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 3g2k_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 EASGTGNMXF MLNGALTIGT MDGANVEMAE EAGEENFFIF DATA SEQUENCE GMRVEDVDRL DQRGYNAQEY YDRIPELRQI IEQLSSGFFS PKQPDLFKDI DATA SEQUENCE VNMLMHHDRF KVFADYEEYV KCQERVSALY KNPREWTRMV IRNIATSGKF DATA SEQUENCE SSDRTIAQYA REIWGVEPSR QRLPA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 12 Q HA 0.000 nan 4.340 nan 0.000 0.214 12 Q C 0.000 175.983 176.000 -0.028 0.000 1.003 12 Q CA 0.000 55.774 55.803 -0.049 0.000 1.022 12 Q CB 0.000 28.705 28.738 -0.056 0.000 1.108 13 I N -0.630 119.929 120.570 -0.019 0.000 2.693 13 I HA 0.568 4.728 4.170 -0.015 0.000 0.303 13 I C 1.032 177.148 176.117 -0.001 0.000 1.025 13 I CA -0.192 61.104 61.300 -0.006 0.000 1.086 13 I CB 1.914 39.915 38.000 0.001 0.000 1.268 13 I HN 0.243 nan 8.210 nan 0.000 0.440 14 S N 3.536 119.241 115.700 0.009 0.000 2.359 14 S HA -0.184 4.277 4.470 -0.015 0.000 0.223 14 S C 1.775 176.384 174.600 0.015 0.000 1.039 14 S CA 2.240 60.447 58.200 0.012 0.000 1.042 14 S CB -0.715 62.499 63.200 0.022 0.000 0.915 14 S HN 0.866 nan 8.310 nan 0.000 0.439 15 V N -0.185 119.745 119.914 0.027 0.000 3.026 15 V HA 0.127 4.238 4.120 -0.015 0.000 0.265 15 V C 2.090 178.197 176.094 0.022 0.000 1.121 15 V CA 1.533 63.852 62.300 0.032 0.000 1.142 15 V CB -1.138 30.711 31.823 0.044 0.000 0.730 15 V HN 0.420 nan 8.190 nan 0.000 0.503 16 R N 1.203 121.707 120.500 0.007 0.000 2.320 16 R HA 0.440 4.771 4.340 -0.015 0.000 0.211 16 R C 1.130 177.419 176.300 -0.017 0.000 0.931 16 R CA 0.547 56.644 56.100 -0.004 0.000 1.071 16 R CB 0.017 30.311 30.300 -0.010 0.000 1.025 16 R HN 0.764 nan 8.270 nan 0.000 0.495 17 G N 0.682 109.472 108.800 -0.018 0.000 2.728 17 G HA2 -0.218 3.733 3.960 -0.015 0.000 0.294 17 G HA3 -0.218 3.733 3.960 -0.015 0.000 0.294 17 G C -0.935 173.948 174.900 -0.029 0.000 1.342 17 G CA -1.074 44.007 45.100 -0.031 0.000 0.866 17 G HN -0.016 nan 8.290 nan 0.000 0.534 18 L N 0.393 121.596 121.223 -0.033 0.000 2.350 18 L HA 0.675 5.006 4.340 -0.015 0.000 0.275 18 L C 1.170 178.023 176.870 -0.027 0.000 1.099 18 L CA 0.265 55.089 54.840 -0.027 0.000 0.808 18 L CB 0.986 43.030 42.059 -0.025 0.000 1.149 18 L HN 1.527 nan 8.230 nan 0.000 0.442 19 A N 2.552 125.359 122.820 -0.021 0.000 3.056 19 A HA 0.595 4.906 4.320 -0.015 0.000 0.328 19 A C 0.675 178.253 177.584 -0.010 0.000 1.233 19 A CA -0.360 51.667 52.037 -0.017 0.000 0.965 19 A CB -0.284 18.705 19.000 -0.018 0.000 1.123 19 A HN 0.792 nan 8.150 nan 0.000 0.502 20 G N -0.093 108.701 108.800 -0.009 0.000 2.483 20 G HA2 0.373 4.323 3.960 -0.015 0.000 0.248 20 G HA3 0.373 4.323 3.960 -0.015 0.000 0.248 20 G C 1.003 175.905 174.900 0.004 0.000 1.248 20 G CA -0.105 44.993 45.100 -0.002 0.000 0.838 20 G HN 0.452 nan 8.290 nan 0.000 0.566 21 V N 1.751 121.669 119.914 0.006 0.000 2.324 21 V HA -0.221 3.890 4.120 -0.015 0.000 0.250 21 V C 2.664 178.767 176.094 0.015 0.000 1.060 21 V CA 2.486 64.793 62.300 0.011 0.000 1.042 21 V CB -0.648 31.180 31.823 0.009 0.000 0.650 21 V HN 0.840 nan 8.190 nan 0.000 0.450 22 E N 0.315 120.524 120.200 0.016 0.000 2.051 22 E HA -0.192 4.149 4.350 -0.015 0.000 0.192 22 E C 2.102 178.721 176.600 0.032 0.000 0.991 22 E CA 1.543 57.956 56.400 0.022 0.000 0.799 22 E CB -0.200 29.512 29.700 0.020 0.000 0.748 22 E HN 0.592 nan 8.360 nan 0.000 0.449 23 N N -0.672 118.045 118.700 0.029 0.000 2.084 23 N HA -0.134 4.596 4.740 -0.015 0.000 0.190 23 N C 1.666 177.201 175.510 0.042 0.000 1.030 23 N CA 1.232 54.304 53.050 0.037 0.000 0.849 23 N CB -0.237 38.257 38.487 0.012 0.000 1.012 23 N HN 0.001 nan 8.380 nan 0.000 0.423 24 V N 0.354 120.284 119.914 0.027 0.000 2.332 24 V HA -0.237 3.874 4.120 -0.015 0.000 0.248 24 V C 2.044 178.158 176.094 0.034 0.000 1.055 24 V CA 1.939 64.254 62.300 0.026 0.000 1.038 24 V CB -0.981 30.852 31.823 0.017 0.000 0.651 24 V HN 0.402 nan 8.190 nan 0.000 0.450 25 T N -0.540 114.035 114.554 0.034 0.000 2.708 25 T HA -0.222 4.118 4.350 -0.015 0.000 0.266 25 T C 1.927 176.659 174.700 0.054 0.000 1.037 25 T CA 1.798 63.920 62.100 0.036 0.000 1.146 25 T CB -0.205 68.680 68.868 0.028 0.000 0.865 25 T HN 0.499 nan 8.240 nan 0.000 0.435 26 E N 0.980 121.219 120.200 0.065 0.000 2.072 26 E HA -0.021 4.320 4.350 -0.015 0.000 0.191 26 E C 2.051 178.725 176.600 0.123 0.000 0.985 26 E CA 0.867 57.319 56.400 0.085 0.000 0.801 26 E CB -0.521 29.234 29.700 0.091 0.000 0.750 26 E HN 0.431 nan 8.360 nan 0.000 0.452 27 L N 0.159 121.463 121.223 0.135 0.000 2.046 27 L HA -0.203 4.127 4.340 -0.015 0.000 0.208 27 L C 2.453 179.429 176.870 0.177 0.000 1.077 27 L CA 1.550 56.494 54.840 0.175 0.000 0.747 27 L CB -0.337 41.799 42.059 0.129 0.000 0.896 27 L HN 0.089 nan 8.230 nan 0.000 0.432 28 K N 0.383 120.847 120.400 0.107 0.000 2.057 28 K HA -0.209 4.102 4.320 -0.015 0.000 0.207 28 K C 2.121 178.820 176.600 0.164 0.000 1.049 28 K CA 1.727 58.069 56.287 0.090 0.000 0.931 28 K CB -0.074 32.442 32.500 0.026 0.000 0.714 28 K HN 0.389 nan 8.250 nan 0.000 0.440 29 K N 0.115 120.594 120.400 0.131 0.000 2.167 29 K HA -0.028 4.283 4.320 -0.015 0.000 0.203 29 K C 1.509 178.194 176.600 0.141 0.000 1.052 29 K CA 1.196 57.555 56.287 0.120 0.000 0.956 29 K CB -0.060 32.484 32.500 0.074 0.000 0.735 29 K HN 0.004 nan 8.250 nan 0.000 0.451 30 N N 0.472 119.268 118.700 0.160 0.000 2.331 30 N HA -0.091 4.640 4.740 -0.015 0.000 0.180 30 N C 1.558 177.226 175.510 0.262 0.000 1.019 30 N CA 0.803 53.943 53.050 0.151 0.000 0.881 30 N CB -0.206 38.374 38.487 0.155 0.000 0.972 30 N HN 0.203 nan 8.380 nan 0.000 0.435 31 F N 2.525 122.578 119.950 0.172 0.000 2.102 31 F HA -0.103 4.415 4.527 -0.015 0.000 0.298 31 F C 1.996 177.903 175.800 0.179 0.000 1.105 31 F CA 1.265 59.381 58.000 0.194 0.000 1.239 31 F CB -0.093 38.992 39.000 0.143 0.000 0.991 31 F HN -0.044 nan 8.300 nan 0.000 0.474 32 N N 0.449 119.380 118.700 0.385 0.000 2.188 32 N HA -0.169 4.561 4.740 -0.015 0.000 0.184 32 N C 1.994 177.593 175.510 0.147 0.000 1.018 32 N CA 1.062 54.261 53.050 0.249 0.000 0.858 32 N CB -0.526 38.087 38.487 0.209 0.000 0.989 32 N HN 0.366 nan 8.380 nan 0.000 0.426 33 R N 0.203 120.786 120.500 0.138 0.000 2.073 33 R HA -0.103 4.228 4.340 -0.015 0.000 0.234 33 R C 1.795 178.182 176.300 0.145 0.000 1.134 33 R CA 1.529 57.733 56.100 0.174 0.000 0.952 33 R CB -0.225 30.094 30.300 0.032 0.000 0.850 33 R HN 0.382 nan 8.270 nan 0.000 0.433 34 H N -0.418 118.696 119.070 0.074 0.000 2.389 34 H HA -0.119 4.427 4.556 -0.015 0.000 0.299 34 H C 1.886 177.153 175.328 -0.102 0.000 1.081 34 H CA 1.427 57.452 56.048 -0.039 0.000 1.345 34 H CB 0.065 29.763 29.762 -0.106 0.000 1.393 34 H HN 0.130 nan 8.280 nan 0.000 0.520 35 L N -0.068 121.143 121.223 -0.020 0.000 2.042 35 L HA -0.206 4.125 4.340 -0.015 0.000 0.210 35 L C 2.202 179.049 176.870 -0.040 0.000 1.076 35 L CA 1.914 56.711 54.840 -0.072 0.000 0.749 35 L CB -0.407 41.620 42.059 -0.054 0.000 0.893 35 L HN 0.315 nan 8.230 nan 0.000 0.432 36 H N -1.969 117.026 119.070 -0.125 0.000 2.306 36 H HA -0.042 4.505 4.556 -0.015 0.000 0.307 36 H C 1.793 176.925 175.328 -0.326 0.000 1.061 36 H CA 2.126 58.007 56.048 -0.279 0.000 1.359 36 H CB -0.207 29.294 29.762 -0.434 0.000 1.407 36 H HN 0.286 nan 8.280 nan 0.000 0.517 37 F N -0.479 119.472 119.950 0.002 0.000 2.270 37 F HA -0.001 4.517 4.527 -0.016 0.000 0.295 37 F C 2.517 178.250 175.800 -0.112 0.000 1.087 37 F CA 1.352 59.312 58.000 -0.067 0.000 1.365 37 F CB -0.258 38.729 39.000 -0.022 0.000 1.056 37 F HN 0.174 nan 8.300 nan 0.000 0.506 38 T N -0.215 114.374 114.554 0.059 0.000 2.983 38 T HA 0.103 4.444 4.350 -0.015 0.000 0.250 38 T C 1.929 176.537 174.700 -0.154 0.000 1.037 38 T CA 0.756 62.816 62.100 -0.067 0.000 1.142 38 T CB -0.193 68.604 68.868 -0.117 0.000 0.876 38 T HN 0.103 nan 8.240 nan 0.000 0.455 39 L N 1.176 122.309 121.223 -0.151 0.000 2.529 39 L HA 0.212 4.543 4.340 -0.015 0.000 0.223 39 L C 0.367 177.139 176.870 -0.162 0.000 1.113 39 L CA -0.087 54.653 54.840 -0.168 0.000 0.861 39 L CB -0.058 41.909 42.059 -0.153 0.000 1.012 39 L HN -0.024 nan 8.230 nan 0.000 0.461 40 V N 0.661 120.462 119.914 -0.188 0.000 5.949 40 V HA -0.277 3.833 4.120 -0.015 0.000 0.287 40 V C -0.057 175.917 176.094 -0.200 0.000 0.603 40 V CA 1.130 63.289 62.300 -0.235 0.000 0.608 40 V CB -2.232 29.481 31.823 -0.183 0.000 0.259 40 V HN 0.436 nan 8.190 nan 0.000 0.742 41 K N 1.121 121.407 120.400 -0.189 0.000 2.480 41 K HA 0.713 5.023 4.320 -0.015 0.000 0.258 41 K C -0.596 175.958 176.600 -0.077 0.000 0.990 41 K CA -0.573 55.638 56.287 -0.126 0.000 0.857 41 K CB 2.857 35.286 32.500 -0.119 0.000 1.384 41 K HN 0.508 nan 8.250 nan 0.000 0.446 42 D N -0.268 120.114 120.400 -0.031 0.000 2.423 42 D HA 0.286 4.917 4.640 -0.015 0.000 0.235 42 D C 0.607 176.938 176.300 0.052 0.000 1.011 42 D CA -0.632 53.389 54.000 0.034 0.000 0.963 42 D CB 1.095 41.921 40.800 0.042 0.000 1.349 42 D HN 0.150 nan 8.370 nan 0.000 0.508 43 R N 0.246 120.812 120.500 0.110 0.000 2.261 43 R HA -0.071 4.259 4.340 -0.015 0.000 0.236 43 R C 0.865 177.242 176.300 0.127 0.000 1.141 43 R CA 0.670 56.875 56.100 0.177 0.000 1.001 43 R CB -0.617 29.794 30.300 0.186 0.000 0.866 43 R HN 0.522 nan 8.270 nan 0.000 0.468 44 N N 0.153 118.895 118.700 0.070 0.000 2.416 44 N HA -0.074 4.656 4.740 -0.015 0.000 0.177 44 N C 1.624 177.152 175.510 0.030 0.000 1.036 44 N CA 1.187 54.267 53.050 0.049 0.000 0.901 44 N CB 0.284 38.790 38.487 0.032 0.000 0.976 44 N HN 0.245 nan 8.380 nan 0.000 0.444 45 V N -3.167 116.751 119.914 0.006 0.000 3.556 45 V HA 0.531 4.642 4.120 -0.015 0.000 0.287 45 V C 0.790 176.849 176.094 -0.058 0.000 1.422 45 V CA -0.525 61.763 62.300 -0.019 0.000 1.038 45 V CB -0.321 31.485 31.823 -0.028 0.000 0.850 45 V HN 0.043 nan 8.190 nan 0.000 0.437 46 A N 2.347 125.107 122.820 -0.099 0.000 2.477 46 A HA 0.573 4.883 4.320 -0.015 0.000 0.246 46 A C 0.764 178.169 177.584 -0.298 0.000 1.078 46 A CA 0.783 52.648 52.037 -0.287 0.000 0.770 46 A CB -0.160 18.523 19.000 -0.528 0.000 1.011 46 A HN 0.811 nan 8.150 nan 0.000 0.494 47 T N 0.424 114.809 114.554 -0.280 0.000 2.936 47 T HA 0.545 4.885 4.350 -0.015 0.000 0.282 47 T C -2.059 172.561 174.700 -0.133 0.000 1.003 47 T CA -1.719 60.303 62.100 -0.129 0.000 1.005 47 T CB 1.036 69.875 68.868 -0.048 0.000 1.097 47 T HN 0.267 nan 8.240 nan 0.000 0.532 48 P HA -0.118 nan 4.420 nan 0.000 0.216 48 P C 1.630 179.043 177.300 0.187 0.000 1.150 48 P CA 1.026 64.263 63.100 0.229 0.000 0.843 48 P CB 0.040 31.837 31.700 0.161 0.000 0.787 49 R N 0.004 120.562 120.500 0.097 0.000 2.081 49 R HA -0.149 4.182 4.340 -0.015 0.000 0.235 49 R C 1.701 178.172 176.300 0.286 0.000 1.131 49 R CA 1.864 58.060 56.100 0.160 0.000 0.960 49 R CB -0.702 29.625 30.300 0.044 0.000 0.856 49 R HN 0.107 nan 8.270 nan 0.000 0.436 50 D N -0.413 120.036 120.400 0.082 0.000 2.117 50 D HA -0.190 4.441 4.640 -0.015 0.000 0.197 50 D C 1.729 178.048 176.300 0.032 0.000 0.987 50 D CA 1.309 55.310 54.000 0.001 0.000 0.829 50 D CB -0.293 40.367 40.800 -0.233 0.000 0.961 50 D HN 0.313 nan 8.370 nan 0.000 0.460 51 Y N 0.153 120.558 120.300 0.176 0.000 2.200 51 Y HA -0.200 4.341 4.550 -0.015 0.000 0.290 51 Y C 2.332 178.371 175.900 0.232 0.000 1.137 51 Y CA 0.271 58.515 58.100 0.240 0.000 1.163 51 Y CB -1.185 37.475 38.460 0.334 0.000 0.988 51 Y HN 0.066 nan 8.280 nan 0.000 0.518 52 Y N -0.300 120.148 120.300 0.246 0.000 2.081 52 Y HA -0.329 4.212 4.550 -0.016 0.000 0.280 52 Y C 2.034 177.917 175.900 -0.028 0.000 1.163 52 Y CA 1.486 59.626 58.100 0.068 0.000 1.135 52 Y CB -1.201 37.200 38.460 -0.097 0.000 0.970 52 Y HN 0.056 nan 8.280 nan 0.000 0.498 53 F N 0.136 119.879 119.950 -0.345 0.000 2.171 53 F HA -0.154 4.364 4.527 -0.015 0.000 0.300 53 F C 2.638 178.288 175.800 -0.251 0.000 1.090 53 F CA 1.295 59.038 58.000 -0.428 0.000 1.293 53 F CB -0.822 38.102 39.000 -0.127 0.000 1.013 53 F HN 0.217 nan 8.300 nan 0.000 0.486 54 A N -0.177 122.593 122.820 -0.083 0.000 1.902 54 A HA -0.176 4.135 4.320 -0.015 0.000 0.217 54 A C 2.059 179.517 177.584 -0.209 0.000 1.181 54 A CA 1.525 53.379 52.037 -0.304 0.000 0.623 54 A CB -0.998 17.484 19.000 -0.863 0.000 0.818 54 A HN 0.336 nan 8.150 nan 0.000 0.443 55 L N -0.156 121.064 121.223 -0.005 0.000 2.017 55 L HA -0.048 4.283 4.340 -0.015 0.000 0.208 55 L C 2.704 179.567 176.870 -0.011 0.000 1.073 55 L CA 2.243 57.209 54.840 0.209 0.000 0.745 55 L CB -1.023 41.226 42.059 0.317 0.000 0.894 55 L HN 0.350 nan 8.230 nan 0.000 0.432 56 A N -1.214 121.424 122.820 -0.304 0.000 1.883 56 A HA -0.303 4.008 4.320 -0.015 0.000 0.217 56 A C 2.156 179.392 177.584 -0.580 0.000 1.186 56 A CA 2.126 53.856 52.037 -0.511 0.000 0.624 56 A CB -1.162 17.206 19.000 -1.053 0.000 0.822 56 A HN 0.693 nan 8.150 nan 0.000 0.444 57 H N -0.855 117.905 119.070 -0.518 0.000 2.387 57 H HA -0.061 4.486 4.556 -0.015 0.000 0.299 57 H C 2.347 177.403 175.328 -0.453 0.000 1.090 57 H CA 1.962 57.629 56.048 -0.636 0.000 1.332 57 H CB -0.212 28.927 29.762 -1.039 0.000 1.386 57 H HN 0.468 nan 8.280 nan 0.000 0.516 58 T N -0.302 114.203 114.554 -0.081 0.000 2.746 58 T HA -0.131 4.210 4.350 -0.015 0.000 0.267 58 T C 2.246 177.106 174.700 0.265 0.000 1.039 58 T CA 1.355 63.583 62.100 0.214 0.000 1.142 58 T CB -0.355 68.708 68.868 0.326 0.000 0.866 58 T HN 0.101 nan 8.240 nan 0.000 0.444 59 V N 1.543 121.588 119.914 0.218 0.000 2.379 59 V HA -0.104 4.007 4.120 -0.015 0.000 0.245 59 V C 2.611 178.882 176.094 0.296 0.000 1.044 59 V CA 1.503 63.979 62.300 0.293 0.000 1.036 59 V CB -0.636 31.352 31.823 0.275 0.000 0.664 59 V HN 0.371 nan 8.190 nan 0.000 0.453 60 R N 0.335 120.947 120.500 0.186 0.000 2.103 60 R HA -0.234 4.096 4.340 -0.015 0.000 0.242 60 R C 1.960 178.352 176.300 0.153 0.000 1.142 60 R CA 2.198 58.399 56.100 0.168 0.000 0.960 60 R CB -0.472 29.760 30.300 -0.113 0.000 0.858 60 R HN 0.475 nan 8.270 nan 0.000 0.439 61 D N -0.107 120.365 120.400 0.120 0.000 2.158 61 D HA -0.179 4.452 4.640 -0.015 0.000 0.197 61 D C 1.763 178.070 176.300 0.012 0.000 0.995 61 D CA 1.167 55.209 54.000 0.069 0.000 0.846 61 D CB -0.439 40.388 40.800 0.045 0.000 0.941 61 D HN 0.470 nan 8.370 nan 0.000 0.456 62 H N -0.250 118.883 119.070 0.105 0.000 2.491 62 H HA 0.027 4.574 4.556 -0.015 0.000 0.290 62 H C 2.227 177.595 175.328 0.068 0.000 1.050 62 H CA 0.411 56.505 56.048 0.077 0.000 1.309 62 H CB 0.230 30.029 29.762 0.062 0.000 1.392 62 H HN 0.211 nan 8.280 nan 0.000 0.554 63 L N 0.538 121.871 121.223 0.182 0.000 2.179 63 L HA -0.104 4.227 4.340 -0.015 0.000 0.208 63 L C 2.764 179.745 176.870 0.184 0.000 1.096 63 L CA 0.451 55.365 54.840 0.124 0.000 0.779 63 L CB -0.164 41.933 42.059 0.063 0.000 0.922 63 L HN 0.114 nan 8.230 nan 0.000 0.443 64 V N -2.457 117.584 119.914 0.212 0.000 2.343 64 V HA -0.112 3.999 4.120 -0.015 0.000 0.247 64 V C 2.327 178.536 176.094 0.192 0.000 1.051 64 V CA 1.952 64.413 62.300 0.269 0.000 1.036 64 V CB -1.739 30.202 31.823 0.197 0.000 0.654 64 V HN 0.360 nan 8.190 nan 0.000 0.451 65 G N 0.291 109.160 108.800 0.115 0.000 2.446 65 G HA2 -0.238 3.713 3.960 -0.015 0.000 0.217 65 G HA3 -0.238 3.713 3.960 -0.015 0.000 0.217 65 G C 1.761 176.708 174.900 0.079 0.000 1.168 65 G CA 0.995 46.138 45.100 0.072 0.000 0.771 65 G HN 0.540 nan 8.290 nan 0.000 0.551 66 R N -1.422 119.134 120.500 0.093 0.000 2.096 66 R HA -0.084 4.247 4.340 -0.015 0.000 0.235 66 R C 2.266 178.648 176.300 0.136 0.000 1.127 66 R CA 1.209 57.353 56.100 0.072 0.000 0.968 66 R CB -0.354 29.973 30.300 0.044 0.000 0.861 66 R HN 0.482 nan 8.270 nan 0.000 0.440 67 W N 1.449 122.731 121.300 -0.031 0.000 2.355 67 W HA -0.056 4.595 4.660 -0.015 0.000 0.309 67 W C 1.706 178.199 176.519 -0.042 0.000 1.206 67 W CA 0.908 58.233 57.345 -0.035 0.000 1.284 67 W CB -0.554 28.903 29.460 -0.005 0.000 1.145 67 W HN -0.039 nan 8.180 nan 0.000 0.502 68 I N 1.003 121.628 120.570 0.092 0.000 2.315 68 I HA -0.317 3.843 4.170 -0.015 0.000 0.248 68 I C 2.740 178.843 176.117 -0.024 0.000 1.117 68 I CA 1.920 63.194 61.300 -0.044 0.000 1.404 68 I CB -0.631 37.345 38.000 -0.039 0.000 1.071 68 I HN -0.037 nan 8.210 nan 0.000 0.419 69 R N 0.449 120.950 120.500 0.002 0.000 2.119 69 R HA -0.056 4.275 4.340 -0.015 0.000 0.222 69 R C 1.896 178.162 176.300 -0.057 0.000 1.088 69 R CA 1.572 57.661 56.100 -0.018 0.000 0.984 69 R CB -1.122 29.167 30.300 -0.019 0.000 0.884 69 R HN 0.159 nan 8.270 nan 0.000 0.447 70 T N 1.736 116.236 114.554 -0.089 0.000 2.674 70 T HA -0.104 4.237 4.350 -0.015 0.000 0.265 70 T C 1.828 176.275 174.700 -0.422 0.000 1.039 70 T CA 1.413 63.352 62.100 -0.270 0.000 1.150 70 T CB -0.127 68.619 68.868 -0.203 0.000 0.864 70 T HN 0.258 nan 8.240 nan 0.000 0.427 71 Q N 0.746 120.445 119.800 -0.169 0.000 2.167 71 Q HA -0.067 4.264 4.340 -0.015 0.000 0.202 71 Q C 2.330 178.347 176.000 0.027 0.000 0.970 71 Q CA 1.189 56.967 55.803 -0.041 0.000 0.855 71 Q CB -0.447 28.287 28.738 -0.007 0.000 0.911 71 Q HN 0.501 nan 8.270 nan 0.000 0.438 72 Q N 0.126 119.930 119.800 0.006 0.000 2.050 72 Q HA -0.191 4.139 4.340 -0.015 0.000 0.202 72 Q C 1.946 178.028 176.000 0.137 0.000 0.980 72 Q CA 1.867 57.715 55.803 0.076 0.000 0.840 72 Q CB -0.341 28.425 28.738 0.046 0.000 0.898 72 Q HN 0.532 nan 8.270 nan 0.000 0.424 73 H N -1.037 118.003 119.070 -0.051 0.000 2.319 73 H HA -0.186 4.361 4.556 -0.015 0.000 0.299 73 H C 1.227 176.605 175.328 0.083 0.000 1.092 73 H CA 2.255 58.278 56.048 -0.041 0.000 1.302 73 H CB -0.317 29.352 29.762 -0.156 0.000 1.373 73 H HN 0.367 nan 8.280 nan 0.000 0.497 74 Y N -1.065 119.258 120.300 0.038 0.000 2.274 74 Y HA -0.192 4.348 4.550 -0.016 0.000 0.290 74 Y C 2.433 178.353 175.900 0.034 0.000 1.145 74 Y CA 1.102 59.197 58.100 -0.008 0.000 1.203 74 Y CB -1.315 37.201 38.460 0.093 0.000 0.984 74 Y HN 0.365 nan 8.280 nan 0.000 0.533 75 Y N 1.260 121.634 120.300 0.123 0.000 2.200 75 Y HA -0.158 4.382 4.550 -0.016 0.000 0.290 75 Y C 2.048 177.956 175.900 0.012 0.000 1.137 75 Y CA 1.627 59.764 58.100 0.062 0.000 1.163 75 Y CB -0.021 38.469 38.460 0.049 0.000 0.988 75 Y HN 0.022 nan 8.280 nan 0.000 0.518 76 E N 0.367 120.545 120.200 -0.036 0.000 2.046 76 E HA -0.130 4.211 4.350 -0.015 0.000 0.190 76 E C 1.949 178.455 176.600 -0.157 0.000 0.982 76 E CA 1.155 57.478 56.400 -0.128 0.000 0.800 76 E CB -0.272 29.419 29.700 -0.014 0.000 0.756 76 E HN 0.480 nan 8.360 nan 0.000 0.449 77 K N 0.727 121.024 120.400 -0.172 0.000 2.365 77 K HA -0.068 4.243 4.320 -0.015 0.000 0.197 77 K C -0.080 176.453 176.600 -0.113 0.000 1.042 77 K CA 0.410 56.599 56.287 -0.165 0.000 0.987 77 K CB 0.017 32.348 32.500 -0.281 0.000 0.779 77 K HN -0.011 nan 8.250 nan 0.000 0.484 78 D N 1.225 121.566 120.400 -0.098 0.000 2.740 78 D HA -0.107 4.524 4.640 -0.015 0.000 0.231 78 D C -2.406 173.863 176.300 -0.052 0.000 1.194 78 D CA 0.081 54.037 54.000 -0.073 0.000 0.673 78 D CB -0.059 40.672 40.800 -0.115 0.000 0.995 78 D HN 0.174 nan 8.370 nan 0.000 0.411 79 P HA 0.108 nan 4.420 nan 0.000 0.276 79 P C -0.166 177.092 177.300 -0.070 0.000 1.261 79 P CA -0.619 62.445 63.100 -0.060 0.000 0.800 79 P CB 0.629 32.283 31.700 -0.078 0.000 1.066 80 K N 1.183 121.545 120.400 -0.064 0.000 2.451 80 K HA 0.039 4.350 4.320 -0.015 0.000 0.280 80 K C -0.088 176.424 176.600 -0.147 0.000 1.020 80 K CA 0.043 56.284 56.287 -0.077 0.000 1.008 80 K CB 0.189 32.660 32.500 -0.049 0.000 0.917 80 K HN 0.257 nan 8.250 nan 0.000 0.478 81 R N 3.544 123.940 120.500 -0.174 0.000 2.368 81 R HA 0.350 4.681 4.340 -0.015 0.000 0.302 81 R C -0.536 175.483 176.300 -0.469 0.000 1.002 81 R CA -0.487 55.424 56.100 -0.316 0.000 0.929 81 R CB 0.859 30.965 30.300 -0.323 0.000 1.073 81 R HN 0.489 nan 8.270 nan 0.000 0.464 82 I N 4.333 124.572 120.570 -0.552 0.000 2.339 82 I HA 0.214 4.375 4.170 -0.015 0.000 0.290 82 I C -0.679 175.128 176.117 -0.518 0.000 0.994 82 I CA -0.819 60.116 61.300 -0.609 0.000 1.191 82 I CB 0.826 38.340 38.000 -0.809 0.000 1.343 82 I HN 0.532 nan 8.210 nan 0.000 0.458 83 Y N 5.972 126.235 120.300 -0.063 0.000 2.356 83 Y HA 0.289 4.830 4.550 -0.015 0.000 0.334 83 Y C -0.267 175.733 175.900 0.167 0.000 0.958 83 Y CA -0.719 57.463 58.100 0.136 0.000 1.196 83 Y CB 1.036 39.539 38.460 0.071 0.000 1.137 83 Y HN 0.401 nan 8.280 nan 0.000 0.485 84 Y N 4.530 125.003 120.300 0.289 0.000 2.454 84 Y HA 0.476 5.017 4.550 -0.015 0.000 0.345 84 Y C -1.235 174.924 175.900 0.431 0.000 0.970 84 Y CA -0.939 57.340 58.100 0.299 0.000 1.204 84 Y CB 0.286 38.922 38.460 0.293 0.000 1.122 84 Y HN 0.512 nan 8.280 nan 0.000 0.514 85 L N 5.004 126.277 121.223 0.083 0.000 2.264 85 L HA 0.494 4.824 4.340 -0.015 0.000 0.289 85 L C -0.215 176.668 176.870 0.021 0.000 1.044 85 L CA 0.117 55.061 54.840 0.174 0.000 0.807 85 L CB 1.370 43.498 42.059 0.115 0.000 1.192 85 L HN 0.572 nan 8.230 nan 0.000 0.425 86 S N 2.363 118.158 115.700 0.158 0.000 2.536 86 S HA 0.501 4.961 4.470 -0.015 0.000 0.271 86 S C 0.277 174.961 174.600 0.141 0.000 1.134 86 S CA -0.512 57.677 58.200 -0.019 0.000 0.897 86 S CB 1.043 63.984 63.200 -0.431 0.000 1.094 86 S HN 0.474 nan 8.310 nan 0.000 0.473 87 L N 2.740 124.080 121.223 0.196 0.000 2.599 87 L HA 0.421 4.751 4.340 -0.015 0.000 0.230 87 L C 0.349 177.413 176.870 0.323 0.000 1.141 87 L CA 1.004 56.031 54.840 0.311 0.000 0.877 87 L CB -0.065 42.200 42.059 0.342 0.000 1.009 87 L HN 0.637 nan 8.230 nan 0.000 0.447 88 E N -1.248 119.010 120.200 0.098 0.000 2.275 88 E HA 0.404 4.745 4.350 -0.015 0.000 0.270 88 E C -1.385 175.096 176.600 -0.199 0.000 0.882 88 E CA -0.442 56.001 56.400 0.072 0.000 0.758 88 E CB 1.867 31.592 29.700 0.042 0.000 1.195 88 E HN -0.163 nan 8.360 nan 0.000 0.419 89 F N 2.216 122.272 119.950 0.175 0.000 2.716 89 F HA 0.175 4.692 4.527 -0.016 0.000 0.354 89 F C -0.857 175.028 175.800 0.140 0.000 1.168 89 F CA -0.784 57.308 58.000 0.153 0.000 1.045 89 F CB 0.989 40.071 39.000 0.136 0.000 1.311 89 F HN 0.484 nan 8.300 nan 0.000 0.477 90 Y N 5.318 125.693 120.300 0.125 0.000 2.714 90 Y HA 0.231 4.772 4.550 -0.015 0.000 0.333 90 Y C 0.870 176.787 175.900 0.028 0.000 1.220 90 Y CA -1.034 57.089 58.100 0.039 0.000 1.513 90 Y CB 0.361 38.825 38.460 0.007 0.000 1.435 90 Y HN 0.552 nan 8.280 nan 0.000 0.489 91 M N 1.601 121.353 119.600 0.252 0.000 2.388 91 M HA 0.126 4.596 4.480 -0.015 0.000 0.265 91 M C 1.564 177.844 176.300 -0.034 0.000 1.088 91 M CA 1.033 56.375 55.300 0.071 0.000 1.134 91 M CB -1.158 31.457 32.600 0.025 0.000 1.384 91 M HN 0.702 nan 8.290 nan 0.000 0.447 92 G N 1.364 110.162 108.800 -0.004 0.000 2.569 92 G HA2 -0.281 3.670 3.960 -0.015 0.000 0.259 92 G HA3 -0.281 3.670 3.960 -0.015 0.000 0.259 92 G C -0.218 174.638 174.900 -0.074 0.000 1.263 92 G CA -0.260 44.792 45.100 -0.079 0.000 0.928 92 G HN 0.445 nan 8.290 nan 0.000 0.572 93 R N -0.718 119.716 120.500 -0.110 0.000 2.531 93 R HA 0.564 4.894 4.340 -0.015 0.000 0.273 93 R C 1.052 177.233 176.300 -0.198 0.000 1.070 93 