 39.000 0.069 0.000 0.992 196 F HN -0.290 nan 8.300 nan 0.000 0.524 197 T N 2.828 117.524 114.554 0.236 0.000 2.928 197 T HA 0.233 4.576 4.350 -0.010 0.000 0.305 197 T C -0.187 174.616 174.700 0.172 0.000 1.035 197 T CA 0.362 62.601 62.100 0.232 0.000 1.145 197 T CB 0.539 69.492 68.868 0.142 0.000 0.963 197 T HN -0.167 nan 8.240 nan 0.000 0.545 198 L N 5.946 127.245 121.223 0.127 0.000 2.354 198 L HA 0.581 4.915 4.340 -0.010 0.000 0.269 198 L C -2.167 174.659 176.870 -0.072 0.000 1.005 198 L CA -2.536 52.302 54.840 -0.004 0.000 0.819 198 L CB 1.935 43.923 42.059 -0.118 0.000 1.311 198 L HN 0.387 nan 8.230 nan 0.000 0.423 199 P HA 0.373 nan 4.420 nan 0.000 0.288 199 P C -1.277 175.882 177.300 -0.235 0.000 1.267 199 P CA -0.396 62.617 63.100 -0.146 0.000 0.815 199 P CB 1.956 33.571 31.700 -0.142 0.000 0.989 200 V N 3.854 123.611 119.914 -0.262 0.000 2.604 200 V HA 0.331 4.444 4.120 -0.010 0.000 0.305 200 V C 0.208 176.053 176.094 -0.415 0.000 1.043 200 V CA -0.631 61.495 62.300 -0.290 0.000 0.888 200 V CB 1.532 33.250 31.823 -0.175 0.000 0.995 200 V HN 0.609 nan 8.190 nan 0.000 0.429 201 H N 3.686 122.584 119.070 -0.287 0.000 2.479 201 H HA 0.645 5.195 4.556 -0.010 0.000 0.335 201 H C -1.304 173.727 175.328 -0.495 0.000 1.142 201 H CA -0.152 55.651 56.048 -0.408 0.000 1.234 201 H CB 1.925 31.192 29.762 -0.826 0.000 1.503 201 H HN 0.483 nan 8.280 nan 0.000 0.510 202 F N 0.077 120.075 119.950 0.080 0.000 2.626 202 F HA 0.203 4.724 4.527 -0.010 0.000 0.311 202 F C -0.321 175.574 175.800 0.158 0.000 1.088 202 F CA -0.578 57.469 58.000 0.079 0.000 0.949 202 F CB 1.071 40.019 39.000 -0.086 0.000 1.322 202 F HN 0.540 nan 8.300 nan 0.000 0.461 203 Y N 0.206 120.804 120.300 0.497 0.000 2.904 203 Y HA -0.000 4.543 4.550 -0.010 0.000 0.466 203 Y C 1.354 177.503 175.900 0.414 0.000 1.202 203 Y CA 0.687 59.000 58.100 0.355 0.000 2.492 203 Y CB -1.894 36.708 38.460 0.235 0.000 1.237 203 Y HN 1.328 nan 8.280 nan 0.000 0.633 204 G N 0.684 109.760 108.800 0.461 0.000 2.598 204 G HA2 0.094 4.047 3.960 -0.010 0.000 0.244 204 G HA3 0.094 4.047 3.960 -0.010 0.000 0.244 204 G C -0.547 174.565 174.900 0.354 0.000 1.302 204 G CA 0.899 46.190 45.100 0.318 0.000 0.903 204 G HN 1.353 nan 8.290 nan 0.000 0.575 205 R N -2.510 118.190 120.500 0.333 0.000 2.752 205 R HA 0.708 5.041 4.340 -0.010 0.000 0.271 205 R C -1.282 175.150 176.300 0.220 0.000 1.026 205 R CA -0.996 55.244 56.100 0.234 0.000 0.901 205 R CB 1.332 31.715 30.300 0.139 0.000 1.243 205 R HN 0.849 nan 8.270 nan 0.000 0.463 206 V N 0.830 120.785 119.914 0.067 0.000 2.439 206 V HA 0.339 4.453 4.120 -0.010 0.000 0.282 206 V C -0.152 175.857 176.094 -0.142 0.000 1.039 206 V CA -0.448 61.812 62.300 -0.066 0.000 0.913 206 V CB 1.309 33.011 31.823 -0.201 0.000 0.983 206 V HN 0.711 nan 8.190 nan 0.000 0.460 207 E N 2.891 122.993 120.200 -0.164 0.000 2.165 207 E HA 0.375 4.718 4.350 -0.010 0.000 0.266 207 E C -1.075 175.398 176.600 -0.212 0.000 0.889 207 E CA -0.715 55.609 56.400 -0.126 0.000 0.756 207 E CB 0.836 30.521 29.700 -0.026 0.000 1.131 207 E HN 0.697 nan 8.360 nan 0.000 0.411 208 H N 2.958 122.043 119.070 0.026 0.000 2.690 208 H HA 0.160 4.710 4.556 -0.010 0.000 0.289 208 H C 0.337 175.675 175.328 0.016 0.000 1.089 208 H CA -0.129 55.929 56.048 0.017 0.000 1.299 208 H CB 0.805 30.573 29.762 0.009 0.000 1.405 208 H HN 0.555 nan 8.280 nan 0.000 0.463 209 T N -0.620 113.998 114.554 0.107 0.000 2.892 209 T HA 0.203 4.547 4.350 -0.010 0.000 0.280 209 T C 1.612 176.350 174.700 0.064 0.000 1.004 209 T CA -0.606 61.535 62.100 0.069 0.000 0.950 209 T CB 0.898 69.792 68.868 0.043 0.000 1.309 209 T HN 0.327 nan 8.240 nan 0.000 0.592 210 S N 0.251 115.977 115.700 0.043 0.000 2.369 210 S HA -0.119 4.344 4.470 -0.010 0.000 0.225 210 S C 0.905 175.527 174.600 0.036 0.000 1.043 210 S CA 1.400 59.621 58.200 0.034 0.000 1.074 210 S CB -0.503 62.712 63.200 0.026 0.000 0.962 210 S HN 0.728 nan 8.310 nan 0.000 0.433 211 Q N 0.221 120.043 119.800 0.036 0.000 2.462 211 Q HA 0.552 4.885 4.340 -0.010 0.000 0.247 211 Q C 0.032 176.058 176.000 0.044 0.000 1.044 211 Q CA 0.412 56.237 55.803 0.037 0.000 0.803 211 Q CB 0.807 29.563 28.738 0.030 0.000 1.190 211 Q HN 0.517 nan 8.270 nan 0.000 0.507 212 G N 1.675 110.510 108.800 0.059 0.000 2.787 212 G HA2 0.076 4.030 3.960 -0.010 0.000 0.685 212 G HA3 0.076 4.030 3.960 -0.010 0.000 0.685 212 G C -0.632 174.317 174.900 0.080 0.000 1.437 212 G CA -0.596 44.546 45.100 0.070 0.000 0.872 212 G HN 0.827 nan 8.290 nan 0.000 0.566 213 A N 0.714 123.581 122.820 0.078 0.000 2.286 213 A HA 0.824 5.138 4.320 -0.010 0.000 0.286 213 A C 0.458 178.024 177.584 -0.030 0.000 1.097 213 A CA 0.126 52.160 52.037 -0.006 0.000 0.821 213 A CB 0.833 19.803 19.000 -0.050 0.000 1.076 213 A HN 0.865 nan 8.150 nan 0.000 0.490 214 K N 0.321 120.686 120.400 -0.059 0.000 2.427 214 K HA 0.243 4.557 4.320 -0.010 0.000 0.252 214 K C -1.851 174.790 176.600 0.068 0.000 0.931 214 K CA -0.362 55.928 56.287 0.006 0.000 0.793 214 K CB 2.217 34.719 32.500 0.004 0.000 1.211 214 K HN 0.696 nan 8.250 nan 0.000 0.426 215 W N 5.277 126.501 121.300 -0.127 0.000 2.308 215 W HA 0.365 5.019 4.660 -0.010 0.000 0.311 215 W C -0.701 175.758 176.519 -0.100 0.000 1.088 215 W CA -0.834 56.440 57.345 -0.118 0.000 1.309 215 W CB 0.223 29.602 29.460 -0.135 0.000 1.229 215 W HN 0.365 nan 8.180 nan 0.000 0.427 216 V N 2.672 122.647 119.914 0.102 0.000 3.181 216 V HA 0.607 4.721 4.120 -0.010 0.000 0.314 216 V C -0.018 176.061 176.094 -0.026 0.000 1.173 216 V CA -0.872 61.407 62.300 -0.034 0.000 1.052 216 V CB 1.847 33.676 31.823 0.009 0.000 1.123 216 V HN 0.450 nan 8.190 nan 0.000 0.454 217 D N 0.344 120.730 120.400 -0.023 0.000 2.751 217 D HA -0.141 4.493 4.640 -0.010 0.000 0.233 217 D C 0.545 176.861 176.300 0.026 0.000 1.149 217 D CA 1.494 55.504 54.000 0.016 0.000 0.682 217 D CB -1.550 39.280 40.800 0.050 0.000 1.068 217 D HN 1.285 nan 8.370 nan 0.000 0.429 218 T N -2.877 111.647 114.554 -0.050 0.000 2.902 218 T HA 0.499 4.843 4.350 -0.010 0.000 0.280 218 T C 0.401 175.169 174.700 0.114 0.000 0.992 218 T CA -0.778 61.311 62.100 -0.019 0.000 1.015 218 T CB 2.104 70.788 68.868 -0.306 0.000 1.044 218 T HN 0.026 nan 8.240 nan 0.000 0.520 219 Q N 0.761 120.699 119.800 0.230 0.000 2.257 219 Q HA 0.563 4.897 4.340 -0.010 0.000 0.255 219 Q C -0.931 175.207 176.000 0.231 0.000 0.920 219 Q CA -0.891 55.076 55.803 0.273 0.000 0.927 219 Q CB 1.980 30.965 28.738 0.411 0.000 1.229 219 Q HN 0.507 nan 8.270 nan 0.000 0.433 220 V N 3.030 123.036 119.914 0.152 0.000 2.472 220 V HA 0.423 4.536 4.120 -0.010 0.000 0.290 220 V C -0.247 175.903 176.094 0.093 0.000 1.037 220 V CA -0.625 61.677 62.300 0.002 0.000 0.908 220 V CB 1.753 33.516 31.823 -0.101 0.000 0.985 220 V HN 0.490 nan 8.190 nan 0.000 0.454 221 V N 5.806 125.779 119.914 0.099 0.000 2.588 221 V HA 0.476 4.590 4.120 -0.010 0.000 0.304 221 V C -0.217 175.949 176.094 0.120 0.000 1.042 221 V CA -0.594 61.776 62.300 0.116 0.000 0.877 221 V CB 1.947 33.916 31.823 0.243 0.000 0.996 221 V HN 0.637 nan 8.190 nan 0.000 0.425 222 L N 3.577 124.862 121.223 0.103 0.000 2.375 222 L HA 0.751 5.085 4.340 -0.010 0.000 0.271 222 L C 0.456 177.497 176.870 0.285 0.000 1.107 222 L CA -0.367 54.550 54.840 0.129 0.000 0.806 222 L CB 1.360 43.475 42.059 0.093 0.000 1.146 222 L HN 0.748 nan 8.230 nan 0.000 0.447 223 A N 4.875 127.823 122.820 0.213 0.000 2.267 223 A HA 0.580 4.893 4.320 -0.010 0.000 0.315 223 A C -0.495 177.369 177.584 0.466 0.000 1.297 223 A CA -0.466 51.741 52.037 0.282 0.000 0.865 223 A CB 0.919 19.637 19.000 -0.469 0.000 1.165 223 A HN 0.785 nan 8.150 nan 0.000 0.513 224 M N 6.264 126.194 119.600 0.550 0.000 2.129 224 M HA 0.448 4.922 4.480 -0.010 0.000 0.348 224 M C -2.585 173.988 176.300 0.455 0.000 1.116 224 M CA -2.113 53.450 55.300 0.439 0.000 1.022 224 M CB 2.072 34.856 32.600 0.307 0.000 1.599 224 M HN 0.389 nan 8.290 nan 0.000 0.449 225 P HA 0.264 nan 4.420 nan 0.000 0.286 225 P C -1.966 175.259 177.300 -0.124 0.000 1.261 225 P CA -0.148 62.852 63.100 -0.168 0.000 0.821 225 P CB 0.801 32.135 31.700 -0.611 0.000 1.013 226 Y N 0.434 120.653 120.300 -0.135 0.000 2.338 226 Y HA 0.318 4.862 4.550 -0.010 0.000 0.333 226 Y C 0.136 176.005 175.900 -0.052 0.000 0.968 226 Y CA -0.281 57.803 58.100 -0.028 0.000 1.123 226 Y CB 1.438 39.918 38.460 0.033 0.000 1.165 226 Y HN 0.214 nan 8.280 nan 0.000 0.452 227 D N 1.884 122.368 120.400 0.140 0.000 2.168 227 D HA 0.435 5.069 4.640 -0.010 0.000 0.246 227 D C -0.609 175.897 176.300 0.343 0.000 1.050 227 D CA -0.219 53.901 54.000 0.200 0.000 0.857 227 D CB 1.803 42.744 40.800 0.235 0.000 1.169 227 D HN 0.363 nan 8.370 nan 0.000 0.453 228 T N 3.102 117.766 114.554 0.183 0.000 2.824 228 T HA 0.459 4.803 4.350 -0.010 0.000 0.282 228 T C -2.542 171.983 174.700 -0.291 0.000 0.993 228 T CA -1.426 60.686 62.100 0.020 0.000 0.967 228 T CB 2.105 70.983 68.868 0.017 0.000 0.960 228 T HN 0.182 nan 8.240 nan 0.000 0.441 229 P HA 0.323 nan 4.420 nan 0.000 0.275 229 P C -1.024 175.933 177.300 -0.572 0.000 1.227 229 P CA -0.394 62.008 63.100 -1.163 0.000 0.781 229 P CB 0.905 31.665 31.700 -1.566 0.000 0.906 230 V N 5.008 124.644 119.914 -0.463 0.000 2.340 230 V HA 0.258 4.372 4.120 -0.010 0.000 0.277 230 V C -2.034 173.919 176.094 -0.235 0.000 1.017 230 V CA -1.899 60.230 62.300 -0.285 0.000 0.820 230 V CB 1.396 33.097 31.823 -0.203 0.000 1.028 230 V HN 0.556 nan 8.190 nan 0.000 0.436 231 P HA 0.263 nan 4.420 nan 0.000 0.280 231 P C 0.325 177.572 177.300 -0.089 0.000 1.244 231 P CA 0.333 63.341 63.100 -0.153 0.000 0.784 231 P CB 1.765 33.372 31.700 -0.154 0.000 0.913 232 G N 2.342 111.107 108.800 -0.058 0.000 2.562 232 G HA2 0.160 4.113 3.960 -0.010 0.000 0.275 232 G HA3 0.160 4.113 3.960 -0.010 0.000 0.275 232 G C -1.198 173.713 174.900 0.018 0.000 1.196 232 G CA -0.640 44.456 45.100 -0.007 0.000 0.908 232 G HN 0.522 nan 8.290 nan 0.000 0.524 233 Y N 0.541 120.802 120.300 -0.065 0.000 2.584 233 Y HA 0.256 4.799 4.550 -0.011 0.000 0.351 233 Y C 1.228 177.090 175.900 -0.063 0.000 1.030 233 Y CA -0.210 57.847 58.100 -0.071 0.000 1.332 233 Y CB 0.128 38.545 38.460 -0.072 0.000 1.148 233 Y HN 0.696 nan 8.280 nan 0.000 0.528 234 R N 2.831 123.025 120.500 -0.511 0.000 3.610 234 R HA -0.319 4.015 4.340 -0.010 0.000 0.274 234 R C -0.009 176.156 176.300 -0.225 0.000 1.123 234 R CA 1.487 57.320 56.100 -0.445 0.000 0.747 234 R CB -1.871 28.008 30.300 -0.702 0.000 1.149 234 R HN 0.942 nan 8.270 nan 0.000 0.471 235 N N -1.473 117.147 118.700 -0.134 0.000 2.170 235 N HA 0.071 4.805 4.740 -0.010 0.000 0.222 235 N C -0.219 175.246 175.510 -0.075 0.000 1.218 235 N CA -0.376 52.626 53.050 -0.079 0.000 0.889 235 N CB 0.532 38.999 38.487 -0.033 0.000 1.083 235 N HN 0.083 nan 8.380 nan 0.000 0.520 236 N N -0.133 118.516 118.700 -0.085 0.000 2.753 236 N HA -0.134 4.600 4.740 -0.010 0.000 0.251 236 N C -0.918 174.551 175.510 -0.067 0.000 1.097 236 N CA 0.588 53.595 53.050 -0.071 0.000 0.786 236 N CB -1.240 37.205 38.487 -0.070 0.000 1.137 236 N HN 0.187 nan 8.380 nan 0.000 0.566 237 V N 1.125 121.003 119.914 -0.059 0.000 2.509 237 V HA 0.457 4.570 4.120 -0.010 0.000 0.284 237 V C 0.611 176.674 176.094 -0.051 0.000 1.047 237 V CA -0.461 61.811 62.300 -0.047 0.000 0.952 237 V CB 2.187 34.009 31.823 -0.002 0.000 0.988 237 V HN -0.042 nan 8.190 nan 0.000 0.469 238 V N 5.225 125.112 119.914 -0.045 0.000 2.462 238 V HA 0.423 4.537 4.120 -0.010 0.000 0.288 238 V C -0.141 175.929 176.094 -0.039 0.000 1.020 238 V CA -0.855 61.387 62.300 -0.098 0.000 0.857 238 V CB 1.473 33.221 31.823 -0.126 0.000 1.013 238 V HN 0.848 nan 8.190 nan 0.000 0.431 239 N N 1.928 120.579 118.700 -0.083 0.000 2.418 239 N HA 0.571 5.305 4.740 -0.010 0.000 0.283 239 N C -0.025 175.447 175.510 -0.063 0.000 1.267 239 N CA -0.273 52.751 53.050 -0.045 0.000 0.975 239 N CB 1.212 39.635 38.487 -0.108 0.000 1.167 239 N HN 0.575 nan 8.380 nan 0.000 0.581 240 T N 0.710 115.248 114.554 -0.027 0.000 2.863 240 T HA 0.443 4.787 4.350 -0.010 0.000 0.285 240 T C -0.294 174.362 174.700 -0.073 0.000 1.009 240 T CA -0.525 61.622 62.100 0.077 0.000 0.989 240 T CB 1.183 70.231 68.868 0.299 0.000 1.004 240 T HN 0.323 nan 8.240 nan 0.000 0.455 241 M N 3.586 123.108 119.600 -0.129 0.000 2.125 241 M HA 0.520 4.994 4.480 -0.010 0.000 0.321 241 M C -0.654 175.484 176.300 -0.269 0.000 0.983 241 M CA -0.753 54.380 55.300 -0.278 0.000 0.934 241 M CB 0.898 33.285 32.600 -0.356 0.000 1.542 241 M HN 0.496 nan 8.290 nan 0.000 0.424 242 R N 5.852 126.083 120.500 -0.448 0.000 2.265 242 R HA 0.636 4.970 4.340 -0.010 0.000 0.328 242 R C -1.954 174.058 176.300 -0.480 0.000 0.969 242 R CA -0.429 55.361 56.100 -0.516 0.000 0.832 242 R CB 0.917 30.724 30.300 -0.822 0.000 1.139 242 R HN 0.822 nan 8.270 nan 0.000 0.457 243 L N 5.148 126.189 121.223 -0.304 0.000 2.322 243 L HA 0.496 4.830 4.340 -0.010 0.000 0.281 243 L C -0.807 176.003 176.870 -0.101 0.000 1.014 243 L CA -0.930 53.829 54.840 -0.135 0.000 0.815 243 L CB 1.438 43.506 42.059 0.015 0.000 1.247 243 L HN 0.593 nan 8.230 nan 0.000 0.421 244 W N 1.835 123.245 121.300 0.183 0.000 2.316 244 W HA 0.478 5.132 4.660 -0.010 0.000 0.321 244 W C 0.556 177.293 176.519 0.364 0.000 1.203 244 W CA -0.189 57.286 57.345 0.218 0.000 1.214 244 W CB 1.390 30.823 29.460 -0.045 0.000 1.169 244 W HN 0.338 nan 8.180 nan 0.000 0.561 245 S N 1.729 117.838 115.700 0.682 0.000 2.500 245 S HA 0.768 5.232 4.470 -0.010 0.000 0.301 245 S C -0.503 174.435 174.600 0.564 0.000 1.092 245 S CA -0.730 57.772 58.200 0.503 0.000 1.030 245 S CB 0.629 64.062 63.200 0.388 0.000 1.031 245 S HN 0.544 nan 8.310 nan 0.000 0.483 246 A N 4.840 127.829 122.820 0.281 0.000 2.366 246 A HA 0.654 4.967 4.320 -0.010 0.000 0.272 246 A C -0.107 177.529 177.584 0.086 0.000 1.135 246 A CA -0.256 51.831 52.037 0.082 0.000 0.804 246 A CB 0.346 19.114 19.000 -0.385 0.000 1.064 246 A HN 0.652 nan 8.150 nan 0.000 0.499 247 K N 1.047 121.506 120.400 0.099 0.000 2.427 247 K HA 0.619 4.933 4.320 -0.010 0.000 0.252 247 K C -0.530 176.040 176.600 -0.051 0.000 0.931 247 K CA -0.407 55.904 56.287 0.040 0.000 0.793 247 K CB 2.242 34.802 32.500 0.100 0.000 1.211 247 K HN 0.836 nan 8.250 nan 0.000 0.426 248 A N 4.218 126.950 122.820 -0.147 0.000 2.340 248 A HA 0.516 4.830 4.320 -0.010 0.000 0.268 248 A C -2.138 175.381 177.584 -0.108 0.000 1.100 248 A CA -1.156 50.695 52.037 -0.310 0.000 0.803 248 A CB -0.140 18.523 19.000 -0.561 0.000 1.043 248 A HN 0.374 nan 8.150 nan 0.000 0.488 249 P HA 0.100 nan 4.420 nan 0.000 0.272 249 P C -0.020 177.352 177.300 0.120 0.000 1.230 249 P CA -0.416 62.726 63.100 0.069 0.000 0.788 249 P CB 0.636 32.403 31.700 0.113 0.000 0.949 250 N N 1.004 119.764 118.700 0.100 0.000 2.459 250 N HA -0.107 4.627 4.740 -0.010 0.000 0.181 250 N C 0.894 176.482 175.510 0.131 0.000 1.046 250 N CA 1.004 54.118 53.050 0.107 0.000 0.904 250 N CB -0.314 38.220 38.487 0.079 0.000 0.964 250 N HN 0.584 nan 8.380 nan 0.000 0.444 251 D N -0.768 119.713 120.400 0.135 0.000 2.328 251 D HA -0.076 4.558 4.640 -0.010 0.000 0.221 251 D C 0.260 176.642 176.300 0.137 0.000 1.072 251 D CA -0.558 53.510 54.000 0.114 0.000 0.850 251 D CB -0.741 40.109 40.800 0.083 0.000 0.922 251 D HN -0.020 nan 8.370 nan 0.000 0.516 252 F N 2.258 122.224 119.950 0.027 0.000 2.612 252 F HA 0.016 4.536 4.527 -0.010 0.000 0.389 252 F C 0.913 176.722 175.800 0.014 0.000 1.055 252 F CA 0.358 58.371 58.000 0.021 0.000 1.232 252 F CB -0.093 38.918 39.000 0.019 0.000 1.044 252 F HN -0.109 nan 8.300 nan 0.000 0.560 253 N N 2.156 120.489 118.700 -0.611 0.000 2.765 253 N HA -0.279 4.454 4.740 -0.010 0.000 0.248 253 N C -0.811 174.603 175.510 -0.161 0.000 1.063 253 N CA 1.434 54.217 53.050 -0.444 0.000 0.862 253 N CB -1.048 37.163 38.487 -0.459 0.000 1.145 253 N HN 0.513 nan 8.380 nan 0.000 0.581 262 Y N 0.518 120.817 120.300 -0.001 0.000 2.097 262 Y HA -0.118 4.426 4.550 -0.010 0.000 0.282 262 Y C 2.656 178.564 175.900 0.012 0.000 1.152 262 Y CA 2.332 60.435 58.100 0.005 0.000 1.136 262 Y CB -0.079 38.385 38.460 0.006 0.000 0.975 262 Y HN 0.272 nan 8.280 nan 0.000 0.498 263 I N 0.536 121.024 120.570 -0.136 0.000 2.163 263 I HA -0.330 3.834 4.170 -0.010 0.000 0.243 263 I C 2.403 178.412 176.117 -0.180 0.000 1.085 263 I CA 1.576 62.746 61.300 -0.217 0.000 1.347 263 I CB -1.454 36.529 38.000 -0.028 0.000 1.044 263 I HN 0.388 nan 8.210 nan 0.000 0.408 264 Q N 0.448 120.193 119.800 -0.092 0.000 2.096 264 Q HA -0.145 4.189 4.340 -0.010 0.000 0.204 264 Q C 2.388 178.344 176.000 -0.074 0.000 0.982 264 Q CA 1.925 57.691 55.803 -0.062 0.000 0.850 264 Q CB -0.382 28.337 28.738 -0.033 0.000 0.901 264 Q HN 0.565 nan 8.270 nan 0.000 0.422 265 A N -0.014 122.745 122.820 -0.103 0.000 1.902 265 A HA -0.134 4.180 4.320 -0.010 0.000 0.217 265 A C 2.403 179.948 177.584 -0.065 0.000 1.181 265 A CA 1.642 53.625 52.037 -0.090 0.000 0.623 265 A CB -0.608 18.340 19.000 -0.088 0.000 0.818 265 A HN 0.228 nan 8.150 nan 0.000 0.443 266 V N 0.125 119.932 119.914 -0.179 0.000 2.358 266 V HA -0.211 3.903 4.120 -0.010 0.000 0.246 266 V C 2.502 178.570 176.094 -0.044 0.000 1.047 266 V CA 1.751 63.969 62.300 -0.136 0.000 1.035 266 V CB -0.717 30.928 31.823 -0.296 0.000 0.658 266 V HN 0.563 nan 8.190 nan 0.000 0.452 267 L N -0.218 120.971 121.223 -0.057 0.000 2.141 267 L HA -0.133 4.201 4.340 -0.010 0.000 0.209 267 L C 1.924 178.812 176.870 0.031 0.000 1.094 267 L CA 1.193 56.024 54.840 -0.014 0.000 0.763 267 L CB -0.653 41.392 42.059 -0.023 0.000 0.908 267 L HN 0.328 nan 8.230 nan 0.000 0.437 268 D N 0.025 120.460 120.400 0.058 0.000 2.378 268 D HA -0.063 4.571 4.640 -0.010 0.000 0.227 268 D C 2.062 178.517 176.300 0.258 0.000 1.012 268 D CA 0.410 54.485 54.000 0.126 0.000 0.905 268 D CB 0.005 40.864 40.800 0.099 0.000 0.895 268 D HN 0.234 nan 8.370 nan 0.000 0.532 269 R N 0.222 120.845 120.500 0.204 0.000 2.193 269 R HA -0.034 4.300 4.340 -0.010 0.000 0.229 269 R C 1.684 177.958 176.300 -0.044 0.000 1.110 269 R CA 0.742 56.893 56.100 0.084 0.000 0.988 269 R CB -0.196 30.123 30.300 0.032 0.000 0.871 269 R HN 0.338 nan 8.270 nan 0.000 0.458 270 N N 0.334 119.045 118.700 0.018 0.000 2.149 270 N HA -0.186 4.547 4.740 -0.010 0.000 0.188 270 N C 1.248 176.754 175.510 -0.006 0.000 1.019 270 N CA 0.707 53.759 53.050 0.003 0.000 0.857 270 N CB -0.091 38.409 38.487 0.023 0.000 0.997 270 N HN 0.011 nan 8.380 nan 0.000 0.426 271 L N 1.194 122.437 121.223 0.033 0.000 2.013 271 L HA -0.196 4.138 4.340 -0.010 0.000 0.212 271 L C 2.447 179.297 176.870 -0.034 0.000 1.073 271 L CA 1.614 56.477 54.840 0.039 0.000 0.753 271 L CB -1.032 41.105 42.059 0.130 0.000 0.890 271 L HN 0.175 nan 8.230 nan 0.000 0.432 272 A N -1.074 121.664 122.820 -0.136 0.000 1.929 272 A HA -0.139 4.175 4.320 -0.010 0.000 0.216 272 A C 2.094 179.551 177.584 -0.211 0.000 1.176 272 A CA 1.186 53.078 52.037 -0.243 0.000 0.628 272 A CB -0.420 18.253 19.000 -0.545 0.000 0.816 272 A HN 0.532 nan 8.150 nan 0.000 0.444 273 E N 0.220 120.319 120.200 -0.168 0.000 2.482 273 E HA -0.075 4.269 4.350 -0.010 0.000 0.196 273 E C 0.857 177.418 176.600 -0.065 0.000 1.047 273 E CA 0.197 56.532 56.400 -0.110 0.000 0.869 273 E CB -0.162 29.500 29.700 -0.063 0.000 0.836 273 E HN 0.448 nan 8.360 nan 0.000 0.520 274 N N 1.053 119.721 118.700 -0.053 0.000 2.453 274 N HA -0.064 4.669 4.740 -0.010 0.000 0.183 274 N C 1.615 177.120 175.510 -0.009 0.000 1.041 274 N CA 0.534 53.582 53.050 -0.003 0.000 0.900 274 N CB -0.014 38.477 38.487 0.006 0.000 0.961 274 N HN 0.275 nan 8.380 nan 0.000 0.443 275 I N 0.365 120.868 120.570 -0.112 0.000 2.208 275 I HA -0.245 3.918 4.170 -0.010 0.000 0.245 275 I C 1.424 177.510 176.117 -0.052 0.000 1.097 275 I CA 1.240 62.445 61.300 -0.159 0.000 1.363 275 I CB -0.186 37.539 38.000 -0.458 0.000 1.051 275 I HN 0.125 nan 8.210 nan 0.000 0.413 276 S N -0.518 115.151 115.700 -0.052 0.000 2.583 276 S HA 0.184 4.648 4.470 -0.010 0.000 0.239 276 S C 1.469 176.209 174.600 0.233 0.000 0.966 276 S CA -0.541 57.721 58.200 0.103 0.000 0.973 276 S CB 0.260 63.509 63.200 0.083 0.000 0.794 276 S HN 0.206 nan 8.310 nan 0.000 0.463 277 R N 1.290 121.927 120.500 0.228 0.000 2.062 277 R HA 0.277 4.610 4.340 -0.010 0.000 0.229 277 R C 0.425 176.982 176.300 0.429 0.000 1.128 277 R CA 1.166 57.446 56.100 0.299 0.000 0.960 277 R CB -0.246 30.187 30.300 0.222 0.000 0.855 277 R HN 0.399 nan 8.270 nan 0.000 0.432 278 V N 0.159 120.279 119.914 0.344 0.000 3.012 278 V HA 0.370 4.484 4.120 -0.010 0.000 0.307 278 V C -1.640 174.425 176.094 -0.048 0.000 1.166 278 V CA -1.380 61.048 62.300 0.214 0.000 0.974 278 V CB 1.810 33.679 31.823 0.077 0.000 1.040 278 V HN 0.150 nan 8.190 nan 0.000 0.428 279 L N 6.251 127.217 121.223 -0.428 0.000 2.367 279 L HA 0.499 4.833 4.340 -0.010 0.000 0.275 279 L C -0.916 175.794 176.870 -0.267 0.000 1.129 279 L CA 0.397 54.770 54.840 -0.777 0.000 0.839 279 L CB 0.608 42.136 42.059 -0.886 0.000 1.133 279 L HN 0.679 nan 8.230 nan 0.000 0.453 280 Y N 6.753 126.962 120.300 -0.150 0.000 2.496 280 Y HA 0.216 4.759 4.550 -0.010 0.000 0.334 280 Y C -1.387 174.511 175.900 -0.004 0.000 1.080 280 Y CA -1.342 56.746 58.100 -0.019 0.000 1.355 280 Y CB 0.408 38.881 38.460 0.022 0.000 1.193 280 Y HN 0.567 nan 8.280 nan 0.000 0.523 281 P HA -0.005 nan 4.420 nan 0.000 0.249 281 P C -0.840 176.604 177.300 0.241 0.000 1.593 281 P CA 0.210 63.424 63.100 0.190 0.000 0.896 281 P CB 0.078 31.981 31.700 0.337 0.000 1.581 282 N N 1.210 120.058 118.700 0.248 0.000 2.456 282 N HA 0.190 4.924 4.740 -0.010 0.000 0.288 282 N C -0.758 174.907 175.510 0.258 0.000 1.059 282 N CA 0.034 53.257 53.050 0.289 0.000 0.946 282 N CB 1.314 40.014 38.487 0.354 0.000 1.150 282 N HN 0.058 nan 8.380 nan 0.000 0.479 283 D N 0.759 121.336 120.400 0.295 0.000 2.425 283 D HA 0.223 4.856 4.640 -0.010 0.000 