R CA 0.329 56.371 56.100 -0.096 0.000 1.112 93 R CB 0.691 30.942 30.300 -0.082 0.000 1.049 93 R HN 0.520 nan 8.270 nan 0.000 0.508 94 T N 1.053 115.442 114.554 -0.275 0.000 2.969 94 T HA -0.003 4.337 4.350 -0.015 0.000 0.250 94 T C 1.396 175.723 174.700 -0.622 0.000 1.021 94 T CA -0.158 61.573 62.100 -0.616 0.000 1.003 94 T CB 0.148 68.283 68.868 -1.222 0.000 1.040 94 T HN 0.306 nan 8.240 nan 0.000 0.492 95 L N 1.961 123.045 121.223 -0.232 0.000 1.976 95 L HA -0.011 4.320 4.340 -0.015 0.000 0.209 95 L C 2.447 179.283 176.870 -0.058 0.000 1.071 95 L CA 2.013 56.867 54.840 0.023 0.000 0.746 95 L CB -0.713 41.556 42.059 0.350 0.000 0.890 95 L HN 0.171 nan 8.230 nan 0.000 0.432 96 Q N -0.751 119.013 119.800 -0.059 0.000 2.084 96 Q HA -0.252 4.079 4.340 -0.015 0.000 0.202 96 Q C 2.228 178.155 176.000 -0.122 0.000 0.978 96 Q CA 1.820 57.580 55.803 -0.071 0.000 0.844 96 Q CB -0.295 28.399 28.738 -0.073 0.000 0.898 96 Q HN 0.699 nan 8.270 nan 0.000 0.426 97 N N -0.975 117.613 118.700 -0.187 0.000 2.104 97 N HA -0.152 4.578 4.740 -0.015 0.000 0.190 97 N C 1.354 176.753 175.510 -0.185 0.000 1.024 97 N CA 1.818 54.747 53.050 -0.202 0.000 0.853 97 N CB 0.070 38.402 38.487 -0.258 0.000 1.008 97 N HN 0.217 nan 8.380 nan 0.000 0.424 98 T N 1.309 115.719 114.554 -0.240 0.000 2.777 98 T HA -0.050 4.291 4.350 -0.015 0.000 0.266 98 T C 2.081 176.716 174.700 -0.108 0.000 1.040 98 T CA 1.023 63.000 62.100 -0.206 0.000 1.141 98 T CB -0.069 68.627 68.868 -0.286 0.000 0.868 98 T HN 0.260 nan 8.240 nan 0.000 0.444 99 M N 0.665 120.219 119.600 -0.076 0.000 2.080 99 M HA -0.103 4.368 4.480 -0.015 0.000 0.260 99 M C 2.502 178.766 176.300 -0.059 0.000 1.068 99 M CA 1.354 56.623 55.300 -0.051 0.000 1.109 99 M CB -0.759 31.827 32.600 -0.023 0.000 1.342 99 M HN 0.099 nan 8.290 nan 0.000 0.405 100 V N 1.016 120.900 119.914 -0.050 0.000 2.287 100 V HA -0.284 3.826 4.120 -0.015 0.000 0.248 100 V C 1.832 177.929 176.094 0.004 0.000 1.053 100 V CA 2.014 64.308 62.300 -0.009 0.000 1.027 100 V CB -0.914 30.907 31.823 -0.003 0.000 0.646 100 V HN 0.476 nan 8.190 nan 0.000 0.447 101 N N -0.406 118.284 118.700 -0.018 0.000 2.459 101 N HA -0.043 4.688 4.740 -0.015 0.000 0.181 101 N C 1.097 176.509 175.510 -0.163 0.000 1.046 101 N CA 0.734 53.756 53.050 -0.046 0.000 0.904 101 N CB -0.109 38.359 38.487 -0.031 0.000 0.964 101 N HN 0.289 nan 8.380 nan 0.000 0.444 102 L N -0.228 120.916 121.223 -0.132 0.000 2.640 102 L HA 0.400 4.731 4.340 -0.015 0.000 0.230 102 L C 0.549 177.329 176.870 -0.149 0.000 1.123 102 L CA -0.232 54.526 54.840 -0.135 0.000 0.900 102 L CB -0.743 41.257 42.059 -0.099 0.000 1.146 102 L HN 0.099 nan 8.230 nan 0.000 0.484 103 A N -0.560 122.170 122.820 -0.150 0.000 2.846 103 A HA -0.213 4.098 4.320 -0.015 0.000 0.287 103 A C 0.996 178.518 177.584 -0.104 0.000 1.469 103 A CA 0.932 52.893 52.037 -0.126 0.000 0.757 103 A CB -1.953 16.960 19.000 -0.144 0.000 1.033 103 A HN 0.215 nan 8.150 nan 0.000 0.516 104 L N -0.909 120.255 121.223 -0.099 0.000 2.731 104 L HA 0.262 4.593 4.340 -0.015 0.000 0.240 104 L C 1.831 178.665 176.870 -0.060 0.000 1.120 104 L CA 1.465 56.244 54.840 -0.103 0.000 0.913 104 L CB -0.174 41.799 42.059 -0.143 0.000 1.213 104 L HN 0.621 nan 8.230 nan 0.000 0.515 105 E N -0.103 120.071 120.200 -0.044 0.000 2.058 105 E HA -0.226 4.115 4.350 -0.015 0.000 0.194 105 E C 1.563 178.150 176.600 -0.022 0.000 0.997 105 E CA 1.358 57.743 56.400 -0.025 0.000 0.801 105 E CB 0.265 29.952 29.700 -0.022 0.000 0.746 105 E HN 0.400 nan 8.360 nan 0.000 0.450 106 N N 0.042 118.726 118.700 -0.027 0.000 2.188 106 N HA -0.103 4.628 4.740 -0.015 0.000 0.184 106 N C 1.551 177.047 175.510 -0.024 0.000 1.018 106 N CA 1.163 54.197 53.050 -0.027 0.000 0.858 106 N CB -0.329 38.140 38.487 -0.029 0.000 0.989 106 N HN 0.213 nan 8.380 nan 0.000 0.426 107 A N 0.470 123.274 122.820 -0.027 0.000 1.877 107 A HA -0.147 4.164 4.320 -0.015 0.000 0.216 107 A C 2.661 180.240 177.584 -0.009 0.000 1.186 107 A CA 1.355 53.380 52.037 -0.021 0.000 0.620 107 A CB -1.028 17.951 19.000 -0.034 0.000 0.822 107 A HN 0.432 nan 8.150 nan 0.000 0.443 108 C N -0.861 118.435 119.300 -0.008 0.000 2.440 108 C HA -0.072 4.379 4.460 -0.015 0.000 0.278 108 C C 2.473 177.466 174.990 0.006 0.000 1.295 108 C CA 1.145 60.170 59.018 0.011 0.000 1.738 108 C CB -1.183 26.576 27.740 0.031 0.000 1.987 108 C HN 0.729 nan 8.230 nan 0.000 0.492 109 D N 0.714 121.116 120.400 0.003 0.000 2.104 109 D HA -0.162 4.469 4.640 -0.015 0.000 0.194 109 D C 2.102 178.413 176.300 0.019 0.000 0.994 109 D CA 1.668 55.671 54.000 0.005 0.000 0.830 109 D CB -0.233 40.559 40.800 -0.014 0.000 0.959 109 D HN 0.459 nan 8.370 nan 0.000 0.452 110 E N 0.087 120.292 120.200 0.009 0.000 2.031 110 E HA -0.067 4.274 4.350 -0.015 0.000 0.193 110 E C 1.923 178.557 176.600 0.056 0.000 0.994 110 E CA 1.648 58.071 56.400 0.039 0.000 0.800 110 E CB -0.693 29.015 29.700 0.013 0.000 0.752 110 E HN 0.236 nan 8.360 nan 0.000 0.447 111 A N -0.111 122.712 122.820 0.005 0.000 1.892 111 A HA -0.249 4.062 4.320 -0.015 0.000 0.218 111 A C 2.500 180.011 177.584 -0.122 0.000 1.188 111 A CA 3.077 55.090 52.037 -0.041 0.000 0.631 111 A CB -1.530 17.450 19.000 -0.033 0.000 0.822 111 A HN 0.538 nan 8.150 nan 0.000 0.447 112 T N -3.812 110.667 114.554 -0.125 0.000 2.821 112 T HA -0.207 4.134 4.350 -0.015 0.000 0.267 112 T C 1.856 176.482 174.700 -0.124 0.000 1.046 112 T CA 1.495 63.469 62.100 -0.211 0.000 1.139 112 T CB -0.615 68.170 68.868 -0.139 0.000 0.871 112 T HN 0.462 nan 8.240 nan 0.000 0.454 113 Y N 2.277 122.501 120.300 -0.127 0.000 2.165 113 Y HA -0.137 4.404 4.550 -0.015 0.000 0.286 113 Y C 2.626 178.467 175.900 -0.099 0.000 1.155 113 Y CA 1.696 59.739 58.100 -0.095 0.000 1.164 113 Y CB -0.533 37.890 38.460 -0.062 0.000 0.978 113 Y HN 0.265 nan 8.280 nan 0.000 0.513 114 Q N -0.998 118.734 119.800 -0.114 0.000 2.291 114 Q HA -0.110 4.221 4.340 -0.015 0.000 0.205 114 Q C 1.492 177.366 176.000 -0.210 0.000 0.970 114 Q CA 0.797 56.495 55.803 -0.175 0.000 0.876 114 Q CB -0.034 28.675 28.738 -0.048 0.000 0.935 114 Q HN 0.357 nan 8.270 nan 0.000 0.455 115 L N -1.005 120.076 121.223 -0.237 0.000 2.591 115 L HA 0.151 4.482 4.340 -0.015 0.000 0.228 115 L C 1.117 177.826 176.870 -0.268 0.000 1.133 115 L CA 1.174 55.860 54.840 -0.257 0.000 0.880 115 L CB -0.320 41.507 42.059 -0.388 0.000 1.033 115 L HN 0.304 nan 8.230 nan 0.000 0.450 116 G N -0.080 108.543 108.800 -0.294 0.000 2.171 116 G HA2 -0.234 3.716 3.960 -0.015 0.000 0.238 116 G HA3 -0.234 3.716 3.960 -0.015 0.000 0.238 116 G C -0.015 174.751 174.900 -0.224 0.000 1.039 116 G CA 0.144 45.082 45.100 -0.271 0.000 0.759 116 G HN 0.263 nan 8.290 nan 0.000 0.501 117 L N -0.127 120.966 121.223 -0.217 0.000 2.362 117 L HA 0.573 4.903 4.340 -0.015 0.000 0.271 117 L C -0.598 176.245 176.870 -0.045 0.000 1.002 117 L CA -1.183 53.561 54.840 -0.160 0.000 0.818 117 L CB 1.939 43.845 42.059 -0.255 0.000 1.298 117 L HN 0.078 nan 8.230 nan 0.000 0.420 118 D N 2.396 122.798 120.400 0.004 0.000 2.347 118 D HA 0.161 4.791 4.640 -0.015 0.000 0.235 118 D C 0.621 176.952 176.300 0.052 0.000 1.149 118 D CA -0.136 53.892 54.000 0.047 0.000 0.850 118 D CB 1.522 42.354 40.800 0.054 0.000 1.061 118 D HN 0.511 nan 8.370 nan 0.000 0.487 119 M N 3.198 122.830 119.600 0.053 0.000 2.229 119 M HA -0.120 4.351 4.480 -0.015 0.000 0.264 119 M C 1.285 177.627 176.300 0.071 0.000 1.063 119 M CA 1.428 56.767 55.300 0.066 0.000 1.114 119 M CB 0.223 32.855 32.600 0.053 0.000 1.387 119 M HN 0.409 nan 8.290 nan 0.000 0.420 120 E N -0.194 120.039 120.200 0.054 0.000 2.150 120 E HA -0.241 4.100 4.350 -0.015 0.000 0.193 120 E C 1.802 178.433 176.600 0.052 0.000 0.985 120 E CA 1.205 57.633 56.400 0.046 0.000 0.814 120 E CB -0.111 29.612 29.700 0.039 0.000 0.752 120 E HN 0.634 nan 8.360 nan 0.000 0.466 121 E N 0.478 120.714 120.200 0.060 0.000 2.072 121 E HA -0.180 4.160 4.350 -0.015 0.000 0.190 121 E C 1.888 178.529 176.600 0.068 0.000 0.982 121 E CA 0.517 56.954 56.400 0.062 0.000 0.803 121 E CB 0.194 29.934 29.700 0.066 0.000 0.755 121 E HN 0.082 nan 8.360 nan 0.000 0.453 122 L N 1.500 122.785 121.223 0.103 0.000 2.083 122 L HA -0.141 4.190 4.340 -0.015 0.000 0.209 122 L C 2.061 178.989 176.870 0.096 0.000 1.083 122 L CA 1.627 56.560 54.840 0.155 0.000 0.752 122 L CB -0.676 41.527 42.059 0.239 0.000 0.899 122 L HN 0.143 nan 8.230 nan 0.000 0.433 123 E N -0.731 119.515 120.200 0.076 0.000 2.153 123 E HA -0.194 4.147 4.350 -0.015 0.000 0.194 123 E C 1.846 178.405 176.600 -0.068 0.000 0.988 123 E CA 0.777 57.193 56.400 0.027 0.000 0.811 123 E CB 0.028 29.749 29.700 0.034 0.000 0.746 123 E HN 0.400 nan 8.360 nan 0.000 0.466 124 E N 0.228 120.402 120.200 -0.043 0.000 2.338 124 E HA -0.115 4.226 4.350 -0.015 0.000 0.197 124 E C 1.864 178.398 176.600 -0.111 0.000 1.007 124 E CA 0.547 56.921 56.400 -0.044 0.000 0.849 124 E CB 0.037 29.746 29.700 0.016 0.000 0.774 124 E HN 0.394 nan 8.360 nan 0.000 0.506 125 I N 0.901 121.342 120.570 -0.214 0.000 2.500 125 I HA -0.123 4.038 4.170 -0.015 0.000 0.252 125 I C 1.405 177.218 176.117 -0.507 0.000 1.142 125 I CA 0.312 61.417 61.300 -0.324 0.000 1.451 125 I CB 0.065 37.874 38.000 -0.318 0.000 1.093 125 I HN -0.024 nan 8.210 nan 0.000 0.430 126 E N 2.782 122.546 120.200 -0.727 0.000 2.465 126 E HA -0.063 4.278 4.350 -0.015 0.000 0.260 126 E C -0.209 176.298 176.600 -0.155 0.000 0.980 126 E CA -0.147 55.908 56.400 -0.575 0.000 0.927 126 E CB 0.550 30.033 29.700 -0.362 0.000 0.934 126 E HN 0.105 nan 8.360 nan 0.000 0.459 127 E N 3.506 123.708 120.200 0.004 0.000 2.373 127 E HA 0.040 4.381 4.350 -0.015 0.000 0.267 127 E C -0.774 175.921 176.600 0.157 0.000 1.032 127 E CA -0.166 56.317 56.400 0.138 0.000 0.889 127 E CB 0.673 30.543 29.700 0.283 0.000 0.984 127 E HN 0.496 nan 8.360 nan 0.000 0.425 128 D N 0.747 121.217 120.400 0.117 0.000 2.455 128 D HA 0.138 4.769 4.640 -0.015 0.000 0.241 128 D C -0.337 176.000 176.300 0.061 0.000 1.138 128 D CA 0.211 54.259 54.000 0.079 0.000 0.877 128 D CB 0.581 41.422 40.800 0.068 0.000 1.187 128 D HN 0.364 nan 8.370 nan 0.000 0.451 129 A N 2.495 125.305 122.820 -0.016 0.000 2.671 129 A HA 0.471 4.782 4.320 -0.015 0.000 0.306 129 A C 1.017 178.436 177.584 -0.275 0.000 1.473 129 A CA -0.406 51.420 52.037 -0.353 0.000 1.155 129 A CB -0.224 18.634 19.000 -0.236 0.000 1.123 129 A HN 0.546 nan 8.150 nan 0.000 0.545 130 G N 2.170 110.730 108.800 -0.401 0.000 3.943 130 G HA2 0.422 4.372 3.960 -0.015 0.000 0.275 130 G HA3 0.422 4.372 3.960 -0.015 0.000 0.275 130 G C 0.297 174.891 174.900 -0.510 0.000 1.234 130 G CA -0.298 44.604 45.100 -0.331 0.000 1.522 130 G HN 0.690 nan 8.290 nan 0.000 0.636 131 L N 1.308 122.308 121.223 -0.371 0.000 2.862 131 L HA 0.377 4.708 4.340 -0.015 0.000 0.240 131 L C 1.041 177.830 176.870 -0.135 0.000 1.283 131 L CA -0.185 54.563 54.840 -0.153 0.000 1.117 131 L CB -0.287 41.813 42.059 0.069 0.000 1.444 131 L HN 0.337 nan 8.230 nan 0.000 0.456 132 G N -1.329 107.175 108.800 -0.494 0.000 2.660 132 G HA2 0.188 4.139 3.960 -0.015 0.000 0.290 132 G HA3 0.188 4.139 3.960 -0.015 0.000 0.290 132 G C -0.146 174.399 174.900 -0.592 0.000 1.432 132 G CA -0.457 44.397 45.100 -0.410 0.000 0.807 132 G HN -0.097 nan 8.290 nan 0.000 0.485 133 N N -0.789 117.777 118.700 -0.224 0.000 2.387 133 N HA 0.208 4.939 4.740 -0.015 0.000 0.176 133 N C 1.153 176.705 175.510 0.069 0.000 1.022 133 N CA 1.317 54.304 53.050 -0.104 0.000 0.883 133 N CB 1.224 39.721 38.487 0.017 0.000 1.019 133 N HN 0.852 nan 8.380 nan 0.000 0.435 134 G N -0.645 108.266 108.800 0.185 0.000 2.649 134 G HA2 0.148 4.099 3.960 -0.015 0.000 0.078 134 G HA3 0.148 4.099 3.960 -0.015 0.000 0.078 134 G C 0.687 175.695 174.900 0.179 0.000 1.110 134 G CA 0.204 45.451 45.100 0.245 0.000 1.269 134 G HN 0.149 nan 8.290 nan 0.000 0.581 135 G N 0.353 109.211 108.800 0.098 0.000 2.418 135 G HA2 -0.012 3.939 3.960 -0.015 0.000 0.217 135 G HA3 -0.012 3.939 3.960 -0.015 0.000 0.217 135 G C 1.880 176.774 174.900 -0.010 0.000 1.158 135 G CA 1.491 46.612 45.100 0.036 0.000 0.771 135 G HN 0.790 nan 8.290 nan 0.000 0.545 136 L N 0.608 121.807 121.223 -0.039 0.000 2.056 136 L HA 0.120 4.450 4.340 -0.015 0.000 0.207 136 L C 2.816 179.619 176.870 -0.111 0.000 1.078 136 L CA 1.878 56.611 54.840 -0.179 0.000 0.749 136 L CB -0.523 41.386 42.059 -0.249 0.000 0.901 136 L HN 0.225 nan 8.230 nan 0.000 0.433 137 G N -0.690 108.108 108.800 -0.002 0.000 2.408 137 G HA2 -0.256 3.695 3.960 -0.015 0.000 0.217 137 G HA3 -0.256 3.695 3.960 -0.015 0.000 0.217 137 G C 1.696 176.663 174.900 0.113 0.000 1.150 137 G CA 0.339 45.467 45.100 0.047 0.000 0.776 137 G HN 0.189 nan 8.290 nan 0.000 0.542 138 R N 0.132 120.710 120.500 0.130 0.000 2.115 138 R HA 0.121 4.452 4.340 -0.015 0.000 0.226 138 R C 2.435 178.737 176.300 0.003 0.000 1.100 138 R CA 0.660 56.813 56.100 0.089 0.000 0.980 138 R CB -1.033 29.285 30.300 0.030 0.000 0.875 138 R HN 0.384 nan 8.270 nan 0.000 0.445 139 L N 0.688 121.846 121.223 -0.109 0.000 2.012 139 L HA -0.084 4.247 4.340 -0.015 0.000 0.210 139 L C 2.179 178.774 176.870 -0.458 0.000 1.073 139 L CA 2.253 56.888 54.840 -0.342 0.000 0.748 139 L CB -0.812 41.000 42.059 -0.411 0.000 0.891 139 L HN 0.197 nan 8.230 nan 0.000 0.431 140 A N -0.633 122.053 122.820 -0.224 0.000 1.908 140 A HA -0.176 4.135 4.320 -0.015 0.000 0.218 140 A C 2.436 180.100 177.584 0.133 0.000 1.181 140 A CA 1.978 53.971 52.037 -0.073 0.000 0.627 140 A CB -1.162 17.761 19.000 -0.129 0.000 0.818 140 A HN 0.586 nan 8.150 nan 0.000 0.445 141 A N -1.107 121.814 122.820 0.169 0.000 1.873 141 A HA -0.145 4.166 4.320 -0.015 0.000 0.215 141 A C 2.317 179.979 177.584 0.130 0.000 1.186 141 A CA 1.609 53.762 52.037 0.193 0.000 0.616 141 A CB -1.271 17.827 19.000 0.164 0.000 0.823 141 A HN 0.598 nan 8.150 nan 0.000 0.442 142 C N -1.453 117.924 119.300 0.128 0.000 2.429 142 C HA -0.078 4.373 4.460 -0.015 0.000 0.277 142 C C 2.430 177.585 174.990 0.276 0.000 1.262 142 C CA 0.672 59.803 59.018 0.188 0.000 1.733 142 C CB -1.630 26.240 27.740 0.217 0.000 2.010 142 C HN 0.603 nan 8.230 nan 0.000 0.483 143 F N 1.182 121.121 119.950 -0.019 0.000 2.134 143 F HA -0.082 4.436 4.527 -0.016 0.000 0.299 143 F C 2.238 177.977 175.800 -0.102 0.000 1.097 143 F CA 1.071 59.006 58.000 -0.109 0.000 1.264 143 F CB -1.351 37.452 39.000 -0.329 0.000 1.001 143 F HN 0.198 nan 8.300 nan 0.000 0.479 144 L N -0.456 120.840 121.223 0.122 0.000 2.046 144 L HA -0.247 4.084 4.340 -0.015 0.000 0.208 144 L C 2.157 179.033 176.870 0.010 0.000 1.077 144 L CA 1.895 56.758 54.840 0.038 0.000 0.747 144 L CB -0.777 41.304 42.059 0.037 0.000 0.896 144 L HN 0.099 nan 8.230 nan 0.000 0.432 145 D N -0.421 119.997 120.400 0.029 0.000 2.104 145 D HA -0.183 4.448 4.640 -0.015 0.000 0.194 145 D C 2.205 178.518 176.300 0.021 0.000 0.994 145 D CA 1.596 55.600 54.000 0.007 0.000 0.830 145 D CB 0.189 40.992 40.800 0.006 0.000 0.959 145 D HN 0.084 nan 8.370 nan 0.000 0.452 146 S N -0.762 114.968 115.700 0.049 0.000 2.383 146 S HA -0.104 4.357 4.470 -0.015 0.000 0.227 146 S C 1.992 176.601 174.600 0.016 0.000 1.026 146 S CA 0.827 59.048 58.200 0.035 0.000 0.981 146 S CB -0.217 63.010 63.200 0.045 0.000 0.818 146 S HN 0.337 nan 8.310 nan 0.000 0.472 147 M N 1.021 120.622 119.600 0.001 0.000 2.117 147 M HA -0.109 4.362 4.480 -0.015 0.000 0.262 147 M C 2.479 178.777 176.300 -0.004 0.000 1.065 147 M CA 1.484 56.781 55.300 -0.005 0.000 1.114 147 M CB -0.529 32.046 32.600 -0.042 0.000 1.361 147 M HN 0.400 nan 8.290 nan 0.000 0.408 148 A N -0.253 122.560 122.820 -0.010 0.000 1.898 148 A HA -0.129 4.182 4.320 -0.015 0.000 0.216 148 A C 2.170 179.766 177.584 0.020 0.000 1.181 148 A CA 2.087 54.123 52.037 -0.002 0.000 0.620 148 A CB -1.128 17.854 19.000 -0.031 0.000 0.819 148 A HN 0.427 nan 8.150 nan 0.000 0.442 149 T N 0.349 114.920 114.554 0.028 0.000 2.833 149 T HA -0.039 4.301 4.350 -0.015 0.000 0.269 149 T C 1.348 176.077 174.700 0.048 0.000 1.054 149 T CA 1.257 63.388 62.100 0.052 0.000 1.135 149 T CB -0.289 68.617 68.868 0.063 0.000 0.869 149 T HN 0.349 nan 8.240 nan 0.000 0.466 150 L N 0.327 121.574 121.223 0.041 0.000 2.629 150 L HA 0.302 4.633 4.340 -0.015 0.000 0.230 150 L C 1.655 178.557 176.870 0.053 0.000 1.151 150 L CA -0.002 54.865 54.840 0.044 0.000 0.924 150 L CB -0.369 41.715 42.059 0.043 0.000 1.137 150 L HN 0.409 nan 8.230 nan 0.000 0.457 151 G N 1.076 109.911 108.800 0.058 0.000 2.198 151 G HA2 -0.283 3.668 3.960 -0.015 0.000 0.260 151 G HA3 -0.283 3.668 3.960 -0.015 0.000 0.260 151 G C 0.126 175.082 174.900 0.094 0.000 1.025 151 G CA 0.008 45.162 45.100 0.090 0.000 0.769 151 G HN 0.278 nan 8.290 nan 0.000 0.507 152 L N -0.075 121.171 121.223 0.037 0.000 2.350 152 L HA 0.599 4.930 4.340 -0.015 0.000 0.275 152 L C 1.265 178.028 176.870 -0.178 0.000 1.099 152 L CA -0.314 54.502 54.840 -0.041 0.000 0.808 152 L CB 1.494 43.534 42.059 -0.032 0.000 1.149 152 L HN 0.261 nan 8.230 nan 0.000 0.442 153 A N 3.039 125.620 122.820 -0.398 0.000 2.981 153 A HA 0.543 4.854 4.320 -0.015 0.000 0.280 153 A C 0.291 177.517 177.584 -0.596 0.000 1.743 153 A CA -0.123 51.388 52.037 -0.877 0.000 1.430 153 A CB -0.712 17.683 19.000 -1.009 0.000 1.085 153 A HN 0.694 nan 8.150 nan 0.000 0.597 154 A N 1.565 124.072 122.820 -0.523 0.000 2.350 154 A HA 0.792 5.102 4.320 -0.015 0.000 0.324 154 A C -1.044 176.259 177.584 -0.468 0.000 1.118 154 A CA -0.470 51.332 52.037 -0.391 0.000 0.783 154 A CB 0.819 19.663 19.000 -0.260 0.000 1.236 154 A HN 0.616 nan 8.150 nan 0.000 0.457 155 Y N 0.427 120.645 120.300 -0.137 0.000 2.373 155 Y HA 0.538 5.079 4.550 -0.015 0.000 0.336 155 Y C 0.847 176.815 175.900 0.115 0.000 0.979 155 Y CA -0.573 57.519 58.100 -0.014 0.000 1.080 155 Y CB 2.422 40.959 38.460 0.128 0.000 1.190 155 Y HN 0.834 nan 8.280 nan 0.000 0.446 156 G N 2.274 111.140 108.800 0.110 0.000 2.338 156 G HA2 0.442 4.393 3.960 -0.015 0.000 0.298 156 G HA3 0.442 4.393 3.960 -0.015 0.000 0.298 156 G C -1.716 173.183 174.900 -0.002 0.000 1.140 156 G CA -0.229 44.968 45.100 0.161 0.000 0.860 156 G HN 0.523 nan 8.290 nan 0.000 0.470 157 Y N 1.026 121.553 120.300 0.379 0.000 2.350 157 Y HA 0.635 5.176 4.550 -0.015 0.000 0.338 157 Y C 0.764 176.972 175.900 0.512 0.000 0.961 157 Y CA 0.217 58.512 58.100 0.324 0.000 1.100 157 Y CB 2.680 41.353 38.460 0.354 0.000 1.179 157 Y HN 0.875 nan 8.280 nan 0.000 0.454 158 G N 2.273 111.396 108.800 0.539 0.000 2.753 158 G HA2 0.587 4.538 3.960 -0.015 0.000 0.303 158 G HA3 0.587 4.538 3.960 -0.015 0.000 0.303 158 G C -1.774 173.364 174.900 0.396 0.000 1.242 158 G CA -0.832 44.605 45.100 0.563 0.000 0.810 158 G HN 0.430 nan 8.290 nan 0.000 0.515 159 I N 0.568 121.270 120.570 0.221 0.000 2.441 159 I HA 0.441 4.602 4.170 -0.015 0.000 0.295 159 I C 0.303 176.333 176.117 -0.146 0.000 0.994 159 I CA -0.734 60.585 61.300 0.031 0.000 1.144 159 I CB 2.200 40.047 38.000 -0.255 0.000 1.314 159 I HN 0.350 nan 8.210 nan 0.000 0.445 160 R N 6.095 126.601 120.500 0.010 0.000 2.419 160 R HA 0.239 4.569 4.340 -0.015 0.000 0.305 160 R C -1.317 175.020 176.300 0.061 0.000 1.242 160 R CA -0.426 55.707 56.100 0.055 0.000 1.105 160 R CB 0.022 30.334 30.300 0.021 0.000 1.116 160 R HN 0.409 nan 8.270 nan 0.000 0.523 161 Y N 1.717 122.174 120.300 0.261 0.000 2.425 161 Y HA -0.062 4.479 4.550 -0.016 0.000 0.331 161 Y C 1.584 177.654 175.900 0.283 0.000 1.157 161 Y CA 0.011 58.254 58.100 0.239 0.000 1.372 161 Y CB 0.874 39.456 38.460 0.204 0.000 1.253 161 Y HN 0.606 nan 8.280 nan 0.000 0.536 162 E N 2.189 122.553 120.200 0.273 0.000 2.106 162 E HA -0.084 4.257 4.350 -0.015 0.000 0.192 162 E C -0.730 175.723 176.600 -0.244 0.000 0.984 162 E CA 0.779 57.132 56.400 -0.078 0.000 0.806 162 E CB 0.161 29.711 29.700 -0.250 0.000 0.750 162 E HN 0.509 nan 8.360 nan 0.000 0.458 163 F N -0.264 119.902 119.950 0.361 0.000 2.477 163 F HA 0.436 4.953 4.527 -0.015 0.000 0.335 163 F C 0.784 176.680 175.800 0.160 0.000 1.130 163 F CA -0.861 57.312 58.000 0.288 0.000 0.948 163 F CB 1.845 40.946 39.000 0.167 0.000 1.154 163 F HN -0.101 nan 8.300 nan 0.000 0.439 164 G N 1.864 110.782 108.800 0.198 0.000 2.504 164 G HA2 0.324 4.275 3.960 -0.015 0.000 0.257 164 G HA3 0.324 4.275 3.960 -0.015 0.000 0.257 164 G C -0.510 174.346 174.900 -0.073 0.000 1.451 164 G CA -0.664 44.386 45.100 -0.083 0.000 1.059 164 G HN 0.547 nan 8.290 nan 0.000 0.550 165 I N 0.999 121.438 120.570 -0.218 0.000 2.752 165 I HA 0.199 4.360 4.170 -0.015 0.000 0.289 165 I C 0.566 176.578 176.117 -0.176 0.000 1.197 165 I CA -1.089 60.058 61.300 -0.255 0.000 1.432 165 I CB -0.365 37.379 38.000 -0.427 0.000 1.359 165 I HN 0.326 nan 8.210 nan 0.000 0.571 166 F N 6.308 126.266 119.950 0.014 0.000 2.626 166 F HA 0.220 4.738 4.527 -0.015 0.000 0.354 166 F C 0.540 176.387 175.800 0.078 0.000 1.168 166 F CA -0.538 57.493 58.000 0.051 0.000 1.368 166 F CB -0.333 38.687 39.000 0.032 0.000 1.092 166 F HN 0.428 nan 8.300 nan 0.000 0.612 167 N N 2.266 121.136 118.700 0.285 0.000 2.497 167 N HA 0.042 4.772 4.740 -0.015 0.000 0.271 167 N C -0.797 174.944 175.510 0.384 0.000 1.142 167 N CA -0.259 52.935 53.050 0.239 0.000 0.965 167 N CB 1.172 39.785 38.487 0.210 0.000 1.077 167 N HN 0.748 nan 8.380 nan 0.000 0.462 168 Q N 2.562 122.559 119.800 0.329 0.000 2.303 168 Q HA 0.166 4.497 4.340 -0.015 0.000 0.257 168 Q C -0.947 175.217 176.000 0.272 0.000 0.941 168 Q CA -0.418 55.613 55.803 0.380 0.000 0.931 168 Q CB 0.680 29.648 28.738 0.384 0.000 1.215 168 Q HN 0.240 nan 8.270 nan 0.000 0.437 169 K N 4.146 124.683 120.400 0.230 0.000 2.207 169 K HA 0.472 4.783 4.320 -0.015 0.000 0.255 169 K C -0.587 176.110 176.600 0.162 0.000 0.941 169 K CA -0.901 55.497 56.287 0.185 0.000 0.825 169 K CB 1.564 34.153 32.500 0.148 0.000 1.119 169 K HN 0.621 nan 8.250 nan 0.000 0.430 170 I N 2.430 123.088 120.570 0.147 0.000 2.330 170 I HA 0.209 4.370 4.170 -0.015 0.000 0.289 170 I C -0.293 175.881 176.117 0.095 0.000 1.001 170 I CA -0.666 60.693 61.300 0.099 0.000 1.193 170 I CB 0.718 38.759 38.000 0.069 0.000 1.345 170 I HN 0.419 nan 8.210 nan 0.000 0.461 171 C N 4.018 123.384 119.300 0.111 0.000 2.322 171 C HA 0.586 5.037 4.460 -0.015 0.000 0.324 171 C C 1.127 176.219 174.990 0.170 0.000 1.249 171 C CA -0.522 58.567 59.018 0.118 0.000 1.453 171 C CB 0.506 28.309 27.740 0.105 0.000 2.145 171 C HN 1.091 nan 8.230 nan 0.000 0.466 172 G N 2.469 111.343 108.800 0.123 0.000 2.249 172 G HA2 0.124 4.075 3.960 -0.015 0.000 0.273 172 G HA3 0.124 4.075 3.960 -0.015 0.000 0.273 172 G C 1.106 176.029 174.900 0.039 0.000 1.036 172 G CA 1.008 46.190 45.100 0.136 0.000 0.824 172 G HN 2.381 nan 8.290 nan 0.000 0.504 173 G N -2.871 105.889 108.800 -0.067 0.000 2.199 173 G HA2 -0.296 3.655 3.960 -0.015 0.000 0.254 173 G HA3 -0.296 3.655 3.960 -0.015 0.000 0.254 173 G C 0.389 175.043 174.900 -0.410 0.000 0.982 173 G CA 0.641 45.573 45.100 -0.281 0.000 0.632 173 G HN 1.195 nan 8.290 nan 0.000 0.529 174 W N 1.018 122.264 121.300 -0.091 0.000 2.512 174 W HA 0.659 5.309 4.660 -0.015 0.000 0.335 174 W C 0.673 177.138 176.519 -0.090 0.000 1.088 174 W CA -0.856 56.429 57.345 -0.100 0.000 1.236 174 W CB 0.811 30.228 29.460 -0.071 0.000 1.307 174 W HN 0.252 nan 8.180 nan 0.000 0.567 175 Q N 3.264 123.155 119.800 0.151 0.000 2.311 175 Q HA 0.183 4.514 4.340 -0.015 0.000 0.272 175 Q C -0.550 175.507 176.000 0.096 0.000 1.012 175 Q CA 0.240 56.105 55.803 0.104 0.000 0.891 175 Q CB 0.501 29.292 28.738 0.088 0.000 1.201 175 Q HN 0.317 nan 8.270 nan 0.000 0.391 176 M N 3.215 122.866 119.600 0.086 0.000 2.456 176 M HA 0.381 4.851 4.480 -0.015 0.000 0.324 176 M C -1.057 175.256 176.300 0.022 0.000 1.124 176 M CA -0.682 54.638 55.300 0.033 0.000 0.959 176 M CB 1.790 34.420 32.600 0.051 0.000 1.692 176 M HN 0.599 nan 8.290 nan 0.000 0.444 177 E N 1.766 121.911 120.200 -0.091 0.000 2.191 177 E HA 0.449 4.789 4.350 -0.015 0.000 0.278 177 E C -0.718 175.879 176.600 -0.005 0.000 0.972 177 E CA -0.545 55.774 56.400 -0.136 0.000 0.804 177 E CB 1.547 30.921 29.700 -0.543 0.000 1.110 177 E HN 0.525 nan 8.360 nan 0.000 0.394 178 E N 0.904 121.177 120.200 0.121 0.000 2.317 178 E HA 0.728 5.068 4.350 -0.015 0.000 0.270 178 E C -1.070 175.618 176.600 0.148 0.000 0.885 178 E CA -1.524 54.935 56.400 0.099 0.000 0.760 178 E CB 1.436 31.198 29.700 0.103 0.000 1.227 178 E HN 0.442 nan 8.360 nan 0.000 0.434 179 A N 2.051 124.914 122.820 0.071 0.000 2.546 179 A HA 0.052 4.363 4.320 -0.015 0.000 0.243 179 A C -0.100 177.643 177.584 0.265 0.000 1.063 179 A CA 0.208 52.290 52.037 0.075 0.000 0.757 179 A CB -0.069 18.822 19.000 -0.183 0.000 0.991 179 A HN 0.704 nan 8.150 nan 0.000 0.503 180 D N 1.782 122.408 120.400 0.378 0.000 2.483 180 D HA 0.176 4.807 4.640 -0.015 0.000 0.220 180 D C -0.391 176.253 176.300 0.574 0.000 1.173 180 D CA -0.128 54.109 54.000 0.396 0.000 0.964 180 D CB 0.306 41.271 40.800 0.274 0.000 1.046 180 D HN 0.381 nan 8.370 nan 0.000 0.517 181 D N 3.817 124.513 120.400 0.492 0.000 2.801 181 D HA -0.023 4.607 4.640 -0.015 0.000 0.232 181 D C 1.112 177.552 176.300 0.234 0.000 1.128 181 D CA -0.543 53.673 54.000 0.360 0.000 1.003 181 D CB -0.208 40.796 40.800 0.340 0.000 1.110 181 D HN 0.563 nan 8.370 nan 0.000 0.477 182 W N 1.492 122.833 121.300 0.069 0.000 2.611 182 W HA -0.030 4.621 4.660 -0.015 0.000 0.251 182 W C 0.086 176.660 176.519 0.092 0.000 1.265 182 W CA 0.079 57.482 57.345 0.097 0.000 1.295 182 W CB -0.736 28.781 29.460 0.095 0.000 1.129 182 W HN 0.169 nan 8.180 nan 0.000 0.630 183 L N 0.917 121.793 121.223 -0.578 0.000 2.607 183 L HA 0.195 4.526 4.340 -0.015 0.000 0.228 183 L C 2.742 179.451 176.870 -0.268 0.000 1.123 183 L CA -0.065 54.406 54.840 -0.614 0.000 0.890 183 L CB -0.597 40.965 42.059 -0.828 0.000 1.103 183 L HN -0.116 nan 8.230 nan 0.000 0.468 184 R N 0.607 121.011 120.500 -0.160 0.000 2.113 184 R HA -0.234 4.097 4.340 -0.015 0.000 0.244 184 R C 1.335 177.460 176.300 -0.292 0.000 1.142 184 R CA 2.142 58.108 56.100 -0.224 0.000 0.953 184 R CB -0.184 29.969 30.300 -0.246 0.000 0.860 184 R HN 0.315 nan 8.270 nan 0.000 0.438 185 Y N -0.525 119.791 120.300 0.027 0.000 2.457 185 Y HA 0.324 4.865 4.550 -0.015 0.000 0.263 185 Y C 0.807 176.699 175.900 -0.014 0.000 1.164 185 Y CA 0.411 58.535 58.100 0.040 0.000 1.274 185 Y CB 0.937 39.527 38.460 0.218 0.000 1.097 185 Y HN 0.432 nan 8.280 nan 0.000 0.523 186 G N 1.352 110.196 108.800 0.073 0.000 2.699 186 G HA2 -0.227 3.723 3.960 -0.015 0.000 0.686 186 G HA3 -0.227 3.723 3.960 -0.015 0.000 0.686 186 G C -1.242 173.734 174.900 0.126 0.000 1.301 186 G CA -0.826 44.284 45.100 0.017 0.000 0.816 186 G HN 0.254 nan 8.290 nan 0.000 0.595 187 N N 1.273 119.991 118.700 0.030 0.000 2.524 187 N HA 0.582 5.312 4.740 -0.015 0.000 0.261 187 N C -0.604 174.919 175.510 0.022 0.000 0.998 187 N CA -2.017 51.077 53.050 0.072 0.000 0.915 187 N CB 1.994 40.461 38.487 -0.033 0.000 1.187 187 N HN 0.234 nan 8.380 nan 0.000 0.507 188 P HA 0.007 nan 4.420 nan 0.000 0.229 188 P C 0.623 177.618 177.300 -0.507 0.000 1.160 188 P CA 0.788 63.596 63.100 -0.487 0.000 0.777 188 P CB 0.097 31.211 31.700 -0.977 0.000 0.814 189 W N 1.896 123.206 121.300 0.016 0.000 2.658 189 W HA 0.045 4.696 4.660 -0.015 0.000 0.263 189 W C 1.267 177.824 176.519 0.064 0.000 1.274 189 W CA -0.321 57.029 57.345 0.008 0.000 1.343 189 W CB -0.271 29.194 29.460 0.009 0.000 1.106 189 W HN 0.025 nan 8.180 nan 0.000 0.615 190 E N 1.671 122.040 120.200 0.282 0.000 2.319 190 E HA 0.334 4.675 4.350 -0.015 0.000 0.268 190 E C -0.661 176.108 176.600 0.282 0.000 1.050 190 E CA -0.795 55.785 56.400 0.299 0.000 0.878 190 E CB 1.386 31.274 29.700 0.315 0.000 1.066 190 E HN -0.308 nan 8.360 nan 0.000 0.406 191 K N 1.764 122.347 120.400 0.305 0.000 2.483 191 K HA 0.410 4.721 4.320 -0.015 0.000 0.256 191 K C -1.125 175.511 176.600 0.061 0.000 0.961 191 K CA -0.474 55.929 56.287 0.193 0.000 0.873 191 K CB 1.490 34.105 32.500 0.192 0.000 1.107 191 K HN 0.665 nan 8.250 nan 0.000 0.432 192 A N 4.277 127.047 122.820 -0.082 0.000 2.540 192 A HA 0.264 4.575 4.320 -0.015 0.000 0.239 192 A C -0.216 177.206 177.584 -0.269 0.000 1.061 192 A CA 0.022 51.753 52.037 -0.510 0.000 0.758 192 A CB 0.183 18.884 19.000 -0.498 0.000 0.991 192 A HN 0.685 nan 8.150 nan 0.000 0.502 193 R N 3.334 123.673 120.500 -0.269 0.000 2.835 193 R HA 0.197 4.528 4.340 -0.015 0.000 0.290 193 R C -2.303 173.962 176.300 -0.058 0.000 1.410 193 R CA -1.618 54.453 56.100 -0.049 0.000 1.590 193 R CB 0.686 31.101 30.300 0.192 0.000 1.288 193 R HN 0.574 nan 8.270 nan 0.000 0.637 194 P HA -0.191 nan 4.420 nan 0.000 0.221 194 P C 0.953 178.190 177.300 -0.104 0.000 1.145 194 P CA 1.136 64.184 63.100 -0.086 0.000 0.795 194 P CB 0.363 32.011 31.700 -0.088 0.000 0.775 195 E N -0.128 119.924 120.200 -0.245 0.000 2.338 195 E HA -0.141 4.199 4.350 -0.015 0.000 0.197 195 E C 0.680 177.009 176.600 -0.452 0.000 1.007 195 E CA 0.905 57.058 56.400 -0.411 0.000 0.849 195 E CB -0.904 28.422 29.700 -0.623 0.000 0.774 195 E HN 0.293 nan 8.360 nan 0.000 0.506 196 F N 1.897 121.861 119.950 0.022 0.000 2.684 196 F HA 0.258 4.776 4.527 -0.015 0.000 0.298 196 F C 0.442 176.330 175.800 0.147 0.000 1.120 196 F CA -0.397 57.646 58.000 0.072 0.000 1.332 196 F CB 0.180 39.219 39.000 0.066 0.000 0.986 196 F HN -0.301 nan 8.300 nan 0.000 0.524 197 T N 2.821 117.504 114.554 0.215 0.000 2.928 197 T HA 0.277 4.618 4.350 -0.015 0.000 0.305 197 T C -0.208 174.588 174.700 0.159 0.000 1.035 197 T CA 0.331 62.559 62.100 0.212 0.000 1.145 197 T CB 0.606 69.551 68.868 0.128 0.000 0.963 197 T HN -0.148 nan 8.240 nan 0.000 0.545 198 L N 5.996 127.289 121.223 0.116 0.000 2.354 198 L HA 0.559 4.890 4.340 -0.015 0.000 0.269 198 L C -2.190 174.636 176.870 -0.072 0.000 1.005 198 L CA -2.523 52.313 54.840 -0.006 0.000 0.819 198 L CB 1.901 43.889 42.059 -0.119 0.000 1.311 198 L HN 0.384 nan 8.230 nan 0.000 0.423 199 P HA 0.360 nan 4.420 nan 0.000 0.288 199 P C -1.206 175.957 177.300 -0.229 0.000 1.267 199 P CA -0.369 62.644 63.100 -0.144 0.000 0.815 199 P CB 1.689 33.299 31.700 -0.150 0.000 0.989 200 V N 3.915 123.679 119.914 -0.251 0.000 2.604 200 V HA 0.333 4.444 4.120 -0.015 0.000 0.305 200 V C 0.164 176.033 176.094 -0.374 0.000 1.043 200 V CA -0.616 61.523 62.300 -0.268 0.000 0.888 200 V CB 1.462 33.178 31.823 -0.178 0.000 0.995 200 V HN 0.601 nan 8.190 nan 0.000 0.429 201 H N 3.829 122.751 119.070 -0.247 0.000 2.472 201 H HA 0.621 5.167 4.556 -0.015 0.000 0.338 201 H C -1.290 173.791 175.328 -0.412 0.000 1.133 201 H CA -0.159 55.678 56.048 -0.352 0.000 1.216 201 H CB 1.912 31.233 29.762 -0.735 0.000 1.497 201 H HN 0.479 nan 8.280 nan 0.000 0.500 202 F N 0.342 120.378 119.950 0.144 0.000 2.603 202 F HA 0.216 4.734 4.527 -0.016 0.000 0.317 202 F C -0.227 175.709 175.800 0.228 0.000 1.066 202 F CA -0.536 57.548 58.000 0.140 0.000 0.941 202 F CB 1.108 40.092 39.000 -0.026 0.000 1.291 202 F HN 0.560 nan 8.300 nan 0.000 0.472 203 Y N 0.175 120.783 120.300 0.514 0.000 2.904 203 Y HA -0.013 4.528 4.550 -0.015 0.000 0.466 203 Y C 1.343 177.504 175.900 0.434 0.000 1.202 203 Y CA 0.639 58.956 58.100 0.363 0.000 2.492 203 Y CB -1.924 36.677 38.460 0.236 0.000 1.237 203 Y HN 1.279 nan 8.280 nan 0.000 0.633 204 G N 0.667 109.748 108.800 0.468 0.000 2.593 204 G HA2 0.100 4.051 3.960 -0.015 0.000 0.237 204 G HA3 0.100 4.051 3.960 -0.015 0.000 0.237 204 G C -0.591 174.522 174.900 0.355 0.000 1.312 204 G CA 0.887 46.183 45.100 0.326 0.000 0.896 204 G HN 1.367 nan 8.290 nan 0.000 0.574 205 R N -2.509 118.196 120.500 0.342 0.000 2.734 205 R HA 0.701 5.032 4.340 -0.015 0.000 0.271 205 R C -1.353 175.096 176.300 0.249 0.000 1.021 205 R CA -1.005 55.245 56.100 0.249 0.000 0.893 205 R CB 1.369 31.761 30.300 0.154 0.000 1.244 205 R HN 0.872 nan 8.270 nan 0.000 0.464 206 V N 1.141 121.125 119.914 0.116 0.000 2.394 206 V HA 0.336 4.446 4.120 -0.015 0.000 0.282 206 V C -0.115 175.956 176.094 -0.038 0.000 1.031 206 V CA -0.516 61.787 62.300 0.006 0.000 0.881 206 V CB 1.300 33.059 31.823 -0.107 0.000 0.982 206 V HN 0.677 nan 8.190 nan 0.000 0.451 207 E N 3.141 123.292 120.200 -0.083 0.000 2.179 207 E HA 0.436 4.777 4.350 -0.015 0.000 0.275 207 E C -0.980 175.499 176.600 -0.201 0.000 0.945 207 E CA -0.722 55.641 56.400 -0.062 0.000 0.792 207 E CB 1.287 30.986 29.700 -0.001 0.000 1.125 207 E HN 0.677 nan 8.360 nan 0.000 0.397 208 H N 1.735 120.819 119.070 0.024 0.000 2.488 208 H HA 0.233 4.780 4.556 -0.015 0.000 0.322 208 H C 0.159 175.495 175.328 0.014 0.000 1.078 208 H CA -0.304 55.753 56.048 0.016 0.000 1.260 208 H CB 1.518 31.284 29.762 0.008 0.000 1.425 208 H HN 0.576 nan 8.280 nan 0.000 0.471 209 T N -0.882 113.731 114.554 0.098 0.000 2.841 209 T HA 0.201 4.542 4.350 -0.015 0.000 0.276 209 T C 1.307 176.044 174.700 0.061 0.000 1.003 209 T CA -0.767 61.371 62.100 0.063 0.000 0.995 209 T CB 1.184 70.072 68.868 0.034 0.000 1.260 209 T HN 0.363 nan 8.240 nan 0.000 0.581 210 S N -0.217 115.508 115.700 0.041 0.000 2.399 210 S HA -0.064 4.397 4.470 -0.015 0.000 0.231 210 S C 1.410 176.029 174.600 0.033 0.000 1.022 210 S CA 0.976 59.196 58.200 0.033 0.000 0.983 210 S CB -0.407 62.807 63.200 0.024 0.000 0.803 210 S HN 0.727 nan 8.310 nan 0.000 0.480 211 Q N 0.761 120.579 119.800 0.030 0.000 2.399 211 Q HA 0.456 4.786 4.340 -0.015 0.000 0.307 211 Q C 0.533 176.550 176.000 0.028 0.000 0.933 211 Q CA 0.154 55.972 55.803 0.026 0.000 0.995 211 Q CB -0.302 28.448 28.738 0.019 0.000 1.191 211 Q HN 0.466 nan 8.270 nan 0.000 0.426 212 G N -0.213 108.613 108.800 0.043 0.000 2.725 212 G HA2 -0.066 3.885 3.960 -0.015 0.000 0.220 212 G HA3 -0.066 3.885 3.960 -0.015 0.000 0.220 212 G C -0.529 174.386 174.900 0.026 0.000 1.357 212 G CA -0.674 44.456 45.100 0.050 0.000 0.866 212 G HN 0.625 nan 8.290 nan 0.000 0.548 213 A N -0.024 122.789 122.820 -0.011 0.000 2.340 213 A HA 0.719 5.030 4.320 -0.015 0.000 0.268 213 A C 0.426 177.948 177.584 -0.103 0.000 1.100 213 A CA 0.314 52.256 52.037 -0.159 0.000 0.803 213 A CB 0.627 19.486 19.000 -0.235 0.000 1.043 213 A HN 0.766 nan 8.150 nan 0.000 0.488 214 K N 0.835 121.166 120.400 -0.114 0.000 2.482 214 K HA 0.191 4.502 4.320 -0.015 0.000 0.251 214 K C -1.890 174.741 176.600 0.051 0.000 0.936 214 K CA -0.321 55.952 56.287 -0.023 0.000 0.791 214 K CB 2.222 34.712 32.500 -0.017 0.000 1.213 214 K HN 0.744 nan 8.250 nan 0.000 0.428 215 W N 5.275 126.493 121.300 -0.136 0.000 2.308 215 W HA 0.359 5.010 4.660 -0.015 0.000 0.311 215 W C -0.596 175.865 176.519 -0.097 0.000 1.088 215 W CA -0.786 56.487 57.345 -0.120 0.000 1.309 215 W CB 0.158 29.534 29.460 -0.140 0.000 1.229 215 W HN 0.329 nan 8.180 nan 0.000 0.427 216 V N 2.692 122.648 119.914 0.069 0.000 3.155 216 V HA 0.603 4.714 4.120 -0.015 0.000 0.313 216 V C -0.118 175.950 176.094 -0.043 0.000 1.162 216 V CA -0.966 61.304 62.300 -0.049 0.000 1.048 216 V CB 1.914 33.741 31.823 0.006 0.000 1.092 216 V HN 0.457 nan 8.190 nan 0.000 0.447 217 D N 0.335 120.713 120.400 -0.035 0.000 2.751 217 D HA -0.141 4.489 4.640 -0.015 0.000 0.233 217 D C 0.558 176.864 176.300 0.010 0.000 1.149 217 D CA 1.511 55.513 54.000 0.003 0.000 0.682 217 D CB -1.619 39.204 40.800 0.039 0.000 1.068 217 D HN 1.280 nan 8.370 nan 0.000 0.429 218 T N -2.775 111.740 114.554 -0.065 0.000 2.899 218 T HA 0.473 4.813 4.350 -0.015 0.000 0.284 218 T C 0.473 175.228 174.700 0.093 0.000 1.004 218 T CA -0.769 61.306 62.100 -0.041 0.000 1.043 218 T CB 1.990 70.671 68.868 -0.312 0.000 1.013 218 T HN 0.036 nan 8.240 nan 0.000 0.518 219 Q N 0.669 120.595 119.800 0.211 0.000 2.243 219 Q HA 0.558 4.889 4.340 -0.015 0.000 0.252 219 Q C -0.918 175.212 176.000 0.217 0.000 0.909 219 Q CA -0.876 55.076 55.803 0.247 0.000 0.922 219 Q CB 1.818 30.779 28.738 0.372 0.000 1.215 219 Q HN 0.507 nan 8.270 nan 0.000 0.427 220 V N 3.076 123.078 119.914 0.148 0.000 2.398 220 V HA 0.387 4.498 4.120 -0.015 0.000 0.286 220 V C -0.312 175.864 176.094 0.135 0.000 1.026 220 V CA -0.655 61.650 62.300 0.009 0.000 0.868 220 V CB 1.682 33.454 31.823 -0.085 0.000 0.982 220 V HN 0.490 nan 8.190 nan 0.000 0.443 221 V N 6.025 126.030 119.914 0.152 0.000 2.555 221 V HA 0.479 4.590 4.120 -0.015 0.000 0.302 221 V C -0.115 176.074 176.094 0.158 0.000 1.038 221 V CA -0.648 61.763 62.300 0.185 0.000 0.887 221 V CB 1.915 33.926 31.823 0.312 0.000 0.991 221 V HN 0.639 nan 8.190 nan 0.000 0.434 222 L N 3.658 124.965 121.223 0.140 0.000 2.350 222 L HA 0.700 5.031 4.340 -0.015 0.000 0.275 222 L C 0.492 177.535 176.870 0.289 0.000 1.099 222 L CA -0.260 54.667 54.840 0.144 0.000 0.808 222 L CB 1.261 43.384 42.059 0.107 0.000 1.149 222 L HN 0.761 nan 8.230 nan 0.000 0.442 223 A N 5.326 128.268 122.820 0.203 0.000 2.267 223 A HA 0.579 4.889 4.320 -0.015 0.000 0.315 223 A C -0.464 177.382 177.584 0.436 0.000 1.297 223 A CA -0.481 51.711 52.037 0.260 0.000 0.865 223 A CB 0.892 19.618 19.000 -0.456 0.000 1.165 223 A HN 0.787 nan 8.150 nan 0.000 0.513 224 M N 5.984 125.900 119.600 0.528 0.000 2.129 224 M HA 0.467 4.938 4.480 -0.015 0.000 0.348 224 M C -2.618 173.947 176.300 0.441 0.000 1.116 224 M CA -2.145 53.408 55.300 0.422 0.000 1.022 224 M CB 1.971 34.737 32.600 0.277 0.000 1.599 224 M HN 0.334 nan 8.290 nan 0.000 0.449 225 P HA 0.251 nan 4.420 nan 0.000 0.282 225 P C -1.930 175.312 177.300 -0.098 0.000 1.249 225 P CA 0.031 63.046 63.100 -0.142 0.000 0.806 225 P CB 0.475 31.918 31.700 -0.429 0.000 0.984 226 Y N 0.516 120.754 120.300 -0.104 0.000 2.350 226 Y HA 0.333 4.873 4.550 -0.015 0.000 0.338 226 Y C 0.184 176.065 175.900 -0.032 0.000 0.961 226 Y CA -0.327 57.767 58.100 -0.010 0.000 1.100 226 Y CB 1.364 39.851 38.460 0.045 0.000 1.179 226 Y HN 0.217 nan 8.280 nan 0.000 0.454 227 D N 1.865 122.366 120.400 0.169 0.000 2.193 227 D HA 0.423 5.054 4.640 -0.015 0.000 0.244 227 D C -0.618 175.901 176.300 0.365 0.000 1.064 227 D CA -0.233 53.901 54.000 0.224 0.000 0.845 227 D CB 1.785 42.728 40.800 0.240 0.000 1.148 227 D HN 0.371 nan 8.370 nan 0.000 0.464 228 T N 3.110 117.791 114.554 0.213 0.000 2.824 228 T HA 0.470 4.811 4.350 -0.015 0.000 0.282 228 T C -2.545 172.005 174.700 -0.250 0.000 0.993 228 T CA -1.463 60.663 62.100 0.044 0.000 0.967 228 T CB 2.071 70.957 68.868 0.029 0.000 0.960 228 T HN 0.169 nan 8.240 nan 0.000 0.441 229 P HA 0.324 nan 4.420 nan 0.000 0.275 229 P C -1.002 175.966 177.300 -0.552 0.000 1.227 229 P CA -0.404 62.022 63.100 -1.124 0.000 0.781 229 P CB 0.845 31.651 31.700 -1.490 0.000 0.906 230 V N 5.121 124.773 119.914 -0.437 0.000 2.305 230 V HA 0.263 4.374 4.120 -0.015 0.000 0.275 230 V C -2.092 173.867 176.094 -0.224 0.000 1.020 230 V CA -1.916 60.220 62.300 -0.273 0.000 0.811 230 V CB 1.301 33.009 31.823 -0.191 0.000 1.031 230 V HN 0.543 nan 8.190 nan 0.000 0.439 231 P HA 0.280 nan 4.420 nan 0.000 0.280 231 P C 0.367 177.613 177.300 -0.089 0.000 1.244 231 P CA 0.273 63.282 63.100 -0.151 0.000 0.784 231 P CB 1.543 33.151 31.700 -0.154 0.000 0.913 232 G N 2.135 110.901 108.800 -0.056 0.000 2.572 232 G HA2 0.137 4.087 3.960 -0.015 0.000 0.261 232 G HA3 0.137 4.087 3.960 -0.015 0.000 0.261 232 G C -1.144 173.765 174.900 0.015 0.000 1.197 232 G CA -0.576 44.520 45.100 -0.007 0.000 0.870 232 G HN 0.510 nan 8.290 nan 0.000 0.548 233 Y N 0.640 120.901 120.300 -0.065 0.000 2.674 233 Y HA 0.242 4.782 4.550 -0.016 0.000 0.354 233 Y C 1.254 177.116 175.900 -0.063 0.000 1.089 233 Y CA -0.159 57.898 58.100 -0.072 0.000 1.444 233 Y CB 0.069 38.485 38.460 -0.073 0.000 1.187 233 Y HN 0.716 nan 8.280 nan 0.000 0.523 234 R N 2.753 122.965 120.500 -0.481 0.000 3.610 234 R HA -0.321 4.010 4.340 -0.015 0.000 0.274 234 R C 0.109 176.274 176.300 -0.225 0.000 1.123 234 R CA 1.472 57.309 56.100 -0.438 0.000 0.747 234 R CB -1.890 27.991 30.300 -0.699 0.000 1.149 234 R HN 0.945 nan 8.270 nan 0.000 0.471 235 N N -1.328 117.291 118.700 -0.135 0.000 2.177 235 N HA 0.054 4.785 4.740 -0.015 0.000 0.218 235 N C -0.167 175.298 175.510 -0.075 0.000 1.182 235 N CA -0.295 52.707 53.050 -0.080 0.000 0.882 235 N CB 0.501 38.967 38.487 -0.035 0.000 1.052 235 N HN 0.089 nan 8.380 nan 0.000 0.519 236 N N -0.232 118.418 118.700 -0.083 0.000 2.778 236 N HA -0.138 4.592 4.740 -0.015 0.000 0.249 236 N C -0.867 174.604 175.510 -0.064 0.000 1.069 236 N CA 0.602 53.611 53.050 -0.069 0.000 0.831 236 N CB -1.351 37.096 38.487 -0.067 0.000 1.142 236 N HN 0.192 nan 8.380 nan 0.000 0.573 237 V N 1.209 121.090 119.914 -0.056 0.000 2.498 237 V HA 0.365 4.476 4.120 -0.015 0.000 0.279 237 V C 0.653 176.720 176.094 -0.045 0.000 1.048 237 V CA -0.378 61.897 62.300 -0.041 0.000 0.967 237 V CB 1.992 33.816 31.823 0.002 0.000 0.988 237 V HN -0.021 nan 8.190 nan 0.000 0.473 238 V N 5.528 125.421 119.914 -0.034 0.000 2.419 238 V HA 0.424 4.535 4.120 -0.015 0.000 0.287 238 V C -0.071 176.020 176.094 -0.005 0.000 1.017 238 V CA -0.883 61.370 62.300 -0.079 0.000 0.844 238 V CB 1.433 33.182 31.823 -0.124 0.000 1.011 238 V HN 0.842 nan 8.190 nan 0.000 0.429 239 N N 1.997 120.663 118.700 -0.057 0.000 2.405 239 N HA 0.557 5.288 4.740 -0.015 0.000 0.269 239 N C -0.038 175.450 175.510 -0.038 0.000 1.249 239 N CA -0.276 52.757 53.050 -0.029 0.000 0.974 239 N CB 1.162 39.588 38.487 -0.102 0.000 1.204 239 N HN 0.578 nan 8.380 nan 0.000 0.565 240 T N 0.740 115.279 114.554 -0.025 0.000 2.824 240 T HA 0.379 4.720 4.350 -0.015 0.000 0.282 240 T C -0.202 174.456 174.700 -0.071 0.000 0.993 240 T CA -0.509 61.646 62.100 0.092 0.000 0.967 240 T CB 1.065 70.101 68.868 0.279 0.000 0.960 240 T HN 0.294 nan 8.240 nan 0.000 0.441 241 M N 3.839 123.365 119.600 -0.124 0.000 2.088 241 M HA 0.484 4.954 4.480 -0.015 0.000 0.346 241 M C -0.387 175.763 176.300 -0.249 0.000 1.111 241 M CA -0.736 54.404 55.300 -0.267 0.000 1.017 241 M CB 0.637 33.022 32.600 -0.360 0.000 1.568 241 M HN 0.489 nan 8.290 nan 0.000 0.445 242 R N 5.965 126.209 120.500 -0.427 0.000 2.265 242 R HA 0.606 4.937 4.340 -0.015 0.000 0.328 242 R C -1.921 174.091 176.300 -0.480 0.000 0.969 242 R CA -0.421 55.380 56.100 -0.499 0.000 0.832 242 R CB 0.820 30.648 30.300 -0.786 0.000 1.139 242 R HN 0.810 nan 8.270 nan 0.000 0.457 243 L N 5.146 126.193 121.223 -0.293 0.000 2.322 243 L HA 0.494 4.825 4.340 -0.015 0.000 0.281 243 L C -0.806 176.018 176.870 -0.078 0.000 1.014 243 L CA -0.911 53.853 54.840 -0.127 0.000 0.815 243 L CB 1.466 43.539 42.059 0.025 0.000 1.247 243 L HN 0.590 nan 8.230 nan 0.000 0.421 244 W N 1.909 123.330 121.300 0.202 0.000 2.315 244 W HA 0.480 5.131 4.660 -0.015 0.000 0.316 244 W C 0.554 177.298 176.519 0.375 0.000 1.211 244 W CA -0.187 57.298 57.345 0.234 0.000 1.201 244 W CB 1.483 30.938 29.460 -0.008 0.000 1.184 244 W HN 0.345 nan 8.180 nan 0.000 0.544 245 S N 1.850 117.961 115.700 0.685 0.000 2.482 245 S HA 0.781 5.242 4.470 -0.015 0.000 0.303 245 S C -0.492 174.447 174.600 0.565 0.000 1.091 245 S CA -0.721 57.786 58.200 0.511 0.000 1.057 245 S CB 0.687 64.137 63.200 0.417 0.000 1.031 245 S HN 0.531 nan 8.310 nan 0.000 0.485 246 A N 4.701 127.687 122.820 0.276 0.000 2.366 246 A HA 0.657 4.968 4.320 -0.015 0.000 0.272 246 A C -0.147 177.494 177.584 0.095 0.000 1.135 246 A CA -0.309 51.782 52.037 0.090 0.000 0.804 246 A CB 0.376 19.155 19.000 -0.368 0.000 1.064 246 A HN 0.674 nan 8.150 nan 0.000 0.499 247 K N 1.210 121.679 120.400 0.114 0.000 2.468 247 K HA 0.583 4.894 4.320 -0.015 0.000 0.252 247 K C -0.478 176.110 176.600 -0.020 0.000 0.932 247 K CA -0.432 55.885 56.287 0.050 0.000 0.794 247 K CB 2.244 34.805 32.500 0.101 0.000 1.241 247 K HN 0.852 nan 8.250 nan 0.000 0.428 248 A N 4.401 127.146 122.820 -0.126 0.000 2.425 248 A HA 0.418 4.729 4.320 -0.015 0.000 0.249 248 A C -2.086 175.468 177.584 -0.050 0.000 1.084 248 A CA -0.927 50.969 52.037 -0.235 0.000 0.781 248 A CB -0.325 18.347 19.000 -0.546 0.000 1.019 248 A HN 0.353 nan 8.150 nan 0.000 0.490 249 P HA 0.124 nan 4.420 nan 0.000 0.272 249 P C 0.024 177.400 177.300 0.126 0.000 1.240 249 P CA -0.352 62.805 63.100 0.095 0.000 0.791 249 P CB 0.592 32.368 31.700 0.127 0.000 0.978 250 N N 0.605 119.364 118.700 0.098 0.000 2.396 250 N HA -0.120 4.611 4.740 -0.015 0.000 0.180 250 N C 0.795 176.376 175.510 0.117 0.000 1.028 250 N CA 1.037 54.145 53.050 0.097 0.000 0.893 250 N CB -0.488 38.040 38.487 0.069 0.000 0.967 250 N HN 0.527 nan 8.380 nan 0.000 0.440 251 D N -0.951 119.520 120.400 0.119 0.000 2.325 251 D HA -0.075 4.556 4.640 -0.015 0.000 0.225 251 D C -0.006 176.363 176.300 0.114 0.000 1.096 251 D CA -0.529 53.531 54.000 0.100 0.000 0.844 251 D CB -1.057 39.783 40.800 0.067 0.000 0.925 251 D HN 0.080 nan 8.370 nan 0.000 0.513 252 F N 2.012 121.973 119.950 0.019 0.000 2.602 252 F HA 0.072 4.590 4.527 -0.015 0.000 0.385 252 F C 0.838 176.641 175.800 0.004 0.000 1.063 252 F CA 0.266 58.274 58.000 0.014 0.000 1.233 252 F CB 0.180 39.188 39.000 0.013 0.000 1.067 252 F HN -0.167 nan 8.300 nan 0.000 0.564 253 N N 2.244 120.540 118.700 -0.674 0.000 2.809 253 N HA -0.289 4.442 4.740 -0.015 0.000 0.244 253 N C -0.697 174.715 175.510 -0.162 0.000 1.018 253 N CA 1.682 54.466 53.050 -0.442 0.000 0.917 253 N CB -1.222 37.037 38.487 -0.380 0.000 1.130 253 N HN 0.549 nan 8.380 nan 0.000 0.591 262 Y N 0.970 121.274 120.300 0.007 0.000 2.097 262 Y HA -0.111 4.430 4.550 -0.015 0.000 0.282 262 Y C 2.740 178.652 175.900 0.021 0.000 1.152 262 Y CA 2.446 60.554 58.100 0.013 0.000 1.136 262 Y CB -0.106 38.361 38.460 0.012 0.000 0.975 262 Y HN 0.231 nan 8.280 nan 0.000 0.498 263 I N 0.461 120.992 120.570 -0.064 0.000 2.127 263 I HA -0.327 3.834 4.170 -0.015 0.000 0.241 263 I C 2.393 178.423 176.117 -0.144 0.000 1.075 263 I CA 1.554 62.764 61.300 -0.150 0.000 1.334 263 I CB -1.481 36.527 38.000 0.014 0.000 1.040 263 I HN 0.378 nan 8.210 nan 0.000 0.405 264 Q N 0.516 120.278 119.800 -0.064 0.000 2.112 264 Q HA -0.171 4.159 4.340 -0.015 0.000 0.206 264 