0.240 283 D C -0.488 176.013 176.300 0.335 0.000 1.080 283 D CA -0.344 53.819 54.000 0.272 0.000 0.836 283 D CB 0.279 41.232 40.800 0.255 0.000 1.125 283 D HN 0.313 nan 8.370 nan 0.000 0.525 284 N N 3.161 122.027 118.700 0.277 0.000 2.714 284 N HA -0.246 4.488 4.740 -0.010 0.000 0.253 284 N C -1.405 174.338 175.510 0.387 0.000 1.024 284 N CA 0.737 53.940 53.050 0.255 0.000 0.726 284 N CB -0.792 37.796 38.487 0.168 0.000 0.908 284 N HN 0.375 nan 8.380 nan 0.000 0.542 285 F N 0.761 120.810 119.950 0.164 0.000 2.639 285 F HA 0.378 4.898 4.527 -0.010 0.000 0.326 285 F C -1.441 174.444 175.800 0.142 0.000 1.150 285 F CA -1.121 56.957 58.000 0.130 0.000 1.057 285 F CB 0.776 39.818 39.000 0.071 0.000 1.300 285 F HN -0.000 nan 8.300 nan 0.000 0.486 286 F N 6.008 125.531 119.950 -0.710 0.000 2.411 286 F HA 0.497 5.017 4.527 -0.010 0.000 0.350 286 F C -0.408 174.910 175.800 -0.803 0.000 1.114 286 F CA -0.142 57.489 58.000 -0.615 0.000 1.135 286 F CB 0.773 39.480 39.000 -0.487 0.000 1.120 286 F HN 0.601 nan 8.300 nan 0.000 0.495 287 E N 4.365 123.870 120.200 -1.158 0.000 2.186 287 E HA 0.303 4.647 4.350 -0.010 0.000 0.255 287 E C -0.146 175.678 176.600 -1.293 0.000 0.881 287 E CA -0.745 55.078 56.400 -0.962 0.000 0.752 287 E CB 1.258 30.773 29.700 -0.308 0.000 1.176 287 E HN 0.909 nan 8.360 nan 0.000 0.421 288 G N 5.316 113.267 108.800 -1.415 0.000 3.197 288 G HA2 0.021 3.975 3.960 -0.010 0.000 0.257 288 G HA3 0.021 3.975 3.960 -0.010 0.000 0.257 288 G C -0.065 174.747 174.900 -0.148 0.000 0.835 288 G CA -0.196 44.312 45.100 -0.987 0.000 2.001 288 G HN 0.200 nan 8.290 nan 0.000 0.625 289 K N 0.520 120.899 120.400 -0.034 0.000 2.130 289 K HA 0.186 4.500 4.320 -0.010 0.000 0.268 289 K C 0.993 177.733 176.600 0.233 0.000 0.983 289 K CA -0.669 55.690 56.287 0.120 0.000 0.893 289 K CB 2.210 34.778 32.500 0.114 0.000 1.066 289 K HN 0.449 nan 8.250 nan 0.000 0.450 290 E N 1.696 122.001 120.200 0.176 0.000 2.085 290 E HA -0.222 4.122 4.350 -0.010 0.000 0.194 290 E C 1.512 178.144 176.600 0.054 0.000 0.994 290 E CA 1.109 57.567 56.400 0.097 0.000 0.801 290 E CB 0.151 29.911 29.700 0.100 0.000 0.743 290 E HN 0.399 nan 8.360 nan 0.000 0.453 291 L N 1.312 122.606 121.223 0.119 0.000 2.079 291 L HA -0.173 4.161 4.340 -0.010 0.000 0.210 291 L C 2.440 179.398 176.870 0.147 0.000 1.081 291 L CA 1.807 56.731 54.840 0.142 0.000 0.752 291 L CB -0.503 41.708 42.059 0.253 0.000 0.896 291 L HN 0.016 nan 8.230 nan 0.000 0.433 292 R N -0.663 119.869 120.500 0.054 0.000 2.092 292 R HA -0.144 4.190 4.340 -0.010 0.000 0.231 292 R C 2.078 178.414 176.300 0.061 0.000 1.119 292 R CA 1.744 57.800 56.100 -0.074 0.000 0.970 292 R CB -0.927 29.118 30.300 -0.424 0.000 0.864 292 R HN 0.418 nan 8.270 nan 0.000 0.440 293 L N 0.770 121.942 121.223 -0.085 0.000 2.093 293 L HA -0.035 4.299 4.340 -0.010 0.000 0.208 293 L C 1.658 178.470 176.870 -0.097 0.000 1.085 293 L CA 1.862 56.447 54.840 -0.424 0.000 0.755 293 L CB -0.361 41.163 42.059 -0.892 0.000 0.904 293 L HN 0.135 nan 8.230 nan 0.000 0.435 294 K N -0.937 119.457 120.400 -0.010 0.000 2.057 294 K HA -0.185 4.128 4.320 -0.010 0.000 0.207 294 K C 2.074 178.836 176.600 0.271 0.000 1.049 294 K CA 1.744 58.101 56.287 0.118 0.000 0.931 294 K CB -0.179 32.212 32.500 -0.182 0.000 0.714 294 K HN 0.513 nan 8.250 nan 0.000 0.440 295 Q N 0.672 120.596 119.800 0.206 0.000 2.084 295 Q HA -0.186 4.148 4.340 -0.010 0.000 0.202 295 Q C 1.941 178.137 176.000 0.327 0.000 0.978 295 Q CA 1.413 57.395 55.803 0.299 0.000 0.844 295 Q CB -0.034 28.900 28.738 0.326 0.000 0.898 295 Q HN 0.388 nan 8.270 nan 0.000 0.426 296 E N -0.176 120.168 120.200 0.241 0.000 2.077 296 E HA -0.207 4.137 4.350 -0.010 0.000 0.193 296 E C 1.711 178.422 176.600 0.185 0.000 0.989 296 E CA 1.006 57.532 56.400 0.209 0.000 0.800 296 E CB -0.108 29.694 29.700 0.170 0.000 0.746 296 E HN 0.324 nan 8.360 nan 0.000 0.452 297 Y N 0.271 120.614 120.300 0.071 0.000 2.286 297 Y HA -0.170 4.374 4.550 -0.010 0.000 0.293 297 Y C 1.923 177.851 175.900 0.046 0.000 1.124 297 Y CA 0.825 58.917 58.100 -0.012 0.000 1.178 297 Y CB -0.334 38.080 38.460 -0.077 0.000 1.010 297 Y HN 0.007 nan 8.280 nan 0.000 0.536 298 F N -0.250 119.680 119.950 -0.032 0.000 2.091 298 F HA -0.240 4.281 4.527 -0.010 0.000 0.299 298 F C 2.470 178.114 175.800 -0.259 0.000 1.103 298 F CA 2.016 59.950 58.000 -0.110 0.000 1.228 298 F CB -1.064 38.026 39.000 0.151 0.000 0.984 298 F HN -0.059 nan 8.300 nan 0.000 0.477 299 V N -0.466 119.390 119.914 -0.096 0.000 2.427 299 V HA -0.193 3.921 4.120 -0.010 0.000 0.248 299 V C 2.185 178.115 176.094 -0.272 0.000 1.051 299 V CA 1.940 64.143 62.300 -0.162 0.000 1.048 299 V CB -0.392 31.538 31.823 0.179 0.000 0.666 299 V HN 0.254 nan 8.190 nan 0.000 0.456 300 V N 0.502 120.273 119.914 -0.239 0.000 2.307 300 V HA -0.173 3.941 4.120 -0.010 0.000 0.245 300 V C 2.829 178.666 176.094 -0.428 0.000 1.045 300 V CA 2.117 64.266 62.300 -0.252 0.000 1.024 300 V CB -1.114 30.627 31.823 -0.137 0.000 0.651 300 V HN 0.647 nan 8.190 nan 0.000 0.449 301 A N -0.103 122.291 122.820 -0.710 0.000 1.877 301 A HA -0.116 4.198 4.320 -0.010 0.000 0.216 301 A C 2.406 179.617 177.584 -0.623 0.000 1.186 301 A CA 2.167 53.775 52.037 -0.715 0.000 0.620 301 A CB -0.829 17.514 19.000 -1.094 0.000 0.822 301 A HN 0.563 nan 8.150 nan 0.000 0.443 302 A N -1.119 121.167 122.820 -0.891 0.000 1.898 302 A HA -0.056 4.257 4.320 -0.010 0.000 0.216 302 A C 2.315 179.403 177.584 -0.826 0.000 1.181 302 A CA 2.259 53.589 52.037 -1.179 0.000 0.620 302 A CB -1.285 16.324 19.000 -2.319 0.000 0.819 302 A HN 0.427 nan 8.150 nan 0.000 0.442 303 T N 0.541 114.734 114.554 -0.601 0.000 2.708 303 T HA -0.106 4.238 4.350 -0.010 0.000 0.266 303 T C 1.821 176.253 174.700 -0.448 0.000 1.037 303 T CA 1.465 63.324 62.100 -0.402 0.000 1.146 303 T CB -0.400 68.230 68.868 -0.398 0.000 0.865 303 T HN 0.340 nan 8.240 nan 0.000 0.435 304 L N 0.707 121.716 121.223 -0.358 0.000 2.083 304 L HA -0.169 4.165 4.340 -0.010 0.000 0.209 304 L C 2.895 179.655 176.870 -0.184 0.000 1.083 304 L CA 1.412 56.096 54.840 -0.260 0.000 0.752 304 L CB -0.522 41.425 42.059 -0.187 0.000 0.899 304 L HN 0.377 nan 8.230 nan 0.000 0.433 305 Q N -0.647 119.044 119.800 -0.182 0.000 2.119 305 Q HA -0.233 4.101 4.340 -0.010 0.000 0.201 305 Q C 1.748 177.729 176.000 -0.031 0.000 0.972 305 Q CA 1.559 57.310 55.803 -0.087 0.000 0.847 305 Q CB -0.078 28.598 28.738 -0.103 0.000 0.903 305 Q HN 0.392 nan 8.270 nan 0.000 0.433 306 D N 0.642 121.012 120.400 -0.050 0.000 2.117 306 D HA -0.100 4.534 4.640 -0.010 0.000 0.198 306 D C 1.689 177.951 176.300 -0.062 0.000 0.982 306 D CA 0.870 54.891 54.000 0.034 0.000 0.828 306 D CB -0.028 40.881 40.800 0.182 0.000 0.967 306 D HN 0.156 nan 8.370 nan 0.000 0.464 307 I N 0.260 120.678 120.570 -0.253 0.000 2.179 307 I HA -0.251 3.913 4.170 -0.010 0.000 0.242 307 I C 2.307 178.441 176.117 0.029 0.000 1.088 307 I CA 0.804 61.893 61.300 -0.352 0.000 1.357 307 I CB -0.159 37.472 38.000 -0.614 0.000 1.051 307 I HN 0.053 nan 8.210 nan 0.000 0.409 308 I N 0.181 120.826 120.570 0.124 0.000 2.252 308 I HA -0.275 3.889 4.170 -0.010 0.000 0.245 308 I C 2.784 179.080 176.117 0.298 0.000 1.102 308 I CA 1.047 62.544 61.300 0.328 0.000 1.385 308 I CB -0.455 37.688 38.000 0.238 0.000 1.064 308 I HN 0.217 nan 8.210 nan 0.000 0.414 309 R N 1.430 122.033 120.500 0.173 0.000 2.080 309 R HA -0.233 4.101 4.340 -0.010 0.000 0.236 309 R C 2.510 178.900 176.300 0.151 0.000 1.137 309 R CA 1.869 58.059 56.100 0.149 0.000 0.943 309 R CB -0.311 30.066 30.300 0.127 0.000 0.846 309 R HN 0.190 nan 8.270 nan 0.000 0.431 310 R N -0.604 119.982 120.500 0.142 0.000 2.105 310 R HA -0.179 4.155 4.340 -0.010 0.000 0.239 310 R C 2.190 178.599 176.300 0.183 0.000 1.135 310 R CA 1.758 57.944 56.100 0.144 0.000 0.967 310 R CB -0.393 29.978 30.300 0.117 0.000 0.861 310 R HN 0.311 nan 8.270 nan 0.000 0.442 311 F N 1.411 121.411 119.950 0.084 0.000 2.146 311 F HA -0.106 4.415 4.527 -0.010 0.000 0.298 311 F C 1.643 177.470 175.800 0.045 0.000 1.096 311 F CA 1.543 59.587 58.000 0.072 0.000 1.275 311 F CB -0.001 39.092 39.000 0.156 0.000 1.008 311 F HN -0.130 nan 8.300 nan 0.000 0.480 312 K N -0.372 119.979 120.400 -0.082 0.000 2.217 312 K HA -0.004 4.310 4.320 -0.010 0.000 0.202 312 K C 1.257 177.768 176.600 -0.148 0.000 1.051 312 K CA 1.150 57.307 56.287 -0.217 0.000 0.952 312 K CB -0.245 32.247 32.500 -0.013 0.000 0.736 312 K HN 0.086 nan 8.250 nan 0.000 0.453 313 S N 1.391 117.074 115.700 -0.028 0.000 2.699 313 S HA 0.142 4.606 4.470 -0.010 0.000 0.251 313 S C -0.221 174.424 174.600 0.075 0.000 1.179 313 S CA -0.320 57.907 58.200 0.046 0.000 1.200 313 S CB 0.217 63.481 63.200 0.108 0.000 0.848 313 S HN 0.094 nan 8.310 nan 0.000 0.472 325 N N 0.926 119.546 118.700 -0.133 0.000 3.083 325 N HA 0.277 5.010 4.740 -0.010 0.000 0.260 325 N C -0.117 175.453 175.510 0.100 0.000 1.163 325 N CA -0.148 52.912 53.050 0.017 0.000 1.060 325 N CB 0.020 38.525 38.487 0.029 0.000 1.345 325 N HN 0.082 nan 8.380 nan 0.000 0.515 326 F N 0.960 121.041 119.950 0.219 0.000 2.771 326 F HA 0.011 4.532 4.527 -0.010 0.000 0.299 326 F C 1.379 177.247 175.800 0.113 0.000 1.177 326 F CA 0.384 58.472 58.000 0.147 0.000 1.450 326 F CB 0.181 39.154 39.000 -0.045 0.000 1.114 326 F HN 0.429 nan 8.300 nan 0.000 0.587 327 D N 0.053 120.595 120.400 0.237 0.000 2.219 327 D HA -0.105 4.529 4.640 -0.010 0.000 0.205 327 D C 2.134 178.526 176.300 0.154 0.000 0.970 327 D CA 1.177 55.273 54.000 0.160 0.000 0.851 327 D CB -0.126 40.743 40.800 0.115 0.000 0.943 327 D HN 0.216 nan 8.370 nan 0.000 0.488 328 A N -0.738 122.199 122.820 0.195 0.000 2.275 328 A HA 0.118 4.432 4.320 -0.010 0.000 0.212 328 A C 1.518 179.210 177.584 0.181 0.000 1.201 328 A CA -0.326 51.820 52.037 0.181 0.000 0.843 328 A CB -0.774 18.341 19.000 0.192 0.000 0.873 328 A HN 0.217 nan 8.150 nan 0.000 0.492 329 F N 1.877 121.790 119.950 -0.063 0.000 2.091 329 F HA -0.125 4.396 4.527 -0.010 0.000 0.299 329 F C -0.835 174.851 175.800 -0.190 0.000 1.103 329 F CA 2.387 60.142 58.000 -0.408 0.000 1.228 329 F CB -0.535 38.244 39.000 -0.369 0.000 0.984 329 F HN 0.198 nan 8.300 nan 0.000 0.477 330 P HA -0.095 nan 4.420 nan 0.000 0.226 330 P C 0.698 177.957 177.300 -0.068 0.000 1.153 330 P CA 1.442 64.517 63.100 -0.043 0.000 0.777 330 P CB -0.039 31.663 31.700 0.003 0.000 0.794 331 D N -0.974 119.406 120.400 -0.034 0.000 2.323 331 D HA -0.016 4.618 4.640 -0.010 0.000 0.209 331 D C 1.477 177.765 176.300 -0.020 0.000 0.973 331 D CA 0.879 54.873 54.000 -0.010 0.000 0.874 331 D CB 0.134 40.950 40.800 0.026 0.000 0.930 331 D HN 0.137 nan 8.370 nan 0.000 0.521 332 K N 0.136 120.500 120.400 -0.059 0.000 2.373 332 K HA 0.216 4.529 4.320 -0.010 0.000 0.200 332 K C -0.032 176.485 176.600 -0.138 0.000 1.054 332 K CA 0.048 56.314 56.287 -0.036 0.000 1.065 332 K CB 2.290 34.876 32.500 0.143 0.000 0.886 332 K HN -0.055 nan 8.250 nan 0.000 0.546 333 V N 0.760 120.500 119.914 -0.291 0.000 2.760 333 V HA 0.659 4.772 4.120 -0.010 0.000 0.309 333 V C -1.171 174.836 176.094 -0.145 0.000 1.077 333 V CA -1.291 60.840 62.300 -0.281 0.000 0.910 333 V CB 1.943 33.307 31.823 -0.765 0.000 1.008 333 V HN 0.099 nan 8.190 nan 0.000 0.424 334 A N 5.307 128.103 122.820 -0.041 0.000 2.359 334 A HA 0.919 5.232 4.320 -0.010 0.000 0.303 334 A C -1.089 176.523 177.584 0.047 0.000 1.066 334 A CA -0.426 51.614 52.037 0.004 0.000 0.730 334 A CB 1.066 20.014 19.000 -0.086 0.000 1.211 334 A HN 0.757 nan 8.150 nan 0.000 0.439 335 I N 1.905 122.545 120.570 0.118 0.000 2.382 335 I HA 0.314 4.478 4.170 -0.010 0.000 0.286 335 I C -0.350 175.860 176.117 0.154 0.000 1.002 335 I CA -0.573 60.807 61.300 0.134 0.000 1.135 335 I CB 1.974 40.035 38.000 0.101 0.000 1.288 335 I HN 0.698 nan 8.210 nan 0.000 0.448 336 Q N 6.917 126.806 119.800 0.149 0.000 2.314 336 Q HA 0.507 4.840 4.340 -0.010 0.000 0.259 336 Q C -1.357 174.655 176.000 0.020 0.000 0.951 336 Q CA -0.264 55.661 55.803 0.203 0.000 0.909 336 Q CB 1.316 30.287 28.738 0.388 0.000 1.236 336 Q HN 0.571 nan 8.270 nan 0.000 0.444 337 L N 3.775 125.046 121.223 0.080 0.000 2.260 337 L HA 0.400 4.734 4.340 -0.010 0.000 0.289 337 L C 0.075 176.977 176.870 0.052 0.000 1.057 337 L CA -0.753 54.120 54.840 0.057 0.000 0.811 337 L CB 0.676 42.816 42.059 0.135 0.000 1.184 337 L HN 0.571 nan 8.230 nan 0.000 0.429 338 N N 3.568 122.215 118.700 -0.088 0.000 2.508 338 N HA 0.103 4.837 4.740 -0.010 0.000 0.253 338 N C -0.211 175.326 175.510 0.046 0.000 1.145 338 N CA 0.453 53.501 53.050 -0.003 0.000 0.973 338 N CB -0.079 38.304 38.487 -0.172 0.000 1.305 338 N HN 0.716 nan 8.380 nan 0.000 0.506 339 D N -0.492 120.031 120.400 0.206 0.000 4.199 339 D HA -0.251 4.382 4.640 -0.010 0.000 0.291 339 D C 0.429 176.844 176.300 0.192 0.000 2.213 339 D CA 1.865 55.985 54.000 0.201 0.000 1.174 339 D CB -0.462 40.238 40.800 -0.166 0.000 1.012 339 D HN 0.490 nan 8.370 nan 0.000 1.213 340 T N -3.120 111.483 114.554 0.081 0.000 3.100 340 T HA 0.086 4.430 4.350 -0.010 0.000 0.253 340 T C 1.476 176.263 174.700 0.145 0.000 1.118 340 T CA 1.443 63.567 62.100 0.041 0.000 1.058 340 T CB -0.487 68.374 68.868 -0.011 0.000 0.953 340 T HN 0.519 nan 8.240 nan 0.000 0.515 341 H N 2.654 121.814 119.070 0.150 0.000 2.394 341 H HA -0.027 4.523 4.556 -0.010 0.000 0.297 341 H C -0.772 174.645 175.328 0.149 0.000 1.113 341 H CA 1.176 57.326 56.048 0.171 0.000 1.277 341 H CB -0.771 29.092 29.762 0.168 0.000 1.370 341 H HN 0.455 nan 8.280 nan 0.000 0.506 342 P HA 0.092 nan 4.420 nan 0.000 0.266 342 P C 0.763 178.110 177.300 0.078 0.000 1.561 342 P CA 0.384 63.567 63.100 0.137 0.000 1.089 342 P CB 0.500 32.270 31.700 0.117 0.000 1.534 343 S N 0.048 115.788 115.700 0.066 0.000 2.440 343 S HA -0.140 4.324 4.470 -0.010 0.000 0.238 343 S C 1.781 176.385 174.600 0.007 0.000 1.010 343 S CA 0.826 59.024 58.200 -0.002 0.000 0.972 343 S CB -1.505 61.669 63.200 -0.043 0.000 0.774 343 S HN 0.156 nan 8.310 nan 0.000 0.501 344 L N 0.900 122.141 121.223 0.031 0.000 2.549 344 L HA 0.044 4.378 4.340 -0.010 0.000 0.229 344 L C 2.861 179.769 176.870 0.063 0.000 1.158 344 L CA 0.580 55.440 54.840 0.034 0.000 0.842 344 L CB -0.722 41.356 42.059 0.032 0.000 0.952 344 L HN 0.482 nan 8.230 nan 0.000 0.452 345 A N 0.452 123.291 122.820 0.031 0.000 1.972 345 A HA -0.161 4.153 4.320 -0.010 0.000 0.219 345 A C 2.171 179.757 177.584 0.004 0.000 1.169 345 A CA 1.275 53.316 52.037 0.008 0.000 0.635 345 A CB -0.377 18.619 19.000 -0.007 0.000 0.810 345 A HN 0.364 nan 8.150 nan 0.000 0.446 346 I N 0.350 120.924 120.570 0.007 0.000 2.133 346 I HA -0.141 4.023 4.170 -0.010 0.000 0.238 346 I C -0.325 175.810 176.117 0.031 0.000 1.074 346 I CA 1.528 62.831 61.300 0.004 0.000 1.342 346 I CB -0.974 37.033 38.000 0.012 0.000 1.053 346 I HN 0.249 nan 8.210 nan 0.000 0.404 347 P HA -0.156 nan 4.420 nan 0.000 0.225 347 P C 1.243 178.555 177.300 0.021 0.000 1.156 347 P CA 1.430 64.558 63.100 0.047 0.000 0.787 347 P CB 0.066 31.812 31.700 0.076 0.000 0.802 348 E N 0.396 120.678 120.200 0.138 0.000 2.106 348 E HA -0.141 4.203 4.350 -0.010 0.000 0.192 348 E C 1.919 178.506 176.600 -0.022 0.000 0.984 348 E CA 0.628 57.128 56.400 0.167 0.000 0.806 348 E CB -1.181 28.672 29.700 0.255 0.000 0.750 348 E HN 0.008 nan 8.360 nan 0.000 0.458 349 L N -0.057 121.124 121.223 -0.070 0.000 2.056 349 L HA -0.066 4.267 4.340 -0.010 0.000 0.207 349 L C 2.044 178.774 176.870 -0.234 0.000 1.078 349 L CA 1.691 56.432 54.840 -0.166 0.000 0.749 349 L CB -0.520 41.444 42.059 -0.158 0.000 0.901 349 L HN 0.221 nan 8.230 nan 0.000 0.433 350 M N -0.742 118.734 119.600 -0.207 0.000 2.117 350 M HA -0.199 4.275 4.480 -0.010 0.000 0.262 350 M C 2.432 178.562 176.300 -0.283 0.000 1.065 350 M CA 1.530 56.653 55.300 -0.297 0.000 1.114 350 M CB -1.174 31.231 32.600 -0.325 0.000 1.361 350 M HN 0.339 nan 8.290 nan 0.000 0.408 351 R N 0.068 120.428 120.500 -0.234 0.000 2.083 351 R HA -0.134 4.200 4.340 -0.010 0.000 0.237 351 R C 2.055 178.250 176.300 -0.176 0.000 1.137 351 R CA 1.679 57.645 56.100 -0.224 0.000 0.951 351 R CB -0.192 29.922 30.300 -0.311 0.000 0.851 351 R HN 0.201 nan 8.270 nan 0.000 0.434 352 V N 1.479 121.289 119.914 -0.175 0.000 2.295 352 V HA -0.256 3.858 4.120 -0.010 0.000 0.246 352 V C 2.432 178.366 176.094 -0.266 0.000 1.049 352 V CA 1.772 63.965 62.300 -0.179 0.000 1.024 352 V CB -0.421 31.294 31.823 -0.179 0.000 0.648 352 V HN 0.346 nan 8.190 nan 0.000 0.447 353 L N -0.570 120.428 121.223 -0.375 0.000 2.046 353 L HA -0.142 4.192 4.340 -0.010 0.000 0.208 353 L C 2.389 179.078 176.870 -0.302 0.000 1.077 353 L CA 1.183 55.737 54.840 -0.476 0.000 0.747 353 L CB -0.640 41.093 42.059 -0.544 0.000 0.896 353 L HN 0.217 nan 8.230 nan 0.000 0.432 354 V N -0.605 119.171 119.914 -0.230 0.000 2.300 354 V HA -0.179 3.935 4.120 -0.010 0.000 0.241 354 V C 1.983 178.036 176.094 -0.069 0.000 1.034 354 V CA 1.674 63.900 62.300 -0.123 0.000 1.021 354 V CB -0.375 31.399 31.823 -0.082 0.000 0.662 354 V HN 0.335 nan 8.190 nan 0.000 0.458 355 D N 0.067 120.422 120.400 -0.074 0.000 2.149 355 D HA -0.026 4.608 4.640 -0.010 0.000 0.201 355 D C 2.036 178.314 176.300 -0.038 0.000 0.972 355 D CA 1.219 55.195 54.000 -0.041 0.000 0.835 355 D CB 0.022 40.796 40.800 -0.044 0.000 0.966 355 D HN 0.330 nan 8.370 nan 0.000 0.476 356 L N 0.124 121.309 121.223 -0.063 0.000 2.286 356 L HA 0.113 4.446 4.340 -0.010 0.000 0.203 356 L C 1.837 178.682 176.870 -0.041 0.000 1.068 356 L CA 0.506 55.320 54.840 -0.043 0.000 0.811 356 L CB 0.014 42.048 42.059 -0.042 0.000 0.989 356 L HN -0.188 nan 8.230 nan 0.000 0.467 357 E N 0.354 120.496 120.200 -0.097 0.000 2.442 357 E HA 0.027 4.371 4.350 -0.010 0.000 0.195 357 E C 0.158 176.733 176.600 -0.041 0.000 1.030 357 E CA -0.029 56.327 56.400 -0.073 0.000 0.869 357 E CB 0.309 29.857 29.700 -0.255 0.000 0.857 357 E HN 0.181 nan 8.360 nan 0.000 0.505 358 R N -0.318 120.150 120.500 -0.053 0.000 3.776 358 R HA -0.186 4.148 4.340 -0.010 0.000 0.312 358 R C -0.361 175.930 176.300 -0.016 0.000 1.181 358 R CA 0.248 56.337 56.100 -0.018 0.000 0.836 358 R CB -2.795 27.513 30.300 0.012 0.000 1.324 358 R HN 0.083 nan 8.270 nan 0.000 0.501 359 L N 2.117 123.302 121.223 -0.063 0.000 2.418 359 L HA 0.167 4.501 4.340 -0.010 0.000 0.265 359 L C 1.408 178.271 176.870 -0.011 0.000 1.143 359 L CA 0.146 54.959 54.840 -0.045 0.000 0.809 359 L CB 0.413 42.400 42.059 -0.120 0.000 1.124 359 L HN 0.121 nan 8.230 nan 0.000 0.456 360 D N 0.697 121.115 120.400 0.030 0.000 2.362 360 D HA -0.132 4.501 4.640 -0.010 0.000 0.242 360 D C 0.961 177.325 176.300 0.107 0.000 1.132 360 D CA -0.519 53.532 54.000 0.084 0.000 0.907 360 D CB 0.737 41.592 40.800 0.093 0.000 1.195 360 D HN 0.604 nan 8.370 nan 0.000 0.429 361 W N 2.145 123.448 121.300 0.004 0.000 2.301 361 W HA -0.260 4.394 4.660 -0.010 0.000 0.325 361 W C 1.062 177.624 176.519 0.072 0.000 1.250 361 W CA 2.089 59.443 57.345 0.015 0.000 1.261 361 W CB -0.379 29.070 29.460 -0.019 0.000 1.157 361 W HN 0.455 nan 8.180 nan 0.000 0.473 362 D N 0.285 120.894 120.400 0.349 0.000 2.133 362 D HA -0.227 4.407 4.640 -0.010 0.000 0.195 362 D C 1.874 178.275 176.300 0.169 0.000 0.997 362 D CA 2.207 56.379 54.000 0.287 0.000 0.840 362 D CB -0.496 40.440 40.800 0.226 0.000 0.947 362 D HN 0.085 nan 8.370 nan 0.000 0.452 363 K N 1.113 121.570 120.400 0.095 0.000 2.025 363 K HA 0.019 4.332 4.320 -0.010 0.000 0.207 363 K C 1.845 178.435 176.600 -0.017 0.000 1.049 363 K CA 1.516 57.831 56.287 0.047 0.000 0.933 363 K CB -0.630 31.893 32.500 0.039 0.000 0.714 363 K HN 0.006 nan 8.250 nan 0.000 0.438 364 A N 0.627 123.392 122.820 -0.091 0.000 1.908 364 A HA -0.188 4.125 4.320 -0.010 0.000 0.218 364 A C 2.276 179.761 177.584 -0.164 0.000 1.181 364 A CA 1.532 53.445 52.037 -0.207 0.000 0.627 364 A CB -1.235 17.571 19.000 -0.325 0.000 0.818 364 A HN 0.700 nan 8.150 nan 0.000 0.445 365 W N 0.607 121.692 121.300 -0.358 0.000 2.358 365 W HA -0.167 4.487 4.660 -0.010 0.000 0.303 365 W C 2.002 178.461 176.519 -0.101 0.000 1.208 365 W CA 1.781 58.969 57.345 -0.261 0.000 1.274 365 W CB -0.101 29.253 29.460 -0.175 0.000 1.138 365 W HN 0.605 nan 8.180 nan 0.000 0.515 366 E N 0.116 120.303 120.200 -0.021 0.000 2.058 366 E HA -0.232 4.112 4.350 -0.010 0.000 0.194 366 E C 2.044 178.562 176.600 -0.137 0.000 0.997 366 E CA 1.971 58.322 56.400 -0.081 0.000 0.801 366 E CB -0.329 29.383 29.700 0.019 0.000 0.746 366 E HN 0.066 nan 8.360 nan 0.000 0.450 367 V N 0.717 120.568 119.914 -0.105 0.000 2.343 367 V HA -0.256 3.858 4.120 -0.010 0.000 0.247 367 V C 2.410 178.436 176.094 -0.113 0.000 1.051 367 V CA 2.179 64.435 62.300 -0.073 0.000 1.036 367 V CB -0.753 31.019 31.823 -0.086 0.000 0.654 367 V HN 0.379 nan 8.190 nan 0.000 0.451 368 T N 0.041 114.459 114.554 -0.227 0.000 2.684 368 T HA -0.182 4.161 4.350 -0.010 0.000 0.267 368 T C 1.949 176.471 174.700 -0.298 0.000 1.036 368 T CA 1.791 63.734 62.100 -0.261 0.000 1.148 368 T CB -0.294 68.372 68.868 -0.337 0.000 0.863 368 T HN 0.279 nan 8.240 nan 0.000 0.436 369 V N 1.462 121.076 119.914 -0.500 0.000 2.343 369 V HA -0.181 3.933 4.120 -0.010 0.000 0.247 369 V C 2.343 178.385 176.094 -0.086 0.000 1.051 369 V CA 1.647 63.709 62.300 -0.397 0.000 1.036 369 V CB -0.503 31.003 31.823 -0.528 0.000 0.654 369 V HN 0.481 nan 8.190 nan 0.000 0.451 370 K N -0.507 119.826 120.400 -0.112 0.000 2.362 370 K HA -0.080 4.233 4.320 -0.010 0.000 0.200 370 K C 2.066 178.630 176.600 -0.061 0.000 1.046 370 K CA 1.496 57.700 56.287 -0.138 0.000 0.952 370 K CB -0.191 32.232 32.500 -0.128 0.000 0.753 370 K HN 0.471 nan 8.250 nan 0.000 0.466 371 T N 0.209 114.791 114.554 0.047 0.000 2.976 371 T HA 0.026 4.370 4.350 -0.010 0.000 0.257 371 T C 0.921 175.731 174.700 0.184 0.000 1.051 371 T CA 0.351 62.517 62.100 0.112 0.000 1.141 371 T CB 0.109 69.078 68.868 