Q C 2.381 178.354 176.000 -0.047 0.000 0.987 264 Q CA 1.992 57.771 55.803 -0.040 0.000 0.858 264 Q CB -0.476 28.253 28.738 -0.014 0.000 0.905 264 Q HN 0.575 nan 8.270 nan 0.000 0.420 265 A N 0.008 122.781 122.820 -0.078 0.000 1.902 265 A HA -0.135 4.175 4.320 -0.015 0.000 0.217 265 A C 2.424 179.993 177.584 -0.025 0.000 1.181 265 A CA 1.654 53.657 52.037 -0.057 0.000 0.623 265 A CB -0.606 18.351 19.000 -0.072 0.000 0.818 265 A HN 0.227 nan 8.150 nan 0.000 0.443 266 V N 0.111 119.928 119.914 -0.161 0.000 2.358 266 V HA -0.219 3.892 4.120 -0.015 0.000 0.246 266 V C 2.506 178.577 176.094 -0.039 0.000 1.047 266 V CA 1.791 64.014 62.300 -0.129 0.000 1.035 266 V CB -0.746 30.904 31.823 -0.288 0.000 0.658 266 V HN 0.568 nan 8.190 nan 0.000 0.452 267 L N -0.161 121.034 121.223 -0.046 0.000 2.191 267 L HA -0.157 4.174 4.340 -0.015 0.000 0.212 267 L C 1.994 178.884 176.870 0.033 0.000 1.103 267 L CA 1.211 56.045 54.840 -0.010 0.000 0.769 267 L CB -0.650 41.401 42.059 -0.014 0.000 0.908 267 L HN 0.333 nan 8.230 nan 0.000 0.438 268 D N -0.032 120.420 120.400 0.085 0.000 2.371 268 D HA -0.072 4.559 4.640 -0.015 0.000 0.221 268 D C 2.123 178.576 176.300 0.255 0.000 0.986 268 D CA 0.450 54.557 54.000 0.178 0.000 0.899 268 D CB 0.019 40.942 40.800 0.204 0.000 0.902 268 D HN 0.221 nan 8.370 nan 0.000 0.530 269 R N 0.219 120.784 120.500 0.109 0.000 2.152 269 R HA -0.060 4.271 4.340 -0.015 0.000 0.232 269 R C 1.662 177.822 176.300 -0.232 0.000 1.117 269 R CA 0.887 56.851 56.100 -0.226 0.000 0.981 269 R CB -0.255 29.960 30.300 -0.142 0.000 0.870 269 R HN 0.351 nan 8.270 nan 0.000 0.451 270 N N 0.312 118.964 118.700 -0.079 0.000 2.205 270 N HA -0.180 4.551 4.740 -0.015 0.000 0.186 270 N C 1.211 176.685 175.510 -0.059 0.000 1.015 270 N CA 0.691 53.709 53.050 -0.053 0.000 0.862 270 N CB -0.092 38.391 38.487 -0.007 0.000 0.986 270 N HN 0.011 nan 8.380 nan 0.000 0.429 271 L N 1.161 122.363 121.223 -0.035 0.000 2.012 271 L HA -0.161 4.169 4.340 -0.015 0.000 0.210 271 L C 2.459 179.286 176.870 -0.071 0.000 1.073 271 L CA 1.499 56.336 54.840 -0.005 0.000 0.748 271 L CB -1.105 41.014 42.059 0.099 0.000 0.891 271 L HN 0.179 nan 8.230 nan 0.000 0.431 272 A N -1.018 121.682 122.820 -0.200 0.000 1.930 272 A HA -0.164 4.147 4.320 -0.015 0.000 0.217 272 A C 2.171 179.639 177.584 -0.193 0.000 1.175 272 A CA 1.373 53.270 52.037 -0.234 0.000 0.627 272 A CB -0.429 18.299 19.000 -0.453 0.000 0.815 272 A HN 0.510 nan 8.150 nan 0.000 0.443 273 E N 0.007 120.105 120.200 -0.172 0.000 2.427 273 E HA -0.075 4.266 4.350 -0.015 0.000 0.196 273 E C 1.121 177.680 176.600 -0.068 0.000 1.028 273 E CA 0.241 56.574 56.400 -0.111 0.000 0.864 273 E CB -0.110 29.544 29.700 -0.078 0.000 0.813 273 E HN 0.459 nan 8.360 nan 0.000 0.514 274 N N 1.006 119.673 118.700 -0.055 0.000 2.364 274 N HA -0.121 4.609 4.740 -0.015 0.000 0.183 274 N C 1.584 177.089 175.510 -0.009 0.000 1.022 274 N CA 0.697 53.743 53.050 -0.006 0.000 0.883 274 N CB -0.067 38.421 38.487 0.002 0.000 0.965 274 N HN 0.250 nan 8.380 nan 0.000 0.438 275 I N 0.395 120.901 120.570 -0.107 0.000 2.194 275 I HA -0.266 3.894 4.170 -0.015 0.000 0.246 275 I C 1.514 177.592 176.117 -0.066 0.000 1.093 275 I CA 1.350 62.554 61.300 -0.160 0.000 1.355 275 I CB -0.213 37.526 38.000 -0.436 0.000 1.046 275 I HN 0.144 nan 8.210 nan 0.000 0.413 276 S N -0.486 115.169 115.700 -0.075 0.000 2.582 276 S HA 0.166 4.627 4.470 -0.015 0.000 0.234 276 S C 1.508 176.234 174.600 0.210 0.000 0.961 276 S CA -0.485 57.758 58.200 0.071 0.000 0.953 276 S CB 0.193 63.423 63.200 0.050 0.000 0.800 276 S HN 0.220 nan 8.310 nan 0.000 0.471 277 R N 1.236 121.865 120.500 0.215 0.000 2.062 277 R HA 0.276 4.606 4.340 -0.015 0.000 0.229 277 R C 0.370 176.920 176.300 0.416 0.000 1.128 277 R CA 1.087 57.355 56.100 0.280 0.000 0.960 277 R CB -0.247 30.187 30.300 0.223 0.000 0.855 277 R HN 0.385 nan 8.270 nan 0.000 0.432 278 V N 0.468 120.597 119.914 0.358 0.000 2.888 278 V HA 0.359 4.470 4.120 -0.015 0.000 0.309 278 V C -1.545 174.548 176.094 -0.002 0.000 1.114 278 V CA -1.384 61.054 62.300 0.230 0.000 0.940 278 V CB 1.790 33.668 31.823 0.091 0.000 1.021 278 V HN 0.161 nan 8.190 nan 0.000 0.426 279 L N 6.958 127.945 121.223 -0.394 0.000 2.410 279 L HA 0.441 4.772 4.340 -0.015 0.000 0.273 279 L C -0.783 175.944 176.870 -0.239 0.000 1.144 279 L CA 0.455 54.859 54.840 -0.727 0.000 0.863 279 L CB 0.346 41.907 42.059 -0.829 0.000 1.140 279 L HN 0.673 nan 8.230 nan 0.000 0.463 280 Y N 7.109 127.328 120.300 -0.136 0.000 2.650 280 Y HA 0.161 4.701 4.550 -0.016 0.000 0.331 280 Y C -1.358 174.542 175.900 -0.001 0.000 1.165 280 Y CA -1.121 56.971 58.100 -0.013 0.000 1.473 280 Y CB 0.260 38.738 38.460 0.030 0.000 1.224 280 Y HN 0.573 nan 8.280 nan 0.000 0.533 281 P HA 0.044 nan 4.420 nan 0.000 0.249 281 P C -0.906 176.534 177.300 0.234 0.000 1.544 281 P CA 0.086 63.300 63.100 0.189 0.000 0.932 281 P CB 0.146 32.042 31.700 0.327 0.000 1.524 282 N N 1.250 120.094 118.700 0.240 0.000 2.426 282 N HA 0.158 4.889 4.740 -0.015 0.000 0.275 282 N C -0.689 174.975 175.510 0.256 0.000 1.019 282 N CA -0.016 53.200 53.050 0.276 0.000 0.941 282 N CB 1.216 39.915 38.487 0.354 0.000 1.123 282 N HN 0.055 nan 8.380 nan 0.000 0.486 283 D N 1.099 121.671 120.400 0.286 0.000 2.274 283 D HA 0.183 4.813 4.640 -0.015 0.000 0.239 283 D C -0.047 176.475 176.300 0.370 0.000 1.104 283 D CA -0.241 53.930 54.000 0.285 0.000 0.840 283 D CB 0.274 41.237 40.800 0.272 0.000 1.100 283 D HN 0.312 nan 8.370 nan 0.000 0.477 284 N N 2.833 121.717 118.700 0.307 0.000 2.727 284 N HA -0.255 4.475 4.740 -0.015 0.000 0.249 284 N C -1.341 174.415 175.510 0.411 0.000 1.048 284 N CA 0.716 53.944 53.050 0.296 0.000 0.714 284 N CB -0.822 37.808 38.487 0.239 0.000 0.959 284 N HN 0.384 nan 8.380 nan 0.000 0.544 285 F N 0.537 120.600 119.950 0.187 0.000 2.622 285 F HA 0.416 4.934 4.527 -0.016 0.000 0.318 285 F C -1.297 174.590 175.800 0.145 0.000 1.135 285 F CA -1.085 57.003 58.000 0.148 0.000 1.015 285 F CB 0.922 39.974 39.000 0.088 0.000 1.275 285 F HN -0.023 nan 8.300 nan 0.000 0.457 286 F N 6.054 125.579 119.950 -0.709 0.000 2.411 286 F HA 0.470 4.987 4.527 -0.015 0.000 0.355 286 F C -0.434 174.922 175.800 -0.739 0.000 1.117 286 F CA -0.136 57.514 58.000 -0.585 0.000 1.139 286 F CB 0.710 39.419 39.000 -0.484 0.000 1.120 286 F HN 0.582 nan 8.300 nan 0.000 0.493 287 E N 4.140 123.733 120.200 -1.012 0.000 2.155 287 E HA 0.315 4.655 4.350 -0.015 0.000 0.264 287 E C -0.203 175.676 176.600 -1.202 0.000 0.886 287 E CA -0.769 55.120 56.400 -0.851 0.000 0.752 287 E CB 1.423 31.002 29.700 -0.202 0.000 1.133 287 E HN 0.916 nan 8.360 nan 0.000 0.414 288 G N 5.239 113.300 108.800 -1.232 0.000 3.458 288 G HA2 0.070 4.020 3.960 -0.015 0.000 0.256 288 G HA3 0.070 4.020 3.960 -0.015 0.000 0.256 288 G C -0.112 174.715 174.900 -0.122 0.000 0.938 288 G CA -0.243 44.298 45.100 -0.931 0.000 1.890 288 G HN 0.195 nan 8.290 nan 0.000 0.639 289 K N 0.435 120.844 120.400 0.014 0.000 2.138 289 K HA 0.217 4.528 4.320 -0.015 0.000 0.263 289 K C 0.863 177.611 176.600 0.246 0.000 0.965 289 K CA -0.712 55.665 56.287 0.150 0.000 0.868 289 K CB 2.392 34.980 32.500 0.146 0.000 1.083 289 K HN 0.393 nan 8.250 nan 0.000 0.443 290 E N 1.517 121.822 120.200 0.176 0.000 2.085 290 E HA -0.219 4.122 4.350 -0.015 0.000 0.194 290 E C 1.557 178.187 176.600 0.050 0.000 0.994 290 E CA 1.128 57.579 56.400 0.086 0.000 0.801 290 E CB 0.166 29.918 29.700 0.086 0.000 0.743 290 E HN 0.397 nan 8.360 nan 0.000 0.453 291 L N 1.360 122.657 121.223 0.124 0.000 2.042 291 L HA -0.196 4.135 4.340 -0.015 0.000 0.210 291 L C 2.476 179.444 176.870 0.164 0.000 1.076 291 L CA 1.874 56.806 54.840 0.154 0.000 0.749 291 L CB -0.557 41.660 42.059 0.264 0.000 0.893 291 L HN 0.013 nan 8.230 nan 0.000 0.432 292 R N -0.619 119.929 120.500 0.080 0.000 2.081 292 R HA -0.168 4.163 4.340 -0.015 0.000 0.235 292 R C 2.123 178.464 176.300 0.068 0.000 1.131 292 R CA 1.895 57.959 56.100 -0.060 0.000 0.960 292 R CB -1.048 29.000 30.300 -0.420 0.000 0.856 292 R HN 0.413 nan 8.270 nan 0.000 0.436 293 L N 0.899 122.080 121.223 -0.068 0.000 2.046 293 L HA -0.082 4.249 4.340 -0.015 0.000 0.208 293 L C 1.735 178.547 176.870 -0.096 0.000 1.077 293 L CA 1.920 56.519 54.840 -0.402 0.000 0.747 293 L CB -0.441 41.069 42.059 -0.916 0.000 0.896 293 L HN 0.161 nan 8.230 nan 0.000 0.432 294 K N -1.013 119.375 120.400 -0.021 0.000 2.057 294 K HA -0.200 4.111 4.320 -0.015 0.000 0.207 294 K C 2.104 178.863 176.600 0.265 0.000 1.049 294 K CA 1.775 58.116 56.287 0.090 0.000 0.931 294 K CB -0.172 32.205 32.500 -0.205 0.000 0.714 294 K HN 0.506 nan 8.250 nan 0.000 0.440 295 Q N 0.543 120.468 119.800 0.208 0.000 2.084 295 Q HA -0.190 4.140 4.340 -0.015 0.000 0.202 295 Q C 1.932 178.131 176.000 0.333 0.000 0.978 295 Q CA 1.453 57.436 55.803 0.300 0.000 0.844 295 Q CB 0.001 28.934 28.738 0.324 0.000 0.898 295 Q HN 0.385 nan 8.270 nan 0.000 0.426 296 E N -0.254 120.096 120.200 0.248 0.000 2.077 296 E HA -0.209 4.132 4.350 -0.015 0.000 0.193 296 E C 1.727 178.443 176.600 0.192 0.000 0.989 296 E CA 1.020 57.549 56.400 0.215 0.000 0.800 296 E CB -0.129 29.676 29.700 0.176 0.000 0.746 296 E HN 0.325 nan 8.360 nan 0.000 0.452 297 Y N 0.446 120.793 120.300 0.078 0.000 2.220 297 Y HA -0.205 4.335 4.550 -0.015 0.000 0.291 297 Y C 1.984 177.916 175.900 0.054 0.000 1.129 297 Y CA 1.016 59.116 58.100 0.001 0.000 1.161 297 Y CB -0.391 38.034 38.460 -0.059 0.000 0.997 297 Y HN 0.007 nan 8.280 nan 0.000 0.522 298 F N -0.214 119.742 119.950 0.009 0.000 2.063 298 F HA -0.282 4.236 4.527 -0.015 0.000 0.298 298 F C 2.511 178.168 175.800 -0.239 0.000 1.109 298 F CA 2.109 60.063 58.000 -0.077 0.000 1.212 298 F CB -1.121 37.981 39.000 0.170 0.000 0.973 298 F HN -0.046 nan 8.300 nan 0.000 0.480 299 V N -0.503 119.369 119.914 -0.071 0.000 2.407 299 V HA -0.208 3.903 4.120 -0.015 0.000 0.248 299 V C 2.189 178.129 176.094 -0.258 0.000 1.055 299 V CA 1.965 64.191 62.300 -0.124 0.000 1.049 299 V CB -0.385 31.563 31.823 0.207 0.000 0.662 299 V HN 0.267 nan 8.190 nan 0.000 0.455 300 V N 0.322 120.089 119.914 -0.244 0.000 2.307 300 V HA -0.143 3.968 4.120 -0.015 0.000 0.245 300 V C 2.784 178.613 176.094 -0.442 0.000 1.045 300 V CA 2.035 64.178 62.300 -0.262 0.000 1.024 300 V CB -0.965 30.767 31.823 -0.152 0.000 0.651 300 V HN 0.641 nan 8.190 nan 0.000 0.449 301 A N -0.130 122.252 122.820 -0.730 0.000 1.873 301 A HA -0.078 4.233 4.320 -0.015 0.000 0.215 301 A C 2.401 179.610 177.584 -0.624 0.000 1.186 301 A CA 2.017 53.618 52.037 -0.726 0.000 0.616 301 A CB -0.793 17.557 19.000 -1.084 0.000 0.823 301 A HN 0.550 nan 8.150 nan 0.000 0.442 302 A N -1.016 121.274 122.820 -0.883 0.000 1.898 302 A HA -0.063 4.247 4.320 -0.015 0.000 0.216 302 A C 2.311 179.396 177.584 -0.833 0.000 1.181 302 A CA 2.275 53.611 52.037 -1.169 0.000 0.620 302 A CB -1.283 16.375 19.000 -2.236 0.000 0.819 302 A HN 0.424 nan 8.150 nan 0.000 0.442 303 T N 0.476 114.670 114.554 -0.599 0.000 2.708 303 T HA -0.109 4.231 4.350 -0.015 0.000 0.266 303 T C 1.835 176.261 174.700 -0.456 0.000 1.037 303 T CA 1.490 63.345 62.100 -0.409 0.000 1.146 303 T CB -0.395 68.239 68.868 -0.391 0.000 0.865 303 T HN 0.339 nan 8.240 nan 0.000 0.435 304 L N 0.680 121.684 121.223 -0.364 0.000 2.083 304 L HA -0.163 4.168 4.340 -0.015 0.000 0.209 304 L C 2.943 179.697 176.870 -0.194 0.000 1.083 304 L CA 1.397 56.078 54.840 -0.266 0.000 0.752 304 L CB -0.513 41.431 42.059 -0.191 0.000 0.899 304 L HN 0.362 nan 8.230 nan 0.000 0.433 305 Q N -0.551 119.132 119.800 -0.194 0.000 2.096 305 Q HA -0.264 4.067 4.340 -0.015 0.000 0.204 305 Q C 1.780 177.747 176.000 -0.056 0.000 0.982 305 Q CA 1.851 57.590 55.803 -0.107 0.000 0.850 305 Q CB -0.117 28.544 28.738 -0.127 0.000 0.901 305 Q HN 0.414 nan 8.270 nan 0.000 0.422 306 D N 0.424 120.779 120.400 -0.075 0.000 2.117 306 D HA -0.102 4.529 4.640 -0.015 0.000 0.198 306 D C 1.688 177.933 176.300 -0.091 0.000 0.982 306 D CA 0.854 54.858 54.000 0.007 0.000 0.828 306 D CB -0.047 40.856 40.800 0.170 0.000 0.967 306 D HN 0.152 nan 8.370 nan 0.000 0.464 307 I N 0.165 120.569 120.570 -0.277 0.000 2.127 307 I HA -0.269 3.891 4.170 -0.015 0.000 0.241 307 I C 2.307 178.433 176.117 0.016 0.000 1.075 307 I CA 0.889 61.975 61.300 -0.357 0.000 1.334 307 I CB -0.191 37.458 38.000 -0.584 0.000 1.040 307 I HN 0.053 nan 8.210 nan 0.000 0.405 308 I N 0.031 120.662 120.570 0.102 0.000 2.252 308 I HA -0.276 3.884 4.170 -0.015 0.000 0.245 308 I C 2.770 179.045 176.117 0.263 0.000 1.102 308 I CA 1.100 62.571 61.300 0.285 0.000 1.385 308 I CB -0.420 37.700 38.000 0.200 0.000 1.064 308 I HN 0.169 nan 8.210 nan 0.000 0.414 309 R N 1.111 121.697 120.500 0.143 0.000 2.094 309 R HA -0.233 4.098 4.340 -0.015 0.000 0.239 309 R C 2.516 178.888 176.300 0.119 0.000 1.137 309 R CA 1.844 58.015 56.100 0.118 0.000 0.943 309 R CB -0.255 30.098 30.300 0.088 0.000 0.850 309 R HN 0.214 nan 8.270 nan 0.000 0.433 310 R N -0.646 119.921 120.500 0.112 0.000 2.120 310 R HA -0.163 4.168 4.340 -0.015 0.000 0.234 310 R C 2.159 178.554 176.300 0.159 0.000 1.123 310 R CA 1.616 57.785 56.100 0.115 0.000 0.975 310 R CB -0.327 30.026 30.300 0.088 0.000 0.866 310 R HN 0.277 nan 8.270 nan 0.000 0.446 311 F N 1.346 121.335 119.950 0.065 0.000 2.186 311 F HA -0.085 4.433 4.527 -0.016 0.000 0.299 311 F C 1.659 177.472 175.800 0.022 0.000 1.090 311 F CA 1.466 59.501 58.000 0.057 0.000 1.307 311 F CB 0.060 39.149 39.000 0.149 0.000 1.019 311 F HN -0.149 nan 8.300 nan 0.000 0.489 312 K N -0.348 120.019 120.400 -0.055 0.000 2.217 312 K HA 0.001 4.312 4.320 -0.015 0.000 0.202 312 K C 1.217 177.732 176.600 -0.142 0.000 1.051 312 K CA 1.082 57.264 56.287 -0.176 0.000 0.952 312 K CB -0.168 32.337 32.500 0.008 0.000 0.736 312 K HN 0.090 nan 8.250 nan 0.000 0.453 313 S N 1.256 116.929 115.700 -0.045 0.000 2.667 313 S HA 0.139 4.599 4.470 -0.015 0.000 0.251 313 S C -0.064 174.558 174.600 0.036 0.000 1.075 313 S CA -0.337 57.878 58.200 0.026 0.000 1.130 313 S CB 0.288 63.543 63.200 0.092 0.000 0.795 313 S HN 0.100 nan 8.310 nan 0.000 0.462 325 N N 0.738 119.410 118.700 -0.046 0.000 2.462 325 N HA 0.311 5.042 4.740 -0.015 0.000 0.242 325 N C -0.624 174.932 175.510 0.077 0.000 1.010 325 N CA -0.169 52.914 53.050 0.055 0.000 0.939 325 N CB 0.400 38.918 38.487 0.051 0.000 1.127 325 N HN 0.129 nan 8.380 nan 0.000 0.509 326 F N 1.890 121.942 119.950 0.170 0.000 2.797 326 F HA 0.116 4.633 4.527 -0.015 0.000 0.302 326 F C 1.343 177.208 175.800 0.108 0.000 1.130 326 F CA -0.112 57.965 58.000 0.129 0.000 1.387 326 F CB 0.394 39.357 39.000 -0.062 0.000 1.107 326 F HN 0.468 nan 8.300 nan 0.000 0.577 327 D N 0.458 120.997 120.400 0.231 0.000 2.178 327 D HA -0.159 4.472 4.640 -0.015 0.000 0.201 327 D C 2.202 178.594 176.300 0.153 0.000 0.980 327 D CA 1.242 55.337 54.000 0.157 0.000 0.842 327 D CB -0.161 40.707 40.800 0.113 0.000 0.948 327 D HN 0.225 nan 8.370 nan 0.000 0.472 328 A N -0.726 122.211 122.820 0.195 0.000 2.251 328 A HA 0.075 4.386 4.320 -0.015 0.000 0.209 328 A C 1.651 179.353 177.584 0.197 0.000 1.187 328 A CA -0.188 51.964 52.037 0.192 0.000 0.823 328 A CB -0.806 18.317 19.000 0.205 0.000 0.846 328 A HN 0.217 nan 8.150 nan 0.000 0.486 329 F N 1.855 121.767 119.950 -0.064 0.000 2.065 329 F HA -0.149 4.369 4.527 -0.015 0.000 0.298 329 F C -0.736 174.953 175.800 -0.186 0.000 1.112 329 F CA 2.576 60.329 58.000 -0.412 0.000 1.212 329 F CB -0.559 38.203 39.000 -0.396 0.000 0.975 329 F HN 0.202 nan 8.300 nan 0.000 0.476 330 P HA -0.098 nan 4.420 nan 0.000 0.226 330 P C 0.722 177.972 177.300 -0.084 0.000 1.153 330 P CA 1.442 64.500 63.100 -0.071 0.000 0.777 330 P CB -0.083 31.609 31.700 -0.012 0.000 0.794 331 D N -0.706 119.669 120.400 -0.041 0.000 2.317 331 D HA -0.045 4.586 4.640 -0.015 0.000 0.211 331 D C 1.490 177.773 176.300 -0.029 0.000 0.966 331 D CA 0.943 54.933 54.000 -0.017 0.000 0.876 331 D CB 0.102 40.915 40.800 0.021 0.000 0.927 331 D HN 0.160 nan 8.370 nan 0.000 0.519 332 K N -0.001 120.359 120.400 -0.068 0.000 2.380 332 K HA 0.206 4.517 4.320 -0.015 0.000 0.198 332 K C -0.064 176.448 176.600 -0.146 0.000 1.070 332 K CA 0.077 56.338 56.287 -0.044 0.000 1.040 332 K CB 2.327 34.912 32.500 0.141 0.000 0.903 332 K HN -0.063 nan 8.250 nan 0.000 0.549 333 V N 1.101 120.834 119.914 -0.302 0.000 2.623 333 V HA 0.598 4.709 4.120 -0.015 0.000 0.304 333 V C -1.018 174.970 176.094 -0.176 0.000 1.054 333 V CA -1.279 60.837 62.300 -0.306 0.000 0.882 333 V CB 1.778 33.119 31.823 -0.803 0.000 1.002 333 V HN 0.113 nan 8.190 nan 0.000 0.424 334 A N 5.750 128.519 122.820 -0.085 0.000 2.343 334 A HA 0.933 5.243 4.320 -0.015 0.000 0.316 334 A C -0.925 176.676 177.584 0.028 0.000 1.104 334 A CA -0.503 51.520 52.037 -0.024 0.000 0.768 334 A CB 0.975 19.920 19.000 -0.093 0.000 1.213 334 A HN 0.778 nan 8.150 nan 0.000 0.456 335 I N 1.824 122.456 120.570 0.104 0.000 2.382 335 I HA 0.293 4.454 4.170 -0.015 0.000 0.286 335 I C -0.313 175.894 176.117 0.150 0.000 1.002 335 I CA -0.521 60.855 61.300 0.126 0.000 1.135 335 I CB 1.917 39.974 38.000 0.094 0.000 1.288 335 I HN 0.692 nan 8.210 nan 0.000 0.448 336 Q N 6.755 126.644 119.800 0.149 0.000 2.314 336 Q HA 0.511 4.842 4.340 -0.015 0.000 0.259 336 Q C -1.319 174.681 176.000 0.001 0.000 0.951 336 Q CA -0.257 55.661 55.803 0.192 0.000 0.909 336 Q CB 1.316 30.286 28.738 0.387 0.000 1.236 336 Q HN 0.568 nan 8.270 nan 0.000 0.444 337 L N 3.779 125.037 121.223 0.060 0.000 2.261 337 L HA 0.395 4.726 4.340 -0.015 0.000 0.289 337 L C 0.073 176.961 176.870 0.029 0.000 1.059 337 L CA -0.750 54.111 54.840 0.037 0.000 0.816 337 L CB 0.665 42.792 42.059 0.114 0.000 1.191 337 L HN 0.562 nan 8.230 nan 0.000 0.431 338 N N 3.537 122.170 118.700 -0.111 0.000 2.466 338 N HA 0.076 4.807 4.740 -0.015 0.000 0.263 338 N C -0.138 175.368 175.510 -0.007 0.000 1.178 338 N CA 0.469 53.499 53.050 -0.034 0.000 0.983 338 N CB -0.150 38.226 38.487 -0.185 0.000 1.331 338 N HN 0.699 nan 8.380 nan 0.000 0.500 339 D N -0.509 119.996 120.400 0.174 0.000 3.841 339 D HA -0.257 4.373 4.640 -0.015 0.000 0.276 339 D C 0.444 176.824 176.300 0.134 0.000 2.088 339 D CA 2.080 56.172 54.000 0.154 0.000 1.152 339 D CB -0.387 40.290 40.800 -0.204 0.000 0.944 339 D HN 0.507 nan 8.370 nan 0.000 1.144 340 T N -3.221 111.346 114.554 0.022 0.000 3.129 340 T HA 0.098 4.438 4.350 -0.015 0.000 0.251 340 T C 1.430 176.186 174.700 0.093 0.000 1.117 340 T CA 1.407 63.507 62.100 -0.001 0.000 1.034 340 T CB -0.496 68.345 68.868 -0.045 0.000 0.968 340 T HN 0.521 nan 8.240 nan 0.000 0.526 341 H N 2.639 121.788 119.070 0.133 0.000 2.352 341 H HA 0.001 4.548 4.556 -0.015 0.000 0.299 341 H C -0.894 174.517 175.328 0.138 0.000 1.097 341 H CA 0.950 57.092 56.048 0.156 0.000 1.311 341 H CB -1.002 28.856 29.762 0.158 0.000 1.377 341 H HN 0.437 nan 8.280 nan 0.000 0.504 342 P HA 0.079 nan 4.420 nan 0.000 0.254 342 P C 0.677 178.015 177.300 0.063 0.000 1.620 342 P CA 0.322 63.495 63.100 0.121 0.000 1.050 342 P CB 0.288 32.047 31.700 0.098 0.000 1.539 343 S N -0.395 115.336 115.700 0.051 0.000 2.442 343 S HA -0.115 4.346 4.470 -0.015 0.000 0.236 343 S C 1.720 176.317 174.600 -0.005 0.000 1.007 343 S CA 0.723 58.915 58.200 -0.014 0.000 0.965 343 S CB -1.412 61.754 63.200 -0.055 0.000 0.773 343 S HN 0.155 nan 8.310 nan 0.000 0.504 344 L N 0.980 122.214 121.223 0.018 0.000 2.456 344 L HA 0.033 4.364 4.340 -0.015 0.000 0.224 344 L C 2.931 179.827 176.870 0.043 0.000 1.148 344 L CA 0.615 55.465 54.840 0.018 0.000 0.825 344 L CB -0.751 41.316 42.059 0.014 0.000 0.937 344 L HN 0.469 nan 8.230 nan 0.000 0.450 345 A N 0.611 123.441 122.820 0.016 0.000 1.978 345 A HA -0.214 4.097 4.320 -0.015 0.000 0.220 345 A C 2.176 179.759 177.584 -0.003 0.000 1.170 345 A CA 1.587 53.622 52.037 -0.004 0.000 0.636 345 A CB -0.489 18.501 19.000 -0.017 0.000 0.810 345 A HN 0.377 nan 8.150 nan 0.000 0.448 346 I N 0.242 120.811 120.570 -0.001 0.000 2.090 346 I HA -0.146 4.015 4.170 -0.015 0.000 0.236 346 I C -0.341 175.796 176.117 0.034 0.000 1.064 346 I CA 1.607 62.907 61.300 -0.001 0.000 1.324 346 I CB -1.003 36.996 38.000 -0.002 0.000 1.044 346 I HN 0.246 nan 8.210 nan 0.000 0.399 347 P HA -0.158 nan 4.420 nan 0.000 0.223 347 P C 1.251 178.593 177.300 0.070 0.000 1.151 347 P CA 1.431 64.573 63.100 0.070 0.000 0.787 347 P CB 0.042 31.800 31.700 0.097 0.000 0.788 348 E N 0.311 120.607 120.200 0.161 0.000 2.072 348 E HA -0.148 4.193 4.350 -0.015 0.000 0.191 348 E C 1.913 178.508 176.600 -0.007 0.000 0.985 348 E CA 0.651 57.158 56.400 0.177 0.000 0.801 348 E CB -1.209 28.634 29.700 0.239 0.000 0.750 348 E HN -0.011 nan 8.360 nan 0.000 0.452 349 L N 0.034 121.223 121.223 -0.058 0.000 2.046 349 L HA -0.119 4.211 4.340 -0.015 0.000 0.208 349 L C 2.081 178.822 176.870 -0.215 0.000 1.077 349 L CA 1.807 56.557 54.840 -0.150 0.000 0.747 349 L CB -0.621 41.354 42.059 -0.140 0.000 0.896 349 L HN 0.239 nan 8.230 nan 0.000 0.432 350 M N -0.764 118.723 119.600 -0.188 0.000 2.080 350 M HA -0.229 4.242 4.480 -0.015 0.000 0.260 350 M C 2.431 178.573 176.300 -0.263 0.000 1.068 350 M CA 1.635 56.769 55.300 -0.276 0.000 1.109 350 M CB -1.248 31.173 32.600 -0.299 0.000 1.342 350 M HN 0.341 nan 8.290 nan 0.000 0.405 351 R N 0.106 120.480 120.500 -0.210 0.000 2.094 351 R HA -0.153 4.178 4.340 -0.015 0.000 0.239 351 R C 2.088 178.287 176.300 -0.169 0.000 1.137 351 R CA 1.946 57.923 56.100 -0.206 0.000 0.943 351 R CB -0.291 29.838 30.300 -0.284 0.000 0.850 351 R HN 0.214 nan 8.270 nan 0.000 0.433 352 V N 1.534 121.349 119.914 -0.165 0.000 2.255 352 V HA -0.276 3.835 4.120 -0.015 0.000 0.247 352 V C 2.454 178.389 176.094 -0.265 0.000 1.051 352 V CA 1.921 64.115 62.300 -0.177 0.000 1.018 352 V CB -0.468 31.251 31.823 -0.174 0.000 0.641 352 V HN 0.358 nan 8.190 nan 0.000 0.445 353 L N -0.612 120.391 121.223 -0.366 0.000 2.046 353 L HA -0.141 4.189 4.340 -0.015 0.000 0.208 353 L C 2.383 179.066 176.870 -0.310 0.000 1.077 353 L CA 1.140 55.695 54.840 -0.475 0.000 0.747 353 L CB -0.627 41.109 42.059 -0.539 0.000 0.896 353 L HN 0.217 nan 8.230 nan 0.000 0.432 354 V N -0.638 119.139 119.914 -0.230 0.000 2.331 354 V HA -0.167 3.944 4.120 -0.015 0.000 0.242 354 V C 1.898 177.946 176.094 -0.077 0.000 1.034 354 V CA 1.644 63.870 62.300 -0.124 0.000 1.027 354 V CB -0.308 31.472 31.823 -0.072 0.000 0.667 354 V HN 0.338 nan 8.190 nan 0.000 0.457 355 D N -0.190 120.159 120.400 -0.085 0.000 2.194 355 D HA 0.028 4.659 4.640 -0.015 0.000 0.204 355 D C 1.936 178.205 176.300 -0.052 0.000 0.964 355 D CA 1.058 55.025 54.000 -0.055 0.000 0.846 355 D CB 0.198 40.963 40.800 -0.058 0.000 0.962 355 D HN 0.343 nan 8.370 nan 0.000 0.490 356 L N -0.049 121.127 121.223 -0.077 0.000 2.467 356 L HA 0.163 4.494 4.340 -0.015 0.000 0.213 356 L C 1.716 178.551 176.870 -0.058 0.000 1.053 356 L CA 0.334 55.140 54.840 -0.058 0.000 0.847 356 L CB 0.209 42.236 42.059 -0.054 0.000 1.075 356 L HN -0.217 nan 8.230 nan 0.000 0.479 357 E N 0.501 120.631 120.200 -0.117 0.000 2.474 357 E HA 0.063 4.404 4.350 -0.015 0.000 0.194 357 E C 0.061 176.618 176.600 -0.072 0.000 1.041 357 E CA -0.054 56.282 56.400 -0.107 0.000 0.874 357 E CB 0.410 29.927 29.700 -0.306 0.000 0.914 357 E HN 0.191 nan 8.360 nan 0.000 0.498 358 R N -0.157 120.299 120.500 -0.074 0.000 3.656 358 R HA -0.184 4.146 4.340 -0.015 0.000 0.297 358 R C -0.314 175.968 176.300 -0.030 0.000 1.166 358 R CA 0.245 56.325 56.100 -0.033 0.000 0.799 358 R CB -2.806 27.493 30.300 -0.001 0.000 1.285 358 R HN 0.075 nan 8.270 nan 0.000 0.477 359 L N 2.351 123.526 121.223 -0.080 0.000 2.436 359 L HA 0.151 4.481 4.340 -0.015 0.000 0.265 359 L C 1.456 178.316 176.870 -0.017 0.000 1.168 359 L CA 0.128 54.931 54.840 -0.061 0.000 0.815 359 L CB 0.416 42.388 42.059 -0.144 0.000 1.109 359 L HN 0.148 nan 8.230 nan 0.000 0.462 360 D N 1.036 121.451 120.400 0.026 0.000 2.357 360 D HA -0.133 4.498 4.640 -0.015 0.000 0.242 360 D C 0.960 177.328 176.300 0.113 0.000 1.153 360 D CA -0.514 53.537 54.000 0.085 0.000 0.918 360 D CB 0.728 41.583 40.800 0.092 0.000 1.181 360 D HN 0.604 nan 8.370 nan 0.000 0.435 361 W N 1.907 123.209 121.300 0.004 0.000 2.315 361 W HA -0.240 4.411 4.660 -0.015 0.000 0.323 361 W C 1.093 177.655 176.519 0.071 0.000 1.233 361 W CA 1.976 59.330 57.345 0.015 0.000 1.267 361 W CB -0.326 29.124 29.460 -0.017 0.000 1.160 361 W HN 0.453 nan 8.180 nan 0.000 0.474 362 D N 0.264 120.865 120.400 0.335 0.000 2.149 362 D HA -0.211 4.420 4.640 -0.015 0.000 0.198 362 D C 1.874 178.278 176.300 0.174 0.000 0.990 362 D CA 2.007 56.176 54.000 0.280 0.000 0.839 362 D CB -0.429 40.505 40.800 0.225 0.000 0.948 362 D HN 0.083 nan 8.370 nan 0.000 0.460 363 K N 1.049 121.509 120.400 0.100 0.000 2.062 363 K HA 0.048 4.359 4.320 -0.015 0.000 0.205 363 K C 1.837 178.431 176.600 -0.011 0.000 1.051 363 K CA 1.390 57.708 56.287 0.051 0.000 0.941 363 K CB -0.552 31.973 32.500 0.042 0.000 0.719 363 K HN -0.007 nan 8.250 nan 0.000 0.440 364 A N 0.709 123.478 122.820 -0.085 0.000 1.908 364 A HA -0.196 4.114 4.320 -0.015 0.000 0.218 364 A C 2.255 179.749 177.584 -0.150 0.000 1.181 364 A CA 1.557 53.476 52.037 -0.196 0.000 0.627 364 A CB -1.230 17.583 19.000 -0.312 0.000 0.818 364 A HN 0.701 nan 8.150 nan 0.000 0.445 365 W N 0.626 121.723 121.300 -0.338 0.000 2.358 365 W HA -0.181 4.470 4.660 -0.015 0.000 0.303 365 W C 2.021 178.486 176.519 -0.091 0.000 1.208 365 W CA 1.828 59.025 57.345 -0.247 0.000 1.274 365 W CB -0.152 29.198 29.460 -0.184 0.000 1.138 365 W HN 0.630 nan 8.180 nan 0.000 0.515 366 E N 0.169 120.365 120.200 -0.006 0.000 2.058 366 E HA -0.245 4.096 4.350 -0.015 0.000 0.194 366 E C 2.020 178.548 176.600 -0.119 0.000 0.997 366 E CA 2.198 58.559 56.400 -0.066 0.000 0.801 366 E CB -0.392 29.325 29.700 0.029 0.000 0.746 366 E HN 0.057 nan 8.360 nan 0.000 0.450 367 V N 0.741 120.602 119.914 -0.088 0.000 2.295 367 V HA -0.269 3.842 4.120 -0.015 0.000 0.246 367 V C 2.422 178.464 176.094 -0.087 0.000 1.049 367 V CA 2.218 64.488 62.300 -0.051 0.000 1.024 367 V CB -0.833 30.958 31.823 -0.054 0.000 0.648 367 V HN 0.410 nan 8.190 nan 0.000 0.447 368 T N 0.074 114.506 114.554 -0.204 0.000 2.652 368 T HA -0.197 4.144 4.350 -0.015 0.000 0.267 368 T C 1.949 176.478 174.700 -0.285 0.000 1.039 368 T CA 1.839 63.791 62.100 -0.246 0.000 1.153 368 T CB -0.350 68.318 68.868 -0.334 0.000 0.863 368 T HN 0.267 nan 8.240 nan 0.000 0.428 369 V N 1.469 121.092 119.914 -0.484 0.000 2.287 369 V HA -0.199 3.911 4.120 -0.015 0.000 0.248 369 V C 2.383 178.429 176.094 -0.080 0.000 1.053 369 V CA 1.707 63.775 62.300 -0.387 0.000 1.027 369 V CB -0.508 31.003 31.823 -0.519 0.000 0.646 369 V HN 0.477 nan 8.190 nan 0.000 0.447 370 K N -0.559 119.782 120.400 -0.097 0.000 2.283 370 K HA -0.095 4.215 4.320 -0.015 0.000 0.202 370 K C 2.068 178.646 176.600 -0.038 0.000 1.048 370 K CA 1.540 57.758 56.287 -0.115 0.000 0.948 370 K CB -0.209 32.221 32.500 -0.118 0.000 0.742 370 K HN 0.483 nan 8.250 nan 0.000 0.458 371 T N 0.145 114.730 114.554 0.052 0.000 2.976 371 T HA 0.022 4.363 4.350 -0.015 0.000 0.257 371 T C 0.899 175.702 174.700 0.173 0.000 1.051 371 T CA 0.384 62.545 62.100 0.102 0.000 1.141 371 T CB 0.117 69.074 68.868 0.150 0.000 0.881 371 T HN 0.165 nan 8.240 nan 0.000 0.461 372 C N 2.344 121.730 119.300 0.144 0.000 2.365 372 C HA 0.886 5.337 4.460 -0.015 0.000 0.351 372 C C 0.576 175.615 174.990 0.081 0.000 1.240 372 C CA -1.205 57.874 59.018 0.102 0.000 2.062 372 C CB 0.140 27.882 27.740 0.003 0.000 2.387 372 C HN 0.592 nan 8.230 nan 0.000 0.537 373 A N 2.080 124.945 122.820 0.076 0.000 2.515 373 A HA 0.781 5.091 4.320 -0.015 0.000 0.298 373 A C -1.589 176.066 177.584 0.120 0.000 1.059 373 A CA -0.430 51.604 52.037 -0.005 0.000 0.698 373 A CB 1.100 20.095 19.000 -0.008 0.000 1.289 373 A HN 0.954 nan 8.150 nan 0.000 0.404 374 Y N 0.964 121.214 120.300 -0.082 0.000 2.391 374 Y HA 0.641 5.182 4.550 -0.015 0.000 0.341 374 Y C -0.615 175.266 175.900 -0.031 0.000 0.965 374 Y CA -0.319 57.743 58.100 -0.064 0.000 1.067 374 Y CB 2.107 40.484 38.460 -0.138 0.000 1.199 374 Y HN 0.573 nan 8.280 nan 0.000 0.450 375 T N 6.554 120.896 114.554 -0.353 0.000 2.770 375 T HA 0.198 4.538 4.350 -0.015 0.000 0.283 375 T C -0.813 173.451 174.700 -0.727 0.000 0.988 375 T CA -0.803 61.030 62.100 -0.446 0.000 0.957 375 T CB 0.479 69.318 68.868 -0.050 0.000 0.930 375 T HN 0.657 nan 8.240 nan 0.000 0.443 376 N N 1.771 120.029 118.700 -0.735 0.000 2.498 376 N HA 0.145 4.876 4.740 -0.015 0.000 0.287 376 N C -0.057 175.324 175.510 -0.214 0.000 1.097 376 N CA -0.330 52.525 53.050 -0.326 0.000 0.973 376 N CB 0.802 39.260 38.487 -0.048 0.000 1.153 376 N HN 0.677 nan 8.380 nan 0.000 0.472 377 H N 0.843 119.945 119.070 0.053 0.000 2.923 377 H HA 0.174 4.721 4.556 -0.016 0.000 0.268 377 H C -0.298 174.962 175.328 -0.113 0.000 1.148 377 H CA -0.075 55.953 56.048 -0.033 0.000 1.146 377 H CB 1.117 30.869 29.762 -0.016 0.000 1.607 377 H HN 0.527 nan 8.280 nan 0.000 0.566 378 T N 0.352 114.939 114.554 0.054 0.000 2.893 378 T HA 0.222 4.563 4.350 -0.015 0.000 0.337 378 T C 0.351 175.077 174.700 0.043 0.000 1.587 378 T CA -0.368 61.718 62.100 -0.024 0.000 1.066 378 T CB 1.346 70.204 68.868 -0.017 0.000 1.414 378 T HN -0.028 nan 8.240 nan 0.000 0.488 379 V N 1.879 121.777 119.914 -0.027 0.000 3.528 379 V HA 0.560 4.671 4.120 -0.015 0.000 0.294 379 V C 0.608 176.667 176.094 -0.059 0.000 1.404 379 V CA -0.044 62.229 62.300 -0.044 0.000 1.065 379 V CB -0.370 31.428 31.823 -0.042 0.000 0.904 379 V HN 0.702 nan 8.190 nan 0.000 0.435 380 L N 3.057 124.239 121.223 -0.068 0.000 2.477 380 L HA 0.229 4.560 4.340 -0.015 0.000 0.272 380 L C -0.607 176.270 176.870 0.011 0.000 1.157 380 L CA -1.052 53.776 54.840 -0.020 0.000 0.889 380 L CB 0.831 42.874 42.059 -0.027 0.000 1.158 380 L HN 0.127 nan 8.230 nan 0.000 0.473 381 P HA -0.210 nan 4.420 nan 0.000 0.216 381 P C 0.936 178.246 177.300 0.016 0.000 1.150 381 P CA 1.229 64.335 63.100 0.010 0.000 0.837 381 P CB 0.051 31.761 31.700 0.017 0.000 0.786 382 E N 0.189 120.428 120.200 0.064 0.000 2.478 382 E HA -0.015 4.326 4.350 -0.015 0.000 0.198 382 E C 1.421 178.014 176.600 -0.011 0.000 1.046 382 E CA 0.870 57.300 56.400 0.050 0.000 0.870 382 E CB -0.590 29.227 29.700 0.196 0.000 0.818 382 E HN 0.196 nan 8.360 nan 0.000 0.527 383 A N 1.036 123.879 122.820 0.039 0.000 2.348 383 A HA 0.287 4.598 4.320 -0.015 0.000 0.224 383 A C 1.046 178.629 177.584 -0.002 0.000 1.227 383 A CA -0.389 51.682 52.037 0.057 0.000 0.885 383 A CB 0.075 19.137 19.000 0.103 0.000 0.933 383 A HN 0.134 nan 8.150 nan 0.000 0.506 384 L N 1.355 122.533 121.223 -0.076 0.000 2.331 384 L HA 0.212 4.543 4.340 -0.015 0.000 0.278 384 L C -0.087 176.480 176.870 -0.505 0.000 1.106 384 L CA -0.281 54.457 54.840 -0.171 0.000 0.824 384 L CB 0.956 42.949 42.059 -0.109 0.000 1.142 384 L HN 0.301 nan 8.230 nan 0.000 0.443 385 E N 4.068 123.869 120.200 -0.665 0.000 2.180 385 E HA 0.224 4.565 4.350 -0.015 0.000 0.283 385 E C -0.634 175.363 176.600 -1.004 0.000 1.061 385 E CA -0.160 55.406 56.400 -1.391 0.000 0.861 385 E CB 0.760 29.956 29.700 -0.840 0.000 1.056 385 E HN 0.384 nan 8.360 nan 0.000 0.407 386 R N 3.648 123.444 120.500 -1.174 0.000 2.472 386 R HA 0.203 4.533 4.340 -0.015 0.000 0.294 386 R C -1.306 174.834 176.300 -0.266 0.000 1.243 386 R CA -0.524 55.297 56.100 -0.465 0.000 1.023 386 R CB 0.867 31.019 30.300 -0.246 0.000 1.157 386 R HN 0.449 nan 8.270 nan 0.000 0.530 387 W N 4.604 125.862 121.300 -0.071 0.000 2.322 387 W HA 0.296 4.947 4.660 -0.015 0.000 0.307 387 W C -1.900 174.598 176.519 -0.035 0.000 1.220 387 W CA -2.225 55.130 57.345 0.017 0.000 1.210 387 W CB 0.906 30.352 29.460 -0.024 0.000 1.223 387 W HN 0.258 nan 8.180 nan 0.000 0.511 388 P HA -0.108 nan 4.420 nan 0.000 0.262 388 P C 0.833 178.090 177.300 -0.071 0.000 1.182 388 P CA 0.305 63.403 63.100 -0.004 0.000 0.761 388 P CB 0.696 32.250 31.700 -0.242 0.000 0.795 389 V N 3.492 123.412 119.914 0.010 0.000 2.332 389 V HA -0.297 3.814 4.120 -0.015 0.000 0.248 389 V C 2.165 178.270 176.094 0.017 0.000 1.055 389 V CA 2.605 64.923 62.300 0.030 0.000 1.038 389 V CB -1.687 30.211 31.823 0.125 0.000 0.651 389 V HN 0.767 nan 8.190 nan 0.000 0.450 390 H N -0.963 118.164 119.070 0.095 0.000 2.421 390 H HA -0.112 4.435 4.556 -0.015 0.000 0.298 390 H C 2.032 177.408 175.328 0.081 0.000 1.087 390 H CA 1.749 57.849 56.048 0.086 0.000 1.330 390 H CB -0.617 29.197 29.762 0.087 0.000 1.388 390 H HN 0.359 nan 8.280 nan 0.000 0.526 391 L N -0.029 121.007 121.223 -0.311 0.000 2.027 391 L HA -0.111 4.220 4.340 -0.015 0.000 0.206 391 L C 2.413 179.227 176.870 -0.093 0.000 1.074 391 L CA 1.146 55.911 54.840 -0.125 0.000 0.745 391 L CB -0.265 41.714 42.059 -0.133 0.000 0.898 391 L HN 0.329 nan 8.230 nan 0.000 0.433 392 L N -0.706 120.441 121.223 -0.127 0.000 2.141 392 L HA -0.214 4.117 4.340 -0.015 0.000 0.209 392 L C 2.462 179.270 176.870 -0.103 0.000 1.094 392 L CA 0.963 55.706 54.840 -0.162 0.000 0.763 392 L CB -0.364 41.587 42.059 -0.179 0.000 0.908 392 L HN 0.320 nan 8.230 nan 0.000 0.437 393 E N -0.348 119.835 120.200 -0.028 0.000 2.077 393 E HA -0.198 4.143 4.350 -0.015 0.000 0.193 393 E C 1.941 178.580 176.600 0.065 0.000 0.989 393 E CA 1.855 58.271 56.400 0.027 0.000 0.800 393 E CB 0.160 29.914 29.700 0.090 0.000 0.746 393 E HN 0.407 nan 8.360 nan 0.000 0.452 394 T N 0.833 115.448 114.554 0.102 0.000 2.809 394 T HA -0.094 4.247 4.350 -0.015 0.000 0.260 394 T C 1.734 176.546 174.700 0.187 0.000 1.039 394 T CA 0.774 62.986 62.100 0.187 0.000 1.141 394 T CB -0.136 68.874 68.868 0.237 0.000 0.869 394 T HN 0.067 nan 8.240 nan 0.000 0.437 395 L N -0.044 121.188 121.223 0.015 0.000 2.127 395 L HA 0.350 4.681 4.340 -0.015 0.000 0.203 395 L C 0.454 177.262 176.870 -0.103 0.000 1.080 395 L CA 1.588 56.321 54.840 -0.178 0.000 0.768 395 L CB 0.014 41.929 42.059 -0.240 0.000 0.924 395 L HN 0.177 nan 8.230 nan 0.000 0.444 396 L N 0.730 121.854 121.223 -0.165 0.000 2.551 396 L HA 0.287 4.618 4.340 -0.015 0.000 0.248 396 L C -1.709 174.982 176.870 -0.299 0.000 1.509 396 L CA -0.924 53.732 54.840 -0.306 0.000 0.842 396 L CB 0.920 42.656 42.059 -0.539 0.000 1.087 396 L HN -0.043 nan 8.230 nan 0.000 0.512 397 P HA -0.191 nan 4.420 nan 0.000 0.216 397 P C 1.480 178.590 177.300 -0.316 0.000 1.150 397 P CA 1.158 64.141 63.100 -0.195 0.000 0.837 397 P CB 0.367 32.030 31.700 -0.062 0.000 0.786 398 R N -0.273 119.853 120.500 -0.625 0.000 2.092 398 R HA -0.138 4.192 4.340 -0.015 0.000 0.231 398 R C 2.329 178.316 176.300 -0.522 0.000 1.119 398 R CA 1.555 57.288 56.100 -0.611 0.000 0.970 398 R CB -1.350 28.417 30.300 -0.887 0.000 0.864 398 R HN 0.223 nan 8.270 nan 0.000 0.440 399 H N -0.237 118.524 119.070 -0.515 0.000 2.387 399 H HA -0.059 4.488 4.556 -0.015 0.000 0.299 399 H C 1.810 176.967 175.328 -0.285 0.000 1.090 399 H CA 1.637 57.467 56.048 -0.364 0.000 1.332 399 H CB -0.095 29.415 29.762 -0.420 0.000 1.386 399 H HN 0.107 nan 8.280 nan 0.000 0.516 400 L N 0.503 121.603 121.223 -0.206 0.000 2.046 400 L HA -0.253 4.077 4.340 -0.015 0.000 0.208 400 L C 1.936 178.616 176.870 -0.316 0.000 1.077 400 L CA 1.584 56.236 54.840 -0.313 0.000 0.747 400 L CB -0.283 41.607 42.059 -0.283 0.000 0.896 400 L HN 0.444 nan 8.230 nan 0.000 0.432 401 Q N -0.320 119.401 119.800 -0.132 0.000 2.096 401 Q HA -0.244 4.087 4.340 -0.015 0.000 0.204 401 Q C 2.157 178.177 176.000 0.032 0.000 0.982 401 Q CA 1.688 57.503 55.803 0.020 0.000 0.850 401 Q CB -0.121 28.630 28.738 0.022 0.000 0.901 401 Q HN 0.554 nan 8.270 nan 0.000 0.422 402 I N 0.320 120.888 120.570 -0.004 0.000 2.315 402 I HA -0.264 3.897 4.170 -0.015 0.000 0.248 402 I C 2.120 178.312 176.117 0.125 0.000 1.117 402 I CA 0.987 62.368 61.300 0.134 0.000 1.404 402 I CB -0.111 37.927 38.000 0.063 0.000 1.071 402 I HN 0.186 nan 8.210 nan 0.000 0.419 403 I N -0.513 120.050 120.570 -0.012 0.000 2.226 403 I HA -0.319 3.842 4.170 -0.015 0.000 0.245 403 I C 2.370 178.501 176.117 0.023 0.000 1.100 403 I CA 1.409 62.689 61.300 -0.034 0.000 1.374 403 I CB -0.389 37.524 38.000 -0.146 0.000 1.057 403 I HN 0.158 nan 8.210 nan 0.000 0.413 404 Y N 0.852 121.158 120.300 0.010 0.000 2.181 404 Y HA -0.278 4.263 4.550 -0.015 0.000 0.288 404 Y C 2.608 178.477 175.900 -0.052 0.000 1.146 404 Y CA 1.569 59.661 58.100 -0.013 0.000 1.164 404 Y CB -0.779 37.666 38.460 -0.025 0.000 0.982 404 Y HN 0.199 nan 8.280 nan 0.000 0.515 405 E N 0.332 120.574 120.200 0.071 0.000 2.072 405 E HA -0.136 4.205 4.350 -0.015 0.000 0.191 405 E C 2.079 178.607 176.600 -0.121 0.000 0.985 405 E CA 1.195 57.499 56.400 -0.160 0.000 0.801 405 E CB -0.527 28.904 29.700 -0.448 0.000 0.750 405 E HN 0.468 nan 8.360 nan 0.000 0.452 406 I N 0.716 121.315 120.570 0.048 0.000 2.163 406 I HA -0.301 3.860 4.170 -0.015 0.000 0.243 406 I C 2.274 178.400 176.117 0.015 0.000 1.085 406 I CA 1.418 62.698 61.300 -0.034 0.000 1.347 406 I CB -0.401 37.586 38.000 -0.022 0.000 1.044 406 I HN 0.213 nan 8.210 nan 0.000 0.408 407 N N 0.688 119.441 118.700 0.089 0.000 2.084 407 N HA -0.266 4.465 4.740 -0.015 0.000 0.190 407 N C 1.862 177.458 175.510 0.142 0.000 1.030 407 N CA 1.578 54.727 53.050 0.164 0.000 0.849 407 N CB -0.160 38.442 38.487 0.192 0.000 1.012 407 N HN 0.316 nan 8.380 nan 0.000 0.423 408 Q N 0.029 119.861 119.800 0.053 0.000 2.030 408 Q HA -0.142 4.189 4.340 -0.015 0.000 0.204 408 Q C 2.071 178.060 176.000 -0.018 0.000 0.986 408 Q CA 1.556 57.355 55.803 -0.006 0.000 0.843 408 Q CB -0.022 28.672 28.738 -0.073 0.000 0.904 408 Q HN 0.355 nan 8.270 nan 0.000 0.420 409 R N -0.733 119.735 120.500 -0.054 0.000 2.096 409 R HA -0.132 4.198 4.340 -0.015 0.000 0.235 409 R C 2.154 178.483 176.300 0.049 0.000 1.127 409 R CA 1.401 57.469 56.100 -0.054 0.000 0.968 409 R CB -0.369 29.848 30.300 -0.138 0.000 0.861 409 R HN 0.288 nan 8.270 nan 0.000 0.440 410 F N 1.256 121.186 119.950 -0.034 0.000 2.146 410 F HA -0.097 4.421 4.527 -0.015 0.000 0.298 410 F C 1.800 177.626 175.800 0.044 0.000 1.096 410 F CA 1.337 59.365 58.000 0.046 0.000 1.275 410 F CB -0.114 38.946 39.000 0.099 0.000 1.008 410 F HN -0.101 nan 8.300 nan 0.000 0.480 411 L N -0.096 121.152 121.223 0.042 0.000 2.201 411 L HA -0.208 4.123 4.340 -0.015 0.000 0.212 411 L C 1.931 178.746 176.870 -0.091 0.000 1.105 411 L CA 1.405 56.211 54.840 -0.058 0.000 0.775 411 L CB -0.847 41.235 42.059 0.037 0.000 0.913 411 L HN 0.246 nan 8.230 nan 0.000 0.440 412 N N -0.153 118.509 118.700 -0.064 0.000 2.166 412 N HA -0.176 4.554 4.740 -0.015 0.000 0.186 412 N C 1.924 177.384 175.510 -0.083 0.000 1.019 412 N CA 0.731 53.742 53.050 -0.064 0.000 0.856 412 N CB 0.002 38.458 38.487 -0.052 0.000 0.993 412 N HN 0.239 nan 8.380 nan 0.000 0.426 413 R N 0.578 121.007 120.500 -0.118 0.000 2.075 413 R HA -0.040 4.290 4.340 -0.015 0.000 0.232 413 R C 2.127 178.327 176.300 -0.167 0.000 1.126 413 R CA 0.770 56.790 56.100 -0.133 0.000 0.963 413 R CB -0.145 30.077 30.300 -0.130 0.000 0.858 413 R HN 0.052 nan 8.270 nan 0.000 0.435 414 V N 0.652 120.415 119.914 -0.251 0.000 2.261 414 V HA -0.248 3.863 4.120 -0.015 0.000 0.246 414 V C 2.371 178.466 176.094 0.002 0.000 1.047 414 V CA 1.993 64.213 62.300 -0.133 0.000 1.015 414 V CB -0.790 30.890 31.823 -0.239 0.000 0.642 414 V HN 0.442 nan 8.190 nan 0.000 0.446 415 A N 0.060 122.855 122.820 -0.042 0.000 1.948 415 A HA -0.182 4.129 4.320 -0.015 0.000 0.220 415 A C 2.381 179.949 177.584 -0.027 0.000 1.177 415 A CA 2.342 54.369 52.037 -0.016 0.000 0.636 415 A CB -0.764 18.217 19.000 -0.031 0.000 0.815 415 A HN 0.608 nan 8.150 nan 0.000 0.449 416 A N -0.671 122.113 122.820 -0.059 0.000 1.968 416 A HA 0.291 4.602 4.320 -0.015 0.000 0.217 416 A C 2.391 179.896 177.584 -0.133 0.000 1.169 416 A CA 1.755 53.745 52.037 -0.078 0.000 0.638 416 A CB -0.696 18.260 19.000 -0.072 0.000 0.812 416 A HN 0.999 nan 8.150 nan 0.000 0.446 417 A N -1.673 121.032 122.820 -0.190 0.000 1.975 417 A HA 0.375 4.686 4.320 -0.015 0.000 0.215 417 A C 0.469 177.628 177.584 -0.708 0.000 1.170 417 A CA 0.526 52.289 52.037 -0.457 0.000 0.656 417 A CB -0.157 18.519 19.000 -0.540 0.000 0.821 417 A HN 0.421 nan 8.150 nan 0.000 0.449 418 F N 0.036 119.940 119.950 -0.077 0.000 2.584 418 F HA 0.343 4.861 4.527 -0.016 0.000 0.328 418 F C -2.786 172.979 175.800 -0.059 0.000 1.407 418 F CA -2.734 55.225 58.000 -0.067 0.000 1.145 418 F CB 0.811 39.763 39.000 -0.080 0.000 1.440 418 F HN -0.063 nan 8.300 nan 0.000 0.580 419 P HA 0.205 nan 4.420 nan 0.000 0.268 419 P C 1.018 178.338 177.300 0.034 0.000 1.204 419 P CA 0.950 64.063 63.100 0.021 0.000 0.768 419 P CB 0.973 32.666 31.700 -0.011 0.000 0.842 420 G N 2.399 111.211 108.800 0.021 0.000 2.234 420 G HA2 -0.252 3.699 3.960 -0.015 0.000 0.260 420 G HA3 -0.252 3.699 3.960 -0.015 0.000 0.260 420 G C 0.368 175.278 174.900 0.017 0.000 0.987 420 G CA 0.084 45.193 45.100 0.015 0.000 0.625 420 G HN 0.610 nan 8.290 nan 0.000 0.532 421 D N 1.499 121.917 120.400 0.031 0.000 2.545 421 D HA 0.369 5.000 4.640 -0.015 0.000 0.227 421 D C 2.098 178.390 176.300 -0.014 0.000 1.150 421 D CA 0.437 54.442 54.000 0.008 0.000 1.046 421 D CB 0.356 41.162 40.800 0.010 0.000 1.098 421 D HN 0.595 nan 8.370 nan 0.000 0.502 422 V N 0.684 120.592 119.914 -0.011 0.000 2.515 422 V HA -0.129 3.981 4.120 -0.015 0.000 0.250 422 V C 1.790 177.874 176.094 -0.017 0.000 1.058 422 V CA 1.439 63.732 62.300 -0.012 0.000 1.064 422 V CB -0.450 31.370 31.823 -0.006 0.000 0.675 422 V HN 0.214 nan 8.190 nan 0.000 0.461 423 D N 0.251 120.637 120.400 -0.024 0.000 2.183 423 D HA -0.131 4.500 4.640 -0.015 0.000 0.203 423 D C 2.325 178.599 176.300 -0.044 0.000 0.969 423 D CA 1.054 55.039 54.000 -0.024 0.000 0.842 423 D CB -0.170 40.617 40.800 -0.022 0.000 0.957 423 D HN 0.407 nan 8.370 nan 0.000 0.484 424 R N -0.130 120.320 120.500 -0.083 0.000 2.081 424 R HA -0.088 4.243 4.340 -0.015 0.000 0.235 424 R C 2.238 178.472 176.300 -0.110 0.000 1.131 424 R CA 0.860 56.874 56.100 -0.143 0.000 0.960 424 R CB -0.236 29.919 30.300 -0.243 0.000 0.856 424 R HN 0.254 nan 8.270 nan 0.000 0.436 425 L N 0.562 121.746 121.223 -0.066 0.000 2.013 425 L HA -0.240 4.091 4.340 -0.015 0.000 0.212 425 L C 2.695 179.571 176.870 0.010 0.000 1.073 425 L CA 2.033 56.854 54.840 -0.032 0.000 0.753 425 L CB -0.544 41.505 42.059 -0.016 0.000 0.890 425 L HN 0.302 nan 8.230 nan 0.000 0.432 426 R N 0.029 120.539 120.500 0.018 0.000 2.115 426 R HA -0.089 4.242 4.340 -0.015 0.000 0.226 426 R C 2.176 178.526 176.300 0.084 0.000 1.100 426 R CA 0.934 57.065 56.100 0.053 0.000 0.980 426 R CB -0.473 29.852 30.300 0.042 0.000 0.875 426 R HN 0.190 nan 8.270 nan 0.000 0.445 427 R N 0.128 120.659 120.500 0.052 0.000 2.092 427 R HA 0.092 4.423 4.340 -0.015 0.000 0.231 427 R C 1.982 178.361 176.300 0.132 0.000 1.119 427 R CA 1.804 57.957 56.100 0.088 0.000 0.970 427 R CB -0.167 30.146 30.300 0.022 0.000 0.864 427 R HN 0.340 nan 8.270 nan 0.000 0.440 428 M N -0.007 119.600 119.600 0.010 0.000 2.509 428 M HA 0.049 4.520 4.480 -0.015 0.000 0.250 428 M C 0.837 177.274 176.300 0.230 0.000 1.132 428 M CA -0.034 55.216 55.300 -0.082 0.000 1.080 428 M CB 0.513 32.917 32.600 -0.327 0.000 1.408 428 M HN -0.086 nan 8.290 nan 0.000 0.484 429 S N 1.124 116.978 115.700 0.256 0.000 2.558 429 S HA 0.059 4.520 4.470 -0.015 0.000 0.288 429 S C 1.138 175.985 174.600 0.412 0.000 1.318 429 S CA -0.241 58.138 58.200 0.298 0.000 1.056 429 S CB 0.574 63.897 63.200 0.204 0.000 0.853 429 S HN 0.374 nan 8.310 nan 0.000 0.505 430 L N 4.053 125.471 121.223 0.326 0.000 2.313 430 L HA 0.102 4.433 4.340 -0.015 0.000 0.214 430 L C 0.328 177.306 176.870 0.180 0.000 1.119 430 L CA 0.297 55.291 54.840 0.257 0.000 0.809 430 L CB -0.433 41.720 42.059 0.157 0.000 0.933 430 L HN 0.407 nan 8.230 nan 0.000 0.449 431 V N 0.930 120.962 119.914 0.197 0.000 2.364 431 V HA 0.153 4.264 4.120 -0.015 0.000 0.272 431 V C 0.133 176.316 176.094 0.149 0.000 1.036 431 V CA -0.560 61.846 62.300 0.176 0.000 0.880 431 V CB 1.248 33.211 31.823 0.234 0.000 0.991 431 V HN 0.176 nan 8.190 nan 0.000 0.460 432 E N 3.370 123.638 120.200 0.113 0.000 2.200 432 E HA 0.371 4.712 4.350 -0.015 0.000 0.283 432 E C -0.608 176.046 176.600 0.089 0.000 1.015 432 E CA -0.466 55.990 56.400 0.094 0.000 0.819 432 E CB 1.734 31.470 29.700 0.060 0.000 1.081 432 E HN 0.634 nan 8.360 nan 0.000 0.397 433 E N 0.884 121.133 120.200 0.081 0.000 2.318 433 E HA 0.616 4.957 4.350 -0.015 0.000 0.265 433 E C 0.056 176.692 176.600 0.061 0.000 1.069 433 E CA 0.205 56.647 56.400 0.070 0.000 0.893 433 E CB 1.519 31.254 29.700 0.059 0.000 1.076 433 E HN 0.628 nan 8.360 nan 0.000 0.414 434 G N -0.253 108.581 108.800 0.058 0.000 2.351 434 G HA2 0.304 4.255 3.960 -0.015 0.000 0.279 434 G HA3 0.304 4.255 3.960 -0.015 0.000 0.279 434 G C 0.249 175.181 174.900 0.053 0.000 1.297 434 G CA -0.060 45.070 45.100 0.051 0.000 0.886 434 G HN 0.544 nan 8.290 nan 0.000 0.493 435 A N -1.040 121.810 122.820 0.049 0.000 1.873 435 A HA 0.289 4.600 4.320 -0.015 0.000 0.218 435 A C 1.550 179.173 177.584 0.066 0.000 1.193 435 A CA 3.277 55.343 52.037 0.049 0.000 0.629 435 A CB -1.150 17.876 19.000 0.043 0.000 0.826 435 A HN 2.195 nan 8.150 nan 0.000 0.447 436 V N -2.667 117.297 119.914 0.084 0.000 2.448 436 V HA 0.492 4.603 4.120 -0.015 0.000 0.295 436 V C -0.554 175.610 176.094 0.117 0.000 1.025 436 V CA -1.450 60.923 62.300 0.122 0.000 0.859 436 V CB 1.410 33.330 31.823 0.162 0.000 0.988 436 V HN 0.284 nan 8.190 nan 0.000 0.431 437 K N 4.298 124.776 120.400 0.130 0.000 2.350 437 K HA 0.504 4.815 4.320 -0.015 0.000 0.279 437 K C -0.384 176.287 176.600 0.118 0.000 1.027 437 K CA -0.197 56.163 56.287 0.122 0.000 0.969 437 K CB 1.051 33.635 32.500 0.140 0.000 0.954 437 K HN 0.718 nan 8.250 nan 0.000 0.474 438 R N 1.634 122.192 120.500 0.096 0.000 2.854 438 R HA 0.481 4.811 