0.168 0.000 0.881 371 T HN 0.168 nan 8.240 nan 0.000 0.461 372 C N 2.405 121.796 119.300 0.152 0.000 2.401 372 C HA 0.874 5.328 4.460 -0.010 0.000 0.365 372 C C 0.591 175.643 174.990 0.103 0.000 1.250 372 C CA -1.249 57.842 59.018 0.121 0.000 2.131 372 C CB 0.055 27.805 27.740 0.016 0.000 2.445 372 C HN 0.586 nan 8.230 nan 0.000 0.550 373 A N 2.053 124.927 122.820 0.090 0.000 2.449 373 A HA 0.750 5.064 4.320 -0.010 0.000 0.302 373 A C -1.509 176.153 177.584 0.129 0.000 1.048 373 A CA -0.413 51.624 52.037 0.001 0.000 0.708 373 A CB 1.021 20.055 19.000 0.057 0.000 1.274 373 A HN 0.951 nan 8.150 nan 0.000 0.410 374 Y N 1.170 121.424 120.300 -0.077 0.000 2.376 374 Y HA 0.656 5.200 4.550 -0.010 0.000 0.340 374 Y C -0.529 175.358 175.900 -0.021 0.000 0.965 374 Y CA -0.309 57.761 58.100 -0.049 0.000 1.078 374 Y CB 2.092 40.483 38.460 -0.115 0.000 1.193 374 Y HN 0.564 nan 8.280 nan 0.000 0.452 375 T N 6.546 120.869 114.554 -0.386 0.000 2.770 375 T HA 0.198 4.541 4.350 -0.010 0.000 0.283 375 T C -0.848 173.364 174.700 -0.815 0.000 0.988 375 T CA -0.816 60.992 62.100 -0.487 0.000 0.957 375 T CB 0.462 69.286 68.868 -0.074 0.000 0.930 375 T HN 0.657 nan 8.240 nan 0.000 0.443 376 N N 1.795 120.029 118.700 -0.778 0.000 2.456 376 N HA 0.133 4.867 4.740 -0.010 0.000 0.288 376 N C -0.040 175.318 175.510 -0.254 0.000 1.059 376 N CA -0.334 52.494 53.050 -0.371 0.000 0.946 376 N CB 0.787 39.241 38.487 -0.055 0.000 1.150 376 N HN 0.664 nan 8.380 nan 0.000 0.479 377 H N 1.106 120.203 119.070 0.046 0.000 2.784 377 H HA 0.187 4.737 4.556 -0.011 0.000 0.273 377 H C -0.235 175.012 175.328 -0.135 0.000 1.112 377 H CA -0.042 55.981 56.048 -0.042 0.000 1.162 377 H CB 1.065 30.809 29.762 -0.030 0.000 1.586 377 H HN 0.532 nan 8.280 nan 0.000 0.548 378 T N 0.161 114.735 114.554 0.033 0.000 2.827 378 T HA 0.208 4.552 4.350 -0.010 0.000 0.328 378 T C 0.260 174.978 174.700 0.031 0.000 1.598 378 T CA -0.320 61.751 62.100 -0.048 0.000 1.043 378 T CB 1.150 69.991 68.868 -0.044 0.000 1.447 378 T HN -0.044 nan 8.240 nan 0.000 0.491 379 V N 1.371 121.265 119.914 -0.032 0.000 3.477 379 V HA 0.560 4.674 4.120 -0.010 0.000 0.297 379 V C 0.629 176.688 176.094 -0.059 0.000 1.433 379 V CA -0.089 62.184 62.300 -0.046 0.000 1.052 379 V CB -0.333 31.465 31.823 -0.042 0.000 0.895 379 V HN 0.688 nan 8.190 nan 0.000 0.438 380 L N 3.317 124.497 121.223 -0.073 0.000 2.462 380 L HA 0.220 4.554 4.340 -0.010 0.000 0.272 380 L C -0.443 176.436 176.870 0.015 0.000 1.166 380 L CA -1.015 53.810 54.840 -0.026 0.000 0.880 380 L CB 0.843 42.871 42.059 -0.051 0.000 1.142 380 L HN 0.124 nan 8.230 nan 0.000 0.473 381 P HA -0.225 nan 4.420 nan 0.000 0.216 381 P C 0.923 178.245 177.300 0.037 0.000 1.150 381 P CA 1.348 64.463 63.100 0.024 0.000 0.837 381 P CB 0.061 31.778 31.700 0.029 0.000 0.786 382 E N 0.296 120.553 120.200 0.095 0.000 2.409 382 E HA -0.055 4.288 4.350 -0.010 0.000 0.198 382 E C 1.652 178.288 176.600 0.060 0.000 1.024 382 E CA 1.078 57.545 56.400 0.112 0.000 0.861 382 E CB -0.680 29.190 29.700 0.282 0.000 0.788 382 E HN 0.224 nan 8.360 nan 0.000 0.521 383 A N 1.259 124.125 122.820 0.077 0.000 2.147 383 A HA 0.230 4.544 4.320 -0.010 0.000 0.211 383 A C 1.350 178.937 177.584 0.005 0.000 1.160 383 A CA -0.308 51.776 52.037 0.079 0.000 0.781 383 A CB -0.068 18.995 19.000 0.104 0.000 0.842 383 A HN 0.144 nan 8.150 nan 0.000 0.475 384 L N 1.495 122.680 121.223 -0.064 0.000 2.416 384 L HA 0.125 4.458 4.340 -0.010 0.000 0.272 384 L C -0.041 176.524 176.870 -0.508 0.000 1.161 384 L CA -0.124 54.615 54.840 -0.168 0.000 0.845 384 L CB 0.442 42.431 42.059 -0.116 0.000 1.119 384 L HN 0.327 nan 8.230 nan 0.000 0.464 385 E N 3.993 123.792 120.200 -0.667 0.000 2.223 385 E HA 0.239 4.583 4.350 -0.010 0.000 0.282 385 E C -0.620 175.355 176.600 -1.042 0.000 1.046 385 E CA -0.192 55.353 56.400 -1.425 0.000 0.857 385 E CB 0.736 29.934 29.700 -0.838 0.000 1.055 385 E HN 0.403 nan 8.360 nan 0.000 0.409 386 R N 3.735 123.482 120.500 -1.255 0.000 2.576 386 R HA 0.185 4.519 4.340 -0.010 0.000 0.283 386 R C -1.296 174.829 176.300 -0.290 0.000 1.493 386 R CA -0.560 55.243 56.100 -0.496 0.000 1.170 386 R CB 0.751 30.887 30.300 -0.273 0.000 1.189 386 R HN 0.450 nan 8.270 nan 0.000 0.542 387 W N 4.031 125.278 121.300 -0.089 0.000 2.266 387 W HA 0.263 4.917 4.660 -0.010 0.000 0.317 387 W C -1.913 174.575 176.519 -0.050 0.000 1.310 387 W CA -2.064 55.291 57.345 0.017 0.000 1.207 387 W CB 0.561 30.010 29.460 -0.019 0.000 1.199 387 W HN 0.225 nan 8.180 nan 0.000 0.544 388 P HA -0.073 nan 4.420 nan 0.000 0.267 388 P C 0.779 177.999 177.300 -0.132 0.000 1.205 388 P CA 0.170 63.221 63.100 -0.081 0.000 0.765 388 P CB 0.772 32.241 31.700 -0.385 0.000 0.828 389 V N 3.245 123.136 119.914 -0.037 0.000 2.469 389 V HA -0.283 3.831 4.120 -0.010 0.000 0.251 389 V C 2.085 178.183 176.094 0.006 0.000 1.064 389 V CA 2.480 64.785 62.300 0.008 0.000 1.066 389 V CB -1.725 30.166 31.823 0.113 0.000 0.667 389 V HN 0.757 nan 8.190 nan 0.000 0.461 390 H N -1.067 118.062 119.070 0.099 0.000 2.456 390 H HA -0.077 4.473 4.556 -0.010 0.000 0.296 390 H C 1.973 177.350 175.328 0.083 0.000 1.079 390 H CA 1.572 57.673 56.048 0.089 0.000 1.322 390 H CB -0.544 29.271 29.762 0.088 0.000 1.388 390 H HN 0.367 nan 8.280 nan 0.000 0.538 391 L N -0.099 121.025 121.223 -0.165 0.000 2.068 391 L HA -0.047 4.287 4.340 -0.010 0.000 0.204 391 L C 2.351 179.190 176.870 -0.052 0.000 1.076 391 L CA 0.853 55.678 54.840 -0.026 0.000 0.753 391 L CB -0.216 41.810 42.059 -0.056 0.000 0.910 391 L HN 0.311 nan 8.230 nan 0.000 0.439 392 L N -0.501 120.658 121.223 -0.106 0.000 2.083 392 L HA -0.238 4.095 4.340 -0.010 0.000 0.209 392 L C 2.493 179.304 176.870 -0.098 0.000 1.083 392 L CA 1.189 55.935 54.840 -0.156 0.000 0.752 392 L CB -0.485 41.468 42.059 -0.177 0.000 0.899 392 L HN 0.339 nan 8.230 nan 0.000 0.433 393 E N -0.246 119.939 120.200 -0.025 0.000 2.085 393 E HA -0.222 4.122 4.350 -0.010 0.000 0.194 393 E C 1.903 178.541 176.600 0.065 0.000 0.994 393 E CA 1.959 58.375 56.400 0.027 0.000 0.801 393 E CB 0.138 29.894 29.700 0.093 0.000 0.743 393 E HN 0.425 nan 8.360 nan 0.000 0.453 394 T N 0.583 115.200 114.554 0.104 0.000 2.894 394 T HA -0.051 4.293 4.350 -0.010 0.000 0.258 394 T C 1.672 176.488 174.700 0.193 0.000 1.043 394 T CA 0.598 62.809 62.100 0.185 0.000 1.141 394 T CB -0.073 68.937 68.868 0.237 0.000 0.873 394 T HN 0.071 nan 8.240 nan 0.000 0.449 395 L N 0.164 121.404 121.223 0.030 0.000 2.127 395 L HA 0.360 4.694 4.340 -0.010 0.000 0.203 395 L C 0.376 177.183 176.870 -0.105 0.000 1.080 395 L CA 1.600 56.342 54.840 -0.162 0.000 0.768 395 L CB 0.026 41.957 42.059 -0.212 0.000 0.924 395 L HN 0.165 nan 8.230 nan 0.000 0.444 396 L N 0.908 122.029 121.223 -0.170 0.000 2.551 396 L HA 0.292 4.625 4.340 -0.010 0.000 0.248 396 L C -1.651 175.039 176.870 -0.301 0.000 1.509 396 L CA -0.950 53.700 54.840 -0.318 0.000 0.842 396 L CB 0.899 42.607 42.059 -0.585 0.000 1.087 396 L HN -0.051 nan 8.230 nan 0.000 0.512 397 P HA -0.235 nan 4.420 nan 0.000 0.216 397 P C 1.461 178.567 177.300 -0.323 0.000 1.150 397 P CA 1.331 64.313 63.100 -0.198 0.000 0.843 397 P CB 0.382 32.042 31.700 -0.066 0.000 0.787 398 R N -0.337 119.787 120.500 -0.627 0.000 2.092 398 R HA -0.139 4.194 4.340 -0.010 0.000 0.231 398 R C 2.363 178.352 176.300 -0.518 0.000 1.119 398 R CA 1.559 57.295 56.100 -0.608 0.000 0.970 398 R CB -1.406 28.351 30.300 -0.904 0.000 0.864 398 R HN 0.227 nan 8.270 nan 0.000 0.440 399 H N -0.209 118.540 119.070 -0.534 0.000 2.389 399 H HA -0.046 4.504 4.556 -0.010 0.000 0.299 399 H C 1.782 176.929 175.328 -0.302 0.000 1.081 399 H CA 1.601 57.420 56.048 -0.381 0.000 1.345 399 H CB -0.091 29.409 29.762 -0.437 0.000 1.393 399 H HN 0.106 nan 8.280 nan 0.000 0.520 400 L N 0.505 121.595 121.223 -0.223 0.000 2.017 400 L HA -0.248 4.086 4.340 -0.010 0.000 0.208 400 L C 1.889 178.549 176.870 -0.349 0.000 1.073 400 L CA 1.611 56.249 54.840 -0.337 0.000 0.745 400 L CB -0.280 41.602 42.059 -0.296 0.000 0.894 400 L HN 0.445 nan 8.230 nan 0.000 0.432 401 Q N -0.272 119.438 119.800 -0.151 0.000 2.096 401 Q HA -0.242 4.092 4.340 -0.010 0.000 0.204 401 Q C 2.165 178.177 176.000 0.019 0.000 0.982 401 Q CA 1.689 57.499 55.803 0.012 0.000 0.850 401 Q CB -0.133 28.622 28.738 0.028 0.000 0.901 401 Q HN 0.568 nan 8.270 nan 0.000 0.422 402 I N 0.472 121.029 120.570 -0.020 0.000 2.315 402 I HA -0.265 3.899 4.170 -0.010 0.000 0.248 402 I C 2.179 178.362 176.117 0.111 0.000 1.117 402 I CA 1.016 62.384 61.300 0.114 0.000 1.404 402 I CB -0.169 37.845 38.000 0.024 0.000 1.071 402 I HN 0.200 nan 8.210 nan 0.000 0.419 403 I N -0.444 120.107 120.570 -0.030 0.000 2.315 403 I HA -0.307 3.857 4.170 -0.010 0.000 0.248 403 I C 2.395 178.522 176.117 0.016 0.000 1.117 403 I CA 1.397 62.670 61.300 -0.045 0.000 1.404 403 I CB -0.355 37.548 38.000 -0.162 0.000 1.071 403 I HN 0.155 nan 8.210 nan 0.000 0.419 404 Y N 0.840 121.140 120.300 -0.000 0.000 2.181 404 Y HA -0.259 4.285 4.550 -0.010 0.000 0.288 404 Y C 2.591 178.453 175.900 -0.064 0.000 1.146 404 Y CA 1.450 59.537 58.100 -0.021 0.000 1.164 404 Y CB -0.773 37.668 38.460 -0.032 0.000 0.982 404 Y HN 0.182 nan 8.280 nan 0.000 0.515 405 E N 0.459 120.692 120.200 0.056 0.000 2.077 405 E HA -0.150 4.194 4.350 -0.010 0.000 0.193 405 E C 2.047 178.550 176.600 -0.162 0.000 0.989 405 E CA 1.330 57.618 56.400 -0.187 0.000 0.800 405 E CB -0.540 28.878 29.700 -0.469 0.000 0.746 405 E HN 0.479 nan 8.360 nan 0.000 0.452 406 I N 0.569 121.145 120.570 0.010 0.000 2.179 406 I HA -0.272 3.891 4.170 -0.010 0.000 0.242 406 I C 2.280 178.394 176.117 -0.004 0.000 1.088 406 I CA 1.379 62.647 61.300 -0.055 0.000 1.357 406 I CB -0.405 37.568 38.000 -0.045 0.000 1.051 406 I HN 0.218 nan 8.210 nan 0.000 0.409 407 N N 0.793 119.538 118.700 0.076 0.000 2.104 407 N HA -0.275 4.459 4.740 -0.010 0.000 0.190 407 N C 1.873 177.468 175.510 0.142 0.000 1.024 407 N CA 1.592 54.739 53.050 0.162 0.000 0.853 407 N CB -0.127 38.472 38.487 0.187 0.000 1.008 407 N HN 0.292 nan 8.380 nan 0.000 0.424 408 Q N -0.086 119.741 119.800 0.046 0.000 2.030 408 Q HA -0.108 4.226 4.340 -0.010 0.000 0.204 408 Q C 2.012 177.994 176.000 -0.030 0.000 0.986 408 Q CA 1.498 57.291 55.803 -0.016 0.000 0.843 408 Q CB 0.011 28.697 28.738 -0.087 0.000 0.904 408 Q HN 0.392 nan 8.270 nan 0.000 0.420 409 R N -0.790 119.668 120.500 -0.069 0.000 2.115 409 R HA -0.111 4.223 4.340 -0.010 0.000 0.230 409 R C 2.136 178.461 176.300 0.042 0.000 1.111 409 R CA 1.123 57.182 56.100 -0.068 0.000 0.976 409 R CB -0.303 29.902 30.300 -0.158 0.000 0.870 409 R HN 0.273 nan 8.270 nan 0.000 0.445 410 F N 1.545 121.468 119.950 -0.045 0.000 2.113 410 F HA -0.074 4.447 4.527 -0.010 0.000 0.297 410 F C 1.838 177.660 175.800 0.037 0.000 1.103 410 F CA 1.289 59.312 58.000 0.037 0.000 1.248 410 F CB -0.198 38.855 39.000 0.088 0.000 0.999 410 F HN -0.135 nan 8.300 nan 0.000 0.475 411 L N 0.015 121.248 121.223 0.018 0.000 2.275 411 L HA -0.219 4.114 4.340 -0.010 0.000 0.215 411 L C 1.934 178.738 176.870 -0.110 0.000 1.119 411 L CA 1.391 56.178 54.840 -0.089 0.000 0.790 411 L CB -0.880 41.191 42.059 0.021 0.000 0.919 411 L HN 0.270 nan 8.230 nan 0.000 0.443 412 N N -0.172 118.481 118.700 -0.078 0.000 2.188 412 N HA -0.140 4.593 4.740 -0.010 0.000 0.184 412 N C 1.934 177.389 175.510 -0.090 0.000 1.018 412 N CA 0.620 53.627 53.050 -0.071 0.000 0.858 412 N CB 0.048 38.500 38.487 -0.058 0.000 0.989 412 N HN 0.260 nan 8.380 nan 0.000 0.426 413 R N 0.499 120.925 120.500 -0.122 0.000 2.092 413 R HA -0.025 4.309 4.340 -0.010 0.000 0.231 413 R C 2.125 178.325 176.300 -0.167 0.000 1.119 413 R CA 0.732 56.755 56.100 -0.128 0.000 0.970 413 R CB -0.122 30.110 30.300 -0.114 0.000 0.864 413 R HN 0.059 nan 8.270 nan 0.000 0.440 414 V N 0.671 120.435 119.914 -0.250 0.000 2.307 414 V HA -0.218 3.896 4.120 -0.010 0.000 0.245 414 V C 2.365 178.454 176.094 -0.008 0.000 1.045 414 V CA 1.946 64.163 62.300 -0.138 0.000 1.024 414 V CB -0.682 30.989 31.823 -0.253 0.000 0.651 414 V HN 0.409 nan 8.190 nan 0.000 0.449 415 A N 0.050 122.839 122.820 -0.051 0.000 1.940 415 A HA -0.134 4.180 4.320 -0.010 0.000 0.219 415 A C 2.352 179.914 177.584 -0.037 0.000 1.176 415 A CA 2.144 54.168 52.037 -0.022 0.000 0.631 415 A CB -0.672 18.306 19.000 -0.037 0.000 0.814 415 A HN 0.588 nan 8.150 nan 0.000 0.446 416 A N -0.792 121.986 122.820 -0.070 0.000 2.016 416 A HA 0.354 4.667 4.320 -0.010 0.000 0.217 416 A C 2.308 179.802 177.584 -0.151 0.000 1.162 416 A CA 1.583 53.567 52.037 -0.089 0.000 0.662 416 A CB -0.564 18.388 19.000 -0.080 0.000 0.812 416 A HN 0.938 nan 8.150 nan 0.000 0.450 417 A N -1.624 121.063 122.820 -0.221 0.000 1.984 417 A HA 0.419 4.733 4.320 -0.010 0.000 0.214 417 A C 0.415 177.536 177.584 -0.772 0.000 1.173 417 A CA 0.460 52.194 52.037 -0.506 0.000 0.673 417 A CB -0.085 18.547 19.000 -0.615 0.000 0.830 417 A HN 0.400 nan 8.150 nan 0.000 0.453 418 F N 0.010 119.912 119.950 -0.079 0.000 2.584 418 F HA 0.344 4.865 4.527 -0.010 0.000 0.328 418 F C -2.772 172.991 175.800 -0.062 0.000 1.407 418 F CA -2.870 55.088 58.000 -0.070 0.000 1.145 418 F CB 0.656 39.606 39.000 -0.083 0.000 1.440 418 F HN -0.070 nan 8.300 nan 0.000 0.580 419 P HA 0.135 nan 4.420 nan 0.000 0.261 419 P C 1.030 178.350 177.300 0.033 0.000 1.183 419 P CA 1.283 64.393 63.100 0.017 0.000 0.761 419 P CB 0.709 32.401 31.700 -0.014 0.000 0.785 420 G N 2.761 111.574 108.800 0.020 0.000 2.234 420 G HA2 -0.258 3.696 3.960 -0.010 0.000 0.260 420 G HA3 -0.258 3.696 3.960 -0.010 0.000 0.260 420 G C 0.404 175.314 174.900 0.017 0.000 0.987 420 G CA 0.089 45.198 45.100 0.015 0.000 0.625 420 G HN 0.607 nan 8.290 nan 0.000 0.532 421 D N 1.528 121.948 120.400 0.032 0.000 2.551 421 D HA 0.362 4.996 4.640 -0.010 0.000 0.223 421 D C 2.132 178.423 176.300 -0.014 0.000 1.144 421 D CA 0.433 54.438 54.000 0.007 0.000 1.025 421 D CB 0.332 41.136 40.800 0.007 0.000 1.085 421 D HN 0.623 nan 8.370 nan 0.000 0.506 422 V N 0.743 120.651 119.914 -0.011 0.000 2.490 422 V HA -0.164 3.949 4.120 -0.010 0.000 0.250 422 V C 1.792 177.874 176.094 -0.019 0.000 1.061 422 V CA 1.629 63.921 62.300 -0.013 0.000 1.064 422 V CB -0.459 31.360 31.823 -0.007 0.000 0.670 422 V HN 0.219 nan 8.190 nan 0.000 0.461 423 D N 0.453 120.838 120.400 -0.025 0.000 2.144 423 D HA -0.170 4.463 4.640 -0.010 0.000 0.200 423 D C 2.338 178.611 176.300 -0.044 0.000 0.978 423 D CA 1.370 55.355 54.000 -0.025 0.000 0.833 423 D CB -0.230 40.555 40.800 -0.024 0.000 0.961 423 D HN 0.464 nan 8.370 nan 0.000 0.470 424 R N -0.095 120.355 120.500 -0.085 0.000 2.081 424 R HA -0.094 4.240 4.340 -0.010 0.000 0.235 424 R C 2.254 178.487 176.300 -0.112 0.000 1.131 424 R CA 0.918 56.930 56.100 -0.146 0.000 0.960 424 R CB -0.261 29.888 30.300 -0.252 0.000 0.856 424 R HN 0.258 nan 8.270 nan 0.000 0.436 425 L N 0.664 121.846 121.223 -0.069 0.000 2.012 425 L HA -0.207 4.127 4.340 -0.010 0.000 0.210 425 L C 2.676 179.552 176.870 0.009 0.000 1.073 425 L CA 1.870 56.688 54.840 -0.036 0.000 0.748 425 L CB -0.504 41.543 42.059 -0.020 0.000 0.891 425 L HN 0.287 nan 8.230 nan 0.000 0.431 426 R N 0.099 120.610 120.500 0.017 0.000 2.115 426 R HA -0.085 4.248 4.340 -0.010 0.000 0.226 426 R C 2.106 178.458 176.300 0.086 0.000 1.100 426 R CA 0.965 57.096 56.100 0.053 0.000 0.980 426 R CB -0.567 29.758 30.300 0.041 0.000 0.875 426 R HN 0.195 nan 8.270 nan 0.000 0.445 427 R N 0.117 120.650 120.500 0.056 0.000 2.115 427 R HA 0.137 4.470 4.340 -0.010 0.000 0.226 427 R C 1.913 178.301 176.300 0.148 0.000 1.100 427 R CA 1.664 57.823 56.100 0.097 0.000 0.980 427 R CB -0.164 30.154 30.300 0.031 0.000 0.875 427 R HN 0.327 nan 8.270 nan 0.000 0.445 428 M N 0.121 119.734 119.600 0.021 0.000 2.502 428 M HA 0.057 4.531 4.480 -0.010 0.000 0.243 428 M C 0.823 177.283 176.300 0.268 0.000 1.130 428 M CA -0.033 55.237 55.300 -0.050 0.000 1.055 428 M CB 0.520 32.918 32.600 -0.338 0.000 1.457 428 M HN -0.091 nan 8.290 nan 0.000 0.488 429 S N 1.030 116.894 115.700 0.273 0.000 2.563 429 S HA 0.074 4.537 4.470 -0.010 0.000 0.284 429 S C 1.112 175.966 174.600 0.423 0.000 1.331 429 S CA -0.218 58.167 58.200 0.309 0.000 1.047 429 S CB 0.596 63.922 63.200 0.209 0.000 0.859 429 S HN 0.383 nan 8.310 nan 0.000 0.514 430 L N 3.765 125.186 121.223 0.330 0.000 2.395 430 L HA 0.137 4.470 4.340 -0.010 0.000 0.218 430 L C 0.181 177.157 176.870 0.177 0.000 1.130 430 L CA 0.229 55.224 54.840 0.258 0.000 0.826 430 L CB -0.302 41.849 42.059 0.153 0.000 0.941 430 L HN 0.386 nan 8.230 nan 0.000 0.451 431 V N 0.876 120.908 119.914 0.196 0.000 2.370 431 V HA 0.180 4.294 4.120 -0.010 0.000 0.279 431 V C 0.053 176.233 176.094 0.144 0.000 1.029 431 V CA -0.594 61.809 62.300 0.172 0.000 0.870 431 V CB 1.392 33.349 31.823 0.223 0.000 0.984 431 V HN 0.172 nan 8.190 nan 0.000 0.451 432 E N 3.188 123.453 120.200 0.107 0.000 2.197 432 E HA 0.440 4.784 4.350 -0.010 0.000 0.281 432 E C -0.699 175.952 176.600 0.084 0.000 0.995 432 E CA -0.570 55.883 56.400 0.090 0.000 0.808 432 E CB 2.019 31.752 29.700 0.055 0.000 1.093 432 E HN 0.604 nan 8.360 nan 0.000 0.394 433 E N 0.759 121.005 120.200 0.077 0.000 2.280 433 E HA 0.667 5.011 4.350 -0.010 0.000 0.261 433 E C 0.090 176.725 176.600 0.059 0.000 1.088 433 E CA 0.233 56.673 56.400 0.067 0.000 0.915 433 E CB 1.558 31.292 29.700 0.056 0.000 1.141 433 E HN 0.640 nan 8.360 nan 0.000 0.433 434 G N -0.246 108.587 108.800 0.055 0.000 2.278 434 G HA2 0.233 4.187 3.960 -0.010 0.000 0.265 434 G HA3 0.233 4.187 3.960 -0.010 0.000 0.265 434 G C 0.508 175.440 174.900 0.054 0.000 1.329 434 G CA 0.291 45.421 45.100 0.050 0.000 1.017 434 G HN 0.646 nan 8.290 nan 0.000 0.472 435 A N -0.878 121.973 122.820 0.051 0.000 1.873 435 A HA 0.226 4.540 4.320 -0.010 0.000 0.219 435 A C 1.768 179.394 177.584 0.070 0.000 1.269 435 A CA 4.474 56.543 52.037 0.053 0.000 0.671 435 A CB -1.330 17.701 19.000 0.051 0.000 0.842 435 A HN 2.419 nan 8.150 nan 0.000 0.460 436 V N -3.465 116.501 119.914 0.086 0.000 2.540 436 V HA 0.562 4.676 4.120 -0.010 0.000 0.302 436 V C -0.540 175.620 176.094 0.110 0.000 1.035 436 V CA -1.402 60.971 62.300 0.121 0.000 0.873 436 V CB 1.579 33.503 31.823 0.167 0.000 0.992 436 V HN 0.359 nan 8.190 nan 0.000 0.428 437 K N 4.137 124.609 120.400 0.120 0.000 2.382 437 K HA 0.478 4.792 4.320 -0.010 0.000 0.275 437 K C -0.360 176.300 176.600 0.101 0.000 1.009 437 K CA -0.127 56.227 56.287 0.111 0.000 0.970 437 K CB 0.823 33.402 32.500 0.132 0.000 0.934 437 K HN 0.743 nan 8.250 nan 0.000 0.479 438 R N 1.423 121.973 120.500 0.084 0.000 2.836 438 R HA 0.491 4.824 4.340 -0.010 0.000 0.269 438 R C -0.646 175.688 176.300 0.057 0.000 1.010 438 R CA -1.043 55.094 56.100 0.063 0.000 0.930 438 R CB 1.305 31.626 30.300 0.034 0.000 1.218 438 R HN 0.364 nan 8.270 nan 0.000 0.473 439 I N 1.847 122.445 120.570 0.047 0.000 2.354 439 I HA 0.174 4.338 4.170 -0.010 0.000 0.292 439 I C -0.254 175.844 176.117 -0.033 0.000 0.989 439 I CA -0.764 60.552 61.300 0.026 0.000 1.188 439 I CB 1.278 39.293 38.000 0.024 0.000 1.342 439 I HN 0.507 nan 8.210 nan 0.000 0.457 440 N N 7.044 125.695 118.700 -0.082 0.000 2.415 440 N HA 0.104 4.837 4.740 -0.010 0.000 0.246 440 N C 0.782 176.186 175.510 -0.176 0.000 1.078 440 N CA -0.329 52.588 53.050 -0.221 0.000 0.942 440 N CB 1.016 39.217 38.487 -0.478 0.000 1.140 440 N HN 0.377 nan 8.380 nan 0.000 0.501 441 M N 2.468 121.968 119.600 -0.167 0.000 2.296 441 M HA -0.042 4.432 4.480 -0.010 0.000 0.265 441 M C 1.895 178.054 176.300 -0.235 0.000 1.064 441 M CA 0.645 55.864 55.300 -0.134 0.000 1.109 441 M CB -1.507 31.057 32.600 -0.060 0.000 1.396 441 M HN 0.607 nan 8.290 nan 0.000 0.430 442 A N -0.499 122.178 122.820 -0.238 0.000 1.930 442 A HA -0.160 4.154 4.320 -0.010 0.000 0.217 442 A C 1.974 179.337 177.584 -0.369 0.000 1.175 442 A CA 1.371 53.237 52.037 -0.285 0.000 0.627 442 A CB -1.078 17.959 19.000 0.062 0.000 0.815 442 A HN 0.590 nan 8.150 nan 0.000 0.443 443 H N -1.069 117.782 119.070 -0.365 0.000 2.389 443 H HA -0.002 4.548 4.556 -0.010 0.000 0.299 443 H C 2.110 177.205 175.328 -0.389 0.000 1.081 443 H CA 0.896 56.678 56.048 -0.443 0.000 1.345 443 H CB -0.032 29.683 29.762 -0.078 0.000 1.393 443 H HN 0.377 nan 8.280 nan 0.000 0.520 444 L N 0.371 121.505 121.223 -0.147 0.000 2.046 444 L HA -0.227 4.107 4.340 -0.010 0.000 0.208 444 L C 2.207 178.943 176.870 -0.223 0.000 1.077 444 L CA 1.253 56.007 54.840 -0.143 0.000 0.747 444 L CB -0.351 41.651 42.059 -0.095 0.000 0.896 444 L HN 0.442 nan 8.230 nan 0.000 0.432 445 C N -0.013 119.055 119.300 -0.387 0.000 2.429 445 C HA -0.160 4.294 4.460 -0.010 0.000 0.277 445 C C 2.653 177.394 174.990 -0.415 0.000 1.262 445 C CA 0.569 59.282 59.018 -0.509 0.000 1.733 445 C CB -0.723 26.337 27.740 -1.133 0.000 2.010 445 C HN 0.512 nan 8.230 nan 0.000 0.483 446 I N 1.397 121.674 120.570 -0.489 0.000 2.252 446 I HA -0.186 3.978 4.170 -0.010 0.000 0.245 446 I C 2.766 178.740 176.117 -0.239 0.000 1.102 446 I CA 1.596 62.657 61.300 -0.399 0.000 1.385 446 I CB -0.593 37.022 38.000 -0.641 0.000 1.064 446 I HN 0.261 nan 8.210 nan 0.000 0.414 447 A N 0.649 123.296 122.820 -0.288 0.000 1.933 447 A HA -0.109 4.205 4.320 -0.010 0.000 0.218 447 A C 2.203 179.839 177.584 0.087 0.000 1.175 447 A CA 1.917 53.826 52.037 -0.214 0.000 0.628 447 A CB -1.147 17.504 19.000 -0.582 0.000 0.814 447 A HN 0.482 nan 8.150 nan 0.000 0.444 448 G N -1.177 107.616 108.800 -0.011 0.000 3.284 448 G HA2 0.420 4.374 3.960 -0.010 0.000 0.236 448 G HA3 0.420 4.374 3.960 -0.010 0.000 0.236 448 G C 0.063 174.806 174.900 -0.261 0.000 1.158 448 G CA 0.461 45.436 45.100 -0.209 0.000 0.774 448 G HN 0.339 nan 8.290 nan 0.000 0.545 449 S N -0.272 115.328 115.700 -0.166 0.000 2.536 449 S HA 0.319 4.782 4.470 -0.010 0.000 0.298 449 S C 0.729 175.274 174.600 -0.091 0.000 1.083 449 S CA -0.715 