4.340 -0.015 0.000 0.271 438 R C -0.463 175.876 176.300 0.065 0.000 0.994 438 R CA -1.037 55.109 56.100 0.076 0.000 0.945 438 R CB 1.321 31.649 30.300 0.046 0.000 1.194 438 R HN 0.381 nan 8.270 nan 0.000 0.476 439 I N 1.967 122.571 120.570 0.057 0.000 2.336 439 I HA 0.147 4.308 4.170 -0.015 0.000 0.292 439 I C -0.081 176.021 176.117 -0.025 0.000 0.991 439 I CA -0.735 60.584 61.300 0.032 0.000 1.227 439 I CB 1.033 39.048 38.000 0.026 0.000 1.366 439 I HN 0.500 nan 8.210 nan 0.000 0.466 440 N N 7.113 125.768 118.700 -0.075 0.000 2.402 440 N HA 0.097 4.828 4.740 -0.015 0.000 0.252 440 N C 0.771 176.178 175.510 -0.172 0.000 1.118 440 N CA -0.297 52.626 53.050 -0.211 0.000 0.945 440 N CB 0.971 39.187 38.487 -0.452 0.000 1.147 440 N HN 0.378 nan 8.380 nan 0.000 0.495 441 M N 2.451 121.950 119.600 -0.169 0.000 2.319 441 M HA -0.031 4.440 4.480 -0.015 0.000 0.265 441 M C 1.890 178.044 176.300 -0.242 0.000 1.068 441 M CA 0.615 55.833 55.300 -0.137 0.000 1.118 441 M CB -1.508 31.055 32.600 -0.063 0.000 1.395 441 M HN 0.607 nan 8.290 nan 0.000 0.435 442 A N -0.382 122.290 122.820 -0.248 0.000 1.898 442 A HA -0.169 4.142 4.320 -0.015 0.000 0.216 442 A C 1.985 179.336 177.584 -0.388 0.000 1.181 442 A CA 1.445 53.293 52.037 -0.314 0.000 0.620 442 A CB -1.101 17.918 19.000 0.031 0.000 0.819 442 A HN 0.588 nan 8.150 nan 0.000 0.442 443 H N -1.046 117.809 119.070 -0.358 0.000 2.357 443 H HA -0.029 4.518 4.556 -0.015 0.000 0.301 443 H C 2.131 177.236 175.328 -0.371 0.000 1.082 443 H CA 0.929 56.732 56.048 -0.407 0.000 1.342 443 H CB -0.072 29.666 29.762 -0.041 0.000 1.389 443 H HN 0.362 nan 8.280 nan 0.000 0.511 444 L N 0.445 121.588 121.223 -0.133 0.000 2.012 444 L HA -0.252 4.079 4.340 -0.015 0.000 0.210 444 L C 2.307 179.041 176.870 -0.227 0.000 1.073 444 L CA 1.406 56.162 54.840 -0.140 0.000 0.748 444 L CB -0.417 41.586 42.059 -0.094 0.000 0.891 444 L HN 0.459 nan 8.230 nan 0.000 0.431 445 C N -0.052 119.012 119.300 -0.394 0.000 2.429 445 C HA -0.176 4.275 4.460 -0.015 0.000 0.277 445 C C 2.654 177.386 174.990 -0.430 0.000 1.262 445 C CA 0.629 59.336 59.018 -0.519 0.000 1.733 445 C CB -0.760 26.307 27.740 -1.121 0.000 2.010 445 C HN 0.512 nan 8.230 nan 0.000 0.483 446 I N 1.455 121.720 120.570 -0.508 0.000 2.179 446 I HA -0.206 3.955 4.170 -0.015 0.000 0.242 446 I C 2.772 178.738 176.117 -0.251 0.000 1.088 446 I CA 1.644 62.694 61.300 -0.417 0.000 1.357 446 I CB -0.616 36.992 38.000 -0.653 0.000 1.051 446 I HN 0.267 nan 8.210 nan 0.000 0.409 447 A N 0.638 123.275 122.820 -0.305 0.000 1.908 447 A HA -0.151 4.160 4.320 -0.015 0.000 0.218 447 A C 2.209 179.835 177.584 0.069 0.000 1.181 447 A CA 2.061 53.959 52.037 -0.231 0.000 0.627 447 A CB -1.273 17.416 19.000 -0.518 0.000 0.818 447 A HN 0.492 nan 8.150 nan 0.000 0.445 448 G N -1.257 107.522 108.800 -0.034 0.000 3.371 448 G HA2 0.428 4.378 3.960 -0.015 0.000 0.248 448 G HA3 0.428 4.378 3.960 -0.015 0.000 0.248 448 G C 0.053 174.787 174.900 -0.277 0.000 1.161 448 G CA 0.496 45.448 45.100 -0.246 0.000 0.796 448 G HN 0.346 nan 8.290 nan 0.000 0.539 449 S N -0.329 115.265 115.700 -0.177 0.000 2.536 449 S HA 0.312 4.772 4.470 -0.015 0.000 0.298 449 S C 0.774 175.322 174.600 -0.087 0.000 1.083 449 S CA -0.711 57.412 58.200 -0.129 0.000 0.995 449 S CB 1.285 64.412 63.200 -0.122 0.000 1.058 449 S HN 0.506 nan 8.310 nan 0.000 0.488 450 H N 0.068 119.101 119.070 -0.062 0.000 2.548 450 H HA 0.457 5.004 4.556 -0.016 0.000 0.268 450 H C 0.137 175.455 175.328 -0.017 0.000 0.975 450 H CA 0.357 56.397 56.048 -0.014 0.000 1.195 450 H CB 0.151 29.919 29.762 0.009 0.000 1.397 450 H HN 0.508 nan 8.280 nan 0.000 0.572 451 A N 1.015 123.541 122.820 -0.490 0.000 2.488 451 A HA 0.553 4.864 4.320 -0.015 0.000 0.298 451 A C -1.406 175.980 177.584 -0.329 0.000 1.044 451 A CA -0.580 51.220 52.037 -0.395 0.000 0.693 451 A CB 2.214 20.944 19.000 -0.451 0.000 1.272 451 A HN 0.098 nan 8.150 nan 0.000 0.402 452 V N 4.179 123.864 119.914 -0.383 0.000 2.531 452 V HA 0.545 4.656 4.120 -0.015 0.000 0.301 452 V C -0.734 175.176 176.094 -0.306 0.000 1.034 452 V CA -0.770 61.294 62.300 -0.393 0.000 0.865 452 V CB 1.796 33.227 31.823 -0.654 0.000 0.995 452 V HN 1.010 nan 8.190 nan 0.000 0.424 453 N N 3.150 121.688 118.700 -0.270 0.000 2.229 453 N HA 0.607 5.338 4.740 -0.015 0.000 0.298 453 N C -0.269 175.137 175.510 -0.173 0.000 1.114 453 N CA -0.360 52.575 53.050 -0.193 0.000 0.776 453 N CB 2.888 41.242 38.487 -0.222 0.000 1.501 453 N HN 0.638 nan 8.380 nan 0.000 0.474 454 G N -0.696 108.037 108.800 -0.111 0.000 2.535 454 G HA2 0.429 4.379 3.960 -0.015 0.000 0.303 454 G HA3 0.429 4.379 3.960 -0.015 0.000 0.303 454 G C 0.730 175.687 174.900 0.096 0.000 1.237 454 G CA -0.477 44.611 45.100 -0.019 0.000 0.986 454 G HN 0.641 nan 8.290 nan 0.000 0.494 455 V N -3.809 116.279 119.914 0.289 0.000 3.427 455 V HA 0.702 4.813 4.120 -0.015 0.000 0.305 455 V C 0.526 176.697 176.094 0.128 0.000 1.412 455 V CA 0.359 62.740 62.300 0.136 0.000 1.086 455 V CB -0.731 31.124 31.823 0.053 0.000 0.964 455 V HN 1.361 nan 8.190 nan 0.000 0.439 456 A N -0.005 122.902 122.820 0.146 0.000 2.599 456 A HA 0.635 4.946 4.320 -0.015 0.000 0.294 456 A C 0.684 178.315 177.584 0.080 0.000 1.055 456 A CA -0.089 52.011 52.037 0.105 0.000 0.683 456 A CB 1.171 20.223 19.000 0.085 0.000 1.278 456 A HN 0.022 nan 8.150 nan 0.000 0.412 457 R N 0.788 121.314 120.500 0.044 0.000 2.096 457 R HA -0.155 4.176 4.340 -0.015 0.000 0.240 457 R C 1.609 177.906 176.300 -0.005 0.000 1.139 457 R CA 2.287 58.391 56.100 0.007 0.000 0.952 457 R CB -0.220 30.080 30.300 -0.001 0.000 0.854 457 R HN 0.818 nan 8.270 nan 0.000 0.436 458 I N 0.249 120.825 120.570 0.011 0.000 2.315 458 I HA -0.275 3.886 4.170 -0.015 0.000 0.248 458 I C 2.317 178.443 176.117 0.015 0.000 1.117 458 I CA 1.700 62.999 61.300 -0.002 0.000 1.404 458 I CB -0.206 37.791 38.000 -0.004 0.000 1.071 458 I HN 0.337 nan 8.210 nan 0.000 0.419 459 H N 0.263 119.303 119.070 -0.050 0.000 2.326 459 H HA -0.108 4.439 4.556 -0.016 0.000 0.301 459 H C 2.263 177.556 175.328 -0.058 0.000 1.081 459 H CA 2.167 58.181 56.048 -0.057 0.000 1.334 459 H CB -0.252 29.481 29.762 -0.048 0.000 1.385 459 H HN 0.223 nan 8.280 nan 0.000 0.504 460 S N 0.408 115.984 115.700 -0.208 0.000 2.382 460 S HA -0.124 4.337 4.470 -0.015 0.000 0.228 460 S C 1.886 176.364 174.600 -0.204 0.000 1.027 460 S CA 1.195 59.254 58.200 -0.235 0.000 0.991 460 S CB -0.067 63.066 63.200 -0.111 0.000 0.823 460 S HN 0.482 nan 8.310 nan 0.000 0.469 461 E N 1.233 121.336 120.200 -0.161 0.000 2.072 461 E HA -0.006 4.335 4.350 -0.015 0.000 0.191 461 E C 2.038 178.526 176.600 -0.188 0.000 0.985 461 E CA 0.643 56.939 56.400 -0.173 0.000 0.801 461 E CB -0.406 29.224 29.700 -0.117 0.000 0.750 461 E HN 0.502 nan 8.360 nan 0.000 0.452 462 I N 1.043 121.518 120.570 -0.158 0.000 2.264 462 I HA -0.293 3.868 4.170 -0.015 0.000 0.248 462 I C 2.425 178.420 176.117 -0.203 0.000 1.111 462 I CA 0.889 62.100 61.300 -0.148 0.000 1.382 462 I CB -0.268 37.678 38.000 -0.090 0.000 1.060 462 I HN 0.067 nan 8.210 nan 0.000 0.418 463 L N 0.347 121.413 121.223 -0.262 0.000 2.046 463 L HA -0.232 4.098 4.340 -0.015 0.000 0.208 463 L C 2.492 179.248 176.870 -0.191 0.000 1.077 463 L CA 1.578 56.279 54.840 -0.232 0.000 0.747 463 L CB -0.558 41.430 42.059 -0.120 0.000 0.896 463 L HN 0.206 nan 8.230 nan 0.000 0.432 464 K N -0.230 119.981 120.400 -0.315 0.000 2.217 464 K HA -0.097 4.214 4.320 -0.015 0.000 0.202 464 K C 1.997 178.393 176.600 -0.341 0.000 1.051 464 K CA 0.818 56.775 56.287 -0.549 0.000 0.952 464 K CB 0.087 32.010 32.500 -0.962 0.000 0.736 464 K HN 0.266 nan 8.250 nan 0.000 0.453 465 K N -0.012 120.248 120.400 -0.233 0.000 2.284 465 K HA -0.012 4.299 4.320 -0.015 0.000 0.198 465 K C 1.841 178.387 176.600 -0.091 0.000 1.048 465 K CA 1.298 57.502 56.287 -0.139 0.000 0.987 465 K CB 0.582 33.009 32.500 -0.120 0.000 0.800 465 K HN 0.260 nan 8.250 nan 0.000 0.486 466 T N -1.369 113.121 114.554 -0.107 0.000 3.409 466 T HA 0.062 4.403 4.350 -0.015 0.000 0.188 466 T C 1.951 176.605 174.700 -0.077 0.000 0.929 466 T CA -0.042 62.007 62.100 -0.084 0.000 1.184 466 T CB -0.755 68.057 68.868 -0.093 0.000 1.570 466 T HN 0.102 nan 8.240 nan 0.000 0.367 467 I N -1.079 119.382 120.570 -0.180 0.000 2.394 467 I HA 0.272 4.432 4.170 -0.015 0.000 0.251 467 I C 1.406 177.496 176.117 -0.046 0.000 1.136 467 I CA 1.242 62.407 61.300 -0.225 0.000 1.425 467 I CB -0.543 37.176 38.000 -0.469 0.000 1.079 467 I HN 0.241 nan 8.210 nan 0.000 0.425 468 F N 0.912 120.937 119.950 0.125 0.000 2.708 468 F HA 0.337 4.855 4.527 -0.016 0.000 0.300 468 F C 2.018 177.910 175.800 0.153 0.000 1.118 468 F CA -0.629 57.515 58.000 0.240 0.000 1.307 468 F CB 0.157 39.303 39.000 0.243 0.000 0.986 468 F HN -0.084 nan 8.300 nan 0.000 0.522 469 K N 1.086 121.601 120.400 0.191 0.000 2.044 469 K HA -0.224 4.086 4.320 -0.015 0.000 0.210 469 K C 1.323 177.980 176.600 0.093 0.000 1.049 469 K CA 2.216 58.557 56.287 0.089 0.000 0.927 469 K CB -0.026 32.492 32.500 0.029 0.000 0.713 469 K HN 0.158 nan 8.250 nan 0.000 0.443 470 D N -0.174 120.260 120.400 0.057 0.000 2.149 470 D HA -0.160 4.470 4.640 -0.015 0.000 0.198 470 D C 1.796 178.003 176.300 -0.155 0.000 0.990 470 D CA 1.241 55.144 54.000 -0.163 0.000 0.839 470 D CB -0.282 40.326 40.800 -0.321 0.000 0.948 470 D HN 0.256 nan 8.370 nan 0.000 0.460 471 F N -0.305 119.720 119.950 0.125 0.000 2.206 471 F HA -0.118 4.400 4.527 -0.015 0.000 0.298 471 F C 2.317 178.261 175.800 0.241 0.000 1.090 471 F CA 0.407 58.561 58.000 0.257 0.000 1.323 471 F CB -0.626 38.604 39.000 0.384 0.000 1.028 471 F HN -0.044 nan 8.300 nan 0.000 0.492 472 Y N 1.402 121.668 120.300 -0.056 0.000 2.224 472 Y HA -0.196 4.345 4.550 -0.015 0.000 0.289 472 Y C 2.091 177.970 175.900 -0.036 0.000 1.146 472 Y CA 1.596 59.480 58.100 -0.361 0.000 1.182 472 Y CB -0.566 37.502 38.460 -0.653 0.000 0.983 472 Y HN 0.135 nan 8.280 nan 0.000 0.524 473 E N -0.469 119.683 120.200 -0.080 0.000 2.106 473 E HA -0.183 4.158 4.350 -0.015 0.000 0.192 473 E C 1.987 178.653 176.600 0.110 0.000 0.984 473 E CA 1.158 57.526 56.400 -0.054 0.000 0.806 473 E CB -0.254 29.441 29.700 -0.009 0.000 0.750 473 E HN 0.426 nan 8.360 nan 0.000 0.458 474 L N 0.989 122.311 121.223 0.166 0.000 2.072 474 L HA -0.053 4.278 4.340 -0.015 0.000 0.205 474 L C 0.187 177.143 176.870 0.143 0.000 1.079 474 L CA 1.695 56.670 54.840 0.226 0.000 0.752 474 L CB 0.352 42.533 42.059 0.203 0.000 0.906 474 L HN -0.099 nan 8.230 nan 0.000 0.436 475 E N -0.143 120.137 120.200 0.133 0.000 3.132 475 E HA 0.187 4.528 4.350 -0.015 0.000 0.241 475 E C -2.021 174.531 176.600 -0.079 0.000 1.196 475 E CA -1.240 55.149 56.400 -0.017 0.000 0.869 475 E CB 0.824 30.502 29.700 -0.036 0.000 1.387 475 E HN 0.193 nan 8.360 nan 0.000 0.393 476 P HA -0.238 nan 4.420 nan 0.000 0.218 476 P C 1.211 178.613 177.300 0.171 0.000 1.149 476 P CA 1.329 64.350 63.100 -0.132 0.000 0.817 476 P CB -0.049 31.442 31.700 -0.347 0.000 0.785 477 H N 0.312 119.488 119.070 0.177 0.000 2.489 477 H HA 0.035 4.582 4.556 -0.016 0.000 0.293 477 H C 1.451 176.873 175.328 0.157 0.000 1.066 477 H CA 0.849 56.989 56.048 0.154 0.000 1.305 477 H CB -0.676 29.146 29.762 0.101 0.000 1.386 477 H HN 0.160 nan 8.280 nan 0.000 0.551 478 K N 0.277 120.595 120.400 -0.137 0.000 2.217 478 K HA 0.031 4.342 4.320 -0.015 0.000 0.202 478 K C -0.127 176.351 176.600 -0.204 0.000 1.051 478 K CA 0.306 56.487 56.287 -0.176 0.000 0.952 478 K CB 0.097 32.366 32.500 -0.385 0.000 0.736 478 K HN 0.111 nan 8.250 nan 0.000 0.453 479 F N 1.720 121.703 119.950 0.055 0.000 2.420 479 F HA 0.185 4.703 4.527 -0.016 0.000 0.352 479 F C 0.458 176.264 175.800 0.011 0.000 1.108 479 F CA -0.262 57.770 58.000 0.054 0.000 1.162 479 F CB 1.003 40.091 39.000 0.147 0.000 1.118 479 F HN -0.110 nan 8.300 nan 0.000 0.510 480 Q N 1.795 121.630 119.800 0.059 0.000 2.528 480 Q HA 0.354 4.685 4.340 -0.015 0.000 0.289 480 Q C -1.167 174.795 176.000 -0.062 0.000 1.091 480 Q CA -1.256 54.533 55.803 -0.023 0.000 0.797 480 Q CB 3.097 31.768 28.738 -0.111 0.000 1.466 480 Q HN 0.611 nan 8.270 nan 0.000 0.436 481 N N 0.714 119.359 118.700 -0.091 0.000 2.314 481 N HA 0.278 5.009 4.740 -0.015 0.000 0.304 481 N C -1.449 173.962 175.510 -0.166 0.000 1.073 481 N CA -0.386 52.604 53.050 -0.100 0.000 0.822 481 N CB 1.004 39.454 38.487 -0.062 0.000 1.280 481 N HN 0.284 nan 8.380 nan 0.000 0.489 482 K N 2.717 123.019 120.400 -0.163 0.000 2.723 482 K HA 0.185 4.496 4.320 -0.015 0.000 0.229 482 K C -0.968 175.631 176.600 -0.001 0.000 1.022 482 K CA -0.496 55.669 56.287 -0.203 0.000 1.045 482 K CB 1.288 33.444 32.500 -0.574 0.000 1.227 482 K HN 0.535 nan 8.250 nan 0.000 0.516 483 T N 2.086 116.659 114.554 0.032 0.000 2.902 483 T HA 0.058 4.398 4.350 -0.015 0.000 0.301 483 T C 0.778 175.599 174.700 0.202 0.000 1.012 483 T CA 0.300 62.471 62.100 0.118 0.000 1.151 483 T CB 0.285 69.226 68.868 0.122 0.000 0.946 483 T HN 0.356 nan 8.240 nan 0.000 0.542 484 N N 0.643 119.485 118.700 0.236 0.000 2.307 484 N HA 0.389 5.120 4.740 -0.015 0.000 0.230 484 N C 0.482 176.177 175.510 0.307 0.000 1.297 484 N CA -0.149 53.075 53.050 0.290 0.000 0.884 484 N CB 0.390 38.988 38.487 0.185 0.000 1.115 484 N HN 0.759 nan 8.380 nan 0.000 0.436 485 G N -0.571 108.421 108.800 0.321 0.000 2.687 485 G HA2 0.620 4.571 3.960 -0.015 0.000 0.291 485 G HA3 0.620 4.571 3.960 -0.015 0.000 0.291 485 G C -1.357 173.675 174.900 0.221 0.000 1.420 485 G CA -0.735 44.537 45.100 0.286 0.000 0.796 485 G HN 0.598 nan 8.290 nan 0.000 0.485 486 I N -2.316 118.368 120.570 0.191 0.000 2.828 486 I HA 0.720 4.881 4.170 -0.015 0.000 0.302 486 I C -0.177 176.096 176.117 0.261 0.000 1.101 486 I CA -0.926 60.482 61.300 0.180 0.000 1.031 486 I CB 2.448 40.441 38.000 -0.011 0.000 1.231 486 I HN 0.480 nan 8.210 nan 0.000 0.427 487 T N 4.676 119.435 114.554 0.342 0.000 2.779 487 T HA 0.318 4.658 4.350 -0.015 0.000 0.296 487 T C -1.381 173.436 174.700 0.194 0.000 0.938 487 T CA -1.447 60.780 62.100 0.212 0.000 1.119 487 T CB 0.662 69.601 68.868 0.118 0.000 0.891 487 T HN 0.635 nan 8.240 nan 0.000 0.526 488 P HA 0.055 nan 4.420 nan 0.000 0.237 488 P C 1.083 178.352 177.300 -0.051 0.000 1.178 488 P CA 0.310 63.446 63.100 0.060 0.000 0.766 488 P CB 0.350 32.068 31.700 0.029 0.000 0.876 489 R N 0.425 120.849 120.500 -0.127 0.000 2.056 489 R HA 0.015 4.346 4.340 -0.015 0.000 0.227 489 R C 2.683 178.865 176.300 -0.197 0.000 1.149 489 R CA 1.513 57.498 56.100 -0.192 0.000 0.937 489 R CB -1.188 29.000 30.300 -0.187 0.000 0.835 489 R HN 0.032 nan 8.270 nan 0.000 0.430 490 R N -0.807 119.517 120.500 -0.292 0.000 2.081 490 R HA -0.132 4.199 4.340 -0.015 0.000 0.235 490 R C 1.068 177.022 176.300 -0.577 0.000 1.131 490 R CA 1.749 57.514 56.100 -0.558 0.000 0.960 490 R CB -0.166 29.594 30.300 -0.900 0.000 0.856 490 R HN 0.306 nan 8.270 nan 0.000 0.436 491 W N -0.530 120.724 121.300 -0.075 0.000 3.353 491 W HA 0.171 4.821 4.660 -0.016 0.000 0.304 491 W C 0.973 177.460 176.519 -0.055 0.000 1.273 491 W CA -0.712 56.587 57.345 -0.076 0.000 1.773 491 W CB 0.464 29.883 29.460 -0.069 0.000 1.095 491 W HN 0.217 nan 8.180 nan 0.000 0.676 492 L N -2.202 119.077 121.223 0.094 0.000 2.511 492 L HA 0.193 4.524 4.340 -0.015 0.000 0.173 492 L C 1.768 178.652 176.870 0.023 0.000 1.160 492 L CA 0.786 55.674 54.840 0.079 0.000 0.964 492 L CB -0.821 41.311 42.059 0.121 0.000 1.892 492 L HN -0.248 nan 8.230 nan 0.000 0.497 493 V N 0.980 120.885 119.914 -0.016 0.000 2.295 493 V HA -0.263 3.848 4.120 -0.015 0.000 0.246 493 V C 2.432 178.497 176.094 -0.049 0.000 1.049 493 V CA 2.442 64.722 62.300 -0.032 0.000 1.024 493 V CB -0.642 31.134 31.823 -0.079 0.000 0.648 493 V HN 0.496 nan 8.190 nan 0.000 0.447 494 L N 0.456 121.620 121.223 -0.097 0.000 2.023 494 L HA -0.176 4.155 4.340 -0.015 0.000 0.205 494 L C 2.500 179.305 176.870 -0.108 0.000 1.073 494 L CA 2.359 57.125 54.840 -0.123 0.000 0.745 494 L CB -0.270 41.665 42.059 -0.206 0.000 0.900 494 L HN 0.644 nan 8.230 nan 0.000 0.435 495 C N -1.769 117.462 119.300 -0.117 0.000 2.563 495 C HA 0.200 4.651 4.460 -0.015 0.000 0.268 495 C C 1.175 176.146 174.990 -0.032 0.000 1.365 495 C CA -0.290 58.678 59.018 -0.084 0.000 1.754 495 C CB -1.032 26.658 27.740 -0.084 0.000 1.932 495 C HN 0.588 nan 8.230 nan 0.000 0.536 496 N N 1.160 119.852 118.700 -0.013 0.000 2.733 496 N HA 0.291 5.021 4.740 -0.015 0.000 0.271 496 N C -1.774 173.745 175.510 0.014 0.000 1.720 496 N CA -1.620 51.434 53.050 0.006 0.000 0.803 496 N CB 0.801 39.300 38.487 0.020 0.000 1.208 496 N HN 0.235 nan 8.380 nan 0.000 0.498 497 P HA -0.045 nan 4.420 nan 0.000 0.217 497 P C 1.422 178.735 177.300 0.022 0.000 1.150 497 P CA 0.936 64.044 63.100 0.014 0.000 0.832 497 P CB 0.219 31.921 31.700 0.003 0.000 0.787 498 G N 0.669 109.477 108.800 0.014 0.000 2.446 498 G HA2 -0.261 3.690 3.960 -0.015 0.000 0.217 498 G HA3 -0.261 3.690 3.960 -0.015 0.000 0.217 498 G C 1.535 176.441 174.900 0.010 0.000 1.168 498 G CA 0.789 45.894 45.100 0.009 0.000 0.771 498 G HN 0.257 nan 8.290 nan 0.000 0.551 499 L N 1.182 122.412 121.223 0.012 0.000 2.072 499 L HA 0.294 4.624 4.340 -0.015 0.000 0.205 499 L C 3.063 179.961 176.870 0.046 0.000 1.079 499 L CA 1.941 56.787 54.840 0.010 0.000 0.752 499 L CB -0.715 41.349 42.059 0.009 0.000 0.906 499 L HN 0.228 nan 8.230 nan 0.000 0.436 500 A N -0.717 122.151 122.820 0.081 0.000 1.940 500 A HA -0.258 4.053 4.320 -0.015 0.000 0.219 500 A C 2.247 179.926 177.584 0.159 0.000 1.176 500 A CA 1.843 53.979 52.037 0.165 0.000 0.631 500 A CB -0.657 18.430 19.000 0.144 0.000 0.814 500 A HN 0.538 nan 8.150 nan 0.000 0.446 501 E N 0.616 120.870 120.200 0.090 0.000 2.047 501 E HA -0.154 4.187 4.350 -0.015 0.000 0.191 501 E C 1.844 178.482 176.600 0.062 0.000 0.987 501 E CA 1.558 58.001 56.400 0.072 0.000 0.799 501 E CB -0.524 29.201 29.700 0.041 0.000 0.752 501 E HN 0.737 nan 8.360 nan 0.000 0.449 502 I N -1.625 118.975 120.570 0.050 0.000 2.361 502 I HA -0.154 4.007 4.170 -0.015 0.000 0.251 502 I C 2.131 178.310 176.117 0.103 0.000 1.133 502 I CA 1.179 62.519 61.300 0.067 0.000 1.413 502 I CB -0.360 37.660 38.000 0.033 0.000 1.073 502 I HN 0.023 nan 8.210 nan 0.000 0.424 503 I N 1.903 122.510 120.570 0.060 0.000 2.252 503 I HA -0.184 3.977 4.170 -0.015 0.000 0.245 503 I C 2.995 179.056 176.117 -0.094 0.000 1.102 503 I CA 1.307 62.567 61.300 -0.067 0.000 1.385 503 I CB -0.485 37.355 38.000 -0.267 0.000 1.064 503 I HN 0.304 nan 8.210 nan 0.000 0.414 504 A N 0.391 123.249 122.820 0.064 0.000 1.933 504 A HA -0.222 4.089 4.320 -0.015 0.000 0.218 504 A C 2.169 179.780 177.584 0.046 0.000 1.175 504 A CA 1.557 53.681 52.037 0.144 0.000 0.628 504 A CB -0.586 18.530 19.000 0.193 0.000 0.814 504 A HN 0.439 nan 8.150 nan 0.000 0.444 505 E N -0.629 119.581 120.200 0.016 0.000 2.160 505 E HA -0.210 4.131 4.350 -0.015 0.000 0.195 505 E C 2.190 178.758 176.600 -0.053 0.000 0.991 505 E CA 1.221 57.618 56.400 -0.005 0.000 0.810 505 E CB -0.064 29.640 29.700 0.007 0.000 0.742 505 E HN 0.528 nan 8.360 nan 0.000 0.466 506 R N 0.023 120.435 120.500 -0.147 0.000 2.123 506 R HA 0.101 4.432 4.340 -0.015 0.000 0.209 506 R C 2.298 178.507 176.300 -0.151 0.000 1.078 506 R CA 0.803 56.744 56.100 -0.265 0.000 1.028 506 R CB -0.106 29.720 30.300 -0.790 0.000 0.939 506 R HN 0.299 nan 8.270 nan 0.000 0.463 507 I N -2.886 117.607 120.570 -0.128 0.000 4.154 507 I HA 0.442 4.603 4.170 -0.015 0.000 0.334 507 I C 0.445 176.592 176.117 0.050 0.000 1.371 507 I CA 0.046 61.323 61.300 -0.039 0.000 1.110 507 I CB 0.922 38.875 38.000 -0.079 0.000 1.085 507 I HN 0.180 nan 8.210 nan 0.000 0.398 508 G N 2.021 110.864 108.800 0.071 0.000 2.698 508 G HA2 -0.220 3.731 3.960 -0.015 0.000 0.225 508 G HA3 -0.220 3.731 3.960 -0.015 0.000 0.225 508 G C -0.018 175.010 174.900 0.213 0.000 1.345 508 G CA 0.202 45.369 45.100 0.110 0.000 0.871 508 G HN 0.416 nan 8.290 nan 0.000 0.540 509 E N -0.456 119.824 120.200 0.133 0.000 2.476 509 E HA 0.063 4.404 4.350 -0.015 0.000 0.199 509 E C 1.883 178.443 176.600 -0.068 0.000 1.021 509 E CA -0.000 56.426 56.400 0.045 0.000 0.907 509 E CB 0.224 29.937 29.700 0.022 0.000 0.974 509 E HN 0.457 nan 8.360 nan 0.000 0.489 510 E N 0.542 120.770 120.200 0.046 0.000 2.265 510 E HA -0.169 4.172 4.350 -0.015 0.000 0.196 510 E C 1.670 178.269 176.600 -0.002 0.000 0.996 510 E CA 0.740 57.156 56.400 0.026 0.000 0.832 510 E CB 0.035 29.770 29.700 0.060 0.000 0.756 510 E HN 0.495 nan 8.360 nan 0.000 0.491 511 Y N -1.089 119.212 120.300 0.002 0.000 2.421 511 Y HA -0.044 4.497 4.550 -0.014 0.000 0.292 511 Y C 1.962 177.836 175.900 -0.044 0.000 1.136 511 Y CA 0.593 58.685 58.100 -0.013 0.000 1.255 511 Y CB -0.791 37.664 38.460 -0.008 0.000 0.991 511 Y HN -0.093 nan 8.280 nan 0.000 0.552 512 I N 0.977 121.069 120.570 -0.797 0.000 2.335 512 I HA -0.253 3.908 4.170 -0.015 0.000 0.251 512 I C 1.809 177.656 176.117 -0.449 0.000 1.129 512 I CA 1.910 62.780 61.300 -0.716 0.000 1.402 512 I CB -0.399 37.094 38.000 -0.844 0.000 1.069 512 I HN 0.483 nan 8.210 nan 0.000 0.424 513 S N -2.024 113.520 115.700 -0.261 0.000 2.663 513 S HA 0.174 4.634 4.470 -0.015 0.000 0.243 513 S C 0.131 174.711 174.600 -0.033 0.000 1.009 513 S CA -0.481 57.649 58.200 -0.117 0.000 0.988 513 S CB 0.274 63.479 63.200 0.008 0.000 0.896 513 S HN 0.290 nan 8.310 nan 0.000 0.502 514 D N 0.684 121.073 120.400 -0.018 0.000 2.823 514 D HA 0.239 4.870 4.640 -0.015 0.000 0.255 514 D C 0.283 176.623 176.300 0.067 0.000 1.257 514 D CA -0.382 53.634 54.000 0.025 0.000 0.803 514 D CB 0.450 41.271 40.800 0.034 0.000 1.384 514 D HN 0.110 nan 8.370 nan 0.000 0.541 515 L N 1.239 122.502 121.223 0.065 0.000 2.353 515 L HA 0.020 4.351 4.340 -0.015 0.000 0.220 515 L C 1.402 178.323 176.870 0.085 0.000 1.133 515 L CA 1.428 56.337 54.840 0.115 0.000 0.798 515 L CB -0.042 42.078 42.059 0.103 0.000 0.922 515 L HN 0.258 nan 8.230 nan 0.000 0.445 516 D N -0.676 119.751 120.400 0.046 0.000 2.221 516 D HA -0.211 4.420 4.640 -0.015 0.000 0.204 516 D C 1.927 178.247 176.300 0.033 0.000 0.982 516 D CA 0.840 54.852 54.000 0.022 0.000 0.857 516 D CB 0.064 40.864 40.800 0.001 0.000 0.934 516 D HN 0.543 nan 8.370 nan 0.000 0.475 517 Q N -0.033 119.803 119.800 0.061 0.000 2.364 517 Q HA -0.054 4.276 4.340 -0.015 0.000 0.209 517 Q C 2.278 178.294 176.000 0.026 0.000 0.977 517 Q CA 0.270 56.109 55.803 0.060 0.000 0.885 517 Q CB 0.002 28.803 28.738 0.105 0.000 0.941 517 Q HN 0.391 nan 8.270 nan 0.000 0.464 518 L N 0.211 121.444 121.223 0.016 0.000 2.261 518 L HA -0.202 4.128 4.340 -0.015 0.000 0.216 518 L C 2.284 179.146 176.870 -0.013 0.000 1.114 518 L CA 0.903 55.718 54.840 -0.041 0.000 0.777 518 L CB -0.404 41.645 42.059 -0.018 0.000 0.910 518 L HN 0.221 nan 8.230 nan 0.000 0.440 519 R N 0.389 120.894 120.500 0.007 0.000 2.159 519 R HA -0.177 4.154 4.340 -0.015 0.000 0.237 