57.412 58.200 -0.122 0.000 0.995 449 S CB 1.271 64.407 63.200 -0.108 0.000 1.058 449 S HN 0.506 nan 8.310 nan 0.000 0.488 450 H N -0.005 119.025 119.070 -0.066 0.000 2.551 450 H HA 0.488 5.038 4.556 -0.010 0.000 0.266 450 H C 0.130 175.438 175.328 -0.032 0.000 0.964 450 H CA 0.264 56.297 56.048 -0.026 0.000 1.180 450 H CB 0.143 29.906 29.762 0.002 0.000 1.408 450 H HN 0.509 nan 8.280 nan 0.000 0.563 451 A N 0.950 123.454 122.820 -0.526 0.000 2.488 451 A HA 0.560 4.874 4.320 -0.010 0.000 0.298 451 A C -1.430 175.954 177.584 -0.333 0.000 1.044 451 A CA -0.576 51.210 52.037 -0.417 0.000 0.693 451 A CB 2.255 20.970 19.000 -0.475 0.000 1.272 451 A HN 0.098 nan 8.150 nan 0.000 0.402 452 V N 4.241 123.928 119.914 -0.379 0.000 2.525 452 V HA 0.525 4.639 4.120 -0.010 0.000 0.299 452 V C -0.797 175.119 176.094 -0.298 0.000 1.034 452 V CA -0.762 61.315 62.300 -0.372 0.000 0.863 452 V CB 1.768 33.224 31.823 -0.611 0.000 0.999 452 V HN 1.025 nan 8.190 nan 0.000 0.423 453 N N 3.158 121.702 118.700 -0.260 0.000 2.262 453 N HA 0.631 5.365 4.740 -0.010 0.000 0.295 453 N C -0.272 175.140 175.510 -0.162 0.000 1.161 453 N CA -0.376 52.563 53.050 -0.185 0.000 0.767 453 N CB 2.906 41.259 38.487 -0.223 0.000 1.499 453 N HN 0.625 nan 8.380 nan 0.000 0.476 454 G N -0.858 107.883 108.800 -0.099 0.000 2.511 454 G HA2 0.428 4.382 3.960 -0.010 0.000 0.316 454 G HA3 0.428 4.382 3.960 -0.010 0.000 0.316 454 G C 0.731 175.699 174.900 0.113 0.000 1.210 454 G CA -0.522 44.567 45.100 -0.019 0.000 0.969 454 G HN 0.623 nan 8.290 nan 0.000 0.492 455 V N -3.579 116.525 119.914 0.316 0.000 3.483 455 V HA 0.691 4.805 4.120 -0.010 0.000 0.301 455 V C 0.558 176.737 176.094 0.142 0.000 1.389 455 V CA 0.322 62.717 62.300 0.159 0.000 1.101 455 V CB -0.790 31.091 31.823 0.096 0.000 0.971 455 V HN 1.318 nan 8.190 nan 0.000 0.434 456 A N -0.098 122.813 122.820 0.151 0.000 2.594 456 A HA 0.631 4.944 4.320 -0.010 0.000 0.296 456 A C 0.690 178.324 177.584 0.082 0.000 1.061 456 A CA -0.136 51.967 52.037 0.109 0.000 0.689 456 A CB 1.224 20.277 19.000 0.088 0.000 1.280 456 A HN 0.033 nan 8.150 nan 0.000 0.406 457 R N 0.949 121.477 120.500 0.047 0.000 2.096 457 R HA -0.172 4.162 4.340 -0.010 0.000 0.240 457 R C 1.644 177.942 176.300 -0.003 0.000 1.139 457 R CA 2.346 58.452 56.100 0.009 0.000 0.952 457 R CB -0.227 30.074 30.300 0.001 0.000 0.854 457 R HN 0.825 nan 8.270 nan 0.000 0.436 458 I N 0.177 120.753 120.570 0.011 0.000 2.394 458 I HA -0.278 3.886 4.170 -0.010 0.000 0.251 458 I C 2.295 178.421 176.117 0.015 0.000 1.136 458 I CA 1.744 63.044 61.300 -0.002 0.000 1.425 458 I CB -0.198 37.800 38.000 -0.003 0.000 1.079 458 I HN 0.341 nan 8.210 nan 0.000 0.425 459 H N 0.219 119.258 119.070 -0.052 0.000 2.326 459 H HA -0.093 4.457 4.556 -0.011 0.000 0.301 459 H C 2.254 177.543 175.328 -0.065 0.000 1.081 459 H CA 2.122 58.133 56.048 -0.062 0.000 1.334 459 H CB -0.239 29.492 29.762 -0.051 0.000 1.385 459 H HN 0.220 nan 8.280 nan 0.000 0.504 460 S N 0.390 115.968 115.700 -0.203 0.000 2.399 460 S HA -0.119 4.345 4.470 -0.010 0.000 0.231 460 S C 1.872 176.347 174.600 -0.208 0.000 1.022 460 S CA 1.166 59.224 58.200 -0.237 0.000 0.983 460 S CB -0.060 63.075 63.200 -0.107 0.000 0.803 460 S HN 0.477 nan 8.310 nan 0.000 0.480 461 E N 1.211 121.313 120.200 -0.163 0.000 2.072 461 E HA 0.010 4.354 4.350 -0.010 0.000 0.191 461 E C 2.020 178.504 176.600 -0.194 0.000 0.985 461 E CA 0.630 56.926 56.400 -0.174 0.000 0.801 461 E CB -0.354 29.276 29.700 -0.117 0.000 0.750 461 E HN 0.505 nan 8.360 nan 0.000 0.452 462 I N 1.005 121.474 120.570 -0.169 0.000 2.286 462 I HA -0.271 3.893 4.170 -0.010 0.000 0.248 462 I C 2.394 178.380 176.117 -0.219 0.000 1.115 462 I CA 0.795 62.000 61.300 -0.159 0.000 1.392 462 I CB -0.251 37.686 38.000 -0.105 0.000 1.065 462 I HN 0.066 nan 8.210 nan 0.000 0.418 463 L N 0.417 121.467 121.223 -0.288 0.000 2.083 463 L HA -0.230 4.104 4.340 -0.010 0.000 0.209 463 L C 2.454 179.196 176.870 -0.213 0.000 1.083 463 L CA 1.578 56.250 54.840 -0.280 0.000 0.752 463 L CB -0.554 41.397 42.059 -0.180 0.000 0.899 463 L HN 0.227 nan 8.230 nan 0.000 0.433 464 K N -0.095 120.110 120.400 -0.325 0.000 2.228 464 K HA -0.077 4.237 4.320 -0.010 0.000 0.202 464 K C 1.966 178.366 176.600 -0.332 0.000 1.051 464 K CA 0.780 56.744 56.287 -0.538 0.000 0.960 464 K CB 0.107 32.028 32.500 -0.963 0.000 0.743 464 K HN 0.277 nan 8.250 nan 0.000 0.458 465 K N 0.088 120.348 120.400 -0.234 0.000 2.314 465 K HA -0.013 4.300 4.320 -0.010 0.000 0.198 465 K C 1.777 178.324 176.600 -0.089 0.000 1.045 465 K CA 1.292 57.497 56.287 -0.137 0.000 0.988 465 K CB 0.504 32.933 32.500 -0.119 0.000 0.783 465 K HN 0.251 nan 8.250 nan 0.000 0.484 466 T N -1.285 113.206 114.554 -0.104 0.000 3.257 466 T HA 0.066 4.410 4.350 -0.010 0.000 0.176 466 T C 1.922 176.588 174.700 -0.057 0.000 0.892 466 T CA -0.035 62.020 62.100 -0.075 0.000 1.147 466 T CB -0.791 68.025 68.868 -0.087 0.000 1.840 466 T HN 0.097 nan 8.240 nan 0.000 0.375 467 I N -0.739 119.743 120.570 -0.147 0.000 2.315 467 I HA 0.095 4.259 4.170 -0.010 0.000 0.251 467 I C 1.539 177.696 176.117 0.067 0.000 1.125 467 I CA 1.619 62.821 61.300 -0.162 0.000 1.392 467 I CB -0.662 37.065 38.000 -0.454 0.000 1.065 467 I HN 0.276 nan 8.210 nan 0.000 0.424 468 F N 0.790 120.807 119.950 0.112 0.000 2.735 468 F HA 0.303 4.824 4.527 -0.010 0.000 0.304 468 F C 2.047 177.926 175.800 0.132 0.000 1.119 468 F CA -0.655 57.477 58.000 0.221 0.000 1.280 468 F CB 0.184 39.307 39.000 0.205 0.000 0.994 468 F HN -0.062 nan 8.300 nan 0.000 0.520 469 K N 1.101 121.619 120.400 0.196 0.000 2.044 469 K HA -0.221 4.093 4.320 -0.010 0.000 0.210 469 K C 1.332 177.988 176.600 0.093 0.000 1.049 469 K CA 2.211 58.553 56.287 0.092 0.000 0.927 469 K CB -0.018 32.503 32.500 0.034 0.000 0.713 469 K HN 0.156 nan 8.250 nan 0.000 0.443 470 D N -0.145 120.288 120.400 0.056 0.000 2.117 470 D HA -0.158 4.475 4.640 -0.010 0.000 0.197 470 D C 1.822 178.025 176.300 -0.162 0.000 0.987 470 D CA 1.234 55.135 54.000 -0.165 0.000 0.829 470 D CB -0.284 40.320 40.800 -0.327 0.000 0.961 470 D HN 0.250 nan 8.370 nan 0.000 0.460 471 F N -0.092 119.927 119.950 0.115 0.000 2.186 471 F HA -0.146 4.375 4.527 -0.010 0.000 0.299 471 F C 2.344 178.293 175.800 0.247 0.000 1.090 471 F CA 0.509 58.656 58.000 0.244 0.000 1.307 471 F CB -0.638 38.570 39.000 0.346 0.000 1.019 471 F HN -0.034 nan 8.300 nan 0.000 0.489 472 Y N 1.475 121.752 120.300 -0.039 0.000 2.181 472 Y HA -0.195 4.349 4.550 -0.010 0.000 0.288 472 Y C 2.085 177.979 175.900 -0.010 0.000 1.146 472 Y CA 1.629 59.529 58.100 -0.333 0.000 1.164 472 Y CB -0.629 37.461 38.460 -0.617 0.000 0.982 472 Y HN 0.151 nan 8.280 nan 0.000 0.515 473 E N -0.455 119.691 120.200 -0.090 0.000 2.150 473 E HA -0.179 4.165 4.350 -0.010 0.000 0.193 473 E C 1.984 178.641 176.600 0.096 0.000 0.985 473 E CA 1.150 57.506 56.400 -0.073 0.000 0.814 473 E CB -0.255 29.446 29.700 0.001 0.000 0.752 473 E HN 0.428 nan 8.360 nan 0.000 0.466 474 L N 0.997 122.316 121.223 0.159 0.000 2.095 474 L HA -0.032 4.302 4.340 -0.010 0.000 0.204 474 L C 0.264 177.233 176.870 0.164 0.000 1.080 474 L CA 1.658 56.633 54.840 0.225 0.000 0.759 474 L CB 0.385 42.564 42.059 0.199 0.000 0.914 474 L HN -0.113 nan 8.230 nan 0.000 0.439 475 E N 0.104 120.403 120.200 0.166 0.000 3.132 475 E HA 0.184 4.528 4.350 -0.010 0.000 0.241 475 E C -2.005 174.574 176.600 -0.036 0.000 1.196 475 E CA -1.267 55.163 56.400 0.050 0.000 0.869 475 E CB 0.841 30.551 29.700 0.016 0.000 1.387 475 E HN 0.197 nan 8.360 nan 0.000 0.393 476 P HA -0.257 nan 4.420 nan 0.000 0.216 476 P C 1.228 178.639 177.300 0.185 0.000 1.150 476 P CA 1.451 64.494 63.100 -0.095 0.000 0.837 476 P CB -0.021 31.490 31.700 -0.315 0.000 0.786 477 H N 0.476 119.650 119.070 0.174 0.000 2.456 477 H HA 0.015 4.565 4.556 -0.010 0.000 0.296 477 H C 1.510 176.925 175.328 0.146 0.000 1.079 477 H CA 0.945 57.083 56.048 0.149 0.000 1.322 477 H CB -0.857 28.964 29.762 0.097 0.000 1.388 477 H HN 0.176 nan 8.280 nan 0.000 0.538 478 K N 0.314 120.555 120.400 -0.264 0.000 2.217 478 K HA 0.018 4.332 4.320 -0.010 0.000 0.202 478 K C -0.055 176.375 176.600 -0.284 0.000 1.051 478 K CA 0.291 56.420 56.287 -0.263 0.000 0.952 478 K CB 0.029 32.254 32.500 -0.459 0.000 0.736 478 K HN 0.110 nan 8.250 nan 0.000 0.453 479 F N 1.958 121.930 119.950 0.037 0.000 2.445 479 F HA 0.133 4.654 4.527 -0.011 0.000 0.359 479 F C 0.584 176.387 175.800 0.005 0.000 1.101 479 F CA -0.013 58.016 58.000 0.047 0.000 1.177 479 F CB 0.747 39.834 39.000 0.145 0.000 1.110 479 F HN -0.073 nan 8.300 nan 0.000 0.522 480 Q N 1.821 121.647 119.800 0.044 0.000 2.668 480 Q HA 0.387 4.721 4.340 -0.010 0.000 0.298 480 Q C -1.137 174.823 176.000 -0.066 0.000 1.071 480 Q CA -1.293 54.493 55.803 -0.029 0.000 0.789 480 Q CB 3.041 31.707 28.738 -0.120 0.000 1.497 480 Q HN 0.628 nan 8.270 nan 0.000 0.460 481 N N 0.505 119.145 118.700 -0.100 0.000 2.238 481 N HA 0.290 5.023 4.740 -0.010 0.000 0.302 481 N C -1.559 173.852 175.510 -0.165 0.000 1.072 481 N CA -0.405 52.585 53.050 -0.101 0.000 0.792 481 N CB 1.193 39.643 38.487 -0.060 0.000 1.425 481 N HN 0.284 nan 8.380 nan 0.000 0.478 482 K N 2.662 122.970 120.400 -0.154 0.000 2.723 482 K HA 0.181 4.495 4.320 -0.010 0.000 0.229 482 K C -1.008 175.601 176.600 0.015 0.000 1.022 482 K CA -0.470 55.698 56.287 -0.199 0.000 1.045 482 K CB 1.203 33.354 32.500 -0.581 0.000 1.227 482 K HN 0.555 nan 8.250 nan 0.000 0.516 483 T N 2.039 116.620 114.554 0.045 0.000 2.902 483 T HA 0.058 4.401 4.350 -0.010 0.000 0.301 483 T C 0.812 175.643 174.700 0.218 0.000 1.012 483 T CA 0.376 62.555 62.100 0.132 0.000 1.151 483 T CB 0.307 69.255 68.868 0.134 0.000 0.946 483 T HN 0.352 nan 8.240 nan 0.000 0.542 484 N N 0.535 119.385 118.700 0.251 0.000 2.297 484 N HA 0.414 5.148 4.740 -0.010 0.000 0.232 484 N C 0.473 176.172 175.510 0.315 0.000 1.311 484 N CA -0.201 53.032 53.050 0.304 0.000 0.897 484 N CB 0.386 38.988 38.487 0.193 0.000 1.137 484 N HN 0.757 nan 8.380 nan 0.000 0.449 485 G N -0.725 108.267 108.800 0.319 0.000 2.645 485 G HA2 0.599 4.553 3.960 -0.010 0.000 0.292 485 G HA3 0.599 4.553 3.960 -0.010 0.000 0.292 485 G C -1.442 173.587 174.900 0.216 0.000 1.415 485 G CA -0.734 44.539 45.100 0.289 0.000 0.785 485 G HN 0.596 nan 8.290 nan 0.000 0.483 486 I N -2.333 118.350 120.570 0.188 0.000 2.828 486 I HA 0.745 4.909 4.170 -0.010 0.000 0.302 486 I C -0.258 176.014 176.117 0.258 0.000 1.101 486 I CA -0.948 60.453 61.300 0.167 0.000 1.031 486 I CB 2.425 40.411 38.000 -0.025 0.000 1.231 486 I HN 0.509 nan 8.210 nan 0.000 0.427 487 T N 4.259 119.021 114.554 0.346 0.000 2.814 487 T HA 0.346 4.689 4.350 -0.010 0.000 0.297 487 T C -1.369 173.450 174.700 0.198 0.000 0.956 487 T CA -1.583 60.647 62.100 0.217 0.000 1.123 487 T CB 0.766 69.710 68.868 0.126 0.000 0.902 487 T HN 0.647 nan 8.240 nan 0.000 0.528 488 P HA 0.041 nan 4.420 nan 0.000 0.237 488 P C 1.040 178.306 177.300 -0.057 0.000 1.178 488 P CA 0.304 63.439 63.100 0.057 0.000 0.766 488 P CB 0.381 32.099 31.700 0.029 0.000 0.876 489 R N 0.483 120.906 120.500 -0.129 0.000 2.056 489 R HA 0.024 4.358 4.340 -0.010 0.000 0.227 489 R C 2.710 178.891 176.300 -0.199 0.000 1.149 489 R CA 1.504 57.488 56.100 -0.194 0.000 0.937 489 R CB -1.211 28.982 30.300 -0.179 0.000 0.835 489 R HN 0.048 nan 8.270 nan 0.000 0.430 490 R N -0.795 119.528 120.500 -0.294 0.000 2.075 490 R HA -0.105 4.229 4.340 -0.010 0.000 0.232 490 R C 0.933 176.847 176.300 -0.643 0.000 1.126 490 R CA 1.491 57.256 56.100 -0.559 0.000 0.963 490 R CB -0.143 29.646 30.300 -0.851 0.000 0.858 490 R HN 0.282 nan 8.270 nan 0.000 0.435 491 W N -0.010 121.246 121.300 -0.073 0.000 3.405 491 W HA 0.156 4.810 4.660 -0.011 0.000 0.300 491 W C 0.856 177.344 176.519 -0.051 0.000 1.286 491 W CA -0.660 56.641 57.345 -0.073 0.000 1.762 491 W CB 0.403 29.823 29.460 -0.067 0.000 1.087 491 W HN 0.231 nan 8.180 nan 0.000 0.703 492 L N -2.460 118.809 121.223 0.077 0.000 2.024 492 L HA 0.164 4.497 4.340 -0.010 0.000 0.137 492 L C 1.707 178.593 176.870 0.026 0.000 1.357 492 L CA 0.731 55.618 54.840 0.079 0.000 1.059 492 L CB -0.849 41.285 42.059 0.125 0.000 2.165 492 L HN -0.256 nan 8.230 nan 0.000 0.478 493 V N 1.290 121.198 119.914 -0.009 0.000 2.287 493 V HA -0.276 3.838 4.120 -0.010 0.000 0.248 493 V C 2.449 178.516 176.094 -0.045 0.000 1.053 493 V CA 2.538 64.823 62.300 -0.024 0.000 1.027 493 V CB -0.703 31.078 31.823 -0.070 0.000 0.646 493 V HN 0.515 nan 8.190 nan 0.000 0.447 494 L N 0.494 121.659 121.223 -0.097 0.000 2.005 494 L HA -0.191 4.143 4.340 -0.010 0.000 0.207 494 L C 2.498 179.301 176.870 -0.112 0.000 1.072 494 L CA 2.424 57.190 54.840 -0.123 0.000 0.744 494 L CB -0.274 41.661 42.059 -0.206 0.000 0.895 494 L HN 0.668 nan 8.230 nan 0.000 0.433 495 C N -1.723 117.502 119.300 -0.126 0.000 2.563 495 C HA 0.190 4.644 4.460 -0.010 0.000 0.268 495 C C 1.177 176.149 174.990 -0.032 0.000 1.365 495 C CA -0.303 58.661 59.018 -0.089 0.000 1.754 495 C CB -1.041 26.641 27.740 -0.097 0.000 1.932 495 C HN 0.587 nan 8.230 nan 0.000 0.536 496 N N 1.133 119.826 118.700 -0.011 0.000 2.703 496 N HA 0.272 5.006 4.740 -0.010 0.000 0.283 496 N C -1.679 173.844 175.510 0.020 0.000 1.851 496 N CA -1.562 51.495 53.050 0.011 0.000 0.826 496 N CB 0.776 39.279 38.487 0.027 0.000 1.239 496 N HN 0.259 nan 8.380 nan 0.000 0.495 497 P HA -0.072 nan 4.420 nan 0.000 0.216 497 P C 1.404 178.721 177.300 0.028 0.000 1.150 497 P CA 0.994 64.106 63.100 0.020 0.000 0.837 497 P CB 0.237 31.942 31.700 0.007 0.000 0.786 498 G N 0.582 109.393 108.800 0.019 0.000 2.440 498 G HA2 -0.252 3.702 3.960 -0.010 0.000 0.218 498 G HA3 -0.252 3.702 3.960 -0.010 0.000 0.218 498 G C 1.552 176.463 174.900 0.019 0.000 1.154 498 G CA 0.719 45.828 45.100 0.015 0.000 0.767 498 G HN 0.261 nan 8.290 nan 0.000 0.552 499 L N 1.106 122.342 121.223 0.022 0.000 2.072 499 L HA 0.309 4.642 4.340 -0.010 0.000 0.205 499 L C 3.044 179.948 176.870 0.057 0.000 1.079 499 L CA 1.918 56.771 54.840 0.022 0.000 0.752 499 L CB -0.616 41.456 42.059 0.022 0.000 0.906 499 L HN 0.216 nan 8.230 nan 0.000 0.436 500 A N -0.837 122.037 122.820 0.091 0.000 1.972 500 A HA -0.232 4.082 4.320 -0.010 0.000 0.219 500 A C 2.214 179.897 177.584 0.165 0.000 1.169 500 A CA 1.741 53.885 52.037 0.180 0.000 0.635 500 A CB -0.589 18.510 19.000 0.166 0.000 0.810 500 A HN 0.528 nan 8.150 nan 0.000 0.446 501 E N 0.751 121.008 120.200 0.095 0.000 2.028 501 E HA -0.154 4.190 4.350 -0.010 0.000 0.191 501 E C 1.878 178.516 176.600 0.064 0.000 0.988 501 E CA 1.585 58.030 56.400 0.075 0.000 0.799 501 E CB -0.515 29.211 29.700 0.044 0.000 0.755 501 E HN 0.719 nan 8.360 nan 0.000 0.447 502 I N -1.517 119.086 120.570 0.055 0.000 2.454 502 I HA -0.168 3.996 4.170 -0.010 0.000 0.254 502 I C 2.122 178.301 176.117 0.103 0.000 1.156 502 I CA 1.191 62.536 61.300 0.075 0.000 1.433 502 I CB -0.389 37.648 38.000 0.061 0.000 1.082 502 I HN 0.034 nan 8.210 nan 0.000 0.432 503 I N 1.863 122.471 120.570 0.063 0.000 2.286 503 I HA -0.147 4.017 4.170 -0.010 0.000 0.245 503 I C 3.017 179.071 176.117 -0.106 0.000 1.104 503 I CA 1.196 62.458 61.300 -0.064 0.000 1.397 503 I CB -0.442 37.405 38.000 -0.255 0.000 1.072 503 I HN 0.278 nan 8.210 nan 0.000 0.417 504 A N 0.444 123.294 122.820 0.051 0.000 1.972 504 A HA -0.224 4.090 4.320 -0.010 0.000 0.219 504 A C 2.153 179.760 177.584 0.039 0.000 1.169 504 A CA 1.562 53.684 52.037 0.142 0.000 0.635 504 A CB -0.579 18.545 19.000 0.207 0.000 0.810 504 A HN 0.428 nan 8.150 nan 0.000 0.446 505 E N -0.683 119.521 120.200 0.007 0.000 2.160 505 E HA -0.201 4.143 4.350 -0.010 0.000 0.195 505 E C 2.239 178.793 176.600 -0.076 0.000 0.991 505 E CA 1.145 57.534 56.400 -0.019 0.000 0.810 505 E CB -0.038 29.656 29.700 -0.010 0.000 0.742 505 E HN 0.498 nan 8.360 nan 0.000 0.466 506 R N 0.084 120.479 120.500 -0.175 0.000 2.087 506 R HA 0.080 4.413 4.340 -0.010 0.000 0.216 506 R C 2.325 178.534 176.300 -0.152 0.000 1.114 506 R CA 0.871 56.788 56.100 -0.305 0.000 1.002 506 R CB -0.206 29.590 30.300 -0.839 0.000 0.903 506 R HN 0.310 nan 8.270 nan 0.000 0.445 507 I N -2.759 117.738 120.570 -0.121 0.000 4.081 507 I HA 0.430 4.594 4.170 -0.010 0.000 0.333 507 I C 0.401 176.552 176.117 0.057 0.000 1.413 507 I CA 0.052 61.340 61.300 -0.020 0.000 1.110 507 I CB 0.758 38.735 38.000 -0.038 0.000 1.082 507 I HN 0.181 nan 8.210 nan 0.000 0.402 508 G N 2.279 111.124 108.800 0.074 0.000 2.660 508 G HA2 -0.207 3.747 3.960 -0.010 0.000 0.247 508 G HA3 -0.207 3.747 3.960 -0.010 0.000 0.247 508 G C -0.091 174.946 174.900 0.230 0.000 1.328 508 G CA 0.116 45.286 45.100 0.117 0.000 0.884 508 G HN 0.467 nan 8.290 nan 0.000 0.531 509 E N -0.356 119.934 120.200 0.149 0.000 2.481 509 E HA 0.095 4.439 4.350 -0.010 0.000 0.198 509 E C 1.755 178.324 176.600 -0.052 0.000 1.027 509 E CA -0.044 56.393 56.400 0.061 0.000 0.900 509 E CB 0.386 30.102 29.700 0.026 0.000 0.993 509 E HN 0.444 nan 8.360 nan 0.000 0.482 510 E N 0.767 121.003 120.200 0.059 0.000 2.209 510 E HA -0.192 4.151 4.350 -0.010 0.000 0.196 510 E C 1.724 178.328 176.600 0.006 0.000 0.993 510 E CA 0.988 57.410 56.400 0.036 0.000 0.819 510 E CB -0.049 29.693 29.700 0.069 0.000 0.745 510 E HN 0.538 nan 8.360 nan 0.000 0.477 511 Y N -0.943 119.360 120.300 0.005 0.000 2.333 511 Y HA -0.045 4.500 4.550 -0.009 0.000 0.290 511 Y C 2.009 177.883 175.900 -0.043 0.000 1.144 511 Y CA 0.621 58.715 58.100 -0.010 0.000 1.228 511 Y CB -0.875 37.584 38.460 -0.002 0.000 0.985 511 Y HN -0.086 nan 8.280 nan 0.000 0.542 512 I N 1.002 121.062 120.570 -0.851 0.000 2.423 512 I HA -0.247 3.916 4.170 -0.010 0.000 0.254 512 I C 1.630 177.466 176.117 -0.468 0.000 1.151 512 I CA 1.865 62.720 61.300 -0.741 0.000 1.421 512 I CB -0.422 37.060 38.000 -0.864 0.000 1.079 512 I HN 0.500 nan 8.210 nan 0.000 0.431 513 S N -2.213 113.328 115.700 -0.265 0.000 2.730 513 S HA 0.172 4.636 4.470 -0.010 0.000 0.244 513 S C 0.157 174.733 174.600 -0.039 0.000 1.022 513 S CA -0.489 57.635 58.200 -0.126 0.000 1.014 513 S CB 0.396 63.598 63.200 0.003 0.000 0.963 513 S HN 0.295 nan 8.310 nan 0.000 0.540 514 D N 0.675 121.060 120.400 -0.024 0.000 3.118 514 D HA 0.228 4.862 4.640 -0.010 0.000 0.259 514 D C 0.386 176.724 176.300 0.063 0.000 1.292 514 D CA -0.374 53.639 54.000 0.021 0.000 0.784 514 D CB 0.328 41.146 40.800 0.031 0.000 1.413 514 D HN 0.087 nan 8.370 nan 0.000 0.583 515 L N 1.132 122.393 121.223 0.063 0.000 2.261 515 L HA -0.051 4.283 4.340 -0.010 0.000 0.216 515 L C 1.457 178.379 176.870 0.086 0.000 1.114 515 L CA 1.615 56.524 54.840 0.115 0.000 0.777 515 L CB -0.085 42.033 42.059 0.098 0.000 0.910 515 L HN 0.288 nan 8.230 nan 0.000 0.440 516 D N -0.839 119.587 120.400 0.044 0.000 2.265 516 D HA -0.214 4.420 4.640 -0.010 0.000 0.208 516 D C 1.901 178.221 176.300 0.034 0.000 0.977 516 D CA 0.806 54.817 54.000 0.019 0.000 0.871 516 D CB 0.055 40.853 40.800 -0.003 0.000 0.925 516 D HN 0.563 nan 8.370 nan 0.000 0.485 517 Q N -0.004 119.835 119.800 0.064 0.000 2.439 517 Q HA -0.046 4.288 4.340 -0.010 0.000 0.211 517 Q C 2.240 178.262 176.000 0.037 0.000 0.978 517 Q CA 0.220 56.061 55.803 0.064 0.000 0.897 517 Q CB 0.033 28.837 28.738 0.109 0.000 0.956 517 Q HN 0.389 nan 8.270 nan 0.000 0.483 518 L N 0.001 121.242 121.223 0.030 0.000 2.353 518 L HA -0.180 4.154 4.340 -0.010 0.000 0.220 518 L C 2.199 179.071 176.870 0.002 0.000 1.133 518 L CA 0.844 55.671 54.840 -0.022 0.000 0.798 518 L CB -0.316 41.742 42.059 -0.000 0.000 0.922 518 L HN 0.199 nan 8.230 nan 0.000 0.445 519 R N 0.293 120.802 120.500 0.014 0.000 2.159 519 R HA -0.165 4.169 4.340 -0.010 0.000 0.237 519 R C 2.071 178.378 176.300 0.012 0.000 1.131 519 R CA 1.003 57.111 56.100 0.013 0.000 0.982 519 R CB -0.138 30.165 30.300 0.005 0.000 0.868 519 R HN 0.374 nan 8.270 nan 0.000 0.453 520 K N 0.521 120.928 120.400 0.012 0.000 2.360 520 K HA -0.092 4.221 4.320 -0.010 0.000 0.201 520 K C 1.726 178.364 176.600 0.063 0.000 1.046 520 K CA 0.792 57.092 56.287 0.021 0.000 0.945 520 K CB -0.021 32.499 32.500 0.032 0.000 0.750 520 K HN 0.224 nan 8.250 nan 0.000 0.464 521 L N 0.537 121.793 121.223 0.056 0.000 2.465 521 L HA -0.124 4.210 4.340 -0.010 0.000 0.224 521 L C 1.829 178.774 176.870 0.124 0.000 1.145 521 L CA 0.018 54.917 54.840 0.099 0.000 0.834 521 L CB -0.211 41.871 42.059 0.038 0.000 0.944 521 L HN 0.120 nan 8.230 nan 0.000 0.451 522 L N 0.032 121.289 121.223 0.055 0.000 2.191 522 L HA -0.162 4.172 4.340 -0.010 0.000 0.212 522 L C 2.611 179.465 176.870 -0.027 0.000 1.103 522 L CA 1.774 56.632 54.840 0.029 0.000 0.769 522 L CB -0.660 41.402 42.059 0.006 0.000 0.908 522 L HN 0.333 nan 8.230 nan 0.000 0.438 523 S N -2.769 112.856 115.700 -0.125 0.000 2.650 523 S HA -0.039 4.425 4.470 -0.010 0.000 0.219 523 S C 1.046 175.358 174.600 -0.479 0.000 0.960 523 S CA 0.157 58.178 58.200 -0.298 0.000 0.925 523 S CB -0.491 62.469 63.200 -0.400 0.000 0.775 523 S HN 0.449 nan 8.310 nan 0.000 0.525 524 Y N -0.665 119.578 120.300 -0.096 0.000 2.527 524 Y HA 0.419 4.967 4.550 -0.004 0.000 0.247 524 Y C 1.870 177.821 175.900 0.085 0.000 1.138 524 Y CA -0.663 57.380 58.100 -0.096 0.000 1.228 524 Y CB 0.184 38.380 38.460 -0.441 0.000 1.252 524 Y HN 0.265 nan 8.280 nan 0.000 0.531 525 V N 0.444 120.462 119.914 0.174 0.000 2.720 525 V HA -0.219 3.895 4.120 -0.010 0.000 0.256 525 V C 0.957 177.127 176.094 0.126 0.000 1.082 525 V CA 2.316 64.715 62.300 0.165 0.000 1.101 525 V CB -0.002 31.875 31.823 0.089 0.000 0.693 525 V HN 0.325 nan 8.190 nan 0.000 0.479 526 D N -0.725 119.730 120.400 0.091 0.000 2.398 526 D HA 0.118 4.751 4.640 -0.010 0.000 0.210 526 D C 0.331 176.684 176.300 0.088 0.000 1.094 526 D CA 0.004 54.044 54.000 0.067 0.000 0.839 526 D CB 0.103 40.918 40.800 0.026 0.000 0.963 526 D HN 0.439 nan 8.370 nan 0.000 0.506 527 D N 1.387 121.877 120.400 0.150 0.000 2.336 527 D HA -0.018 4.616 4.640 -0.010 0.000 0.249 527 D C 1.196 177.604 176.300 0.180 0.000 1.213 527 D CA -0.019 54.090 54.000 0.182 0.000 0.870 527 D CB 1.454 42.437 40.800 0.305 0.000 1.076 527 D HN -0.217 nan 8.370 nan 0.000 0.483 528 E N 3.102 123.372 120.200 0.115 0.000 2.160 528 E HA -0.152 4.192 4.350 -0.010 0.000 0.195 528 E C 1.710 178.364 176.600 0.090 0.000 0.991 528 E CA 1.402 57.853 56.400 0.085 0.000 0.810 528 E CB -0.011 29.722 29.700 0.055 0.000 0.742 528 E HN 0.593 nan 8.360 nan 0.000 0.466 529 A N -0.400 122.489 122.820 0.115 0.000 1.873 529 A HA -0.125 4.189 4.320 -0.010 0.000 0.215 529 A C 2.215 179.884 177.584 0.142 0.000 1.186 529 A CA 1.228 53.328 52.037 0.107 0.000 0.616 529 A CB -0.920 18.143 19.000 0.106 0.000 0.823 529 A HN 0.430 nan 8.150 nan 0.000 0.442 530 F N 0.444 120.404 119.950 0.017 0.000 2.102 530 F HA -0.154 4.367 4.527 -0.009 0.000 0.298 530 F C 2.065 177.867 175.800 0.004 0.000 1.105 530 F CA 1.583 59.577 58.000 -0.010 0.000 1.239 530 F CB -0.096 38.906 39.000 0.003 0.000 0.991 530 F HN 0.157 nan 8.300 nan 0.000 0.474 531 I N 0.149 120.745 120.570 0.043 0.000 2.208 531 I HA -0.349 3.815 4.170 -0.010 0.000 0.245 531 I C 2.552 178.614 176.117 -0.091 0.000 1.097 531 I CA 1.599 62.867 61.300 -0.052 0.000 1.363 531 I CB -0.487 37.533 38.000 0.033 0.000 1.051 531 I HN 0.126 nan 8.210 nan 0.000 0.413 532 R N 0.876 121.349 120.500 -0.045 0.000 2.075 532 R HA -0.171 4.163 4.340 -0.010 0.000 0.232 532 R C 1.890 178.142 176.300 -0.081 0.000 1.126 532 R CA 1.730 57.801 56.100 -0.047 0.000 0.963 532 R CB -0.082 30.209 30.300 -0.014 0.000 0.858 532 R HN 0.273 nan 8.270 nan 0.000 0.435 533 D N -0.237 120.099 120.400 -0.107 0.000 2.097 533 D HA -0.125 4.509 4.640 -0.010 0.000 0.197 533 D C 1.951 178.135 176.300 -0.194 0.000 0.984 533 D CA 1.244 55.170 54.000 -0.123 0.000 0.826 533 D CB -0.228 40.518 40.800 -0.091 0.000 0.973 533 D HN 0.077 nan 8.370 nan 0.000 0.460 534 V N 1.619 121.323 119.914 -0.351 0.000 2.287 534 V HA -0.274 3.840 4.120 -0.010 0.000 0.248 534 V C 2.548 178.549 176.094 -0.154 0.000 1.053 534 V CA 2.017 64.118 62.300 -0.331 0.000 1.027 534 V CB -0.844 30.702 31.823 -0.463 0.000 0.646 534 V HN 0.197 nan 8.190 nan 0.000 0.447 535 A N -0.722 122.027 122.820 -0.119 0.000 1.972 535 A HA -0.246 4.068 4.320 -0.010 0.000 0.219 535 A C 2.352 179.899 177.584 -0.062 0.000 1.169 535 A CA 2.064 54.063 52.037 -0.063 0.000 0.635 535 A CB -0.455 18.512 19.000 -0.055 0.000 0.810 535 A HN 0.535 nan 8.150 nan 0.000 0.446 536 K N -0.262 120.097 120.400 -0.068 0.000 2.057 536 K HA -0.065 4.249 4.320 -0.010 0.000 0.206 536 K C 1.823 178.398 176.600 -0.043 0.000 1.050 536 K CA 1.437 57.694 56.287 -0.051 0.000 0.935 536 K CB -0.229 32.244 32.500 -0.046 0.000 0.715 536 K HN 0.231 nan 8.250 nan 0.000 0.439 537 V N 1.767 121.651 119.914 -0.050 0.000 2.332 537 V HA -0.254 3.860 4.120 -0.010 0.000 0.248 537 V C 2.366 178.448 176.094 -0.020 0.000 1.055 537 V CA 1.990 64.270 62.300 -0.033 0.000 1.038 537 V CB -0.458 31.339 31.823 -0.043 0.000 0.651 537 V HN 0.343 nan 8.190 nan 0.000 0.450 538 K N 0.515 120.900 120.400 -0.024 0.000 2.026 538 K HA -0.232 4.082 4.320 -0.010 0.000 0.208 538 K C 2.179 178.758 176.600 -0.036 0.000 1.048 538 K CA 1.891 58.171 56.287 -0.012 0.000 0.929 538 K CB -0.556 31.950 32.500 0.010 0.000 0.713 538 K HN 0.389 nan 8.250 nan 0.000 0.439 539 Q N 1.061 120.831 119.800 -0.050 0.000 2.096 539 Q HA -0.142 4.192 4.340 -0.010 0.000 0.204 539 Q C 1.696 177.679 176.000 -0.029 0.000 0.982 539 Q CA 2.104 57.868 55.803 -0.064 0.000 0.850 539 Q CB -0.144 28.559 28.738 -0.059 0.000 0.901 539 Q HN 0.532 nan 8.270 nan 0.000 0.422 540 E N -0.536 119.658 120.200 -0.010 0.000 2.110 540 E HA -0.158 4.186 4.350 -0.010 0.000 0.193 540 E C 1.772 178.398 176.600 0.043 0.000 0.988 540 E CA 0.979 57.387 56.400 0.014 0.000 0.804 540 E CB -0.080 29.625 29.700 0.010 0.000 0.745 540 E HN 0.421 nan 8.360 nan 0.000 0.458 541 N N 1.020 119.744 118.700 0.040 0.000 2.142 541 N HA -0.128 4.606 4.740 -0.010 0.000 0.186 541 N C 1.508 177.106 175.510 0.146 0.000 1.023 541 N CA 1.039 54.135 53.050 0.077 0.000 0.852 541 N CB -0.084 38.432 38.487 0.048 0.000 0.998 541 N HN 0.141 nan 8.380 nan 0.000 0.424 542 K N 0.623 121.078 120.400 0.091 0.000 2.097 542 K HA 0.018 4.332 4.320 -0.010 0.000 0.205 542 K C 2.100 178.848 176.600 0.248 0.000 1.050 542 K CA 0.626 57.003 56.287 0.150 0.000 0.938 542 K CB -0.111 32.211 32.500 -0.296 0.000 0.718 542 K HN 0.117 nan 8.250 nan 0.000 0.442 543 L N 1.123 122.424 121.223 0.130 0.000 2.056 543 L HA -0.171 4.163 4.340 -0.010 0.000 0.207 543 L C 2.618 179.584 176.870 0.159 0.000 1.078 543 L CA 1.240 56.155 54.840 0.126 0.000 0.749 543 L CB -0.317 41.781 42.059 0.066 0.000 0.901 543 L HN 0.160 nan 8.230 nan 0.000 0.433 544 K N -0.231 120.268 120.400 0.165 0.000 2.097 544 K HA -0.234 4.080 4.320 -0.010 0.000 0.206 544 K C 2.164 178.917 176.600 0.255 0.000 1.049 544 K CA 1.532 57.924 56.287 0.175 0.000 0.933 544 K CB -0.113 32.477 32.500 0.150 0.000 0.717 544 K HN 0.092 nan 8.250 nan 0.000 0.442 545 F N 1.003 121.049 119.950 0.160 0.000 2.234 545 F HA 0.060 4.581 4.527 -0.010 0.000 0.296 545 F C 1.974 177.918 175.800 0.240 0.000 1.089 545 F CA 1.014 59.123 58.000 0.183 0.000 1.343 545 F CB -0.389 38.717 39.000 0.178 0.000 1.040 545 F HN 0.063 nan 8.300 nan 0.000 0.498 546 A N 0.176 123.140 122.820 0.241 0.000 1.972 546 A HA -0.034 4.279 4.320 -0.010 0.000 0.219 546 A C 2.368 179.979 177.584 0.044 0.000 1.169 546 A CA 1.652 53.769 52.037 0.132 0.000 0.635 546 A CB -1.389 17.759 19.000 0.246 0.000 0.810 546 A HN 0.439 nan 8.150 nan 0.000 0.446 547 A N -1.509 121.356 122.820 0.076 0.000 1.897 547 A HA -0.018 4.296 4.320 -0.010 0.000 0.215 547 A C 2.102 179.704 177.584 0.030 0.000 1.181 547 A CA 1.448 53.513 52.037 0.047 0.000 0.620 547 A CB -0.769 18.270 19.000 0.066 0.000 0.821 547 A HN 0.726 nan 8.150 nan 0.000 0.443 548 Y N 0.771 121.016 120.300 -0.092 0.000 2.181 548 Y HA -0.164 4.380 4.550 -0.010 0.000 0.288 548 Y C 1.836 177.651 175.900 -0.143 0.000 1.146 548 Y CA 1.747 59.778 58.100 -0.114 0.000 1.164 548 Y CB -0.326 38.068 38.460 -0.110 0.000 0.982 548 Y HN 0.204 nan 8.280 nan 0.000 0.515 549 L N 0.070 121.266 121.223 -0.045 0.000 2.187 549 L HA -0.210 4.124 4.340 -0.010 0.000 0.213 549 L C 2.172 179.035 176.870 -0.012 0.000 1.100 549 L CA 1.746 56.568 54.840 -0.029 0.000 0.765 549 L CB -0.443 41.533 42.059 -0.138 0.000 0.904 549 L HN 0.364 nan 8.230 nan 0.000 0.437 550 E N -0.635 119.543 120.200 -0.037 0.000 2.190 550 E HA -0.076 4.268 4.350 -0.010 0.000 0.191 550 E C 2.222 178.777 176.600 -0.075 0.000 0.978 550 E CA 0.170 56.568 56.400 -0.004 0.000 0.839 550 E CB 0.169 29.871 29.700 0.003 0.000 0.787 550 E HN 0.432 nan 8.360 nan 0.000 0.473 551 R N 1.110 121.515 120.500 -0.157 0.000 2.082 551 R HA -0.127 4.207 4.340 -0.010 0.000 0.228 551 R C 1.907 178.023 176.300 -0.308 0.000 1.140 551 R CA 1.421 57.396 56.100 -0.208 0.000 0.920 551 R CB -0.090 30.074 30.300 -0.228 0.000 0.828 551 R HN -0.028 nan 8.270 nan 0.000 0.430 552 E N -1.270 118.589 120.200 -0.568 0.000 2.442 552 E HA -0.033 4.311 4.350 -0.010 0.000 0.195 552 E C 0.268 176.380 176.600 -0.814 0.000 1.030 552 E CA 0.699 56.649 56.400 -0.750 0.000 0.869 552 E CB 0.449 29.479 29.700 -1.116 0.000 0.857 552 E HN 0.372 nan 8.360 nan 0.000 0.505 553 Y N -0.336 119.857 120.300 -0.179 0.000 2.610 553 Y HA 0.252 4.796 4.550 -0.011 0.000 0.254 553 Y C -0.306 175.571 175.900 -0.038 0.000 1.110 553 Y CA -0.745 57.310 58.100 -0.075 0.000 1.238 553 Y CB 0.709 39.142 38.460 -0.047 0.000 1.322 553 Y HN -0.313 nan 8.280 nan 0.000 0.547 554 K N 1.380 121.818 120.400 0.064 0.000 4.838 554 K HA -0.109 4.205 4.320 -0.010 0.000 0.300 554 K C -0.930 175.728 176.600 0.097 0.000 0.861 554 K CA 0.875 57.210 56.287 0.081 0.000 0.929 554 K CB -1.723 30.812 32.500 0.058 0.000 1.772 554 K HN 0.256 nan 8.250 nan 0.000 0.422 555 V N -1.415 118.578 119.914 0.131 0.000 2.653 555 V HA 0.334 4.448 4.120 -0.010 0.000 0.298 555 V C 0.083 176.289 176.094 0.186 0.000 1.097 555 V CA -1.009 61.342 62.300 0.085 0.000 0.908 555 V CB 1.479 33.325 31.823 0.039 0.000 1.024 555 V HN 0.490 nan 8.190 nan 0.000 0.435 556 H N 5.618 124.683 119.070 -0.008 0.000 2.683 556 H HA 0.785 5.335 4.556 -0.010 0.000 0.339 556 H C 0.002 175.325 175.328 -0.009 0.000 1.081 556 H CA -0.116 55.929 56.048 -0.004 0.000 1.432 556 H CB 1.796 31.558 29.762 0.000 0.000 1.462 556 H HN 0.903 nan 8.280 nan 0.000 0.557 557 I N -0.207 120.441 120.570 0.130 0.000 2.894 557 I HA 0.351 4.515 4.170 -0.010 0.000 0.302 557 I C -0.947 175.247 176.117 0.128 0.000 1.188 557 I CA -1.337 60.017 61.300 0.091 0.000 1.014 557 I CB 2.406 40.429 38.000 0.038 0.000 1.242 557 I HN 0.372 nan 8.210 nan 0.000 0.430 558 N N 4.665 123.450 118.700 0.142 0.000 2.437 558 N HA 0.446 5.180 4.740 -0.010 0.000 0.243 558 N C -2.085 173.566 175.510 0.234 0.000 1.041 558 N CA -2.297 50.842 53.050 0.148 0.000 0.940 558 N CB 1.250 39.798 38.487 0.101 0.000 1.133 558 N HN 0.363 nan 8.380 nan 0.000 0.506 559 P HA -0.031 nan 4.420 nan 0.000 0.228 559 P C -0.007 177.272 177.300 -0.036 0.000 1.151 559 P CA 1.145 64.316 63.100 0.118 0.000 0.770 559 P CB 0.151 31.901 31.700 0.082 0.000 0.786 560 N N -1.251 117.464 118.700 0.024 0.000 2.412 560 N HA 0.011 4.744 4.740 -0.010 0.000 0.184 560 N C 0.428 175.961 175.510 0.038 0.000 1.101 560 N CA -0.117 52.937 53.050 0.007 0.000 0.881 560 N CB 0.085 38.589 38.487 0.028 0.000 0.969 560 N HN 0.197 nan 8.380 nan 0.000 0.459 561 S N 0.392 116.126 115.700 0.057 0.000 2.632 561 S HA 0.225 4.689 4.470 -0.010 0.000 0.267 561 S C -0.015 174.539 174.600 -0.077 0.000 1.276 561 S CA -0.878 57.345 58.200 0.038 0.000 0.998 561 S CB 1.305 64.564 63.200 0.099 0.000 0.953 561 S HN 0.161 nan 8.310 nan 0.000 0.547 562 L N 1.950 122.978 121.223 -0.325 0.000 2.360 562 L HA 0.391 4.724 4.340 -0.010 0.000 0.276 562 L C -0.931 175.905 176.870 -0.056 0.000 1.121 562 L CA -0.603 53.840 54.840 -0.662 0.000 0.845 562 L CB -0.107 41.254 42.059 -1.164 0.000 1.143 562 L HN 0.712 nan 8.230 nan 0.000 0.452 563 F N 4.225 124.039 119.950 -0.227 0.000 2.405 563 F HA 0.109 4.631 4.527 -0.009 0.000 0.358 563 F C 0.378 176.111 175.800 -0.111 0.000 1.151 563 F CA -0.852 57.086 58.000 -0.104 0.000 1.161 563 F CB 0.629 39.617 39.000 -0.020 0.000 1.245 563 F HN 0.527 nan 8.300 nan 0.000 0.545 564 D N 4.988 125.400 120.400 0.020 0.000 2.396 564 D HA 0.253 4.887 4.640 -0.010 0.000 0.225 564 D C -1.011 175.237 176.300 -0.087 0.000 1.121 564 D CA -0.068 53.895 54.000 -0.060 0.000 0.853 564 D CB 1.345 42.093 40.800 -0.086 0.000 1.043 564 D HN 0.274 nan 8.370 nan 0.000 0.500 565 V N 2.450 122.295 119.914 -0.115 0.000 2.735 565 V HA 0.599 4.713 4.120 -0.010 0.000 0.310 565 V C -1.371 174.580 176.094 -0.238 0.000 1.061 565 V CA -0.702 61.511 62.300 -0.144 0.000 0.913 565 V CB 1.943 33.734 31.823 -0.053 0.000 1.005 565 V HN 0.511 nan 8.190 nan 0.000 0.428 566 Q N 4.138 123.810 119.800 -0.214 0.000 2.397 566 Q HA 0.653 4.987 4.340 -0.010 0.000 0.260 566 Q C -1.483 174.353 176.000 -0.274 0.000 1.002 566 Q CA -0.626 55.035 55.803 -0.236 0.000 0.716 566 Q CB 1.889 30.515 28.738 -0.186 0.000 1.258 566 Q HN 1.175 nan 8.270 nan 0.000 0.477 567 V N 1.795 121.534 119.914 -0.293 0.000 2.487 567 V HA 0.870 4.983 4.120 -0.010 0.000 0.298 567 V C -0.847 174.971 176.094 -0.460 0.000 1.028 567 V CA -0.542 61.392 62.300 -0.610 0.000 0.860 567 V CB 1.270 32.489 31.823 -1.006 0.000 0.991 567 V HN 0.814 nan 8.190 nan 0.000 0.427 568 K N 2.524 122.698 120.400 -0.377 0.000 3.040 568 K HA 0.384 4.698 4.320 -0.010 0.000 0.300 568 K C -1.295 175.299 176.600 -0.010 0.000 1.092 568 K CA -1.130 55.116 56.287 -0.070 0.000 0.831 568 K CB 0.919 33.368 32.500 -0.086 0.000 1.469 568 K HN 0.475 nan 8.250 nan 0.000 0.365 569 R N 0.903 121.447 120.500 0.074 0.000 2.698 569 R HA 0.165 4.498 4.340 -0.010 0.000 0.266 569 R C 0.392 176.713 176.300 0.035 0.000 1.026 569 R CA -0.285 55.874 56.100 0.098 0.000 1.102 569 R CB -0.144 30.240 30.300 0.139 0.000 0.978 569 R HN 0.464 nan 8.270 nan 0.000 0.436 570 I N 3.971 124.576 120.570 0.058 0.000 2.452 570 I HA 0.110 4.273 4.170 -0.010 0.000 0.287 570 I C 0.737 176.847 176.117 -0.013 0.000 1.079 570 I CA 0.524 61.815 61.300 -0.016 0.000 1.387 570 I CB -0.197 37.783 38.000 -0.033 0.000 1.404 570 I HN 0.373 nan 8.210 nan 0.000 0.522 571 H N 5.184 124.148 119.070 -0.177 0.000 3.079 571 H HA 0.215 4.764 4.556 -0.010 0.000 0.356 571 H C 0.328 175.524 175.328 -0.220 0.000 1.221 571 H CA -0.367 55.619 56.048 -0.104 0.000 1.185 571 H CB 1.825 31.529 29.762 -0.097 0.000 1.882 571 H HN 0.596 nan 8.280 nan 0.000 0.543 572 E N 1.939 122.118 120.200 -0.035 0.000 2.118 572 E HA -0.229 4.114 4.350 -0.010 0.000 0.195 572 E C 1.340 177.750 176.600 -0.317 0.000 0.992 572 E CA 1.773 58.156 56.400 -0.027 0.000 0.804 572 E CB -0.066 29.767 29.700 0.222 0.000 0.741 572 E HN 0.573 nan 8.360 nan 0.000 0.458 573 Y N 0.887 120.812 120.300 -0.625 0.000 2.421 573 Y HA -0.012 4.531 4.550 -0.011 0.000 0.292 573 Y C 1.486 177.135 175.900 -0.417 0.000 1.136 573 Y CA 0.814 58.256 58.100 -1.096 0.000 1.255 573 Y CB -0.102 37.720 38.460 -1.064 0.000 0.991 573 Y HN -0.209 nan 8.280 nan 0.000 0.552 574 K N 0.787 120.729 120.400 -0.762 0.000 2.432 574 K HA 0.068 4.382 4.320 -0.010 0.000 0.196 574 K C 0.117 176.550 176.600 -0.278 0.000 1.038 574 K CA 0.463 56.414 56.287 -0.559 0.000 0.986 574 K CB -0.044 32.111 32.500 -0.575 0.000 0.782 574 K HN 0.255 nan 8.250 nan 0.000 0.485 575 R N 0.502 120.870 120.500 -0.220 0.000 3.333 575 R HA -0.234 4.100 4.340 -0.010 0.000 0.256 575 R C 0.241 176.468 176.300 -0.121 0.000 1.010 575 R CA 0.191 56.213 56.100 -0.129 0.000 0.680 575 R CB -1.832 28.412 30.300 -0.094 0.000 1.102 575 R HN 0.292 nan 8.270 nan 0.000 0.440 576 Q N 0.325 120.050 119.800 -0.125 0.000 2.291 576 Q HA -0.033 4.300 4.340 -0.010 0.000 0.206 576 Q C 2.016 177.971 176.000 -0.074 0.000 0.976 576 Q CA 1.299 57.041 55.803 -0.102 0.000 0.875 576 Q CB 0.049 28.729 28.738 -0.096 0.000 0.927 576 Q HN 0.585 nan 8.270 nan 0.000 0.450 577 L N -0.619 120.563 121.223 -0.068 0.000 2.083 577 L HA -0.173 4.160 4.340 -0.010 0.000 0.209 577 L C 1.973 178.850 176.870 0.012 0.000 1.083 577 L CA 0.523 55.339 54.840 -0.041 0.000 0.752 577 L CB -0.326 41.718 42.059 -0.025 0.000 0.899 577 L HN 0.309 nan 8.230 nan 0.000 0.433 578 L N -0.053 121.172 121.223 0.004 0.000 2.093 578 L HA -0.213 4.120 4.340 -0.010 0.000 0.208 578 L C 1.995 178.940 176.870 0.123 0.000 1.085 578 L CA 1.822 56.685 54.840 0.038 0.000 0.755 578 L CB -0.795 41.183 42.059 -0.136 0.000 0.904 578 L HN 0.274 nan 8.230 nan 0.000 0.435 579 N N -1.706 117.029 118.700 0.057 0.000 2.120 579 N HA -0.225 4.509 4.740 -0.010 0.000 0.188 579 N C 1.937 177.530 175.510 0.138 0.000 1.024 579 N CA 1.554 54.706 53.050 0.169 0.000 0.852 579 N CB -0.130 38.385 38.487 0.045 0.000 1.003 579 N HN 0.481 nan 8.380 nan 0.000 0.424 580 C N 0.577 119.895 119.300 0.029 0.000 2.413 580 C HA -0.076 4.378 4.460 -0.010 0.000 0.276 580 C C 2.580 177.559 174.990 -0.018 0.000 1.248 580 C CA 0.400 59.387 59.018 -0.052 0.000 1.742 580 C CB -1.254 26.404 27.740 -0.137 0.000 2.017 580 C HN 0.507 nan 8.230 nan 0.000 0.481 581 L N -0.396 120.879 121.223 0.086 0.000 2.046 581 L HA -0.191 4.143 4.340 -0.010 0.000 0.208 581 L C 2.777 179.785 176.870 0.229 0.000 1.077 581 L CA 1.772 56.706 54.840 0.156 0.000 0.747 581 L CB -1.020 41.205 42.059 0.276 0.000 0.896 581 L HN 0.583 nan 8.230 nan 0.000 0.432 582 H N -0.060 119.107 119.070 0.161 0.000 2.326 582 H HA -0.132 4.418 4.556 -0.010 0.000 0.301 582 H C 2.242 177.552 175.328 -0.031 0.000 1.081 582 H CA 1.876 57.931 56.048 0.012 0.000 1.334 582 H CB 0.303 29.983 29.762 -0.136 0.000 1.385 582 H HN 0.089 nan 8.280 nan 0.000 0.504 583 V N 1.693 121.518 119.914 -0.148 0.000 2.287 583 V HA -0.287 3.827 4.120 -0.010 0.000 0.248 583 V C 2.842 178.858 176.094 -0.130 0.000 1.053 583 V CA 1.983 64.164 62.300 -0.197 0.000 1.027 583 V CB -0.523 31.234 31.823 -0.109 0.000 0.646 583 V HN 0.405 nan 8.190 nan 0.000 0.447 584 I N -0.277 120.249 120.570 -0.074 0.000 2.394 584 I HA -0.200 3.964 4.170 -0.010 0.000 0.251 584 I C 2.455 178.609 176.117 0.061 0.000 1.136 584 I CA 1.584 62.902 61.300 0.031 0.000 1.425 584 I CB -0.657 37.337 38.000 -0.010 0.000 1.079 584 I HN 0.329 nan 8.210 nan 0.000 0.425 585 T N 1.186 115.730 114.554 -0.016 0.000 2.746 585 T HA -0.125 4.219 4.350 -0.010 0.000 0.267 585 T C 1.875 176.514 174.700 -0.102 0.000 1.039 585 T CA 1.123 63.208 62.100 -0.024 0.000 1.142 585 T CB -0.190 68.687 68.868 0.015 0.000 0.866 585 T HN 0.085 nan 8.240 nan 0.000 0.444 586 L N 0.112 121.204 121.223 -0.218 0.000 2.046 586 L HA 0.012 4.346 4.340 -0.010 0.000 0.208 586 L C 2.069 178.888 176.870 -0.087 0.000 1.077 586 L CA 1.524 56.234 54.840 -0.217 0.000 0.747 586 L CB -0.936 40.922 42.059 -0.335 0.000 0.896 586 L HN 0.358 nan 8.230 nan 0.000 0.432 587 Y N 0.139 120.365 120.300 -0.123 0.000 2.163 587 Y HA -0.254 4.290 4.550 -0.011 0.000 0.288 587 Y C 2.405 178.274 175.900 -0.051 0.000 1.136 587 Y CA 1.758 59.825 58.100 -0.056 0.000 1.147 587 Y CB -0.078 38.392 38.460 0.017 0.000 0.987 587 Y HN 0.264 nan 8.280 nan 0.000 0.509 588 N N 0.481 119.134 118.700 -0.079 0.000 2.166 588 N HA -0.135 4.599 4.740 -0.010 0.000 0.186 588 N C 1.798 177.196 175.510 -0.187 0.000 1.019 588 N CA 1.408 54.353 53.050 -0.175 0.000 0.856 588 N CB -0.355 38.086 38.487 -0.078 0.000 0.993 588 N HN 0.448 nan 8.380 nan 0.000 0.426 589 R N 0.373 120.786 120.500 -0.145 0.000 2.115 589 R HA 0.091 4.425 4.340 -0.010 0.000 0.230 589 R C 2.156 178.367 176.300 -0.149 0.000 1.111 589 R CA 0.677 56.699 56.100 -0.129 0.000 0.976 589 R CB -0.159 30.074 30.300 -0.111 0.000 0.870 589 R HN 0.249 nan 8.270 nan 0.000 0.445 590 I N 0.815 121.272 120.570 -0.189 0.000 2.233 590 I HA -0.235 3.929 4.170 -0.010 0.000 0.243 590 I C 2.041 178.034 176.117 -0.207 0.000 1.093 590 I CA 1.074 62.262 61.300 -0.186 0.000 1.380 590 I CB -0.160 37.726 38.000 -0.190 0.000 1.067 590 I HN 0.007 nan 8.210 nan 0.000 0.413 591 K N 0.991 121.203 120.400 -0.314 0.000 2.147 591 K HA -0.209 4.105 4.320 -0.010 0.000 0.205 591 K C 1.995 178.495 176.600 -0.166 0.000 1.049 591 K CA 1.200 57.320 56.287 -0.278 0.000 0.936 591 K CB -0.315 31.950 32.500 -0.393 0.000 0.722 591 K HN 0.330 nan 8.250 nan 0.000 0.446 592 K N 1.115 121.424 120.400 -0.151 0.000 2.116 592 K HA -0.075 4.239 4.320 -0.010 0.000 0.203 592 K C 0.009 176.562 176.600 -0.079 0.000 1.052 592 K CA 1.009 57.235 56.287 -0.102 0.000 0.952 592 K CB 0.375 32.818 32.500 -0.094 0.000 0.729 592 K HN 0.066 nan 8.250 nan 0.000 0.446 593 E N 0.131 120.282 120.200 -0.082 0.000 3.386 593 E HA 0.119 4.462 4.350 -0.010 0.000 0.236 593 E C -2.370 174.194 176.600 -0.061 0.000 1.227 593 E CA -1.573 54.792 56.400 -0.059 0.000 0.970 593 E CB 1.734 31.406 29.700 -0.048 0.000 1.343 593 E HN 0.105 nan 8.360 nan 0.000 0.397 594 P HA -0.187 nan 4.420 nan 0.000 0.216 594 P C 0.273 177.555 177.300 -0.032 0.000 1.153 594 P CA 1.343 64.409 63.100 -0.056 0.000 0.858 594 P CB 0.159 31.830 31.700 -0.048 0.000 0.789 595 N N -1.185 117.506 118.700 -0.015 0.000 2.362 595 N HA 0.005 4.739 4.740 -0.010 0.000 0.211 595 N C 0.441 175.967 175.510 0.026 0.000 1.170 595 N CA 0.067 53.121 53.050 0.007 0.000 0.828 595 N CB -0.106 38.386 38.487 0.008 0.000 1.034 595 N HN 0.045 nan 8.380 nan 0.000 0.475 596 K N 1.051 121.460 120.400 0.013 0.000 2.130 596 K HA 0.177 4.491 4.320 -0.010 0.000 0.268 596 K C -0.969 175.667 176.600 0.060 0.000 0.983 596 K CA -0.620 55.689 56.287 0.037 0.000 0.893 596 K CB 0.702 33.203 32.500 0.001 0.000 1.066 596 K HN -0.040 nan 8.250 nan 0.000 0.450 597 F N 4.288 124.223 119.950 -0.024 0.000 2.443 597 F HA 0.272 4.793 4.527 -0.010 0.000 0.353 597 F C -0.427 175.358 175.800 -0.026 0.000 1.101 597 F CA -0.111 57.876 58.000 -0.022 0.000 1.226 597 F CB 0.696 39.686 39.000 -0.017 0.000 1.140 597 F HN 0.189 nan 8.300 nan 0.000 0.557 598 V N 4.013 123.282 119.914 -1.076 0.000 2.888 598 V HA 0.507 4.620 4.120 -0.010 0.000 0.309 598 V C -0.885 174.595 176.094 -1.023 0.000 1.114 598 V CA -1.228 60.610 62.300 -0.770 0.000 0.940 598 V CB 0.824 32.419 31.823 -0.381 0.000 1.021 598 V HN 0.598 nan 8.190 nan 0.000 0.426 599 V N 4.796 124.366 119.914 -0.573 0.000 2.493 599 V HA 0.175 4.288 4.120 -0.010 0.000 0.292 599 V C -1.823 174.111 176.094 -0.267 0.000 1.016 599 V CA -0.319 61.795 62.300 -0.310 0.000 1.097 599 V CB 0.388 32.158 31.823 -0.089 0.000 0.947 599 V HN 0.902 nan 8.190 nan 0.000 0.479 600 P HA 0.286 nan 4.420 nan 0.000 0.268 600 P C -0.350 176.871 177.300 -0.131 0.000 1.204 600 P CA 0.098 63.121 63.100 -0.129 0.000 0.768 600 P CB 0.495 32.169 31.700 -0.044 0.000 0.842 601 R N 1.295 121.729 120.500 -0.110 0.000 2.744 601 R HA 0.606 4.940 4.340 -0.010 0.000 0.279 601 R C -0.839 175.433 176.300 -0.046 0.000 0.977 601 R CA -0.663 55.375 56.100 -0.102 0.000 0.906 601 R CB 2.091 32.314 30.300 -0.129 0.000 1.197 601 R HN 0.274 nan 8.270 nan 0.000 0.463 602 T N 1.794 116.337 114.554 -0.017 0.000 2.864 602 T HA 0.242 4.586 4.350 -0.010 0.000 0.310 602 T C -0.504 174.132 174.700 -0.107 0.000 1.040 602 T CA -0.475 61.586 62.100 -0.066 0.000 0.977 602 T CB 1.213 70.005 68.868 -0.126 0.000 0.976 602 T HN 0.139 nan 8.240 nan 0.000 0.459 603 V N 5.781 125.635 119.914 -0.101 0.000 2.385 603 V HA 0.428 4.542 4.120 -0.010 0.000 0.269 603 V C 0.078 176.101 176.094 -0.118 0.000 1.043 603 V CA -0.370 61.872 62.300 -0.098 0.000 0.906 603 V CB 0.723 32.501 31.823 -0.074 0.000 0.995 603 V HN 0.846 nan 8.190 nan 0.000 0.467 604 M N 6.644 126.161 119.600 -0.137 0.000 2.167 604 M HA 0.609 5.083 4.480 -0.010 0.000 0.333 604 M C -0.984 175.205 176.300 -0.184 0.000 