519 R C 2.082 178.390 176.300 0.013 0.000 1.131 519 R CA 1.088 57.195 56.100 0.012 0.000 0.982 519 R CB -0.207 30.097 30.300 0.007 0.000 0.868 519 R HN 0.411 nan 8.270 nan 0.000 0.453 520 K N 0.584 120.991 120.400 0.011 0.000 2.360 520 K HA -0.103 4.208 4.320 -0.015 0.000 0.201 520 K C 1.851 178.500 176.600 0.081 0.000 1.046 520 K CA 0.810 57.117 56.287 0.033 0.000 0.940 520 K CB -0.064 32.458 32.500 0.036 0.000 0.748 520 K HN 0.233 nan 8.250 nan 0.000 0.465 521 L N 0.442 121.685 121.223 0.033 0.000 2.376 521 L HA -0.135 4.195 4.340 -0.015 0.000 0.219 521 L C 1.859 178.791 176.870 0.103 0.000 1.133 521 L CA 0.072 54.934 54.840 0.038 0.000 0.816 521 L CB -0.248 41.787 42.059 -0.039 0.000 0.933 521 L HN 0.118 nan 8.230 nan 0.000 0.449 522 L N 0.161 121.420 121.223 0.060 0.000 2.127 522 L HA -0.199 4.132 4.340 -0.015 0.000 0.211 522 L C 2.703 179.571 176.870 -0.005 0.000 1.089 522 L CA 1.981 56.843 54.840 0.037 0.000 0.757 522 L CB -0.998 41.070 42.059 0.015 0.000 0.899 522 L HN 0.368 nan 8.230 nan 0.000 0.434 523 S N -2.633 113.028 115.700 -0.065 0.000 2.660 523 S HA -0.084 4.376 4.470 -0.015 0.000 0.228 523 S C 1.134 175.468 174.600 -0.445 0.000 0.966 523 S CA 0.280 58.335 58.200 -0.241 0.000 0.940 523 S CB -0.560 62.450 63.200 -0.317 0.000 0.773 523 S HN 0.481 nan 8.310 nan 0.000 0.535 524 Y N -0.702 119.519 120.300 -0.131 0.000 2.557 524 Y HA 0.435 4.983 4.550 -0.004 0.000 0.247 524 Y C 1.829 177.748 175.900 0.031 0.000 1.164 524 Y CA -0.524 57.485 58.100 -0.153 0.000 1.218 524 Y CB 0.331 38.463 38.460 -0.546 0.000 1.210 524 Y HN 0.265 nan 8.280 nan 0.000 0.529 525 V N 0.362 120.357 119.914 0.135 0.000 2.759 525 V HA -0.181 3.930 4.120 -0.015 0.000 0.256 525 V C 0.897 177.057 176.094 0.111 0.000 1.080 525 V CA 2.124 64.510 62.300 0.143 0.000 1.101 525 V CB 0.020 31.892 31.823 0.082 0.000 0.698 525 V HN 0.344 nan 8.190 nan 0.000 0.477 526 D N -0.621 119.822 120.400 0.071 0.000 2.402 526 D HA 0.116 4.747 4.640 -0.015 0.000 0.216 526 D C 0.250 176.591 176.300 0.068 0.000 1.128 526 D CA -0.038 53.994 54.000 0.054 0.000 0.833 526 D CB 0.177 40.987 40.800 0.017 0.000 0.971 526 D HN 0.421 nan 8.370 nan 0.000 0.503 527 D N 1.516 121.989 120.400 0.121 0.000 2.336 527 D HA -0.016 4.615 4.640 -0.015 0.000 0.249 527 D C 1.112 177.516 176.300 0.173 0.000 1.213 527 D CA -0.008 54.084 54.000 0.153 0.000 0.870 527 D CB 1.625 42.575 40.800 0.250 0.000 1.076 527 D HN -0.170 nan 8.370 nan 0.000 0.483 528 E N 3.075 123.341 120.200 0.112 0.000 2.150 528 E HA -0.118 4.223 4.350 -0.015 0.000 0.193 528 E C 1.707 178.362 176.600 0.092 0.000 0.985 528 E CA 1.214 57.665 56.400 0.085 0.000 0.814 528 E CB 0.068 29.800 29.700 0.053 0.000 0.752 528 E HN 0.582 nan 8.360 nan 0.000 0.466 529 A N -0.318 122.573 122.820 0.119 0.000 1.872 529 A HA -0.110 4.201 4.320 -0.015 0.000 0.214 529 A C 2.170 179.840 177.584 0.144 0.000 1.187 529 A CA 1.154 53.258 52.037 0.112 0.000 0.614 529 A CB -0.905 18.163 19.000 0.114 0.000 0.826 529 A HN 0.434 nan 8.150 nan 0.000 0.442 530 F N 0.512 120.485 119.950 0.039 0.000 2.102 530 F HA -0.178 4.340 4.527 -0.014 0.000 0.298 530 F C 2.044 177.854 175.800 0.017 0.000 1.105 530 F CA 1.757 59.767 58.000 0.018 0.000 1.239 530 F CB -0.153 38.875 39.000 0.047 0.000 0.991 530 F HN 0.169 nan 8.300 nan 0.000 0.474 531 I N 0.336 120.942 120.570 0.060 0.000 2.151 531 I HA -0.393 3.768 4.170 -0.015 0.000 0.243 531 I C 2.617 178.683 176.117 -0.085 0.000 1.080 531 I CA 1.925 63.205 61.300 -0.034 0.000 1.339 531 I CB -0.553 37.473 38.000 0.044 0.000 1.039 531 I HN 0.129 nan 8.210 nan 0.000 0.409 532 R N 0.793 121.268 120.500 -0.042 0.000 2.081 532 R HA -0.195 4.135 4.340 -0.015 0.000 0.235 532 R C 1.862 178.113 176.300 -0.083 0.000 1.131 532 R CA 1.971 58.043 56.100 -0.046 0.000 0.960 532 R CB -0.171 30.121 30.300 -0.014 0.000 0.856 532 R HN 0.296 nan 8.270 nan 0.000 0.436 533 D N -0.157 120.173 120.400 -0.116 0.000 2.117 533 D HA -0.109 4.522 4.640 -0.015 0.000 0.198 533 D C 1.975 178.145 176.300 -0.216 0.000 0.982 533 D CA 1.171 55.086 54.000 -0.141 0.000 0.828 533 D CB -0.154 40.575 40.800 -0.118 0.000 0.967 533 D HN 0.084 nan 8.370 nan 0.000 0.464 534 V N 1.516 121.207 119.914 -0.371 0.000 2.287 534 V HA -0.262 3.849 4.120 -0.015 0.000 0.248 534 V C 2.520 178.520 176.094 -0.158 0.000 1.053 534 V CA 1.966 64.062 62.300 -0.340 0.000 1.027 534 V CB -0.792 30.752 31.823 -0.465 0.000 0.646 534 V HN 0.192 nan 8.190 nan 0.000 0.447 535 A N -0.697 122.051 122.820 -0.119 0.000 1.969 535 A HA -0.236 4.075 4.320 -0.015 0.000 0.218 535 A C 2.351 179.899 177.584 -0.061 0.000 1.169 535 A CA 2.017 54.017 52.037 -0.061 0.000 0.635 535 A CB -0.441 18.528 19.000 -0.051 0.000 0.810 535 A HN 0.529 nan 8.150 nan 0.000 0.445 536 K N -0.206 120.153 120.400 -0.069 0.000 2.025 536 K HA -0.070 4.241 4.320 -0.015 0.000 0.207 536 K C 1.817 178.390 176.600 -0.045 0.000 1.049 536 K CA 1.496 57.751 56.287 -0.053 0.000 0.933 536 K CB -0.240 32.231 32.500 -0.048 0.000 0.714 536 K HN 0.227 nan 8.250 nan 0.000 0.438 537 V N 1.792 121.673 119.914 -0.055 0.000 2.343 537 V HA -0.246 3.864 4.120 -0.015 0.000 0.247 537 V C 2.373 178.451 176.094 -0.026 0.000 1.051 537 V CA 1.962 64.238 62.300 -0.039 0.000 1.036 537 V CB -0.457 31.335 31.823 -0.051 0.000 0.654 537 V HN 0.342 nan 8.190 nan 0.000 0.451 538 K N 0.432 120.814 120.400 -0.029 0.000 2.026 538 K HA -0.220 4.091 4.320 -0.015 0.000 0.208 538 K C 2.184 178.759 176.600 -0.042 0.000 1.048 538 K CA 1.758 58.035 56.287 -0.017 0.000 0.929 538 K CB -0.524 31.982 32.500 0.008 0.000 0.713 538 K HN 0.363 nan 8.250 nan 0.000 0.439 539 Q N 1.031 120.800 119.800 -0.052 0.000 2.096 539 Q HA -0.136 4.194 4.340 -0.015 0.000 0.204 539 Q C 1.716 177.697 176.000 -0.032 0.000 0.982 539 Q CA 2.048 57.812 55.803 -0.064 0.000 0.850 539 Q CB -0.116 28.588 28.738 -0.057 0.000 0.901 539 Q HN 0.504 nan 8.270 nan 0.000 0.422 540 E N -0.497 119.696 120.200 -0.013 0.000 2.058 540 E HA -0.184 4.156 4.350 -0.015 0.000 0.194 540 E C 1.791 178.413 176.600 0.037 0.000 0.997 540 E CA 1.090 57.497 56.400 0.012 0.000 0.801 540 E CB -0.126 29.579 29.700 0.007 0.000 0.746 540 E HN 0.411 nan 8.360 nan 0.000 0.450 541 N N 0.997 119.715 118.700 0.032 0.000 2.104 541 N HA -0.150 4.581 4.740 -0.015 0.000 0.190 541 N C 1.553 177.138 175.510 0.126 0.000 1.024 541 N CA 1.127 54.216 53.050 0.064 0.000 0.853 541 N CB -0.134 38.374 38.487 0.036 0.000 1.008 541 N HN 0.140 nan 8.380 nan 0.000 0.424 542 K N 0.525 120.960 120.400 0.058 0.000 2.057 542 K HA 0.011 4.322 4.320 -0.015 0.000 0.206 542 K C 2.144 178.866 176.600 0.203 0.000 1.050 542 K CA 0.645 56.974 56.287 0.070 0.000 0.935 542 K CB -0.177 32.099 32.500 -0.374 0.000 0.715 542 K HN 0.094 nan 8.250 nan 0.000 0.439 543 L N 1.287 122.576 121.223 0.110 0.000 2.017 543 L HA -0.209 4.121 4.340 -0.015 0.000 0.208 543 L C 2.630 179.596 176.870 0.161 0.000 1.073 543 L CA 1.382 56.296 54.840 0.123 0.000 0.745 543 L CB -0.354 41.747 42.059 0.069 0.000 0.894 543 L HN 0.157 nan 8.230 nan 0.000 0.432 544 K N -0.334 120.163 120.400 0.161 0.000 2.063 544 K HA -0.250 4.061 4.320 -0.015 0.000 0.208 544 K C 2.196 178.947 176.600 0.252 0.000 1.048 544 K CA 1.767 58.158 56.287 0.173 0.000 0.928 544 K CB -0.177 32.410 32.500 0.144 0.000 0.713 544 K HN 0.111 nan 8.250 nan 0.000 0.442 545 F N 0.982 121.033 119.950 0.167 0.000 2.259 545 F HA -0.003 4.515 4.527 -0.015 0.000 0.298 545 F C 1.980 177.935 175.800 0.258 0.000 1.088 545 F CA 1.060 59.186 58.000 0.210 0.000 1.358 545 F CB -0.272 38.852 39.000 0.207 0.000 1.040 545 F HN 0.068 nan 8.300 nan 0.000 0.505 546 A N 0.142 123.126 122.820 0.274 0.000 1.933 546 A HA -0.038 4.273 4.320 -0.015 0.000 0.218 546 A C 2.371 179.988 177.584 0.056 0.000 1.175 546 A CA 1.623 53.755 52.037 0.159 0.000 0.628 546 A CB -1.382 17.774 19.000 0.259 0.000 0.814 546 A HN 0.428 nan 8.150 nan 0.000 0.444 547 A N -1.632 121.240 122.820 0.086 0.000 1.929 547 A HA -0.026 4.284 4.320 -0.015 0.000 0.216 547 A C 2.087 179.687 177.584 0.026 0.000 1.176 547 A CA 1.397 53.469 52.037 0.057 0.000 0.628 547 A CB -0.771 18.277 19.000 0.080 0.000 0.816 547 A HN 0.712 nan 8.150 nan 0.000 0.444 548 Y N 0.704 120.949 120.300 -0.092 0.000 2.165 548 Y HA -0.205 4.336 4.550 -0.015 0.000 0.286 548 Y C 1.907 177.719 175.900 -0.147 0.000 1.155 548 Y CA 1.965 59.990 58.100 -0.124 0.000 1.164 548 Y CB -0.225 38.144 38.460 -0.152 0.000 0.978 548 Y HN 0.217 nan 8.280 nan 0.000 0.513 549 L N -0.064 121.031 121.223 -0.214 0.000 2.083 549 L HA -0.190 4.141 4.340 -0.015 0.000 0.209 549 L C 2.394 179.177 176.870 -0.145 0.000 1.083 549 L CA 1.549 56.272 54.840 -0.195 0.000 0.752 549 L CB -0.499 41.422 42.059 -0.231 0.000 0.899 549 L HN 0.342 nan 8.230 nan 0.000 0.433 550 E N -0.077 120.041 120.200 -0.136 0.000 2.028 550 E HA -0.159 4.182 4.350 -0.015 0.000 0.190 550 E C 2.330 178.840 176.600 -0.150 0.000 0.984 550 E CA 0.712 57.037 56.400 -0.126 0.000 0.800 550 E CB 0.008 29.670 29.700 -0.063 0.000 0.758 550 E HN 0.381 nan 8.360 nan 0.000 0.448 551 R N 0.467 120.869 120.500 -0.163 0.000 2.127 551 R HA -0.159 4.172 4.340 -0.015 0.000 0.238 551 R C 1.715 177.844 176.300 -0.284 0.000 1.134 551 R CA 1.219 57.212 56.100 -0.178 0.000 0.975 551 R CB 0.020 30.237 30.300 -0.139 0.000 0.865 551 R HN 0.044 nan 8.270 nan 0.000 0.447 552 E N -2.119 117.805 120.200 -0.459 0.000 2.465 552 E HA 0.059 4.400 4.350 -0.015 0.000 0.209 552 E C -0.147 175.900 176.600 -0.921 0.000 0.951 552 E CA 0.325 56.288 56.400 -0.727 0.000 0.997 552 E CB 0.677 29.733 29.700 -1.074 0.000 1.025 552 E HN 0.246 nan 8.360 nan 0.000 0.500 553 Y N -0.423 119.725 120.300 -0.253 0.000 2.791 553 Y HA 0.275 4.816 4.550 -0.016 0.000 0.263 553 Y C -0.246 175.558 175.900 -0.159 0.000 1.089 553 Y CA -0.707 57.290 58.100 -0.172 0.000 1.253 553 Y CB 0.885 39.249 38.460 -0.160 0.000 1.360 553 Y HN -0.272 nan 8.280 nan 0.000 0.569 554 K N 0.924 121.273 120.400 -0.086 0.000 3.278 554 K HA -0.133 4.178 4.320 -0.015 0.000 0.270 554 K C -0.568 175.881 176.600 -0.251 0.000 0.955 554 K CA 0.892 57.092 56.287 -0.145 0.000 0.723 554 K CB -2.073 30.370 32.500 -0.094 0.000 1.382 554 K HN 0.278 nan 8.250 nan 0.000 0.461 555 V N -2.222 117.534 119.914 -0.264 0.000 2.604 555 V HA 0.523 4.634 4.120 -0.015 0.000 0.305 555 V C 0.095 175.986 176.094 -0.337 0.000 1.043 555 V CA -1.098 61.009 62.300 -0.321 0.000 0.888 555 V CB 1.751 33.490 31.823 -0.140 0.000 0.995 555 V HN 0.322 nan 8.190 nan 0.000 0.429 556 H N 5.131 124.191 119.070 -0.016 0.000 2.604 556 H HA 0.777 5.323 4.556 -0.016 0.000 0.306 556 H C 0.062 175.381 175.328 -0.015 0.000 1.075 556 H CA -0.205 55.838 56.048 -0.010 0.000 1.357 556 H CB 1.301 31.061 29.762 -0.005 0.000 1.426 556 H HN 0.935 nan 8.280 nan 0.000 0.470 557 I N -0.421 120.212 120.570 0.105 0.000 2.785 557 I HA 0.463 4.624 4.170 -0.015 0.000 0.302 557 I C -0.540 175.658 176.117 0.136 0.000 1.069 557 I CA -1.368 59.982 61.300 0.082 0.000 1.045 557 I CB 2.264 40.274 38.000 0.016 0.000 1.236 557 I HN 0.339 nan 8.210 nan 0.000 0.429 558 N N 5.081 123.867 118.700 0.143 0.000 2.406 558 N HA 0.412 5.142 4.740 -0.015 0.000 0.251 558 N C -2.024 173.637 175.510 0.252 0.000 1.069 558 N CA -2.406 50.736 53.050 0.154 0.000 0.947 558 N CB 1.072 39.620 38.487 0.101 0.000 1.111 558 N HN 0.388 nan 8.380 nan 0.000 0.497 559 P HA 0.055 nan 4.420 nan 0.000 0.237 559 P C -0.105 177.182 177.300 -0.022 0.000 1.178 559 P CA 0.914 64.103 63.100 0.147 0.000 0.766 559 P CB 0.227 31.989 31.700 0.103 0.000 0.876 560 N N -1.124 117.599 118.700 0.039 0.000 2.373 560 N HA -0.007 4.724 4.740 -0.015 0.000 0.181 560 N C 0.451 175.996 175.510 0.057 0.000 1.082 560 N CA -0.044 53.018 53.050 0.020 0.000 0.885 560 N CB -0.006 38.502 38.487 0.034 0.000 0.977 560 N HN 0.136 nan 8.380 nan 0.000 0.462 561 S N 0.242 115.994 115.700 0.086 0.000 2.614 561 S HA 0.158 4.619 4.470 -0.015 0.000 0.265 561 S C 0.087 174.672 174.600 -0.025 0.000 1.303 561 S CA -0.876 57.363 58.200 0.065 0.000 1.000 561 S CB 0.968 64.234 63.200 0.109 0.000 0.935 561 S HN 0.188 nan 8.310 nan 0.000 0.551 562 L N 1.937 122.985 121.223 -0.292 0.000 2.418 562 L HA 0.352 4.683 4.340 -0.015 0.000 0.274 562 L C -0.829 176.030 176.870 -0.020 0.000 1.135 562 L CA -0.488 53.995 54.840 -0.595 0.000 0.870 562 L CB -0.198 41.231 42.059 -1.051 0.000 1.154 562 L HN 0.704 nan 8.230 nan 0.000 0.462 563 F N 4.263 124.084 119.950 -0.215 0.000 2.423 563 F HA 0.096 4.614 4.527 -0.014 0.000 0.356 563 F C 0.441 176.179 175.800 -0.103 0.000 1.170 563 F CA -0.803 57.139 58.000 -0.097 0.000 1.163 563 F CB 0.470 39.459 39.000 -0.017 0.000 1.318 563 F HN 0.519 nan 8.300 nan 0.000 0.569 564 D N 4.812 125.214 120.400 0.004 0.000 2.396 564 D HA 0.216 4.847 4.640 -0.015 0.000 0.225 564 D C -1.043 175.202 176.300 -0.091 0.000 1.121 564 D CA -0.058 53.903 54.000 -0.065 0.000 0.853 564 D CB 1.408 42.153 40.800 -0.091 0.000 1.043 564 D HN 0.263 nan 8.370 nan 0.000 0.500 565 V N 3.261 123.106 119.914 -0.116 0.000 2.540 565 V HA 0.531 4.642 4.120 -0.015 0.000 0.302 565 V C -1.330 174.623 176.094 -0.235 0.000 1.035 565 V CA -0.662 61.553 62.300 -0.141 0.000 0.873 565 V CB 1.806 33.602 31.823 -0.044 0.000 0.992 565 V HN 0.535 nan 8.190 nan 0.000 0.428 566 Q N 4.856 124.535 119.800 -0.202 0.000 2.401 566 Q HA 0.653 4.984 4.340 -0.015 0.000 0.260 566 Q C -1.384 174.462 176.000 -0.258 0.000 1.034 566 Q CA -0.631 55.038 55.803 -0.223 0.000 0.737 566 Q CB 1.808 30.442 28.738 -0.174 0.000 1.227 566 Q HN 1.087 nan 8.270 nan 0.000 0.488 567 V N 2.135 121.886 119.914 -0.272 0.000 2.487 567 V HA 0.872 4.983 4.120 -0.015 0.000 0.298 567 V C -0.837 174.990 176.094 -0.444 0.000 1.028 567 V CA -0.571 61.389 62.300 -0.566 0.000 0.860 567 V CB 1.352 32.613 31.823 -0.938 0.000 0.991 567 V HN 0.807 nan 8.190 nan 0.000 0.427 568 K N 2.706 122.872 120.400 -0.389 0.000 3.191 568 K HA 0.310 4.621 4.320 -0.015 0.000 0.325 568 K C -1.379 175.214 176.600 -0.012 0.000 1.105 568 K CA -1.001 55.244 56.287 -0.070 0.000 0.843 568 K CB 0.866 33.324 32.500 -0.070 0.000 1.452 568 K HN 0.533 nan 8.250 nan 0.000 0.393 569 R N 0.963 121.509 120.500 0.077 0.000 2.640 569 R HA 0.164 4.495 4.340 -0.015 0.000 0.270 569 R C 0.432 176.753 176.300 0.036 0.000 1.024 569 R CA -0.305 55.854 56.100 0.098 0.000 1.085 569 R CB -0.217 30.170 30.300 0.146 0.000 0.963 569 R HN 0.452 nan 8.270 nan 0.000 0.426 570 I N 4.149 124.747 120.570 0.046 0.000 2.452 570 I HA 0.094 4.255 4.170 -0.015 0.000 0.287 570 I C 0.785 176.874 176.117 -0.046 0.000 1.079 570 I CA 0.577 61.855 61.300 -0.036 0.000 1.387 570 I CB -0.350 37.613 38.000 -0.062 0.000 1.404 570 I HN 0.350 nan 8.210 nan 0.000 0.522 571 H N 4.994 123.953 119.070 -0.185 0.000 3.046 571 H HA 0.227 4.773 4.556 -0.015 0.000 0.363 571 H C 0.402 175.608 175.328 -0.203 0.000 1.203 571 H CA -0.389 55.593 56.048 -0.111 0.000 1.169 571 H CB 1.916 31.613 29.762 -0.108 0.000 1.851 571 H HN 0.584 nan 8.280 nan 0.000 0.546 572 E N 1.833 122.098 120.200 0.109 0.000 2.118 572 E HA -0.236 4.105 4.350 -0.015 0.000 0.195 572 E C 1.375 177.779 176.600 -0.327 0.000 0.992 572 E CA 1.839 58.267 56.400 0.047 0.000 0.804 572 E CB -0.052 29.840 29.700 0.319 0.000 0.741 572 E HN 0.570 nan 8.360 nan 0.000 0.458 573 Y N 0.784 120.695 120.300 -0.648 0.000 2.352 573 Y HA -0.019 4.521 4.550 -0.016 0.000 0.292 573 Y C 1.492 177.121 175.900 -0.452 0.000 1.136 573 Y CA 0.870 58.303 58.100 -1.111 0.000 1.227 573 Y CB -0.104 37.717 38.460 -1.066 0.000 0.991 573 Y HN -0.210 nan 8.280 nan 0.000 0.545 574 K N 0.716 120.631 120.400 -0.808 0.000 2.432 574 K HA 0.074 4.385 4.320 -0.015 0.000 0.196 574 K C 0.143 176.564 176.600 -0.298 0.000 1.038 574 K CA 0.499 56.434 56.287 -0.587 0.000 0.986 574 K CB -0.041 32.100 32.500 -0.599 0.000 0.782 574 K HN 0.238 nan 8.250 nan 0.000 0.485 575 R N 0.403 120.761 120.500 -0.237 0.000 3.336 575 R HA -0.239 4.092 4.340 -0.015 0.000 0.260 575 R C 0.264 176.485 176.300 -0.131 0.000 1.032 575 R CA 0.240 56.254 56.100 -0.143 0.000 0.693 575 R CB -1.939 28.293 30.300 -0.113 0.000 1.134 575 R HN 0.307 nan 8.270 nan 0.000 0.433 576 Q N 0.337 120.058 119.800 -0.132 0.000 2.248 576 Q HA -0.097 4.233 4.340 -0.015 0.000 0.208 576 Q C 2.030 177.984 176.000 -0.077 0.000 0.984 576 Q CA 1.572 57.313 55.803 -0.103 0.000 0.875 576 Q CB -0.022 28.658 28.738 -0.097 0.000 0.910 576 Q HN 0.591 nan 8.270 nan 0.000 0.433 577 L N -0.706 120.475 121.223 -0.071 0.000 2.093 577 L HA -0.172 4.158 4.340 -0.015 0.000 0.208 577 L C 2.010 178.883 176.870 0.006 0.000 1.085 577 L CA 0.501 55.314 54.840 -0.045 0.000 0.755 577 L CB -0.331 41.710 42.059 -0.029 0.000 0.904 577 L HN 0.305 nan 8.230 nan 0.000 0.435 578 L N 0.030 121.251 121.223 -0.004 0.000 2.046 578 L HA -0.228 4.103 4.340 -0.015 0.000 0.208 578 L C 2.020 178.959 176.870 0.114 0.000 1.077 578 L CA 1.867 56.721 54.840 0.023 0.000 0.747 578 L CB -0.802 41.164 42.059 -0.154 0.000 0.896 578 L HN 0.277 nan 8.230 nan 0.000 0.432 579 N N -1.624 117.107 118.700 0.052 0.000 2.069 579 N HA -0.248 4.483 4.740 -0.015 0.000 0.191 579 N C 1.979 177.575 175.510 0.143 0.000 1.031 579 N CA 1.775 54.929 53.050 0.173 0.000 0.852 579 N CB -0.172 38.344 38.487 0.050 0.000 1.018 579 N HN 0.492 nan 8.380 nan 0.000 0.423 580 C N 0.604 119.922 119.300 0.030 0.000 2.401 580 C HA -0.124 4.327 4.460 -0.015 0.000 0.276 580 C C 2.600 177.581 174.990 -0.015 0.000 1.233 580 C CA 0.514 59.502 59.018 -0.049 0.000 1.753 580 C CB -1.318 26.342 27.740 -0.133 0.000 2.029 580 C HN 0.508 nan 8.230 nan 0.000 0.478 581 L N -0.575 120.700 121.223 0.087 0.000 2.083 581 L HA -0.185 4.145 4.340 -0.015 0.000 0.209 581 L C 2.761 179.777 176.870 0.243 0.000 1.083 581 L CA 1.759 56.693 54.840 0.156 0.000 0.752 581 L CB -1.029 41.184 42.059 0.256 0.000 0.899 581 L HN 0.591 nan 8.230 nan 0.000 0.433 582 H N -0.028 119.144 119.070 0.170 0.000 2.326 582 H HA -0.136 4.411 4.556 -0.015 0.000 0.301 582 H C 2.254 177.568 175.328 -0.023 0.000 1.081 582 H CA 1.891 57.953 56.048 0.023 0.000 1.334 582 H CB 0.301 29.990 29.762 -0.121 0.000 1.385 582 H HN 0.081 nan 8.280 nan 0.000 0.504 583 V N 1.646 121.486 119.914 -0.123 0.000 2.282 583 V HA -0.300 3.810 4.120 -0.015 0.000 0.249 583 V C 2.848 178.874 176.094 -0.113 0.000 1.057 583 V CA 2.090 64.285 62.300 -0.175 0.000 1.032 583 V CB -0.557 31.206 31.823 -0.101 0.000 0.645 583 V HN 0.393 nan 8.190 nan 0.000 0.447 584 I N -0.295 120.242 120.570 -0.054 0.000 2.315 584 I HA -0.216 3.944 4.170 -0.015 0.000 0.248 584 I C 2.499 178.665 176.117 0.082 0.000 1.117 584 I CA 1.723 63.057 61.300 0.057 0.000 1.404 584 I CB -0.717 37.289 38.000 0.010 0.000 1.071 584 I HN 0.330 nan 8.210 nan 0.000 0.419 585 T N 1.243 115.803 114.554 0.010 0.000 2.684 585 T HA -0.166 4.175 4.350 -0.015 0.000 0.267 585 T C 1.877 176.525 174.700 -0.087 0.000 1.036 585 T CA 1.278 63.374 62.100 -0.005 0.000 1.148 585 T CB -0.277 68.616 68.868 0.042 0.000 0.863 585 T HN 0.084 nan 8.240 nan 0.000 0.436 586 L N 0.034 121.135 121.223 -0.203 0.000 2.046 586 L HA -0.006 4.325 4.340 -0.015 0.000 0.208 586 L C 2.104 178.931 176.870 -0.073 0.000 1.077 586 L CA 1.540 56.259 54.840 -0.202 0.000 0.747 586 L CB -1.030 40.835 42.059 -0.324 0.000 0.896 586 L HN 0.362 nan 8.230 nan 0.000 0.432 587 Y N 0.241 120.474 120.300 -0.111 0.000 2.145 587 Y HA -0.294 4.246 4.550 -0.016 0.000 0.286 587 Y C 2.438 178.317 175.900 -0.036 0.000 1.145 587 Y CA 1.869 59.944 58.100 -0.042 0.000 1.148 587 Y CB -0.108 38.372 38.460 0.034 0.000 0.981 587 Y HN 0.271 nan 8.280 nan 0.000 0.507 588 N N 0.471 119.114 118.700 -0.094 0.000 2.166 588 N HA -0.144 4.587 4.740 -0.015 0.000 0.186 588 N C 1.806 177.201 175.510 -0.193 0.000 1.019 588 N CA 1.488 54.423 53.050 -0.191 0.000 0.856 588 N CB -0.352 38.087 38.487 -0.079 0.000 0.993 588 N HN 0.450 nan 8.380 nan 0.000 0.426 589 R N 0.265 120.679 120.500 -0.143 0.000 2.092 589 R HA 0.095 4.426 4.340 -0.015 0.000 0.231 589 R C 2.162 178.376 176.300 -0.144 0.000 1.119 589 R CA 0.660 56.684 56.100 -0.126 0.000 0.970 589 R CB -0.171 30.066 30.300 -0.105 0.000 0.864 589 R HN 0.241 nan 8.270 nan 0.000 0.440 590 I N 0.894 121.357 120.570 -0.178 0.000 2.202 590 I HA -0.253 3.907 4.170 -0.015 0.000 0.242 590 I C 2.042 178.040 176.117 -0.199 0.000 1.091 590 I CA 1.146 62.342 61.300 -0.174 0.000 1.368 590 I CB -0.154 37.748 38.000 -0.162 0.000 1.058 590 I HN -0.009 nan 8.210 nan 0.000 0.410 591 K N 0.912 121.127 120.400 -0.309 0.000 2.211 591 K HA -0.210 4.101 4.320 -0.015 0.000 0.204 591 K C 1.993 178.492 176.600 -0.168 0.000 1.047 591 K CA 1.225 57.346 56.287 -0.277 0.000 0.935 591 K CB -0.314 31.942 32.500 -0.406 0.000 0.728 591 K HN 0.345 nan 8.250 nan 0.000 0.452 592 K N 1.084 121.392 120.400 -0.153 0.000 2.076 592 K HA -0.061 4.250 4.320 -0.015 0.000 0.204 592 K C 0.037 176.589 176.600 -0.079 0.000 1.051 592 K CA 0.955 57.179 56.287 -0.105 0.000 0.949 592 K CB 0.377 32.819 32.500 -0.097 0.000 0.726 592 K HN 0.044 nan 8.250 nan 0.000 0.443 593 E N 0.392 120.544 120.200 -0.081 0.000 3.037 593 E HA 0.123 4.464 4.350 -0.015 0.000 0.220 593 E C -2.317 174.247 176.600 -0.058 0.000 1.142 593 E CA -1.678 54.687 56.400 -0.058 0.000 0.888 593 E CB 1.722 31.395 29.700 -0.046 0.000 1.329 593 E HN 0.142 nan 8.360 nan 0.000 0.409 594 P HA -0.131 nan 4.420 nan 0.000 0.217 594 P C 0.228 177.509 177.300 -0.031 0.000 1.150 594 P CA 1.178 64.246 63.100 -0.053 0.000 0.832 594 P CB 0.212 31.885 31.700 -0.045 0.000 0.787 595 N N -1.176 117.514 118.700 -0.016 0.000 2.276 595 N HA 0.025 4.755 4.740 -0.015 0.000 0.212 595 N C 0.444 175.968 175.510 0.023 0.000 1.127 595 N CA -0.060 52.993 53.050 0.005 0.000 0.834 595 N CB 0.062 38.552 38.487 0.005 0.000 1.014 595 N HN -0.004 nan 8.380 nan 0.000 0.491 596 K N 1.054 121.462 120.400 0.014 0.000 2.130 596 K HA 0.172 4.483 4.320 -0.015 0.000 0.268 596 K C -0.932 175.707 176.600 0.065 0.000 0.983 596 K CA -0.600 55.711 56.287 0.039 0.000 0.893 596 K CB 0.747 33.250 32.500 0.006 0.000 1.066 596 K HN -0.035 nan 8.250 nan 0.000 0.450 597 F N 4.383 124.319 119.950 -0.024 0.000 2.456 597 F HA 0.228 4.746 4.527 -0.015 0.000 0.358 597 F C -0.381 175.403 175.800 -0.025 0.000 1.095 597 F CA -0.189 57.798 58.000 -0.022 0.000 1.216 597 F CB 0.637 39.627 39.000 -0.017 0.000 1.125 597 F HN 0.171 nan 8.300 nan 0.000 0.549 598 V N 4.158 123.526 119.914 -0.910 0.000 2.876 598 V HA 0.534 4.644 4.120 -0.015 0.000 0.312 598 V C -0.707 174.750 176.094 -1.062 0.000 1.085 598 V CA -1.236 60.620 62.300 -0.740 0.000 0.945 598 V CB 0.971 32.577 31.823 -0.362 0.000 1.017 598 V HN 0.589 nan 8.190 nan 0.000 0.428 599 V N 4.850 124.414 119.914 -0.584 0.000 2.493 599 V HA 0.180 4.290 4.120 -0.015 0.000 0.292 599 V C -1.804 174.123 176.094 -0.279 0.000 1.016 599 V CA -0.345 61.764 62.300 -0.318 0.000 1.097 599 V CB 0.358 32.127 31.823 -0.090 0.000 0.947 599 V HN 0.907 nan 8.190 nan 0.000 0.479 600 P HA 