1.030 604 M CA -0.143 55.063 55.300 -0.157 0.000 0.963 604 M CB 1.908 34.412 32.600 -0.160 0.000 1.589 604 M HN 0.431 nan 8.290 nan 0.000 0.431 605 I N 1.956 122.392 120.570 -0.223 0.000 2.498 605 I HA 0.819 4.983 4.170 -0.010 0.000 0.290 605 I C 0.058 175.823 176.117 -0.588 0.000 1.032 605 I CA -0.646 60.488 61.300 -0.276 0.000 1.073 605 I CB 2.296 40.225 38.000 -0.118 0.000 1.251 605 I HN 0.793 nan 8.210 nan 0.000 0.426 606 G N 2.957 111.391 108.800 -0.610 0.000 2.690 606 G HA2 0.837 4.791 3.960 -0.010 0.000 0.293 606 G HA3 0.837 4.791 3.960 -0.010 0.000 0.293 606 G C -1.012 173.601 174.900 -0.479 0.000 1.399 606 G CA -0.772 43.830 45.100 -0.829 0.000 0.890 606 G HN 0.992 nan 8.290 nan 0.000 0.485 607 G N -0.402 108.278 108.800 -0.200 0.000 2.329 607 G HA2 0.398 4.352 3.960 -0.010 0.000 0.308 607 G HA3 0.398 4.352 3.960 -0.010 0.000 0.308 607 G C -1.231 173.813 174.900 0.240 0.000 1.587 607 G CA -1.022 44.122 45.100 0.074 0.000 0.978 607 G HN 0.608 nan 8.290 nan 0.000 0.685 608 K N -0.121 120.417 120.400 0.229 0.000 2.098 608 K HA 0.775 5.089 4.320 -0.010 0.000 0.258 608 K C 0.256 177.011 176.600 0.259 0.000 0.973 608 K CA -0.200 56.245 56.287 0.264 0.000 0.898 608 K CB 2.052 34.615 32.500 0.105 0.000 1.057 608 K HN 0.895 nan 8.250 nan 0.000 0.447 609 A N 1.223 124.230 122.820 0.312 0.000 2.324 609 A HA 0.657 4.971 4.320 -0.010 0.000 0.330 609 A C -0.546 177.235 177.584 0.328 0.000 1.165 609 A CA -0.759 51.406 52.037 0.213 0.000 0.813 609 A CB 1.118 20.154 19.000 0.060 0.000 1.197 609 A HN 0.766 nan 8.150 nan 0.000 0.484 610 A N 3.272 126.278 122.820 0.310 0.000 2.511 610 A HA 0.481 4.795 4.320 -0.010 0.000 0.242 610 A C -1.413 176.275 177.584 0.173 0.000 1.069 610 A CA -0.824 51.395 52.037 0.304 0.000 0.763 610 A CB -0.386 18.778 19.000 0.272 0.000 1.001 610 A HN 0.597 nan 8.150 nan 0.000 0.498 611 P HA -0.166 nan 4.420 nan 0.000 0.217 611 P C 1.274 178.576 177.300 0.002 0.000 1.151 611 P CA 2.095 65.148 63.100 -0.079 0.000 0.849 611 P CB 0.212 31.816 31.700 -0.160 0.000 0.787 612 G N -3.189 105.643 108.800 0.053 0.000 3.189 612 G HA2 -0.056 3.898 3.960 -0.010 0.000 0.225 612 G HA3 -0.056 3.898 3.960 -0.010 0.000 0.225 612 G C -0.286 174.670 174.900 0.092 0.000 1.159 612 G CA -0.119 45.017 45.100 0.059 0.000 0.763 612 G HN 0.306 nan 8.290 nan 0.000 0.549 613 Y N 1.733 121.994 120.300 -0.064 0.000 2.691 613 Y HA 0.184 4.728 4.550 -0.010 0.000 0.338 613 Y C 1.651 177.533 175.900 -0.029 0.000 1.148 613 Y CA -1.094 56.940 58.100 -0.110 0.000 1.430 613 Y CB 0.134 38.499 38.460 -0.158 0.000 1.303 613 Y HN 0.307 nan 8.280 nan 0.000 0.499 614 H N 4.055 123.235 119.070 0.183 0.000 2.289 614 H HA -0.239 4.311 4.556 -0.010 0.000 0.296 614 H C 1.829 177.173 175.328 0.027 0.000 1.091 614 H CA 2.484 58.584 56.048 0.087 0.000 1.274 614 H CB 0.324 30.134 29.762 0.081 0.000 1.364 614 H HN 0.721 nan 8.280 nan 0.000 0.490 615 M N 1.009 120.618 119.600 0.014 0.000 2.149 615 M HA -0.085 4.389 4.480 -0.010 0.000 0.261 615 M C 2.534 178.593 176.300 -0.402 0.000 1.064 615 M CA 1.850 57.066 55.300 -0.139 0.000 1.102 615 M CB -0.743 31.889 32.600 0.053 0.000 1.369 615 M HN 0.342 nan 8.290 nan 0.000 0.408 616 A N -0.488 121.852 122.820 -0.799 0.000 1.933 616 A HA -0.184 4.130 4.320 -0.010 0.000 0.218 616 A C 2.204 179.578 177.584 -0.349 0.000 1.175 616 A CA 1.829 53.423 52.037 -0.739 0.000 0.628 616 A CB -0.626 17.734 19.000 -1.065 0.000 0.814 616 A HN 0.586 nan 8.150 nan 0.000 0.444 617 K N -1.127 119.116 120.400 -0.261 0.000 2.155 617 K HA -0.006 4.307 4.320 -0.010 0.000 0.203 617 K C 1.847 178.374 176.600 -0.121 0.000 1.052 617 K CA 1.097 57.311 56.287 -0.121 0.000 0.948 617 K CB -0.168 32.319 32.500 -0.022 0.000 0.728 617 K HN 0.342 nan 8.250 nan 0.000 0.448 618 M N 0.416 119.899 119.600 -0.194 0.000 2.319 618 M HA -0.052 4.422 4.480 -0.010 0.000 0.265 618 M C 2.011 178.244 176.300 -0.112 0.000 1.068 618 M CA 1.325 56.556 55.300 -0.116 0.000 1.118 618 M CB -0.479 32.054 32.600 -0.111 0.000 1.395 618 M HN 0.130 nan 8.290 nan 0.000 0.435 619 I N -0.320 120.148 120.570 -0.171 0.000 2.353 619 I HA -0.268 3.896 4.170 -0.010 0.000 0.248 619 I C 2.243 178.236 176.117 -0.208 0.000 1.119 619 I CA 0.923 62.116 61.300 -0.179 0.000 1.417 619 I CB -0.235 37.658 38.000 -0.178 0.000 1.078 619 I HN 0.160 nan 8.210 nan 0.000 0.421 620 I N 0.744 121.170 120.570 -0.240 0.000 2.252 620 I HA -0.288 3.876 4.170 -0.010 0.000 0.245 620 I C 2.599 178.441 176.117 -0.458 0.000 1.102 620 I CA 1.190 62.258 61.300 -0.388 0.000 1.385 620 I CB -0.282 37.454 38.000 -0.439 0.000 1.064 620 I HN 0.145 nan 8.210 nan 0.000 0.414 621 K N 1.608 121.751 120.400 -0.429 0.000 2.057 621 K HA -0.157 4.157 4.320 -0.010 0.000 0.207 621 K C 2.047 178.487 176.600 -0.266 0.000 1.049 621 K CA 1.516 57.473 56.287 -0.549 0.000 0.931 621 K CB -0.585 31.335 32.500 -0.967 0.000 0.714 621 K HN 0.234 nan 8.250 nan 0.000 0.440 622 L N 0.372 121.474 121.223 -0.202 0.000 2.046 622 L HA -0.147 4.187 4.340 -0.010 0.000 0.208 622 L C 2.166 178.798 176.870 -0.396 0.000 1.077 622 L CA 1.637 56.189 54.840 -0.481 0.000 0.747 622 L CB -0.271 41.413 42.059 -0.624 0.000 0.896 622 L HN 0.273 nan 8.230 nan 0.000 0.432 623 I N -0.083 120.312 120.570 -0.291 0.000 2.163 623 I HA -0.332 3.832 4.170 -0.010 0.000 0.243 623 I C 2.620 178.637 176.117 -0.166 0.000 1.085 623 I CA 1.947 63.128 61.300 -0.197 0.000 1.347 623 I CB -0.559 37.409 38.000 -0.052 0.000 1.044 623 I HN 0.426 nan 8.210 nan 0.000 0.408 624 T N -0.917 113.514 114.554 -0.205 0.000 2.867 624 T HA -0.041 4.303 4.350 -0.010 0.000 0.268 624 T C 1.970 176.607 174.700 -0.104 0.000 1.057 624 T CA 0.882 62.892 62.100 -0.149 0.000 1.136 624 T CB -0.424 68.313 68.868 -0.219 0.000 0.874 624 T HN 0.335 nan 8.240 nan 0.000 0.466 625 A N 1.520 124.272 122.820 -0.114 0.000 1.930 625 A HA 0.149 4.463 4.320 -0.010 0.000 0.217 625 A C 2.374 179.969 177.584 0.018 0.000 1.175 625 A CA 1.220 53.257 52.037 -0.001 0.000 0.627 625 A CB -0.792 18.292 19.000 0.140 0.000 0.815 625 A HN 0.594 nan 8.150 nan 0.000 0.443 626 I N -0.411 120.060 120.570 -0.165 0.000 2.252 626 I HA -0.183 3.981 4.170 -0.010 0.000 0.245 626 I C 2.710 178.788 176.117 -0.065 0.000 1.102 626 I CA 1.109 62.282 61.300 -0.212 0.000 1.385 626 I CB -0.640 37.116 38.000 -0.406 0.000 1.064 626 I HN 0.395 nan 8.210 nan 0.000 0.414 627 G N 0.400 109.160 108.800 -0.067 0.000 2.418 627 G HA2 -0.254 3.700 3.960 -0.010 0.000 0.217 627 G HA3 -0.254 3.700 3.960 -0.010 0.000 0.217 627 G C 1.242 176.162 174.900 0.032 0.000 1.158 627 G CA 0.875 45.954 45.100 -0.035 0.000 0.771 627 G HN 0.273 nan 8.290 nan 0.000 0.545 628 D N -0.047 120.398 120.400 0.075 0.000 2.182 628 D HA -0.083 4.551 4.640 -0.010 0.000 0.201 628 D C 2.660 179.078 176.300 0.197 0.000 0.986 628 D CA 0.682 54.777 54.000 0.158 0.000 0.847 628 D CB -0.057 40.779 40.800 0.061 0.000 0.942 628 D HN 0.266 nan 8.370 nan 0.000 0.467 629 V N -0.166 119.809 119.914 0.101 0.000 2.426 629 V HA -0.102 4.012 4.120 -0.010 0.000 0.242 629 V C 2.540 178.622 176.094 -0.020 0.000 1.036 629 V CA 0.580 62.895 62.300 0.024 0.000 1.044 629 V CB -0.153 31.660 31.823 -0.017 0.000 0.688 629 V HN 0.013 nan 8.190 nan 0.000 0.462 630 V N 1.059 120.903 119.914 -0.116 0.000 2.295 630 V HA -0.206 3.907 4.120 -0.010 0.000 0.246 630 V C 2.189 178.275 176.094 -0.013 0.000 1.049 630 V CA 2.048 64.278 62.300 -0.116 0.000 1.024 630 V CB -0.883 30.860 31.823 -0.135 0.000 0.648 630 V HN 0.560 nan 8.190 nan 0.000 0.447 631 N N -0.193 118.451 118.700 -0.093 0.000 2.520 631 N HA -0.106 4.627 4.740 -0.010 0.000 0.185 631 N C 1.207 176.462 175.510 -0.426 0.000 1.068 631 N CA 0.999 53.892 53.050 -0.261 0.000 0.911 631 N CB -0.297 37.963 38.487 -0.379 0.000 0.961 631 N HN 0.687 nan 8.380 nan 0.000 0.446 632 H N -1.424 117.650 119.070 0.008 0.000 2.674 632 H HA 0.202 4.752 4.556 -0.010 0.000 0.274 632 H C -0.512 174.835 175.328 0.031 0.000 1.121 632 H CA -0.493 55.559 56.048 0.008 0.000 1.132 632 H CB 0.538 30.292 29.762 -0.012 0.000 1.606 632 H HN -0.002 nan 8.280 nan 0.000 0.558 633 D N 1.683 122.165 120.400 0.136 0.000 2.339 633 D HA 0.042 4.676 4.640 -0.010 0.000 0.241 633 D C -1.637 174.722 176.300 0.098 0.000 1.183 633 D CA -1.985 52.107 54.000 0.153 0.000 0.859 633 D CB 1.617 42.589 40.800 0.287 0.000 1.067 633 D HN 0.087 nan 8.370 nan 0.000 0.484 634 P HA -0.171 nan 4.420 nan 0.000 0.216 634 P C 1.596 178.917 177.300 0.034 0.000 1.153 634 P CA 0.585 63.713 63.100 0.046 0.000 0.858 634 P CB 0.385 32.108 31.700 0.038 0.000 0.789 635 V N -0.759 119.173 119.914 0.031 0.000 2.490 635 V HA -0.182 3.932 4.120 -0.010 0.000 0.250 635 V C 2.393 178.486 176.094 -0.002 0.000 1.061 635 V CA 1.594 63.897 62.300 0.005 0.000 1.064 635 V CB -1.061 30.751 31.823 -0.017 0.000 0.670 635 V HN -0.006 nan 8.190 nan 0.000 0.461 636 V N -0.270 119.658 119.914 0.024 0.000 2.379 636 V HA 0.122 4.235 4.120 -0.010 0.000 0.245 636 V C 1.778 177.878 176.094 0.010 0.000 1.044 636 V CA 1.451 63.765 62.300 0.022 0.000 1.036 636 V CB -1.235 30.647 31.823 0.099 0.000 0.664 636 V HN 0.740 nan 8.190 nan 0.000 0.453 637 G N 1.519 110.330 108.800 0.019 0.000 2.550 637 G HA2 -0.394 3.560 3.960 -0.010 0.000 0.277 637 G HA3 -0.394 3.560 3.960 -0.010 0.000 0.277 637 G C 0.205 175.110 174.900 0.007 0.000 1.190 637 G CA 0.544 45.651 45.100 0.013 0.000 0.971 637 G HN 0.742 nan 8.290 nan 0.000 0.559 638 D N -0.288 120.118 120.400 0.010 0.000 2.395 638 D HA 0.324 4.958 4.640 -0.010 0.000 0.226 638 D C 1.825 178.123 176.300 -0.003 0.000 1.146 638 D CA 0.148 54.154 54.000 0.011 0.000 0.830 638 D CB 0.160 40.977 40.800 0.028 0.000 0.958 638 D HN 0.534 nan 8.370 nan 0.000 0.501 639 R N -0.609 119.878 120.500 -0.021 0.000 2.200 639 R HA 0.231 4.565 4.340 -0.010 0.000 0.208 639 R C -0.216 176.047 176.300 -0.062 0.000 1.033 639 R CA 0.294 56.358 56.100 -0.058 0.000 1.000 639 R CB 0.212 30.459 30.300 -0.088 0.000 0.906 639 R HN 0.208 nan 8.270 nan 0.000 0.462 640 L N 0.639 121.842 121.223 -0.034 0.000 2.505 640 L HA 0.400 4.734 4.340 -0.010 0.000 0.266 640 L C -1.650 175.205 176.870 -0.026 0.000 0.954 640 L CA -0.536 54.284 54.840 -0.033 0.000 0.852 640 L CB 1.824 43.875 42.059 -0.013 0.000 1.282 640 L HN -0.190 nan 8.230 nan 0.000 0.403 641 R N 3.852 124.326 120.500 -0.044 0.000 2.628 641 R HA 0.760 5.094 4.340 -0.010 0.000 0.288 641 R C -1.632 174.625 176.300 -0.071 0.000 0.980 641 R CA -0.789 55.276 56.100 -0.058 0.000 0.891 641 R CB 2.329 32.596 30.300 -0.056 0.000 1.188 641 R HN 0.392 nan 8.270 nan 0.000 0.450 642 V N 4.830 124.700 119.914 -0.074 0.000 2.376 642 V HA 0.451 4.565 4.120 -0.010 0.000 0.287 642 V C -0.398 175.662 176.094 -0.057 0.000 1.015 642 V CA -0.701 61.556 62.300 -0.072 0.000 0.834 642 V CB 1.455 33.232 31.823 -0.077 0.000 1.001 642 V HN 0.505 nan 8.190 nan 0.000 0.428 643 I N 4.961 125.494 120.570 -0.061 0.000 2.474 643 I HA 0.459 4.623 4.170 -0.010 0.000 0.294 643 I C -0.610 175.492 176.117 -0.026 0.000 1.005 643 I CA -0.518 60.757 61.300 -0.041 0.000 1.113 643 I CB 1.814 39.770 38.000 -0.074 0.000 1.289 643 I HN 0.537 nan 8.210 nan 0.000 0.436 644 F N 6.947 126.836 119.950 -0.101 0.000 2.385 644 F HA 0.506 5.027 4.527 -0.010 0.000 0.360 644 F C -0.611 175.125 175.800 -0.106 0.000 1.122 644 F CA -0.769 57.170 58.000 -0.101 0.000 1.090 644 F CB 0.654 39.596 39.000 -0.097 0.000 1.150 644 F HN 0.145 nan 8.300 nan 0.000 0.472 645 L N 5.997 126.817 121.223 -0.673 0.000 2.407 645 L HA 0.140 4.474 4.340 -0.010 0.000 0.282 645 L C 0.372 176.979 176.870 -0.439 0.000 1.110 645 L CA 0.216 54.793 54.840 -0.438 0.000 0.863 645 L CB -0.039 41.848 42.059 -0.287 0.000 1.207 645 L HN 0.621 nan 8.230 nan 0.000 0.454 646 E N 3.329 123.406 120.200 -0.205 0.000 2.373 646 E HA -0.028 4.316 4.350 -0.010 0.000 0.267 646 E C 0.504 177.164 176.600 0.100 0.000 1.032 646 E CA -0.221 56.204 56.400 0.043 0.000 0.889 646 E CB 0.303 29.999 29.700 -0.007 0.000 0.984 646 E HN 0.540 nan 8.360 nan 0.000 0.425 647 N N 2.628 121.454 118.700 0.210 0.000 2.725 647 N HA -0.283 4.451 4.740 -0.010 0.000 0.251 647 N C -1.518 174.101 175.510 0.180 0.000 1.031 647 N CA 0.529 53.702 53.050 0.205 0.000 0.720 647 N CB -1.562 37.062 38.487 0.228 0.000 0.930 647 N HN 0.477 nan 8.380 nan 0.000 0.543 648 Y N 1.468 121.785 120.300 0.029 0.000 2.721 648 Y HA 0.151 4.694 4.550 -0.011 0.000 0.329 648 Y C 1.152 177.076 175.900 0.040 0.000 1.211 648 Y CA 0.665 58.767 58.100 0.003 0.000 1.512 648 Y CB 0.306 38.735 38.460 -0.052 0.000 1.249 648 Y HN 0.382 nan 8.280 nan 0.000 0.549 649 R N 2.368 122.556 120.500 -0.519 0.000 2.762 649 R HA 0.469 4.803 4.340 -0.010 0.000 0.271 649 R C -0.365 175.604 176.300 -0.552 0.000 1.038 649 R CA -0.616 55.249 56.100 -0.391 0.000 0.906 649 R CB 0.334 30.600 30.300 -0.057 0.000 1.259 649 R HN 0.339 nan 8.270 nan 0.000 0.457 650 V N 1.055 120.670 119.914 -0.499 0.000 2.282 650 V HA -0.296 3.817 4.120 -0.010 0.000 0.249 650 V C 2.589 178.558 176.094 -0.209 0.000 1.057 650 V CA 2.822 64.890 62.300 -0.387 0.000 1.032 650 V CB -0.819 30.738 31.823 -0.444 0.000 0.645 650 V HN 0.933 nan 8.190 nan 0.000 0.447 651 S N 0.055 115.660 115.700 -0.158 0.000 2.399 651 S HA -0.181 4.283 4.470 -0.010 0.000 0.231 651 S C 1.922 176.482 174.600 -0.067 0.000 1.022 651 S CA 1.708 59.848 58.200 -0.099 0.000 0.983 651 S CB -0.506 62.670 63.200 -0.040 0.000 0.803 651 S HN 0.405 nan 8.310 nan 0.000 0.480 652 L N 1.854 123.043 121.223 -0.058 0.000 2.131 652 L HA 0.361 4.695 4.340 -0.010 0.000 0.206 652 L C 2.654 179.537 176.870 0.022 0.000 1.087 652 L CA 1.349 56.197 54.840 0.013 0.000 0.767 652 L CB -1.254 40.872 42.059 0.111 0.000 0.917 652 L HN 0.346 nan 8.230 nan 0.000 0.441 653 A N -0.630 122.178 122.820 -0.020 0.000 1.933 653 A HA -0.231 4.083 4.320 -0.010 0.000 0.218 653 A C 2.121 179.765 177.584 0.100 0.000 1.175 653 A CA 1.814 53.916 52.037 0.108 0.000 0.628 653 A CB -0.605 18.436 19.000 0.069 0.000 0.814 653 A HN 0.598 nan 8.150 nan 0.000 0.444 654 E N -0.434 119.801 120.200 0.058 0.000 2.265 654 E HA -0.158 4.186 4.350 -0.010 0.000 0.196 654 E C 1.853 178.420 176.600 -0.055 0.000 0.996 654 E CA 1.154 57.545 56.400 -0.016 0.000 0.832 654 E CB -0.045 29.554 29.700 -0.168 0.000 0.756 654 E HN 0.626 nan 8.360 nan 0.000 0.491 655 K N 0.007 120.360 120.400 -0.079 0.000 2.141 655 K HA 0.031 4.345 4.320 -0.010 0.000 0.202 655 K C 2.134 178.551 176.600 -0.305 0.000 1.045 655 K CA 0.411 56.636 56.287 -0.104 0.000 0.971 655 K CB 0.066 32.513 32.500 -0.089 0.000 0.795 655 K HN -0.048 nan 8.250 nan 0.000 0.459 656 V N 1.854 121.495 119.914 -0.455 0.000 2.591 656 V HA -0.106 4.008 4.120 -0.010 0.000 0.249 656 V C 1.854 177.692 176.094 -0.427 0.000 1.053 656 V CA 1.138 62.938 62.300 -0.833 0.000 1.068 656 V CB -0.156 31.292 31.823 -0.625 0.000 0.689 656 V HN 0.236 nan 8.190 nan 0.000 0.462 657 I N 0.724 121.104 120.570 -0.316 0.000 2.179 657 I HA -0.127 4.037 4.170 -0.010 0.000 0.242 657 I C -0.263 175.732 176.117 -0.202 0.000 1.088 657 I CA 1.590 62.636 61.300 -0.424 0.000 1.357 657 I CB -1.514 36.128 38.000 -0.597 0.000 1.051 657 I HN 0.364 nan 8.210 nan 0.000 0.409 658 P HA -0.101 nan 4.420 nan 0.000 0.222 658 P C 1.010 178.306 177.300 -0.006 0.000 1.147 658 P CA 1.190 64.265 63.100 -0.041 0.000 0.790 658 P CB 0.058 31.743 31.700 -0.025 0.000 0.780 659 A N -1.146 121.651 122.820 -0.038 0.000 2.238 659 A HA 0.454 4.768 4.320 -0.010 0.000 0.210 659 A C 1.182 178.878 177.584 0.185 0.000 1.179 659 A CA 0.134 52.210 52.037 0.064 0.000 0.827 659 A CB -0.679 18.357 19.000 0.059 0.000 0.856 659 A HN 0.195 nan 8.150 nan 0.000 0.488 660 A N -0.165 122.757 122.820 0.168 0.000 2.340 660 A HA 0.480 4.794 4.320 -0.010 0.000 0.268 660 A C 0.351 178.086 177.584 0.251 0.000 1.100 660 A CA -0.140 52.063 52.037 0.276 0.000 0.803 660 A CB 0.366 19.618 19.000 0.420 0.000 1.043 660 A HN 0.260 nan 8.150 nan 0.000 0.488 661 D N 0.258 120.803 120.400 0.242 0.000 2.431 661 D HA 0.134 4.767 4.640 -0.010 0.000 0.235 661 D C 0.013 176.534 176.300 0.368 0.000 0.980 661 D CA 0.685 54.874 54.000 0.315 0.000 0.912 661 D CB 0.303 41.187 40.800 0.139 0.000 1.056 661 D HN 0.366 nan 8.370 nan 0.000 0.494 662 L N 1.101 122.425 121.223 0.167 0.000 2.356 662 L HA 0.312 4.645 4.340 -0.010 0.000 0.277 662 L C -0.838 175.925 176.870 -0.180 0.000 0.996 662 L CA -0.316 54.551 54.840 0.044 0.000 0.822 662 L CB 2.060 44.120 42.059 0.003 0.000 1.256 662 L HN -0.182 nan 8.230 nan 0.000 0.413 663 S N 4.278 119.783 115.700 -0.326 0.000 2.429 663 S HA 0.334 4.797 4.470 -0.010 0.000 0.302 663 S C -0.430 173.900 174.600 -0.449 0.000 1.115 663 S CA -0.684 57.072 58.200 -0.740 0.000 1.095 663 S CB 0.668 63.367 63.200 -0.834 0.000 0.987 663 S HN 0.561 nan 8.310 nan 0.000 0.474 664 E N 4.091 124.035 120.200 -0.426 0.000 2.089 664 E HA 0.220 4.564 4.350 -0.010 0.000 0.284 664 E C -0.564 175.920 176.600 -0.192 0.000 1.023 664 E CA -0.428 55.845 56.400 -0.211 0.000 0.819 664 E CB 1.018 30.623 29.700 -0.157 0.000 1.076 664 E HN 0.593 nan 8.360 nan 0.000 0.396 665 Q N 2.776 122.518 119.800 -0.097 0.000 3.064 665 Q HA 0.263 4.597 4.340 -0.010 0.000 0.258 665 Q C 0.577 176.557 176.000 -0.033 0.000 0.972 665 Q CA -0.122 55.636 55.803 -0.076 0.000 0.761 665 Q CB 0.281 28.987 28.738 -0.053 0.000 1.281 665 Q HN 0.622 nan 8.270 nan 0.000 0.455 666 I N -1.626 118.913 120.570 -0.053 0.000 3.736 666 I HA 0.273 4.437 4.170 -0.010 0.000 0.338 666 I C 0.432 176.494 176.117 -0.093 0.000 1.558 666 I CA -0.646 60.627 61.300 -0.045 0.000 1.147 666 I CB 0.321 38.296 38.000 -0.042 0.000 1.275 666 I HN 0.004 nan 8.210 nan 0.000 0.454 667 S N 0.390 116.040 115.700 -0.083 0.000 2.576 667 S HA 0.188 4.651 4.470 -0.010 0.000 0.272 667 S C 0.561 175.146 174.600 -0.025 0.000 1.352 667 S CA -0.293 57.882 58.200 -0.041 0.000 1.021 667 S CB 0.395 63.624 63.200 0.049 0.000 0.887 667 S HN 0.388 nan 8.310 nan 0.000 0.542 668 T N 2.603 117.179 114.554 0.038 0.000 2.902 668 T HA 0.402 4.746 4.350 -0.010 0.000 0.301 668 T C 0.735 175.446 174.700 0.019 0.000 1.012 668 T CA 0.227 62.353 62.100 0.044 0.000 1.151 668 T CB 0.066 69.037 68.868 0.171 0.000 0.946 668 T HN 1.005 nan 8.240 nan 0.000 0.542 669 A N 2.679 125.478 122.820 -0.036 0.000 2.580 669 A HA 0.441 4.755 4.320 -0.010 0.000 0.244 669 A C 1.636 179.212 177.584 -0.014 0.000 1.045 669 A CA 0.330 52.341 52.037 -0.043 0.000 0.761 669 A CB -0.921 18.041 19.000 -0.063 0.000 0.962 669 A HN 1.709 nan 8.150 nan 0.000 0.512 670 G N 1.426 110.215 108.800 -0.018 0.000 2.176 670 G HA2 -0.234 3.720 3.960 -0.010 0.000 0.232 670 G HA3 -0.234 3.720 3.960 -0.010 0.000 0.232 670 G C 0.828 175.712 174.900 -0.027 0.000 0.986 670 G CA 1.125 46.216 45.100 -0.015 0.000 0.643 670 G HN 2.004 nan 8.290 nan 0.000 0.522 671 T N -2.638 111.895 114.554 -0.036 0.000 3.018 671 T HA 0.413 4.756 4.350 -0.010 0.000 0.246 671 T C 0.726 175.251 174.700 -0.293 0.000 1.026 671 T CA 1.018 63.023 62.100 -0.157 0.000 1.081 671 T CB 0.574 69.391 68.868 -0.086 0.000 0.970 671 T HN 0.265 nan 8.240 nan 0.000 0.475 672 E N 1.625 121.788 120.200 -0.061 0.000 2.052 672 E HA 0.665 5.009 4.350 -0.010 0.000 0.283 672 E C 1.195 177.737 176.600 -0.097 0.000 1.071 672 E CA 0.067 56.477 56.400 0.015 0.000 0.851 672 E CB 0.749 30.520 29.700 0.119 0.000 1.066 672 E HN 0.346 nan 8.360 nan 0.000 0.396 673 A N 3.425 126.112 122.820 -0.223 0.000 1.903 673 A HA -0.248 4.066 4.320 -0.010 0.000 0.219 673 A C 1.985 179.440 177.584 -0.215 0.000 1.191 673 A CA 2.396 54.170 52.037 -0.438 0.000 0.638 673 A CB -0.306 18.234 19.000 -0.766 0.000 0.823 673 A HN 0.610 nan 8.150 nan 0.000 0.451 674 S N -4.124 111.509 115.700 -0.111 0.000 3.984 674 S HA 0.455 4.918 4.470 -0.010 0.000 0.221 674 S C 0.641 175.224 174.600 -0.028 0.000 1.149 674 S CA 1.382 59.560 58.200 -0.036 0.000 0.950 674 S CB -0.061 63.142 63.200 0.006 0.000 1.216 674 S HN 2.320 nan 8.310 nan 0.000 0.547 675 G N 0.312 109.100 108.800 -0.020 0.000 2.719 675 G HA2 -0.019 3.935 3.960 -0.010 0.000 0.686 675 G HA3 -0.019 3.935 3.960 -0.010 0.000 0.686 675 G C 0.217 175.090 174.900 -0.045 0.000 1.201 675 G CA 0.453 45.539 45.100 -0.024 0.000 0.768 675 G HN 1.307 nan 8.290 nan 0.000 0.629 676 T N -1.907 112.606 114.554 -0.068 0.000 3.010 676 T HA 0.376 4.719 4.350 -0.010 0.000 0.253 676 T C 2.365 176.961 174.700 -0.174 0.000 0.939 676 T CA 1.252 63.284 62.100 -0.115 0.000 0.910 676 T CB 0.309 69.100 68.868 -0.129 0.000 1.226 676 T HN 1.883 nan 8.240 nan 0.000 0.508 677 G N 3.119 111.844 108.800 -0.125 0.000 2.442 677 G HA2 -0.260 3.694 3.960 -0.010 0.000 0.219 677 G HA3 -0.260 3.694 3.960 -0.010 0.000 0.219 677 G C 1.460 176.404 174.900 0.074 0.000 1.141 677 G CA 1.160 46.207 45.100 -0.089 0.000 0.763 677 G HN 0.830 nan 8.290 nan 0.000 0.554 678 N N 0.132 118.858 118.700 0.043 0.000 2.149 678 N HA -0.154 4.580 4.740 -0.010 0.000 0.188 678 N C 2.208 177.725 175.510 0.012 0.000 1.019 678 N CA 1.342 54.424 53.050 0.053 0.000 0.857 678 N CB -0.355 38.113 38.487 -0.031 0.000 0.997 678 N HN 0.346 nan 8.380 nan 0.000 0.426 679 M N 0.802 120.340 119.600 -0.103 0.000 2.175 679 M HA -0.028 4.446 4.480 -0.010 0.000 0.264 679 M C 1.998 178.256 176.300 -0.071 0.000 1.063 679 M CA 1.437 56.661 55.300 -0.128 0.000 1.119 679 M CB -0.081 32.445 32.600 -0.124 0.000 1.377 679 M HN 0.108 nan 8.290 nan 0.000 0.415 680 K N 0.022 120.309 120.400 -0.189 0.000 2.057 680 K HA -0.119 4.195 4.320 -0.010 0.000 0.207 680 K C 1.707 178.196 176.600 -0.184 0.000 1.049 680 K CA 1.392 57.506 56.287 -0.289 0.000 0.931 680 K CB -0.295 31.805 32.500 -0.667 0.000 0.714 680 K HN 0.158 nan 8.250 nan 0.000 0.440 681 F N 1.092 120.979 119.950 -0.105 0.000 2.146 681 F HA -0.104 4.417 4.527 -0.011 0.000 0.298 681 F C 2.562 178.342 175.800 -0.034 0.000 1.096 681 F CA 1.168 59.130 58.000 -0.063 0.000 1.275 681 F CB -0.286 38.665 39.000 -0.082 0.000 1.008 681 F HN -0.011 nan 8.300 nan 0.000 0.480 682 M N -0.483 119.211 119.600 0.156 0.000 2.159 682 M HA -0.181 4.293 4.480 -0.010 0.000 0.263 682 M C 2.046 178.408 176.300 0.104 0.000 1.063 682 M CA 1.548 56.913 55.300 0.108 0.000 1.110 682 M CB -0.207 32.458 32.600 0.108 0.000 1.374 682 M HN 0.257 nan 8.290 nan 0.000 0.411 683 L N 0.785 122.066 121.223 0.097 0.000 2.291 683 L HA -0.050 4.284 4.340 -0.010 0.000 0.214 683 L C 1.235 178.155 176.870 0.084 0.000 1.120 683 L CA 1.533 56.435 54.840 0.104 0.000 0.799 683 L CB -0.560 41.569 42.059 0.118 0.000 0.925 683 L HN 0.344 nan 8.230 nan 0.000 0.446 684 N N -0.136 118.603 118.700 0.066 0.000 2.251 684 N HA 0.177 4.911 4.740 -0.010 0.000 0.217 684 N C 0.830 176.380 175.510 0.066 0.000 1.124 684 N CA 0.775 53.857 53.050 0.053 0.000 0.843 684 N CB 0.551 39.047 38.487 0.014 0.000 1.024 684 N HN 0.393 nan 8.380 nan 0.000 0.501 685 G N 0.502 109.346 108.800 0.074 0.000 2.142 685 G HA2 -0.196 3.758 3.960 -0.010 0.000 0.225 685 G HA3 -0.196 3.758 3.960 -0.010 0.000 0.225 685 G C -0.041 174.933 174.900 0.124 0.000 1.015 685 G CA 0.146 45.291 45.100 0.076 0.000 0.716 685 G HN 0.524 nan 8.290 nan 0.000 0.508 686 A N -0.333 122.569 122.820 0.136 0.000 2.340 686 A HA 0.890 5.204 4.320 -0.010 0.000 0.331 686 A C 0.329 177.925 177.584 0.020 0.000 1.140 686 A CA -0.658 51.481 52.037 0.169 0.000 0.801 686 A CB 1.162 20.325 19.000 0.272 0.000 1.234 686 A HN 0.678 nan 8.150 nan 0.000 0.469 687 L N 0.720 121.919 121.223 -0.040 0.000 2.439 687 L HA 0.486 4.820 4.340 -0.010 0.000 0.259 687 L C 0.197 176.938 176.870 -0.215 0.000 1.129 687 L CA -0.373 54.329 54.840 -0.230 0.000 0.803 687 L CB 1.571 43.407 42.059 -0.371 0.000 1.161 687 L HN 0.701 nan 8.230 nan 0.000 0.462 688 T N 2.335 116.626 114.554 -0.438 0.000 2.807 688 T HA 0.475 4.819 4.350 -0.010 0.000 0.279 688 T C -0.510 174.078 174.700 -0.186 0.000 0.993 688 T CA -0.270 61.569 62.100 -0.436 0.000 0.970 688 T CB 1.629 70.031 68.868 -0.775 0.000 0.950 688 T HN 0.354 nan 8.240 nan 0.000 0.441 689 I N 2.874 123.429 120.570 -0.025 0.000 2.355 689 I HA 0.727 4.891 4.170 -0.010 0.000 0.288 689 I C 0.039 176.309 176.117 0.255 0.000 0.999 689 I CA 0.074 61.477 61.300 0.171 0.000 1.163 689 I CB 0.343 38.379 38.000 0.061 0.000 1.316 689 I HN 0.795 nan 8.210 nan 0.000 0.454 690 G N 3.916 112.934 108.800 0.363 0.000 2.559 690 G HA2 0.450 4.404 3.960 -0.010 0.000 0.291 690 G HA3 0.450 4.404 3.960 -0.010 0.000 0.291 690 G C -0.945 173.877 174.900 -0.131 0.000 1.424 690 G CA -0.381 44.837 45.100 0.196 0.000 0.786 690 G HN 0.569 nan 8.290 nan 0.000 0.485 691 T N -1.455 112.899 114.554 -0.333 0.000 2.874 691 T HA 0.520 4.863 4.350 -0.010 0.000 0.281 691 T C 0.715 175.300 174.700 -0.193 0.000 0.994 691 T CA -0.688 61.145 62.100 -0.445 0.000 1.015 691 T CB 1.179 69.793 68.868 -0.422 0.000 1.028 691 T HN 0.263 nan 8.240 nan 0.000 0.523 692 M N 2.908 122.406 119.600 -0.170 0.000 3.436 692 M HA 0.315 4.789 4.480 -0.010 0.000 0.240 692 M C -0.446 175.801 176.300 -0.088 0.000 1.469 692 M CA -0.025 55.212 55.300 -0.106 0.000 1.622 692 M CB -1.755 30.791 32.600 -0.090 0.000 1.098 692 M HN 0.732 nan 8.290 nan 0.000 0.568 693 D N -0.063 120.291 120.400 -0.078 0.000 2.601 693 D HA 0.679 5.313 4.640 -0.010 0.000 0.230 693 D C 0.728 177.003 176.300 -0.041 0.000 1.106 693 D CA 0.699 54.667 54.000 -0.054 0.000 0.873 693 D CB 1.751 42.521 40.800 -0.051 0.000 1.515 693 D HN 0.594 nan 8.370 nan 0.000 0.468 694 G N 1.634 110.418 108.800 -0.026 0.000 2.627 694 G HA2 -0.265 3.689 3.960 -0.010 0.000 0.312 694 G HA3 -0.265 3.689 3.960 -0.010 0.000 0.312 694 G C 1.055 175.942 174.900 -0.021 0.000 1.299 694 G CA 1.189 46.277 45.100 -0.020 0.000 0.989 694 G HN 1.053 nan 8.290 nan 0.000 0.547 695 A N -0.404 122.396 122.820 -0.032 0.000 2.168 695 A HA 0.074 4.388 4.320 -0.010 0.000 0.215 695 A C 2.121 179.630 177.584 -0.125 0.000 1.152 695 A CA 1.903 53.910 52.037 -0.051 0.000 0.716 695 A CB -0.464 18.486 19.000 -0.084 0.000 0.794 695 A HN 0.630 nan 8.150 nan 0.000 0.465 696 N N 0.493 119.132 118.700 -0.102 0.000 2.137 696 N HA -0.154 4.579 4.740 -0.010 0.000 0.190 696 N C 1.576 176.964 175.510 -0.204 0.000 1.017 696 N CA 1.607 54.594 53.050 -0.105 0.000 0.859 696 N CB -0.600 37.876 38.487 -0.020 0.000 1.002 696 N HN 0.294 nan 8.380 nan 0.000 0.428 697 V N 1.221 121.055 119.914 -0.132 0.000 2.295 697 V HA -0.211 3.903 4.120 -0.010 0.000 0.246 697 V C 1.951 177.970 176.094 -0.126 0.000 1.049 697 V CA 1.684 63.906 62.300 -0.130 0.000 1.024 697 V CB -0.494 31.286 31.823 -0.071 0.000 0.648 697 V HN 0.358 nan 8.190 nan 0.000 0.447 698 E N -0.564 119.613 120.200 -0.039 0.000 2.152 698 E HA -0.143 4.200 4.350 -0.010 0.000 0.192 698 E C 2.207 178.894 176.600 0.144 0.000 0.983 698 E CA 1.079 57.527 56.400 0.081 0.000 0.818 698 E CB -0.192 29.644 29.700 0.228 0.000 0.758 698 E HN 0.541 nan 8.360 nan 0.000 0.467 699 M N 0.508 120.076 119.600 -0.054 0.000 2.086 699 M HA -0.143 4.331 4.480 -0.010 0.000 0.261 699 M C 2.499 178.511 176.300 -0.480 0.000 1.067 699 M CA 1.575 56.766 55.300 -0.182 0.000 1.116 699 M CB -0.195 32.170 32.600 -0.392 0.000 1.348 699 M HN 0.139 nan 8.290 nan 0.000 0.407 700 A N -0.200 122.063 122.820 -0.929 0.000 1.933 700 A HA -0.214 4.099 4.320 -0.010 0.000 0.218 700 A C 1.983 179.355 177.584 -0.354 0.000 1.175 700 A CA 1.931 53.396 52.037 -0.952 0.000 0.628 700 A CB -0.793 17.733 19.000 -0.789 0.000 0.814 700 A HN 0.593 nan 8.150 nan 0.000 0.444 701 E N -0.420 119.647 120.200 -0.222 0.000 2.106 701 E HA -0.203 4.141 4.350 -0.010 0.000 0.192 701 E C 1.758 178.321 176.600 -0.062 0.000 0.984 701 E CA 1.189 57.525 56.400 -0.107 0.000 0.806 701 E CB -0.053 29.606 29.700 -0.067 0.000 0.750 701 E HN 0.551 nan 8.360 nan 0.000 0.458 702 E N 0.052 120.238 120.200 -0.024 0.000 2.072 702 E HA -0.112 4.231 4.350 -0.010 0.000 0.190 702 E C 1.827 178.439 176.600 0.019 0.000 0.982 702 E CA 1.120 57.528 56.400 0.015 0.000 0.803 702 E CB -0.111 29.644 29.700 0.093 0.000 0.755 702 E HN 0.353 nan 8.360 nan 0.000 0.453 703 A N 0.312 123.144 122.820 0.021 0.000 2.081 703 A HA 0.353 4.667 4.320 -0.010 0.000 0.214 703 A C 1.020 178.615 177.584 0.018 0.000 1.158 703 A CA 1.063 53.132 52.037 0.054 0.000 0.724 703 A CB 0.111 19.204 19.000 0.154 0.000 0.826 703 A HN 0.243 nan 8.150 nan 0.000 0.463 704 G N -0.435 108.349 108.800 -0.028 0.000 3.225 704 G HA2 -0.075 3.879 3.960 -0.010 0.000 0.686 704 G HA3 -0.075 3.879 3.960 -0.010 0.000 0.686 704 G C -0.054 174.826 174.900 -0.033 0.000 1.105 704 G CA -0.020 45.060 45.100 -0.033 0.000 0.831 704 G HN 0.239 nan 8.290 nan 0.000 0.578 705 E N 0.983 121.153 120.200 -0.051 0.000 2.209 705 E HA -0.177 4.167 4.350 -0.010 0.000 0.196 705 E C 1.972 178.559 176.600 -0.022 0.000 0.993 705 E CA 1.740 58.120 56.400 -0.034 0.000 0.819 705 E CB 0.083 29.761 29.700 -0.036 0.000 0.745 705 E HN 0.769 nan 8.360 nan 0.000 0.477 706 E N 0.726 120.900 120.200 -0.042 0.000 2.338 706 E HA -0.088 4.255 4.350 -0.010 0.000 0.197 706 E C 0.947 177.462 176.600 -0.143 0.000 1.007 706 E CA 0.628 56.982 56.400 -0.076 0.000 0.849 706 E CB -0.017 29.651 29.700 -0.054 0.000 0.774 706 E HN 0.169 nan 8.360 nan 0.000 0.506 707 N N -0.344 118.299 118.700 -0.095 0.000 2.251 707 N HA 0.145 4.879 4.740 -0.010 0.000 0.217 707 N C -0.946 174.477 175.510 -0.145 0.000 1.124 707 N CA 0.079 53.042 53.050 -0.145 0.000 0.843 707 N CB 0.411 38.871 38.487 -0.045 0.000 1.024 707 N HN 0.043 nan 8.380 nan 0.000 0.501 708 F N -0.366 119.353 119.950 -0.384 0.000 2.576 708 F HA 0.409 4.929 4.527 -0.011 0.000 0.313 708 F C -0.764 174.789 175.800 -0.411 0.000 1.078 708 F CA -1.116 56.690 58.000 -0.323 0.000 0.921 708 F CB 1.326 40.241 39.000 -0.143 0.000 1.232 708 F HN -0.217 nan 8.300 nan 0.000 0.459 709 F N 4.960 124.916 119.950 0.010 0.000 2.359 709 F HA 0.415 4.936 4.527 -0.010 0.000 0.355 709 F C -0.409 175.518 175.800 0.211 0.000 1.132 709 F CA -0.580 57.462 58.000 0.071 0.000 1.246 709 F CB -0.171 38.820 39.000 -0.015 0.000 1.569 709 F HN 0.018 nan 8.300 nan 0.000 0.561 710 I N 3.846 124.612 120.570 0.327 0.000 2.440 710 I HA 0.421 4.585 4.170 -0.010 0.000 0.294 710 I C -0.089 176.212 176.117 0.307 0.000 0.995 710 I CA -0.573 60.884 61.300 0.262 0.000 1.306 710 I CB 0.456 38.534 38.000 0.130 0.000 1.407 710 I HN 0.337 nan 8.210 nan 0.000 0.501 711 F N 2.583 122.596 119.950 0.105 0.000 2.745 711 F HA 0.922 5.443 4.527 -0.011 0.000 0.316 711 F C 0.070 175.908 175.800 0.063 0.000 1.155 711 F CA -0.677 57.376 58.000 0.088 0.000 0.937 711 F CB 0.843 39.909 39.000 0.110 0.000 1.361 711 F HN 0.907 nan 8.300 nan 0.000 0.472 712 G N 0.918 109.776 108.800 0.097 0.000 2.796 712 G HA2 -0.072 3.881 3.960 -0.010 0.000 0.571 712 G HA3 -0.072 3.881 3.960 -0.010 0.000 0.571 712 G C -0.868 174.000 174.900 -0.054 0.000 1.370 712 G CA -0.563 44.519 45.100 -0.030 0.000 0.856 712 G HN 0.952 nan 8.290 nan 0.000 0.538 713 M N 0.679 120.259 119.600 -0.033 0.000 2.248 713 M HA 0.308 4.782 4.480 -0.010 0.000 0.337 713 M C 1.176 177.441 176.300 -0.059 0.000 1.121 713 M CA 0.020 55.309 55.300 -0.019 0.000 1.155 713 M CB 0.362 32.960 32.600 -0.003 0.000 1.514 713 M HN 0.526 nan 8.290 nan 0.000 0.452 714 R N 1.232 121.710 120.500 -0.035 0.000 2.608 714 R HA 0.330 4.663 4.340 -0.010 0.000 0.255 714 R C 1.202 177.482 176.300 -0.033 0.000 1.086 714 R CA -0.609 55.465 56.100 -0.044 0.000 1.125 714 R CB 0.134 30.416 30.300 -0.030 0.000 1.193 714 R HN 0.573 nan 8.270 nan 0.000 0.553 715 V N 1.468 121.362 119.914 -0.034 0.000 2.324 715 V HA -0.271 3.843 4.120 -0.010 0.000 0.250 715 V C 1.819 177.902 176.094 -0.018 0.000 1.060 715 V CA 2.017 64.301 62.300 -0.027 0.000 1.042 715 V CB -0.473 31.333 31.823 -0.029 0.000 0.650 715 V HN 0.614 nan 8.190 nan 0.000 0.450 716 E N 0.164 120.356 120.200 -0.015 0.000 2.110 716 E HA -0.181 4.163 4.350 -0.010 0.000 0.193 716 E C 1.965 178.568 176.600 0.005 0.000 0.988 716 E CA 1.347 57.744 56.400 -0.006 0.000 0.804 716 E CB -0.406 29.292 29.700 -0.004 0.000 0.745 716 E HN 0.626 nan 8.360 nan 0.000 0.458 717 D N -0.194 120.210 120.400 0.007 0.000 2.144 717 D HA -0.090 4.544 4.640 -0.010 0.000 0.200 717 D C 1.951 178.265 176.300 0.023 0.000 0.978 717 D CA 0.813 54.827 54.000 0.024 0.000 0.833 717 D CB 0.009 40.826 40.800 0.028 0.000 0.961 717 D HN 0.066 nan 8.370 nan 0.000 0.470 718 V N 1.919 121.835 119.914 0.002 0.000 2.343 718 V HA -0.199 3.914 4.120 -0.010 0.000 0.247 718 V C 2.006 178.100 176.094 -0.001 0.000 1.051 718 V CA 1.598 63.892 62.300 -0.010 0.000 1.036 718 V CB -0.366 31.441 31.823 -0.027 0.000 0.654 718 V HN 0.055 nan 8.190 nan 0.000 0.451 719 D N -0.059 120.341 120.400 0.000 0.000 2.117 719 D HA -0.157 4.477 4.640 -0.010 0.000 0.197 719 D C 2.410 178.722 176.300 0.020 0.000 0.987 719 D CA 1.241 55.244 54.000 0.004 0.000 0.829 719 D CB -0.220 40.580 40.800 -0.001 0.000 0.961 719 D HN 0.373 nan 8.370 nan 0.000 0.460 720 R N 0.221 120.738 120.500 0.028 0.000 2.091 720 R HA -0.039 4.295 4.340 -0.010 0.000 0.238 720 R C 2.546 178.882 176.300 0.061 0.000 1.136 720 R CA 0.516 56.640 56.100 0.041 0.000 0.959 720 R CB -0.338 29.988 30.300 0.044 0.000 0.856 720 R HN 0.195 nan 8.270 nan 0.000 0.437 721 L N 0.617 121.885 121.223 0.075 0.000 2.056 721 L HA -0.210 4.124 4.340 -0.010 0.000 0.207 721 L C 1.554 178.491 176.870 0.113 0.000 1.078 721 L CA 1.333 56.245 54.840 0.120 0.000 0.749 721 L CB -0.273 41.869 42.059 0.138 0.000 0.901 721 L HN 0.248 nan 8.230 nan 0.000 0.433 722 D N -0.582 119.858 120.400 0.066 0.000 2.117 722 D HA -0.195 4.439 4.640 -0.010 0.000 0.198 722 D C 2.200 178.533 176.300 0.054 0.000 0.982 722 D CA 1.075 55.108 54.000 0.056 0.000 0.828 722 D CB -0.076 40.735 40.800 0.018 0.000 0.967 722 D HN 0.442 nan 8.370 nan 0.000 0.464 723 Q N 0.135 119.962 119.800 0.044 0.000 2.124 723 Q HA -0.126 4.208 4.340 -0.010 0.000 0.202 723 Q C 2.207 178.234 176.000 0.046 0.000 0.977 723 Q CA 0.902 56.727 55.803 0.038 0.000 0.850 723 Q CB 0.013 28.770 28.738 0.030 0.000 0.901 723 Q HN 0.171 nan 8.270 nan 0.000 0.429 724 R N -0.119 120.417 120.500 0.060 0.000 2.127 724 R HA 0.046 4.380 4.340 -0.010 0.000 0.217 724 R C -0.157 176.186 176.300 0.071 0.000 1.074 724 R CA 0.893 57.031 56.100 0.062 0.000 0.991 724 R CB 0.421 30.764 30.300 0.071 0.000 0.895 724 R HN 0.241 nan 8.270 nan 0.000 0.450 725 G N 0.482 109.340 108.800 0.096 0.000 3.448 725 G HA2 -0.247 3.707 3.960 -0.010 0.000 0.685 725 G HA3 -0.247 3.707 3.960 -0.010 0.000 0.685 725 G C -1.366 173.630 174.900 0.161 0.000 1.151 725 G CA -0.379 44.786 45.100 0.108 0.000 1.023 725 G HN 0.274 nan 8.290 nan 0.000 0.499 726 Y N 3.834 124.170 120.300 0.060 0.000 2.480 726 Y HA 0.526 5.069 4.550 -0.010 0.000 0.341 726 Y C 0.355 176.314 175.900 0.098 0.000 1.031 726 Y CA -0.840 57.314 58.100 0.091 0.000 1.295 726 Y CB 0.881 39.374 38.460 0.056 0.000 1.162 726 Y HN 0.552 nan 8.280 nan 0.000 0.523 727 N N 5.279 123.761 118.700 -0.363 0.000 2.569 727 N HA 0.265 4.999 4.740 -0.010 0.000 0.254 727 N C 0.190 175.457 175.510 -0.406 0.000 1.004 727 N CA 0.365 53.217 53.050 -0.330 0.000 0.904 727 N CB 1.529 39.949 38.487 -0.112 0.000 1.165 727 N HN 0.879 nan 8.380 nan 0.000 0.513 728 A N 3.010 125.488 122.820 -0.569 0.000 1.972 728 A HA -0.212 4.101 4.320 -0.010 0.000 0.219 728 A C 1.914 179.621 177.584 0.204 0.000 1.169 728 A CA 1.420 53.356 52.037 -0.168 0.000 0.635 728 A CB -0.313 18.505 19.000 -0.303 0.000 0.810 728 A HN 0.731 nan 8.150 nan 0.000 0.446 729 Q N 0.308 120.123 119.800 0.026 0.000 2.152 729 Q HA -0.238 4.095 4.340 -0.010 0.000 0.206 729 Q C 1.873 177.942 176.000 0.114 0.000 0.985 729 Q CA 2.327 58.162 55.803 0.054 0.000 0.863 729 Q CB -0.379 28.346 28.738 -0.023 0.000 0.904 729 Q HN 0.785 nan 8.270 nan 0.000 0.422 730 E N -1.416 118.800 120.200 0.027 0.000 2.085 730 E HA -0.241 4.103 4.350 -0.010 0.000 0.194 730 E C 1.534 178.067 176.600 -0.111 0.000 0.994 730 E CA 1.478 57.823 56.400 -0.091 0.000 0.801 730 E CB -0.240 29.311 29.700 -0.248 0.000 0.743 730 E HN 0.596 nan 8.360 nan 0.000 0.453 731 Y N -1.102 119.265 120.300 0.113 0.000 2.242 731 Y HA -0.187 4.357 4.550 -0.010 0.000 0.291 731 Y C 2.196 178.094 175.900 -0.003 0.000 1.137 731 Y CA 1.437 59.588 58.100 0.085 0.000 1.181 731 Y CB -0.663 37.895 38.460 0.162 0.000 0.989 731 Y HN 0.236 nan 8.280 nan 0.000 0.527 732 Y N 1.293 121.623 120.300 0.050 0.000 2.224 732 Y HA -0.253 4.291 4.550 -0.010 0.000 0.289 732 Y C 1.747 177.612 175.900 -0.058 0.000 1.146 732 Y CA 1.771 59.823 58.100 -0.079 0.000 1.182 732 Y CB -0.360 38.106 38.460 0.011 0.000 0.983 732 Y HN 0.087 nan 8.280 nan 0.000 0.524 733 D N -0.342 120.177 120.400 0.198 0.000 2.183 733 D HA -0.072 4.561 4.640 -0.010 0.000 0.203 733 D C 1.766 178.056 176.300 -0.016 0.000 0.969 733 D CA 1.082 55.140 54.000 0.097 0.000 0.842 733 D CB -0.081 40.777 40.800 0.097 0.000 0.957 733 D HN 0.484 nan 8.370 nan 0.000 0.484 734 R N -0.049 120.434 120.500 -0.029 0.000 2.334 734 R HA 0.282 4.616 4.340 -0.010 0.000 0.216 734 R C 0.398 176.678 176.300 -0.034 0.000 0.905 734 R CA 0.088 56.166 56.100 -0.036 0.000 1.064 734 R CB 1.122 31.395 30.300 -0.044 0.000 1.046 734 R HN 0.139 nan 8.270 nan 0.000 0.508 735 I N 2.058 122.587 120.570 -0.069 0.000 2.464 735 I HA 0.223 4.386 4.170 -0.010 0.000 0.277 735 I C -1.963 174.056 176.117 -0.163 0.000 1.040 735 I CA -2.353 58.907 61.300 -0.067 0.000 1.153 735 I CB 2.154 40.142 38.000 -0.019 0.000 1.274 735 I HN -0.302 nan 8.210 nan 0.000 0.469 736 P HA -0.197 nan 4.420 nan 0.000 0.216 736 P C 1.190 178.389 177.300 -0.167 0.000 1.153 736 P CA 1.515 64.523 63.100 -0.152 0.000 0.858 736 P CB 0.304 31.949 31.700 -0.091 0.000 0.789 737 E N -1.157 118.981 120.200 -0.103 0.000 2.110 737 E HA -0.166 4.177 4.350 -0.010 0.000 0.193 737 E C 1.867 178.353 176.600 -0.190 0.000 0.988 737 E CA 0.692 57.044 56.400 -0.080 0.000 0.804 737 E CB -0.587 29.141 29.700 0.046 0.000 0.745 737 E HN 0.123 nan 8.360 nan 0.000 0.458 738 L N 1.233 122.251 121.223 -0.343 0.000 2.072 738 L HA -0.112 4.222 4.340 -0.010 0.000 0.205 738 L C 2.332 178.894 176.870 -0.514 0.000 1.079 738 L CA 1.602 56.062 54.840 -0.634 0.000 0.752 738 L CB -0.307 41.225 42.059 -0.880 0.000 0.906 738 L HN -0.092 nan 8.230 nan 0.000 0.436 739 R N -0.754 119.418 120.500 -0.547 0.000 2.091 739 R HA -0.247 4.087 4.340 -0.010 0.000 0.238 739 R C 2.386 178.473 176.300 -0.355 0.000 1.136 739 R CA 2.005 57.673 56.100 -0.721 0.000 0.959 739 R CB -0.351 29.478 30.300 -0.786 0.000 0.856 739 R HN 0.636 nan 8.270 nan 0.000 0.437 740 Q N 0.476 120.124 119.800 -0.254 0.000 2.096 740 Q HA -0.186 4.148 4.340 -0.010 0.000 0.204 740 Q C 2.061 177.989 176.000 -0.119 0.000 0.982 740 Q CA 1.965 57.673 55.803 -0.159 0.000 0.850 740 Q CB -0.125 28.527 28.738 -0.142 0.000 0.901 740 Q HN 0.480 nan 8.270 nan 0.000 0.422 741 I N 0.634 121.128 120.570 -0.127 0.000 2.179 741 I HA -0.281 3.883 4.170 -0.010 0.000 0.242 741 I C 2.144 178.264 176.117 0.006 0.000 1.088 741 I CA 0.690 61.955 61.300 -0.058 0.000 1.357 741 I CB -0.330 37.613 38.000 -0.095 0.000 1.051 741 I HN 0.316 nan 8.210 nan 0.000 0.409 742 I N 0.845 121.416 120.570 0.000 0.000 2.286 742 I HA -0.235 3.929 4.170 -0.010 0.000 0.248 742 I C 2.440 178.647 176.117 0.150 0.000 1.115 742 I CA 1.656 63.032 61.300 0.127 0.000 1.392 742 I CB -1.233 36.933 38.000 0.276 0.000 1.065 742 I HN 0.361 nan 8.210 nan 0.000 0.418 743 E N 0.300 120.563 120.200 0.105 0.000 2.107 743 E HA -0.205 4.138 4.350 -0.010 0.000 0.191 743 E C 2.134 178.791 176.600 0.095 0.000 0.982 743 E CA 0.747 57.210 56.400 0.104 0.000 0.809 743 E CB -0.088 29.646 29.700 0.058 0.000 0.756 743 E HN 0.595 nan 8.360 nan 0.000 0.459 744 Q N 0.516 120.350 119.800 0.057 0.000 2.079 744 Q HA -0.111 4.223 4.340 -0.010 0.000 0.200 744 Q C 2.351 178.506 176.000 0.258 0.000 0.974 744 Q CA 0.938 56.779 55.803 0.064 0.000 0.840 744 Q CB -0.028 28.628 28.738 -0.135 0.000 0.898 744 Q HN 0.293 nan 8.270 nan 0.000 0.430 745 L N -0.030 121.357 121.223 0.273 0.000 2.027 745 L HA -0.173 4.161 4.340 -0.010 0.000 0.206 745 L C 2.406 179.451 176.870 0.293 0.000 1.074 745 L CA 0.996 56.026 54.840 0.318 0.000 0.745 745 L CB -0.330 41.839 42.059 0.183 0.000 0.898 745 L HN 0.136 nan 8.230 nan 0.000 0.433 746 S N -0.388 115.441 115.700 0.215 0.000 2.402 746 S HA -0.133 4.330 4.470 -0.010 0.000 0.229 746 S C 2.057 176.755 174.600 0.163 0.000 1.021 746 S CA 1.406 59.714 58.200 0.180 0.000 0.974 746 S CB -0.182 63.105 63.200 0.146 0.000 0.800 746 S HN 0.597 nan 8.310 nan 0.000 0.484 747 S N 0.442 116.241 115.700 0.164 0.000 2.527 747 S HA 0.333 4.797 4.470 -0.010 0.000 0.222 747 S C 1.432 176.119 174.600 0.145 0.000 0.985 747 S CA 0.638 58.921 58.200 0.138 0.000 0.921 747 S CB -0.065 63.210 63.200 0.125 0.000 0.772 747 S HN 0.782 nan 8.310 nan 0.000 0.529 748 G N 0.711 109.631 108.800 0.199 0.000 2.130 748 G HA2 -0.284 3.670 3.960 -0.010 0.000 0.216 748 G HA3 -0.284 3.670 3.960 -0.010 0.000 0.216 748 G C 0.174 175.165 174.900 0.152 0.000 0.999 748 G CA 0.116 45.324 45.100 0.180 0.000 0.686 748 G HN 0.536 nan 8.290 nan 0.000 0.515 749 F N 0.302 120.254 119.950 0.004 0.000 2.202 749 F HA 0.212 4.733 4.527 -0.010 0.000 0.301 749 F C 1.757 177.360 175.800 -0.328 0.000 1.082 749 F CA 1.760 59.640 58.000 -0.200 0.000 1.313 749 F CB -0.046 38.756 39.000 -0.331 0.000 1.024 749 F HN 0.161 nan 8.300 nan 0.000 0.495 750 F N -0.188 119.920 119.950 0.263 0.000 2.664 750 F HA 0.221 4.741 4.527 -0.010 0.000 0.303 750 F C 0.590 176.507 175.800 0.194 0.000 1.092 750 F CA 0.239 58.344 58.000 0.176 0.000 1.305 750 F CB -0.120 38.983 39.000 0.172 0.000 1.054 750 F HN 0.002 nan 8.300 nan 0.000 0.565 751 S N -2.204 113.644 115.700 0.246 0.000 2.708 751 S HA 0.296 4.760 4.470 -0.010 0.000 0.141 751 S C -2.464 172.157 174.600 0.036 0.000 1.349 751 S CA -0.952 57.325 58.200 0.130 0.000 1.206 751 S CB 0.739 63.988 63.200 0.081 0.000 1.603 751 S HN -0.175 nan 8.310 nan 0.000 0.415 752 P HA -0.160 nan 4.420 nan 0.000 0.215 752 P C 1.267 178.554 177.300 -0.022 0.000 1.163 752 P CA 1.551 64.625 63.100 -0.043 0.000 0.894 752 P CB 0.084 31.734 31.700 -0.084 0.000 0.791 753 K N -1.107 119.281 120.400 -0.020 0.000 2.211 753 K HA -0.066 4.248 4.320 -0.010 0.000 0.203 753 K C 0.715 177.310 176.600 -0.008 0.000 1.050 753 K CA 0.950 57.229 56.287 -0.013 0.000 0.945 753 K CB -0.097 32.397 32.500 -0.010 0.000 0.732 753 K HN 0.348 nan 8.250 nan 0.000 0.451 754 Q N -0.289 119.505 119.800 -0.010 0.000 2.965 754 Q HA 0.151 4.485 4.340 -0.010 0.000 0.288 754 Q C -2.351 173.639 176.000 -0.016 0.000 0.974 754 Q CA -1.612 54.180 55.803 -0.018 0.000 0.849 754 Q CB 1.530 30.248 28.738 -0.035 0.000 1.280 754 Q HN -0.081 nan 8.270 nan 0.000 0.441 755 P HA -0.251 nan 4.420 nan 0.000 0.218 755 P C 0.632 177.968 177.300 0.059 0.000 1.154 755 P CA 1.640 64.766 63.100 0.044 0.000 0.872 755 P CB 0.188 31.911 31.700 0.039 0.000 0.790 756 D N -1.646 118.772 120.400 0.031 0.000 2.388 756 D HA -0.001 4.633 4.640 -0.010 0.000 0.221 756 D C 1.528 177.826 176.300 -0.003 0.000 1.133 756 D CA -0.277 53.749 54.000 0.044 0.000 0.831 756 D CB -0.851 39.976 40.800 0.044 0.000 0.962 756 D HN 0.017 nan 8.370 nan 0.000 0.502 757 L N -0.117 121.039 121.223 -0.112 0.000 2.089 757 L HA -0.065 4.268 4.340 -0.010 0.000 0.213 757 L C 1.046 177.683 176.870 -0.388 0.000 1.079 757 L CA 1.691 56.342 54.840 -0.314 0.000 0.758 757 L CB -0.633 41.064 42.059 -0.603 0.000 0.891 757 L HN 0.018 nan 8.230 nan 0.000 0.433 758 F N -0.506 119.497 119.950 0.089 0.000 2.668 758 F HA 0.143 4.664 4.527 -0.010 0.000 0.297 758 F C 1.841 177.691 175.800 0.084 0.000 1.124 758 F CA -0.128 57.915 58.000 0.072 0.000 1.353 758 F CB -0.343 38.688 39.000 0.051 0.000 0.992 758 F HN 0.112 nan 8.300 nan 0.000 0.524 759 K N -0.267 120.246 120.400 0.188 0.000 2.103 759 K HA -0.187 4.126 4.320 -0.010 0.000 0.207 759 K C 0.938 177.637 176.600 0.164 0.000 1.048 759 K CA 1.986 58.368 56.287 0.158 0.000 0.930 759 K CB -0.258 32.311 32.500 0.115 0.000 0.716 759 K HN 0.123 nan 8.250 nan 0.000 0.444 760 D N 1.310 121.821 120.400 0.186 0.000 2.144 760 D HA -0.077 4.556 4.640 -0.010 0.000 0.200 760 D C 2.114 178.524 176.300 0.183 0.000 0.978 760 D CA 1.127 55.250 54.000 0.205 0.000 0.833 760 D CB -0.103 40.860 40.800 0.272 0.000 0.961 760 D HN 0.316 nan 8.370 nan 0.000 0.470 761 I N 0.697 121.377 120.570 0.183 0.000 2.142 761 I HA -0.220 3.944 4.170 -0.010 0.000 0.240 761 I C 2.505 178.665 176.117 0.072 0.000 1.078 761 I CA 0.663 62.036 61.300 0.122 0.000 1.343 761 I CB -0.276 37.795 38.000 0.118 0.000 1.046 761 I HN -0.124 nan 8.210 nan 0.000 0.405 762 V N 1.291 121.265 119.914 0.101 0.000 2.287 762 V HA -0.313 3.800 4.120 -0.010 0.000 0.248 762 V C 2.261 178.344 176.094 -0.019 0.000 1.053 762 V CA 2.438 64.777 62.300 0.066 0.000 1.027 762 V CB -0.995 30.894 31.823 0.109 0.000 0.646 762 V HN 0.488 nan 8.190 nan 0.000 0.447 763 N N -0.119 118.596 118.700 0.025 0.000 2.104 763 N HA -0.221 4.513 4.740 -0.010 0.000 0.190 763 N C 1.848 177.207 175.510 -0.252 0.000 1.024 763 N CA 1.927 54.983 53.050 0.011 0.000 0.853 763 N CB -0.293 38.285 38.487 0.151 0.000 1.008 763 N HN 0.347 nan 8.380 nan 0.000 0.424 764 M N -0.282 119.197 119.600 -0.202 0.000 2.086 764 M HA -0.095 4.379 4.480 -0.010 0.000 0.261 764 M C 1.491 177.590 176.300 -0.335 0.000 1.067 764 M CA 1.263 56.353 55.300 -0.350 0.000 1.116 764 M CB -0.653 31.984 32.600 0.062 0.000 1.348 764 M HN 0.227 nan 8.290 nan 0.000 0.407 765 L N 0.783 121.854 121.223 -0.254 0.000 2.042 765 L HA -0.215 4.119 4.340 -0.010 0.000 0.210 765 L C 2.461 178.982 176.870 -0.581 0.000 1.076 765 L CA 1.711 56.306 54.840 -0.408 0.000 0.749 765 L CB -0.979 40.896 42.059 -0.306 0.000 0.893 765 L HN 0.336 nan 8.230 nan 0.000 0.432 766 M N -1.981 117.328 119.600 -0.484 0.000 2.236 766 M HA -0.069 4.404 4.480 -0.010 0.000 0.266 766 M C 1.941 177.801 176.300 -0.733 0.000 1.070 766 M CA 1.429 56.366 55.300 -0.605 0.000 1.137 766 M CB -0.846 31.309 32.600 -0.741 0.000 1.378 766 M HN 0.335 nan 8.290 nan 0.000 0.426 767 H N -1.736 117.155 119.070 -0.299 0.000 2.927 767 H HA 0.183 4.733 4.556 -0.010 0.000 0.255 767 H C 0.111 175.355 175.328 -0.140 0.000 0.974 767 H CA 0.694 56.608 56.048 -0.223 0.000 1.199 767 H CB 0.235 29.909 29.762 -0.147 0.000 1.447 767 H HN 0.548 nan 8.280 nan 0.000 0.467 768 H N -1.169 117.955 119.070 0.090 0.000 2.712 768 H HA 0.278 4.828 4.556 -0.010 0.000 0.226 768 H C -1.193 174.157 175.328 0.037 0.000 1.422 768 H CA -0.701 55.389 56.048 0.070 0.000 1.270 768 H CB -0.081 29.724 29.762 0.072 0.000 1.891 768 H HN -0.111 nan 8.280 nan 0.000 0.518 769 D N 1.328 121.762 120.400 0.056 0.000 2.411 769 D HA 0.144 4.778 4.640 -0.010 0.000 0.225 769 D C 0.858 177.115 176.300 -0.072 0.000 1.156 769 D CA -0.469 53.543 54.000 0.020 0.000 0.874 769 D CB 0.742 41.526 40.800 -0.027 0.000 1.034 769 D HN 0.458 nan 8.370 nan 0.000 0.502 770 R N 2.318 122.680 120.500 -0.231 0.000 2.237 770 R HA -0.032 4.302 4.340 -0.010 0.000 0.219 770 R C 0.608 176.387 176.300 -0.869 0.000 1.080 770 R CA 0.843 56.592 56.100 -0.585 0.000 0.995 770 R CB 0.080 29.857 30.300 -0.872 0.000 0.875 770 R HN 0.412 nan 8.270 nan 0.000 0.462 771 F N 0.579 120.500 119.950 -0.048 0.000 2.639 771 F HA 0.254 4.775 4.527 -0.010 0.000 0.302 771 F C 0.073 175.757 175.800 -0.193 0.000 1.097 771 F CA -0.672 57.282 58.000 -0.077 0.000 1.294 771 F CB 0.098 39.114 39.000 0.027 0.000 1.027 771 F HN -0.244 nan 8.300 nan 0.000 0.550 772 K N -0.351 119.851 120.400 -0.330 0.000 3.278 772 K HA -0.188 4.126 4.320 -0.010 0.000 0.270 772 K C 1.034 177.522 176.600 -0.187 0.000 0.955 772 K CA 0.172 56.099 56.287 -0.599 0.000 0.723 772 K CB -1.804 30.244 32.500 -0.753 0.000 1.382 772 K HN 0.217 nan 8.250 nan 0.000 0.461 773 V N 0.081 119.966 119.914 -0.048 0.000 2.287 773 V HA -0.291 3.822 4.120 -0.010 0.000 0.248 773 V C 1.972 178.210 176.094 0.241 0.000 1.053 773 V CA 2.307 64.657 62.300 0.083 0.000 1.027 773 V CB -0.492 31.382 31.823 0.086 0.000 0.646 773 V HN 0.517 nan 8.190 nan 0.000 0.447 774 F N 0.196 120.152 119.950 0.009 0.000 2.171 774 F HA -0.200 4.320 4.527 -0.011 0.000 0.300 774 F C 2.544 178.137 175.800 -0.345 0.000 1.090 774 F CA 0.654 58.601 58.000 -0.090 0.000 1.293 774 F CB -0.429 38.523 39.000 -0.080 0.000 1.013 774 F HN 0.204 nan 8.300 nan 0.000 0.486 775 A N -0.400 122.257 122.820 -0.271 0.000 2.024 775 A HA -0.218 4.096 4.320 -0.010 0.000 0.220 775 A C 1.468 179.047 177.584 -0.009 0.000 1.164 775 A CA 2.037 53.847 52.037 -0.379 0.000 0.643 775 A CB -0.486 18.423 19.000 -0.153 0.000 0.806 775 A HN 0.262 nan 8.150 nan 0.000 0.451 776 D N -3.001 117.456 120.400 0.095 0.000 2.398 776 D HA 0.099 4.733 4.640 -0.010 0.000 0.210 776 D C 1.127 177.595 176.300 0.279 0.000 1.094 776 D CA -0.085 54.045 54.000 0.216 0.000 0.839 776 D CB -0.103 40.838 40.800 0.235 0.000 0.963 776 D HN 0.588 nan 8.370 nan 0.000 0.506 777 Y N 2.169 122.554 120.300 0.142 0.000 2.070 777 Y HA -0.239 4.305 4.550 -0.010 0.000 0.280 777 Y C 2.133 178.115 175.900 0.137 0.000 1.148 777 Y CA 1.938 60.130 58.100 0.153 0.000 1.125 777 Y CB 0.167 38.680 38.460 0.088 0.000 0.975 777 Y HN -0.110 nan 8.280 nan 0.000 0.492 778 E N -0.039 120.227 120.200 0.110 0.000 2.038 778 E HA -0.284 4.060 4.350 -0.010 0.000 0.195 778 E C 2.250 178.814 176.600 -0.059 0.000 1.000 778 E CA 1.668 58.059 56.400 -0.016 0.000 0.803 778 E CB -0.232 29.560 29.700 0.154 0.000 0.750 778 E HN 0.610 nan 8.360 nan 0.000 0.448 779 E N -0.414 119.830 120.200 0.074 0.000 2.110 779 E HA -0.210 4.134 4.350 -0.010 0.000 0.193 779 E C 1.924 178.514 176.600 -0.017 0.000 0.988 779 E CA 0.766 57.230 56.400 0.106 0.000 0.804 779 E CB -0.086 29.770 29.700 0.261 0.000 0.745 779 E HN 0.253 nan 8.360 nan 0.000 0.458 780 Y N 0.796 120.906 120.300 -0.317 0.000 2.145 780 Y HA -0.214 4.329 4.550 -0.011 0.000 0.286 780 Y C 2.059 177.552 175.900 -0.678 0.000 1.145 780 Y CA 1.099 58.667 58.100 -0.888 0.000 1.148 780 Y CB -0.548 37.463 38.460 -0.749 0.000 0.981 780 Y HN -0.176 nan 8.280 nan 0.000 0.507 781 V N 0.450 119.995 119.914 -0.615 0.000 2.343 781 V HA -0.290 3.823 4.120 -0.010 0.000 0.247 781 V C 2.356 178.205 176.094 -0.407 0.000 1.051 781 V CA 2.284 64.232 62.300 -0.587 0.000 1.036 781 V CB -0.652 30.852 31.823 -0.531 0.000 0.654 781 V HN 0.198 nan 8.190 nan 0.000 0.451 782 K N -0.494 119.735 120.400 -0.284 0.000 2.057 782 K HA -0.167 4.147 4.320 -0.010 0.000 0.207 782 K C 2.239 178.735 176.600 -0.174 0.000 1.049 782 K CA 1.800 57.987 56.287 -0.166 0.000 0.931 782 K CB -1.015 31.439 32.500 -0.076 0.000 0.714 782 K HN 0.534 nan 8.250 nan 0.000 0.440 783 C N 0.749 119.916 119.300 -0.222 0.000 2.429 783 C HA -0.083 4.370 4.460 -0.010 0.000 0.277 783 C C 2.447 177.234 174.990 -0.338 0.000 1.262 783 C CA 0.730 59.641 59.018 -0.179 0.000 1.733 783 C CB -0.702 26.948 27.740 -0.149 0.000 2.010 783 C HN 0.476 nan 8.230 nan 0.000 0.483 784 Q N 0.456 119.922 119.800 -0.556 0.000 2.170 784 Q HA -0.169 4.165 4.340 -0.010 0.000 0.203 784 Q C 1.996 177.783 176.000 -0.354 0.000 0.976 784 Q CA 1.628 57.063 55.803 -0.612 0.000 0.858 784 Q CB -0.386 27.743 28.738 -1.014 0.000 0.907 784 Q HN 0.766 nan 8.270 nan 0.000 0.433 785 E N 0.155 120.206 120.200 -0.249 0.000 2.106 785 E HA -0.122 4.222 4.350 -0.010 0.000 0.192 785 E C 2.050 178.592 176.600 -0.097 0.000 0.984 785 E CA 0.477 56.795 56.400 -0.137 0.000 0.806 785 E CB -0.047 29.595 29.700 -0.096 0.000 0.750 785 E HN 0.268 nan 8.360 nan 0.000 0.458 786 R N 0.563 121.006 120.500 -0.094 0.000 2.115 786 R HA -0.072 4.262 4.340 -0.010 0.000 0.230 786 R C 2.392 178.660 176.300 -0.054 0.000 1.111 786 R CA 0.773 56.877 56.100 0.007 0.000 0.976 786 R CB -0.237 30.136 30.300 0.122 0.000 0.870 786 R HN 0.057 nan 8.270 nan 0.000 0.445 787 V N 0.512 120.203 119.914 -0.372 0.000 2.307 787 V HA -0.229 3.885 4.120 -0.010 0.000 0.245 787 V C 2.160 178.235 176.094 -0.032 0.000 1.045 787 V CA 1.945 63.934 62.300 -0.519 0.000 1.024 787 V CB -0.346 31.073 31.823 -0.674 0.000 0.651 787 V HN 0.277 nan 8.190 nan 0.000 0.449 788 S N 0.234 115.886 115.700 -0.080 0.000 2.383 788 S HA -0.184 4.280 4.470 -0.010 0.000 0.229 788 S C 2.191 176.848 174.600 0.096 0.000 1.030 788 S CA 1.407 59.600 58.200 -0.011 0.000 1.002 788 S CB -0.495 62.667 63.200 -0.064 0.000 0.829 788 S HN 0.652 nan 8.310 nan 0.000 0.467 789 A N 1.200 124.074 122.820 0.090 0.000 1.902 789 A HA 0.029 4.343 4.320 -0.010 0.000 0.217 789 A C 2.088 179.785 177.584 0.188 0.000 1.181 789 A CA 1.032 53.144 52.037 0.124 0.000 0.623 789 A CB -0.624 18.436 19.000 0.101 0.000 0.818 789 A HN 0.469 nan 8.150 nan 0.000 0.443 790 L N -2.142 119.251 121.223 0.284 0.000 2.156 790 L HA -0.112 4.222 4.340 -0.010 0.000 0.208 790 L C 2.426 179.585 176.870 0.482 0.000 1.095 790 L CA 1.401 56.484 54.840 0.405 0.000 0.770 790 L CB -0.324 42.072 42.059 0.561 0.000 0.914 790 L HN 0.580 nan 8.230 nan 0.000 0.439 791 Y N 0.994 121.448 120.300 0.257 0.000 2.333 791 Y HA -0.247 4.297 4.550 -0.009 0.000 0.290 791 Y C 2.323 178.165 175.900 -0.097 0.000 1.144 791 Y CA 1.526 59.521 58.100 -0.174 0.000 1.228 791 Y CB -0.045 38.108 38.460 -0.511 0.000 0.985 791 Y HN 0.062 nan 8.280 nan 0.000 0.542 792 K N -0.187 120.252 120.400 0.065 0.000 2.442 792 K HA -0.116 4.198 4.320 -0.010 0.000 0.198 792 K C 0.434 177.017 176.600 -0.029 0.000 1.042 792 K CA 0.696 57.000 56.287 0.029 0.000 0.958 792 K CB -0.064 32.501 32.500 0.108 0.000 0.766 792 K HN 0.051 nan 8.250 nan 0.000 0.474 793 N N 0.622 119.323 118.700 0.001 0.000 2.976 793 N HA 0.129 4.863 4.740 -0.010 0.000 0.255 793 N C -2.434 173.077 175.510 0.002 0.000 1.312 793 N CA -2.138 50.918 53.050 0.011 0.000 0.897 793 N CB 1.080 39.606 38.487 0.065 0.000 1.184 793 N HN -0.192 nan 8.380 nan 0.000 0.497 794 P HA -0.244 nan 4.420 nan 0.000 0.219 794 P C 1.414 178.723 177.300 0.016 0.000 1.161 794 P CA 1.432 64.458 63.100 -0.124 0.000 0.909 794 P CB 0.302 31.907 31.700 -0.158 0.000 0.793 795 R N -0.158 120.351 120.500 0.014 0.000 2.083 795 R HA -0.177 4.156 4.340 -0.010 0.000 0.237 795 R C 1.986 178.326 176.300 0.068 0.000 1.137 795 R CA 1.571 57.692 56.100 0.035 0.000 0.951 795 R CB -0.439 29.873 30.300 0.020 0.000 0.851 795 R HN 0.112 nan 8.270 nan 0.000 0.434 796 E N -0.128 120.122 120.200 0.084 0.000 2.152 796 E HA -0.205 4.139 4.350 -0.010 0.000 0.192 796 E C 1.593 178.267 176.600 0.123 0.000 0.983 796 E CA 0.608 57.061 56.400 0.087 0.000 0.818 796 E CB -0.402 29.348 29.700 0.084 0.000 0.758 796 E HN 0.531 nan 8.360 nan 0.000 0.467 797 W N 2.185 123.482 121.300 -0.005 0.000 2.355 797 W HA -0.161 4.492 4.660 -0.012 0.000 0.309 797 W C 1.569 178.094 176.519 0.009 0.000 1.206 797 W CA 1.978 59.336 57.345 0.021 0.000 1.284 797 W CB -0.441 29.005 29.460 -0.023 0.000 1.145 797 W HN 0.009 nan 8.180 nan 0.000 0.502 798 T N 1.351 116.053 114.554 0.247 0.000 2.788 798 T HA -0.171 4.172 4.350 -0.010 0.000 0.268 798 T C 1.860 176.571 174.700 0.018 0.000 1.044 798 T CA 1.723 63.897 62.100 0.123 0.000 1.139 798 T CB -0.275 68.644 68.868 0.084 0.000 0.867 798 T HN 0.178 nan 8.240 nan 0.000 0.454 799 R N 0.438 120.952 120.500 0.024 0.000 2.092 799 R HA 0.100 4.434 4.340 -0.010 0.000 0.231 799 R C 2.501 178.788 176.300 -0.022 0.000 1.119 799 R CA 1.165 57.276 56.100 0.019 0.000 0.970 799 R CB -0.338 29.980 30.300 0.029 0.000 0.864 799 R HN 0.366 nan 8.270 nan 0.000 0.440 800 M N 0.538 120.088 119.600 -0.084 0.000 2.175 800 M HA -0.130 4.343 4.480 -0.010 0.000 0.264 800 M C 1.905 178.110 176.300 -0.158 0.000 1.063 800 M CA 1.326 56.538 55.300 -0.146 0.000 1.119 800 M CB 0.195 32.643 32.600 -0.252 0.000 1.377 800 M HN -0.020 nan 8.290 nan 0.000 0.415 801 V N 0.895 120.699 119.914 -0.184 0.000 2.295 801 V HA -0.309 3.805 4.120 -0.010 0.000 0.246 801 V C 2.214 178.288 176.094 -0.032 0.000 1.049 801 V CA 1.983 64.206 62.300 -0.128 0.000 1.024 801 V CB -0.596 31.180 31.823 -0.079 0.000 0.648 801 V HN 0.510 nan 8.190 nan 0.000 0.447 802 I N -0.598 119.972 120.570 0.001 0.000 2.264 802 I HA -0.263 3.900 4.170 -0.010 0.000 0.248 802 I C 2.695 178.861 176.117 0.082 0.000 1.111 802 I CA 1.549 62.897 61.300 0.079 0.000 1.382 802 I CB -0.432 37.662 38.000 0.156 0.000 1.060 802 I HN 0.212 nan 8.210 nan 0.000 0.418 803 R N 0.422 120.947 120.500 0.042 0.000 2.148 803 R HA -0.102 4.232 4.340 -0.010 0.000 0.227 803 R C 2.004 178.337 176.300 0.054 0.000 1.103 803 R CA 1.029 57.153 56.100 0.041 0.000 0.983 803 R CB -0.310 29.997 30.300 0.012 0.000 0.874 803 R HN 0.532 nan 8.270 nan 0.000 0.451 804 N N 0.533 119.259 118.700 0.044 0.000 2.148 804 N HA -0.054 4.680 4.740 -0.010 0.000 0.186 804 N C 1.949 177.522 175.510 0.104 0.000 1.031 804 N CA 0.981 54.082 53.050 0.085 0.000 0.848 804 N CB 0.017 38.527 38.487 0.038 0.000 1.005 804 N HN 0.105 nan 8.380 nan 0.000 0.427 805 I N 1.715 122.334 120.570 0.081 0.000 2.208 805 I HA -0.256 3.908 4.170 -0.010 0.000 0.245 805 I C 2.455 178.627 176.117 0.092 0.000 1.097 805 I CA 0.988 62.341 61.300 0.089 0.000 1.363 805 I CB -0.365 37.680 38.000 0.076 0.000 1.051 805 I HN 0.095 nan 8.210 nan 0.000 0.413 806 A N 0.356 123.230 122.820 0.089 0.000 2.019 806 A HA -0.167 4.146 4.320 -0.010 0.000 0.219 806 A C 2.062 179.685 177.584 0.065 0.000 1.164 806 A CA 2.075 54.156 52.037 0.072 0.000 0.644 806 A CB -0.854 18.193 19.000 0.077 0.000 0.805 806 A HN 0.548 nan 8.150 nan 0.000 0.449 807 T N -2.928 111.677 114.554 0.085 0.000 3.174 807 T HA 0.211 4.554 4.350 -0.010 0.000 0.269 807 T C 1.035 175.816 174.700 0.135 0.000 1.017 807 T CA 0.592 62.742 62.100 0.083 0.000 0.899 807 T CB -0.178 68.737 68.868 0.079 0.000 1.077 807 T HN 0.472 nan 8.240 nan 0.000 0.552 808 S N -0.129 115.671 115.700 0.168 0.000 2.575 808 S HA 0.278 4.741 4.470 -0.010 0.000 0.215 808 S C 2.180 176.887 174.600 0.179 0.000 0.966 808 S CA 0.208 58.580 58.200 0.287 0.000 0.911 808 S CB -0.507 62.851 63.200 0.263 0.000 0.780 808 S HN 0.513 nan 8.310 nan 0.000 0.514 809 G N 2.797 111.632 108.800 0.058 0.000 2.469 809 G HA2 -0.295 3.659 3.960 -0.010 0.000 0.220 809 G HA3 -0.295 3.659 3.960 -0.010 0.000 0.220 809 G C 1.323 176.161 174.900 -0.103 0.000 1.136 809 G CA 1.050 46.154 45.100 0.006 0.000 0.759 809 G HN 0.607 nan 8.290 nan 0.000 0.562 810 K N -0.110 120.106 120.400 -0.306 0.000 2.281 810 K HA -0.034 4.280 4.320 -0.010 0.000 0.203 810 K C 1.240 177.494 176.600 -0.577 0.000 1.046 810 K CA 0.723 56.699 56.287 -0.519 0.000 0.938 810 K CB -0.273 31.749 32.500 -0.796 0.000 0.737 810 K HN 0.418 nan 8.250 nan 0.000 0.458 811 F N 0.940 120.918 119.950 0.047 0.000 2.664 811 F HA 0.120 4.641 4.527 -0.011 0.000 0.301 811 F C 0.803 176.647 175.800 0.074 0.000 1.126 811 F CA -0.586 57.449 58.000 0.058 0.000 1.373 811 F CB 0.390 39.421 39.000 0.051 0.000 1.042 811 F HN -0.112 nan 8.300 nan 0.000 0.535 812 S N 0.289 116.067 115.700 0.130 0.000 2.545 812 S HA 0.082 4.546 4.470 -0.010 0.000 0.275 812 S C 1.421 176.103 174.600 0.137 0.000 1.299 812 S CA -0.262 58.015 58.200 0.128 0.000 1.048 812 S CB 0.876 64.120 63.200 0.074 0.000 0.938 812 S HN 0.337 nan 8.310 nan 0.000 0.496 813 S N 3.231 119.037 115.700 0.178 0.000 2.507 813 S HA -0.078 4.385 4.470 -0.010 0.000 0.235 813 S C 0.911 175.574 174.600 0.104 0.000 0.988 813 S CA 0.706 59.037 58.200 0.219 0.000 0.944 813 S CB -0.337 63.066 63.200 0.337 0.000 0.762 813 S HN 0.791 nan 8.310 nan 0.000 0.526 814 D N 1.808 122.249 120.400 0.068 0.000 2.144 814 D HA -0.062 4.572 4.640 -0.010 0.000 0.200 814 D C 2.107 178.413 176.300 0.010 0.000 0.978 814 D CA 0.701 54.717 54.000 0.027 0.000 0.833 814 D CB -0.303 40.508 40.800 0.018 0.000 0.961 814 D HN 0.296 nan 8.370 nan 0.000 0.470 815 R N 0.883 121.391 120.500 0.013 0.000 2.066 815 R HA -0.076 4.258 4.340 -0.010 0.000 0.232 815 R C 1.854 178.148 176.300 -0.011 0.000 1.131 815 R CA 1.313 57.406 56.100 -0.012 0.000 0.955 815 R CB -0.775 29.505 30.300 -0.033 0.000 0.851 815 R HN 0.095 nan 8.270 nan 0.000 0.432 816 T N 2.298 116.870 114.554 0.031 0.000 2.652 816 T HA -0.125 4.219 4.350 -0.010 0.000 0.267 816 T C 1.924 176.627 174.700 0.006 0.000 1.039 816 T CA 1.442 63.578 62.100 0.060 0.000 1.153 816 T CB -0.133 68.853 68.868 0.195 0.000 0.863 816 T HN 0.109 nan 8.240 nan 0.000 0.428 817 I N 1.628 122.129 120.570 -0.115 0.000 2.286 817 I HA -0.093 4.071 4.170 -0.010 0.000 0.248 817 I C 2.899 178.971 176.117 -0.076 0.000 1.115 817 I CA 0.937 62.131 61.300 -0.177 0.000 1.392 817 I CB -1.602 36.297 38.000 -0.168 0.000 1.065 817 I HN 0.196 nan 8.210 nan 0.000 0.418 818 A N 0.185 122.978 122.820 -0.044 0.000 1.933 818 A HA -0.229 4.085 4.320 -0.010 0.000 0.218 818 A C 2.247 179.785 177.584 -0.076 0.000 1.175 818 A CA 1.381 53.397 52.037 -0.034 0.000 0.628 818 A CB -0.518 18.468 19.000 -0.023 0.000 0.814 818 A HN 0.509 nan 8.150 nan 0.000 0.444 819 Q N -1.950 117.785 119.800 -0.107 0.000 2.123 819 Q HA -0.143 4.190 4.340 -0.010 0.000 0.199 819 Q C 1.890 177.716 176.000 -0.290 0.000 0.966 819 Q CA 1.512 57.211 55.803 -0.173 0.000 0.845 819 Q CB -0.273 28.353 28.738 -0.187 0.000 0.907 819 Q HN 0.824 nan 8.270 nan 0.000 0.439 820 Y N 0.551 120.553 120.300 -0.497 0.000 2.181 820 Y HA -0.256 4.287 4.550 -0.011 0.000 0.288 820 Y C 2.449 177.750 175.900 -0.999 0.000 1.146 820 Y CA 1.229 58.775 58.100 -0.923 0.000 1.164 820 Y CB -0.345 37.252 38.460 -1.439 0.000 0.982 820 Y HN 0.151 nan 8.280 nan 0.000 0.515 821 A N 0.326 122.903 122.820 -0.406 0.000 1.877 821 A HA -0.213 4.100 4.320 -0.010 0.000 0.216 821 A C 2.243 179.833 177.584 0.009 0.000 1.186 821 A CA 1.973 54.017 52.037 0.011 0.000 0.620 821 A CB -0.513 18.576 19.000 0.148 0.000 0.822 821 A HN 0.416 nan 8.150 nan 0.000 0.443 822 R N -0.588 119.881 120.500 -0.053 0.000 2.075 822 R HA -0.022 4.311 4.340 -0.010 0.000 0.226 822 R C 1.780 178.053 176.300 -0.045 0.000 1.114 822 R CA 1.411 57.494 56.100 -0.028 0.000 0.972 822 R CB -0.202 30.078 30.300 -0.033 0.000 0.869 822 R HN 0.660 nan 8.270 nan 0.000 0.437 823 E N -0.303 119.829 120.200 -0.113 0.000 2.447 823 E HA 0.084 4.428 4.350 -0.010 0.000 0.195 823 E C 1.423 177.970 176.600 -0.089 0.000 1.028 823 E CA 0.488 56.827 56.400 -0.103 0.000 0.876 823 E CB 0.505 30.117 29.700 -0.147 0.000 0.885 823 E HN 0.325 nan 8.360 nan 0.000 0.500 824 I N -1.223 119.259 120.570 -0.146 0.000 3.878 824 I HA 0.024 4.188 4.170 -0.010 0.000 0.273 824 I C 1.295 177.544 176.117 0.220 0.000 1.165 824 I CA -0.093 61.182 61.300 -0.042 0.000 1.360 824 I CB 0.232 38.067 38.000 -0.276 0.000 1.539 824 I HN 0.106 nan 8.210 nan 0.000 0.447 825 W N 1.658 123.053 121.300 0.158 0.000 2.658 825 W HA 0.311 4.965 4.660 -0.010 0.000 0.263 825 W C 1.498 178.057 176.519 0.066 0.000 1.274 825 W CA 0.859 58.279 57.345 0.125 0.000 1.343 825 W CB -1.091 28.428 29.460 0.099 0.000 1.106 825 W HN 0.324 nan 8.180 nan 0.000 0.615 826 G N 1.127 110.066 108.800 0.231 0.000 2.256 826 G HA2 -0.095 3.859 3.960 -0.010 0.000 0.272 826 G HA3 -0.095 3.859 3.960 -0.010 0.000 0.272 826 G C -0.331 174.642 174.900 0.122 0.000 1.076 826 G CA 0.219 45.398 45.100 0.131 0.000 0.882 826 G HN 0.428 nan 8.290 nan 0.000 0.497 827 V N -4.359 115.645 119.914 0.150 0.000 3.007 827 V HA 0.914 5.028 4.120 -0.010 0.000 0.311 827 V C -0.406 175.745 176.094 0.096 0.000 1.120 827 V CA -1.687 60.682 62.300 0.115 0.000 0.980 827 V CB 2.346 34.248 31.823 0.131 0.000 1.033 827 V HN 0.132 nan 8.190 nan 0.000 0.429 828 E N 3.758 123.998 120.200 0.066 0.000 2.156 828 E HA 0.513 4.856 4.350 -0.010 0.000 0.279 828 E C -2.503 174.131 176.600 0.056 0.000 0.965 828 E CA -1.750 54.681 56.400 0.053 0.000 0.789 828 E CB 1.904 31.627 29.700 0.039 0.000 1.098 828 E HN 0.767 nan 8.360 nan 0.000 0.397 829 P HA 0.099 nan 4.420 nan 0.000 0.272 829 P C -0.490 176.838 177.300 0.045 0.000 1.223 829 P CA -0.309 62.823 63.100 0.053 0.000 0.784 829 P CB 1.056 32.783 31.700 0.044 0.000 0.923 830 S N 0.958 116.687 115.700 0.048 0.000 2.547 830 S HA 0.361 4.824 4.470 -0.010 0.000 0.281 830 S C 0.350 174.975 174.600 0.042 0.000 1.118 830 S CA -0.762 57.466 58.200 0.046 0.000 0.947 830 S CB 1.050 64.285 63.200 0.058 0.000 1.053 830 S HN 0.292 nan 8.310 nan 0.000 0.482 831 R N 2.324 122.845 120.500 0.035 0.000 2.427 831 R HA 0.214 4.548 4.340 -0.010 0.000 0.262 831 R C -0.194 176.119 176.300 0.023 0.000 0.943 831 R CA -0.027 56.092 56.100 0.031 0.000 1.081 831 R CB 0.238 30.556 30.300 0.030 0.000 1.166 831 R HN 0.672 nan 8.270 nan 0.000 0.534 832 Q N 1.087 120.900 119.800 0.023 0.000 2.304 832 Q HA 0.141 4.475 4.340 -0.010 0.000 0.260 832 Q C -0.278 175.718 176.000 -0.007 0.000 0.965 832 Q CA 0.041 55.850 55.803 0.011 0.000 0.898 832 Q CB 1.037 29.787 28.738 0.020 0.000 1.196 832 Q HN -0.191 nan 8.270 nan 0.000 0.402 833 R N 1.560 122.047 120.500 -0.022 0.000 2.594 833 R HA 0.294 4.628 4.340 -0.010 0.000 0.272 833 R C -0.491 175.770 176.300 -0.065 0.000 1.074 833 R CA 0.051 56.125 56.100 -0.044 0.000 1.105 833 R CB 0.446 30.719 30.300 -0.046 0.000 1.008 833 R HN 0.491 nan 8.270 nan 0.000 0.472 834 L N 4.488 125.656 121.223 -0.092 0.000 2.334 834 L HA 0.480 4.814 4.340 -0.010 0.000 0.275 834 L C -1.851 174.959 176.870 -0.099 0.000 1.036 834 L CA -2.258 52.498 54.840 -0.140 0.000 0.807 834 L CB 1.821 43.760 42.059 -0.200 0.000 1.231 834 L HN 0.464 nan 8.230 nan 0.000 0.438 835 P HA 0.086 nan 4.420 nan 0.000 0.266 835 P C -0.715 176.556 177.300 -0.049 0.000 1.215 835 P CA -0.106 62.960 63.100 -0.057 0.000 0.763 835 P CB 1.106 32.780 31.700 -0.044 0.000 0.806 836 A N 0.000 122.799 122.820 -0.036 0.000 2.254 836 A HA 0.000 4.314 4.320 -0.010 0.000 0.244 836 A CA 0.000 52.025 52.037 -0.020 0.000 0.836 836 A CB 0.000 18.989 19.000 -0.018 0.000 0.831 836 A HN 0.000 nan 8.150 nan 0.000 0.486