0.356 nan 4.420 nan 0.000 0.271 600 P C -0.448 176.767 177.300 -0.142 0.000 1.216 600 P CA -0.147 62.864 63.100 -0.148 0.000 0.776 600 P CB 0.574 32.234 31.700 -0.066 0.000 0.881 601 R N 0.957 121.385 120.500 -0.120 0.000 2.686 601 R HA 0.531 4.862 4.340 -0.015 0.000 0.283 601 R C -0.729 175.534 176.300 -0.061 0.000 0.978 601 R CA -0.600 55.432 56.100 -0.113 0.000 0.897 601 R CB 1.905 32.123 30.300 -0.137 0.000 1.192 601 R HN 0.316 nan 8.270 nan 0.000 0.457 602 T N 2.323 116.858 114.554 -0.032 0.000 2.770 602 T HA 0.227 4.568 4.350 -0.015 0.000 0.297 602 T C -0.215 174.403 174.700 -0.137 0.000 0.997 602 T CA -0.483 61.556 62.100 -0.103 0.000 0.949 602 T CB 1.050 69.787 68.868 -0.218 0.000 0.941 602 T HN 0.135 nan 8.240 nan 0.000 0.457 603 V N 6.009 125.851 119.914 -0.119 0.000 2.385 603 V HA 0.381 4.492 4.120 -0.015 0.000 0.269 603 V C 0.112 176.132 176.094 -0.124 0.000 1.043 603 V CA -0.364 61.871 62.300 -0.108 0.000 0.906 603 V CB 0.446 32.221 31.823 -0.080 0.000 0.995 603 V HN 0.859 nan 8.190 nan 0.000 0.467 604 M N 6.761 126.277 119.600 -0.140 0.000 2.227 604 M HA 0.616 5.086 4.480 -0.015 0.000 0.335 604 M C -0.963 175.237 176.300 -0.167 0.000 1.053 604 M CA -0.145 55.065 55.300 -0.151 0.000 0.973 604 M CB 1.950 34.456 32.600 -0.156 0.000 1.623 604 M HN 0.412 nan 8.290 nan 0.000 0.434 605 I N 1.943 122.399 120.570 -0.190 0.000 2.498 605 I HA 0.825 4.986 4.170 -0.015 0.000 0.290 605 I C 0.066 175.885 176.117 -0.497 0.000 1.032 605 I CA -0.608 60.555 61.300 -0.228 0.000 1.073 605 I CB 2.273 40.225 38.000 -0.080 0.000 1.251 605 I HN 0.812 nan 8.210 nan 0.000 0.426 606 G N 2.981 111.448 108.800 -0.556 0.000 2.690 606 G HA2 0.850 4.801 3.960 -0.015 0.000 0.291 606 G HA3 0.850 4.801 3.960 -0.015 0.000 0.291 606 G C -0.970 173.647 174.900 -0.471 0.000 1.403 606 G CA -0.730 43.890 45.100 -0.801 0.000 0.864 606 G HN 0.995 nan 8.290 nan 0.000 0.480 607 G N -0.571 108.096 108.800 -0.223 0.000 2.337 607 G HA2 0.380 4.331 3.960 -0.015 0.000 0.310 607 G HA3 0.380 4.331 3.960 -0.015 0.000 0.310 607 G C -1.293 173.741 174.900 0.224 0.000 1.534 607 G CA -1.033 44.108 45.100 0.068 0.000 0.982 607 G HN 0.602 nan 8.290 nan 0.000 0.672 608 K N -0.058 120.472 120.400 0.216 0.000 2.110 608 K HA 0.735 5.045 4.320 -0.015 0.000 0.263 608 K C 0.331 177.075 176.600 0.240 0.000 0.975 608 K CA -0.114 56.321 56.287 0.248 0.000 0.895 608 K CB 1.978 34.533 32.500 0.093 0.000 1.060 608 K HN 0.894 nan 8.250 nan 0.000 0.448 609 A N 1.614 124.601 122.820 0.278 0.000 2.305 609 A HA 0.610 4.921 4.320 -0.015 0.000 0.322 609 A C -0.333 177.435 177.584 0.307 0.000 1.187 609 A CA -0.700 51.447 52.037 0.183 0.000 0.825 609 A CB 0.877 19.900 19.000 0.037 0.000 1.164 609 A HN 0.789 nan 8.150 nan 0.000 0.498 610 A N 3.760 126.750 122.820 0.284 0.000 2.540 610 A HA 0.444 4.755 4.320 -0.015 0.000 0.239 610 A C -1.369 176.304 177.584 0.148 0.000 1.061 610 A CA -0.713 51.490 52.037 0.277 0.000 0.758 610 A CB -0.361 18.786 19.000 0.244 0.000 0.991 610 A HN 0.607 nan 8.150 nan 0.000 0.502 611 P HA -0.135 nan 4.420 nan 0.000 0.217 611 P C 1.335 178.625 177.300 -0.016 0.000 1.148 611 P CA 1.972 65.013 63.100 -0.099 0.000 0.828 611 P CB 0.206 31.791 31.700 -0.192 0.000 0.783 612 G N -3.038 105.778 108.800 0.026 0.000 3.088 612 G HA2 -0.088 3.863 3.960 -0.015 0.000 0.217 612 G HA3 -0.088 3.863 3.960 -0.015 0.000 0.217 612 G C -0.131 174.810 174.900 0.069 0.000 1.159 612 G CA -0.129 44.989 45.100 0.030 0.000 0.760 612 G HN 0.304 nan 8.290 nan 0.000 0.550 613 Y N 1.791 122.042 120.300 -0.082 0.000 2.627 613 Y HA 0.178 4.719 4.550 -0.015 0.000 0.347 613 Y C 1.657 177.542 175.900 -0.025 0.000 1.099 613 Y CA -1.015 57.015 58.100 -0.116 0.000 1.408 613 Y CB 0.127 38.486 38.460 -0.169 0.000 1.247 613 Y HN 0.284 nan 8.280 nan 0.000 0.506 614 H N 4.279 123.478 119.070 0.215 0.000 2.319 614 H HA -0.209 4.338 4.556 -0.015 0.000 0.299 614 H C 1.799 177.172 175.328 0.075 0.000 1.092 614 H CA 2.246 58.362 56.048 0.114 0.000 1.302 614 H CB 0.384 30.201 29.762 0.093 0.000 1.373 614 H HN 0.734 nan 8.280 nan 0.000 0.497 615 M N 1.045 120.676 119.600 0.053 0.000 2.117 615 M HA -0.078 4.393 4.480 -0.015 0.000 0.262 615 M C 2.560 178.652 176.300 -0.346 0.000 1.065 615 M CA 1.855 57.095 55.300 -0.100 0.000 1.114 615 M CB -0.725 31.949 32.600 0.123 0.000 1.361 615 M HN 0.330 nan 8.290 nan 0.000 0.408 616 A N -0.441 121.934 122.820 -0.742 0.000 1.933 616 A HA -0.194 4.117 4.320 -0.015 0.000 0.218 616 A C 2.196 179.576 177.584 -0.341 0.000 1.175 616 A CA 1.859 53.468 52.037 -0.715 0.000 0.628 616 A CB -0.662 17.663 19.000 -1.126 0.000 0.814 616 A HN 0.588 nan 8.150 nan 0.000 0.444 617 K N -1.186 119.068 120.400 -0.242 0.000 2.097 617 K HA -0.050 4.261 4.320 -0.015 0.000 0.205 617 K C 1.921 178.463 176.600 -0.097 0.000 1.050 617 K CA 1.237 57.465 56.287 -0.100 0.000 0.938 617 K CB -0.212 32.292 32.500 0.007 0.000 0.718 617 K HN 0.337 nan 8.250 nan 0.000 0.442 618 M N 0.549 120.049 119.600 -0.166 0.000 2.175 618 M HA -0.085 4.386 4.480 -0.015 0.000 0.264 618 M C 2.091 178.327 176.300 -0.107 0.000 1.063 618 M CA 1.404 56.642 55.300 -0.105 0.000 1.119 618 M CB -0.624 31.902 32.600 -0.122 0.000 1.377 618 M HN 0.124 nan 8.290 nan 0.000 0.415 619 I N -0.292 120.179 120.570 -0.165 0.000 2.252 619 I HA -0.295 3.866 4.170 -0.015 0.000 0.245 619 I C 2.277 178.266 176.117 -0.213 0.000 1.102 619 I CA 1.007 62.202 61.300 -0.177 0.000 1.385 619 I CB -0.308 37.586 38.000 -0.178 0.000 1.064 619 I HN 0.166 nan 8.210 nan 0.000 0.414 620 I N 0.730 121.150 120.570 -0.250 0.000 2.163 620 I HA -0.321 3.840 4.170 -0.015 0.000 0.243 620 I C 2.615 178.446 176.117 -0.475 0.000 1.085 620 I CA 1.334 62.385 61.300 -0.415 0.000 1.347 620 I CB -0.329 37.396 38.000 -0.458 0.000 1.044 620 I HN 0.158 nan 8.210 nan 0.000 0.408 621 K N 1.491 121.625 120.400 -0.443 0.000 2.063 621 K HA -0.162 4.149 4.320 -0.015 0.000 0.208 621 K C 2.042 178.488 176.600 -0.256 0.000 1.048 621 K CA 1.518 57.469 56.287 -0.560 0.000 0.928 621 K CB -0.574 31.313 32.500 -1.021 0.000 0.713 621 K HN 0.235 nan 8.250 nan 0.000 0.442 622 L N 0.378 121.493 121.223 -0.180 0.000 2.012 622 L HA -0.181 4.150 4.340 -0.015 0.000 0.210 622 L C 2.204 178.848 176.870 -0.377 0.000 1.073 622 L CA 1.766 56.337 54.840 -0.447 0.000 0.748 622 L CB -0.305 41.403 42.059 -0.585 0.000 0.891 622 L HN 0.277 nan 8.230 nan 0.000 0.431 623 I N -0.225 120.172 120.570 -0.288 0.000 2.163 623 I HA -0.340 3.821 4.170 -0.015 0.000 0.243 623 I C 2.648 178.663 176.117 -0.171 0.000 1.085 623 I CA 1.946 63.126 61.300 -0.200 0.000 1.347 623 I CB -0.617 37.340 38.000 -0.071 0.000 1.044 623 I HN 0.431 nan 8.210 nan 0.000 0.408 624 T N -0.760 113.664 114.554 -0.215 0.000 2.821 624 T HA -0.087 4.253 4.350 -0.015 0.000 0.267 624 T C 1.995 176.630 174.700 -0.108 0.000 1.046 624 T CA 0.970 62.974 62.100 -0.161 0.000 1.139 624 T CB -0.492 68.235 68.868 -0.235 0.000 0.871 624 T HN 0.339 nan 8.240 nan 0.000 0.454 625 A N 1.548 124.301 122.820 -0.112 0.000 1.902 625 A HA 0.121 4.432 4.320 -0.015 0.000 0.217 625 A C 2.387 179.986 177.584 0.025 0.000 1.181 625 A CA 1.394 53.432 52.037 0.002 0.000 0.623 625 A CB -0.838 18.252 19.000 0.150 0.000 0.818 625 A HN 0.601 nan 8.150 nan 0.000 0.443 626 I N -0.290 120.196 120.570 -0.140 0.000 2.226 626 I HA -0.196 3.965 4.170 -0.015 0.000 0.245 626 I C 2.720 178.798 176.117 -0.065 0.000 1.100 626 I CA 1.115 62.317 61.300 -0.163 0.000 1.374 626 I CB -0.646 37.132 38.000 -0.370 0.000 1.057 626 I HN 0.387 nan 8.210 nan 0.000 0.413 627 G N 0.480 109.236 108.800 -0.073 0.000 2.440 627 G HA2 -0.271 3.680 3.960 -0.015 0.000 0.218 627 G HA3 -0.271 3.680 3.960 -0.015 0.000 0.218 627 G C 1.266 176.166 174.900 -0.000 0.000 1.154 627 G CA 1.079 46.149 45.100 -0.050 0.000 0.767 627 G HN 0.289 nan 8.290 nan 0.000 0.552 628 D N -0.071 120.362 120.400 0.055 0.000 2.178 628 D HA -0.069 4.562 4.640 -0.015 0.000 0.201 628 D C 2.686 179.087 176.300 0.169 0.000 0.980 628 D CA 0.600 54.692 54.000 0.153 0.000 0.842 628 D CB -0.114 40.732 40.800 0.078 0.000 0.948 628 D HN 0.258 nan 8.370 nan 0.000 0.472 629 V N 0.089 120.040 119.914 0.062 0.000 2.331 629 V HA -0.122 3.988 4.120 -0.015 0.000 0.242 629 V C 2.565 178.611 176.094 -0.079 0.000 1.034 629 V CA 0.705 62.987 62.300 -0.030 0.000 1.027 629 V CB -0.173 31.593 31.823 -0.094 0.000 0.667 629 V HN 0.023 nan 8.190 nan 0.000 0.457 630 V N 0.946 120.763 119.914 -0.161 0.000 2.358 630 V HA -0.187 3.924 4.120 -0.015 0.000 0.246 630 V C 2.164 178.222 176.094 -0.060 0.000 1.047 630 V CA 1.981 64.178 62.300 -0.172 0.000 1.035 630 V CB -0.820 30.897 31.823 -0.177 0.000 0.658 630 V HN 0.561 nan 8.190 nan 0.000 0.452 631 N N -0.319 118.302 118.700 -0.132 0.000 2.459 631 N HA -0.084 4.647 4.740 -0.015 0.000 0.181 631 N C 1.256 176.534 175.510 -0.387 0.000 1.046 631 N CA 0.932 53.819 53.050 -0.272 0.000 0.904 631 N CB -0.257 38.001 38.487 -0.382 0.000 0.964 631 N HN 0.679 nan 8.380 nan 0.000 0.444 632 H N -1.430 117.648 119.070 0.015 0.000 2.784 632 H HA 0.205 4.752 4.556 -0.015 0.000 0.273 632 H C -0.473 174.873 175.328 0.030 0.000 1.112 632 H CA -0.469 55.589 56.048 0.018 0.000 1.162 632 H CB 0.603 30.367 29.762 0.003 0.000 1.586 632 H HN -0.013 nan 8.280 nan 0.000 0.548 633 D N 1.720 122.196 120.400 0.127 0.000 2.325 633 D HA 0.035 4.666 4.640 -0.015 0.000 0.251 633 D C -1.623 174.734 176.300 0.095 0.000 1.196 633 D CA -1.986 52.098 54.000 0.140 0.000 0.866 633 D CB 1.697 42.650 40.800 0.254 0.000 1.101 633 D HN 0.113 nan 8.370 nan 0.000 0.476 634 P HA -0.099 nan 4.420 nan 0.000 0.219 634 P C 1.584 178.904 177.300 0.033 0.000 1.150 634 P CA 0.309 63.436 63.100 0.044 0.000 0.814 634 P CB 0.414 32.135 31.700 0.035 0.000 0.787 635 V N -0.473 119.462 119.914 0.035 0.000 2.490 635 V HA -0.171 3.939 4.120 -0.015 0.000 0.250 635 V C 2.437 178.535 176.094 0.007 0.000 1.061 635 V CA 1.514 63.822 62.300 0.012 0.000 1.064 635 V CB -1.057 30.764 31.823 -0.003 0.000 0.670 635 V HN -0.017 nan 8.190 nan 0.000 0.461 636 V N -0.169 119.767 119.914 0.036 0.000 2.358 636 V HA 0.097 4.208 4.120 -0.015 0.000 0.246 636 V C 1.842 177.942 176.094 0.010 0.000 1.047 636 V CA 1.638 63.958 62.300 0.034 0.000 1.035 636 V CB -1.184 30.703 31.823 0.106 0.000 0.658 636 V HN 0.739 nan 8.190 nan 0.000 0.452 637 G N 1.516 110.325 108.800 0.015 0.000 2.536 637 G HA2 -0.351 3.600 3.960 -0.015 0.000 0.280 637 G HA3 -0.351 3.600 3.960 -0.015 0.000 0.280 637 G C 0.277 175.176 174.900 -0.002 0.000 1.152 637 G CA 0.431 45.534 45.100 0.004 0.000 0.970 637 G HN 0.705 nan 8.290 nan 0.000 0.549 638 D N 0.288 120.685 120.400 -0.005 0.000 2.559 638 D HA 0.249 4.880 4.640 -0.015 0.000 0.234 638 D C 1.645 177.936 176.300 -0.014 0.000 1.226 638 D CA -0.120 53.878 54.000 -0.003 0.000 0.830 638 D CB -0.036 40.769 40.800 0.009 0.000 1.028 638 D HN 0.582 nan 8.370 nan 0.000 0.492 639 R N -0.644 119.836 120.500 -0.032 0.000 2.200 639 R HA 0.223 4.554 4.340 -0.015 0.000 0.208 639 R C -0.086 176.171 176.300 -0.071 0.000 1.033 639 R CA 0.252 56.311 56.100 -0.069 0.000 1.000 639 R CB 0.394 30.635 30.300 -0.100 0.000 0.906 639 R HN 0.098 nan 8.270 nan 0.000 0.462 640 L N 0.697 121.896 121.223 -0.041 0.000 2.516 640 L HA 0.389 4.720 4.340 -0.015 0.000 0.267 640 L C -1.547 175.301 176.870 -0.035 0.000 0.957 640 L CA -0.482 54.334 54.840 -0.040 0.000 0.860 640 L CB 1.771 43.820 42.059 -0.017 0.000 1.265 640 L HN -0.183 nan 8.230 nan 0.000 0.403 641 R N 3.900 124.367 120.500 -0.054 0.000 2.628 641 R HA 0.760 5.091 4.340 -0.015 0.000 0.288 641 R C -1.637 174.614 176.300 -0.082 0.000 0.980 641 R CA -0.782 55.278 56.100 -0.067 0.000 0.891 641 R CB 2.413 32.676 30.300 -0.063 0.000 1.188 641 R HN 0.406 nan 8.270 nan 0.000 0.450 642 V N 4.978 124.842 119.914 -0.083 0.000 2.376 642 V HA 0.473 4.584 4.120 -0.015 0.000 0.287 642 V C -0.295 175.760 176.094 -0.065 0.000 1.015 642 V CA -0.705 61.548 62.300 -0.080 0.000 0.834 642 V CB 1.572 33.344 31.823 -0.083 0.000 1.001 642 V HN 0.538 nan 8.190 nan 0.000 0.428 643 I N 4.864 125.394 120.570 -0.066 0.000 2.465 643 I HA 0.436 4.596 4.170 -0.015 0.000 0.291 643 I C -0.611 175.496 176.117 -0.017 0.000 1.014 643 I CA -0.343 60.928 61.300 -0.049 0.000 1.093 643 I CB 1.881 39.827 38.000 -0.090 0.000 1.267 643 I HN 0.550 nan 8.210 nan 0.000 0.431 644 F N 7.149 127.034 119.950 -0.109 0.000 2.404 644 F HA 0.445 4.963 4.527 -0.015 0.000 0.358 644 F C -0.465 175.270 175.800 -0.108 0.000 1.120 644 F CA -0.629 57.309 58.000 -0.104 0.000 1.144 644 F CB 0.599 39.541 39.000 -0.097 0.000 1.133 644 F HN 0.169 nan 8.300 nan 0.000 0.495 645 L N 6.247 127.077 121.223 -0.654 0.000 2.407 645 L HA 0.146 4.477 4.340 -0.015 0.000 0.282 645 L C 0.291 176.875 176.870 -0.477 0.000 1.110 645 L CA 0.160 54.731 54.840 -0.447 0.000 0.863 645 L CB 0.051 41.931 42.059 -0.297 0.000 1.207 645 L HN 0.609 nan 8.230 nan 0.000 0.454 646 E N 3.361 123.429 120.200 -0.221 0.000 2.373 646 E HA -0.016 4.325 4.350 -0.015 0.000 0.267 646 E C 0.514 177.154 176.600 0.068 0.000 1.032 646 E CA -0.221 56.190 56.400 0.020 0.000 0.889 646 E CB 0.327 30.036 29.700 0.014 0.000 0.984 646 E HN 0.541 nan 8.360 nan 0.000 0.425 647 N N 2.437 121.239 118.700 0.170 0.000 2.740 647 N HA -0.279 4.452 4.740 -0.015 0.000 0.248 647 N C -1.527 174.071 175.510 0.145 0.000 1.062 647 N CA 0.553 53.704 53.050 0.168 0.000 0.704 647 N CB -1.692 36.908 38.487 0.189 0.000 0.968 647 N HN 0.505 nan 8.380 nan 0.000 0.547 648 Y N 1.586 121.889 120.300 0.005 0.000 2.717 648 Y HA 0.158 4.698 4.550 -0.016 0.000 0.330 648 Y C 1.139 177.059 175.900 0.032 0.000 1.217 648 Y CA 0.812 58.906 58.100 -0.009 0.000 1.506 648 Y CB 0.314 38.736 38.460 -0.064 0.000 1.268 648 Y HN 0.371 nan 8.280 nan 0.000 0.561 649 R N 2.402 122.538 120.500 -0.607 0.000 2.741 649 R HA 0.386 4.717 4.340 -0.015 0.000 0.274 649 R C -0.597 175.380 176.300 -0.538 0.000 1.029 649 R CA -0.544 55.314 56.100 -0.403 0.000 0.880 649 R CB 0.248 30.506 30.300 -0.071 0.000 1.264 649 R HN 0.367 nan 8.270 nan 0.000 0.465 650 V N 1.135 120.763 119.914 -0.478 0.000 2.282 650 V HA -0.303 3.807 4.120 -0.015 0.000 0.249 650 V C 2.606 178.570 176.094 -0.216 0.000 1.057 650 V CA 2.902 64.974 62.300 -0.381 0.000 1.032 650 V CB -0.858 30.694 31.823 -0.452 0.000 0.645 650 V HN 0.924 nan 8.190 nan 0.000 0.447 651 S N 0.016 115.614 115.700 -0.169 0.000 2.399 651 S HA -0.188 4.273 4.470 -0.015 0.000 0.231 651 S C 1.925 176.475 174.600 -0.083 0.000 1.022 651 S CA 1.739 59.869 58.200 -0.116 0.000 0.983 651 S CB -0.534 62.628 63.200 -0.064 0.000 0.803 651 S HN 0.396 nan 8.310 nan 0.000 0.480 652 L N 1.889 123.070 121.223 -0.070 0.000 2.109 652 L HA 0.330 4.661 4.340 -0.015 0.000 0.207 652 L C 2.694 179.584 176.870 0.033 0.000 1.086 652 L CA 1.370 56.217 54.840 0.011 0.000 0.760 652 L CB -1.260 40.863 42.059 0.106 0.000 0.910 652 L HN 0.352 nan 8.230 nan 0.000 0.437 653 A N -0.656 122.152 122.820 -0.020 0.000 1.908 653 A HA -0.250 4.061 4.320 -0.015 0.000 0.218 653 A C 2.142 179.788 177.584 0.102 0.000 1.181 653 A CA 1.908 54.012 52.037 0.111 0.000 0.627 653 A CB -0.628 18.422 19.000 0.084 0.000 0.818 653 A HN 0.592 nan 8.150 nan 0.000 0.445 654 E N -0.449 119.790 120.200 0.065 0.000 2.265 654 E HA -0.167 4.174 4.350 -0.015 0.000 0.196 654 E C 1.925 178.495 176.600 -0.050 0.000 0.996 654 E CA 1.238 57.635 56.400 -0.005 0.000 0.832 654 E CB -0.055 29.549 29.700 -0.160 0.000 0.756 654 E HN 0.636 nan 8.360 nan 0.000 0.491 655 K N 0.022 120.380 120.400 -0.070 0.000 2.099 655 K HA 0.015 4.326 4.320 -0.015 0.000 0.203 655 K C 2.156 178.606 176.600 -0.251 0.000 1.047 655 K CA 0.512 56.749 56.287 -0.082 0.000 0.963 655 K CB 0.002 32.460 32.500 -0.069 0.000 0.759 655 K HN -0.044 nan 8.250 nan 0.000 0.451 656 V N 1.806 121.490 119.914 -0.382 0.000 2.488 656 V HA -0.114 3.997 4.120 -0.015 0.000 0.246 656 V C 1.879 177.731 176.094 -0.402 0.000 1.046 656 V CA 1.146 62.986 62.300 -0.768 0.000 1.053 656 V CB -0.153 31.325 31.823 -0.575 0.000 0.679 656 V HN 0.240 nan 8.190 nan 0.000 0.458 657 I N 0.804 121.193 120.570 -0.301 0.000 2.163 657 I HA -0.136 4.025 4.170 -0.015 0.000 0.243 657 I C -0.200 175.799 176.117 -0.196 0.000 1.085 657 I CA 1.663 62.716 61.300 -0.411 0.000 1.347 657 I CB -1.618 36.005 38.000 -0.628 0.000 1.044 657 I HN 0.362 nan 8.210 nan 0.000 0.408 658 P HA -0.141 nan 4.420 nan 0.000 0.221 658 P C 1.042 178.335 177.300 -0.011 0.000 1.145 658 P CA 1.386 64.460 63.100 -0.042 0.000 0.795 658 P CB 0.001 31.686 31.700 -0.026 0.000 0.775 659 A N -1.196 121.600 122.820 -0.040 0.000 2.238 659 A HA 0.437 4.748 4.320 -0.015 0.000 0.210 659 A C 1.221 178.900 177.584 0.159 0.000 1.179 659 A CA 0.218 52.283 52.037 0.048 0.000 0.827 659 A CB -0.694 18.326 19.000 0.033 0.000 0.856 659 A HN 0.209 nan 8.150 nan 0.000 0.488 660 A N -0.050 122.863 122.820 0.155 0.000 2.354 660 A HA 0.471 4.782 4.320 -0.015 0.000 0.269 660 A C 0.343 178.075 177.584 0.246 0.000 1.109 660 A CA -0.182 52.014 52.037 0.264 0.000 0.800 660 A CB 0.352 19.596 19.000 0.407 0.000 1.045 660 A HN 0.268 nan 8.150 nan 0.000 0.489 661 D N 0.452 121.002 120.400 0.249 0.000 2.338 661 D HA 0.119 4.750 4.640 -0.015 0.000 0.224 661 D C 0.055 176.570 176.300 0.359 0.000 0.967 661 D CA 0.793 54.992 54.000 0.331 0.000 0.896 661 D CB 0.295 41.215 40.800 0.199 0.000 1.028 661 D HN 0.358 nan 8.370 nan 0.000 0.493 662 L N 0.964 122.286 121.223 0.164 0.000 2.381 662 L HA 0.292 4.623 4.340 -0.015 0.000 0.274 662 L C -0.905 175.859 176.870 -0.177 0.000 0.988 662 L CA -0.314 54.549 54.840 0.039 0.000 0.824 662 L CB 2.173 44.233 42.059 0.001 0.000 1.263 662 L HN -0.193 nan 8.230 nan 0.000 0.410 663 S N 4.141 119.649 115.700 -0.321 0.000 2.422 663 S HA 0.331 4.792 4.470 -0.015 0.000 0.308 663 S C -0.412 173.932 174.600 -0.428 0.000 1.097 663 S CA -0.666 57.097 58.200 -0.728 0.000 1.099 663 S CB 0.630 63.341 63.200 -0.815 0.000 0.976 663 S HN 0.547 nan 8.310 nan 0.000 0.471 664 E N 4.125 124.081 120.200 -0.406 0.000 2.089 664 E HA 0.202 4.542 4.350 -0.015 0.000 0.284 664 E C -0.525 175.969 176.600 -0.178 0.000 1.023 664 E CA -0.384 55.900 56.400 -0.193 0.000 0.819 664 E CB 0.959 30.573 29.700 -0.143 0.000 1.076 664 E HN 0.602 nan 8.360 nan 0.000 0.396 665 Q N 2.853 122.603 119.800 -0.083 0.000 2.907 665 Q HA 0.274 4.604 4.340 -0.015 0.000 0.262 665 Q C 0.612 176.590 176.000 -0.038 0.000 0.997 665 Q CA -0.134 55.627 55.803 -0.071 0.000 0.797 665 Q CB 0.231 28.937 28.738 -0.052 0.000 1.228 665 Q HN 0.611 nan 8.270 nan 0.000 0.466 666 I N -1.790 118.742 120.570 -0.063 0.000 3.569 666 I HA 0.266 4.427 4.170 -0.015 0.000 0.334 666 I C 0.391 176.443 176.117 -0.108 0.000 1.570 666 I CA -0.706 60.561 61.300 -0.055 0.000 1.082 666 I CB 0.514 38.488 38.000 -0.044 0.000 1.323 666 I HN 0.001 nan 8.210 nan 0.000 0.489 667 S N 0.494 116.133 115.700 -0.103 0.000 2.563 667 S HA 0.146 4.606 4.470 -0.015 0.000 0.284 667 S C 0.592 175.163 174.600 -0.048 0.000 1.331 667 S CA -0.231 57.930 58.200 -0.066 0.000 1.047 667 S CB 0.189 63.401 63.200 0.021 0.000 0.859 667 S HN 0.393 nan 8.310 nan 0.000 0.514 668 T N 2.939 117.497 114.554 0.007 0.000 2.908 668 T HA 0.358 4.699 4.350 -0.015 0.000 0.301 668 T C 0.797 175.501 174.700 0.007 0.000 1.019 668 T CA 0.291 62.406 62.100 0.023 0.000 1.152 668 T CB -0.074 68.879 68.868 0.142 0.000 0.966 668 T HN 1.028 nan 8.240 nan 0.000 0.540 669 A N 2.726 125.520 122.820 -0.043 0.000 2.567 669 A HA 0.451 4.762 4.320 -0.015 0.000 0.240 669 A C 1.650 179.224 177.584 -0.016 0.000 1.053 669 A CA 0.277 52.286 52.037 -0.047 0.000 0.755 669 A CB -0.855 18.105 19.000 -0.066 0.000 0.978 669 A HN 1.769 nan 8.150 nan 0.000 0.507 670 G N 1.285 110.074 108.800 -0.019 0.000 2.175 670 G HA2 -0.236 3.714 3.960 -0.015 0.000 0.244 670 G HA3 -0.236 3.714 3.960 -0.015 0.000 0.244 670 G C 0.817 175.701 174.900 -0.026 0.000 0.982 670 G CA 1.176 46.267 45.100 -0.015 0.000 0.641 670 G HN 2.017 nan 8.290 nan 0.000 0.527 671 T N -2.673 111.860 114.554 -0.036 0.000 3.026 671 T HA 0.415 4.756 4.350 -0.015 0.000 0.245 671 T C 0.721 175.250 174.700 -0.285 0.000 1.004 671 T CA 1.008 63.019 62.100 -0.149 0.000 1.069 671 T CB 0.570 69.397 68.868 -0.068 0.000 1.005 671 T HN 0.279 nan 8.240 nan 0.000 0.472 672 E N 1.602 121.771 120.200 -0.052 0.000 2.052 672 E HA 0.663 5.004 4.350 -0.015 0.000 0.283 672 E C 1.181 177.723 176.600 -0.098 0.000 1.071 672 E CA 0.086 56.500 56.400 0.023 0.000 0.851 672 E CB 0.794 30.572 29.700 0.130 0.000 1.066 672 E HN 0.353 nan 8.360 nan 0.000 0.396 673 A N 3.450 126.134 122.820 -0.226 0.000 1.892 673 A HA -0.229 4.082 4.320 -0.015 0.000 0.218 673 A C 2.005 179.455 177.584 -0.224 0.000 1.188 673 A CA 2.323 54.086 52.037 -0.455 0.000 0.631 673 A CB -0.319 18.182 19.000 -0.831 0.000 0.822 673 A HN 0.610 nan 8.150 nan 0.000 0.447 674 S N -3.799 111.832 115.700 -0.115 0.000 3.624 674 S HA 0.450 4.910 4.470 -0.015 0.000 0.244 674 S C 0.741 175.324 174.600 -0.028 0.000 1.115 674 S CA 1.443 59.621 58.200 -0.037 0.000 0.820 674 S CB -0.139 63.063 63.200 0.004 0.000 0.964 674 S HN 2.286 nan 8.310 nan 0.000 0.508 675 G N 0.417 109.207 108.800 -0.016 0.000 2.722 675 G HA2 -0.073 3.877 3.960 -0.015 0.000 0.686 675 G HA3 -0.073 3.877 3.960 -0.015 0.000 0.686 675 G C 0.263 175.140 174.900 -0.039 0.000 1.282 675 G CA 0.446 45.534 45.100 -0.021 0.000 0.817 675 G HN 1.309 nan 8.290 nan 0.000 0.605 676 T N -1.632 112.887 114.554 -0.059 0.000 3.010 676 T HA 0.380 4.721 4.350 -0.015 0.000 0.253 676 T C 2.438 177.036 174.700 -0.170 0.000 0.939 676 T CA 1.278 63.315 62.100 -0.106 0.000 0.910 676 T CB 0.190 68.990 68.868 -0.113 0.000 1.226 676 T HN 1.915 nan 8.240 nan 0.000 0.508 677 G N 3.291 112.016 108.800 -0.125 0.000 2.469 677 G HA2 -0.335 3.615 3.960 -0.015 0.000 0.219 677 G HA3 -0.335 3.615 3.960 -0.015 0.000 0.219 677 G C 1.467 176.418 174.900 0.085 0.000 1.150 677 G CA 1.357 46.411 45.100 -0.078 0.000 0.763 677 G HN 0.847 nan 8.290 nan 0.000 0.561 678 N N -0.047 118.685 118.700 0.053 0.000 2.060 678 N HA -0.130 4.601 4.740 -0.015 0.000 0.195 678 N C 1.467 176.984 175.510 0.011 0.000 1.028 678 N CA 0.782 53.862 53.050 0.050 0.000 0.861 678 N CB -0.366 38.100 38.487 -0.036 0.000 1.029 678 N HN 0.356 nan 8.380 nan 0.000 0.428 682 M N 0.248 119.925 119.600 0.129 0.000 2.117 682 M HA -0.158 4.313 4.480 -0.015 0.000 0.262 682 M C 1.986 178.330 176.300 0.073 0.000 1.065 682 M CA 1.814 57.157 55.300 0.071 0.000 1.114 682 M CB -0.081 32.561 32.600 0.070 0.000 1.361 682 M HN 0.313 nan 8.290 nan 0.000 0.408 683 L N 0.623 121.890 121.223 0.072 0.000 2.275 683 L HA -0.085 4.246 4.340 -0.015 0.000 0.215 683 L C 1.324 178.233 176.870 0.065 0.000 1.119 683 L CA 1.590 56.480 54.840 0.083 0.000 0.790 683 L CB -0.551 41.567 42.059 0.100 0.000 0.919 683 L HN 0.341 nan 8.230 nan 0.000 0.443 684 N N -0.442 118.286 118.700 0.047 0.000 2.214 684 N HA 0.176 4.907 4.740 -0.015 0.000 0.214 684 N C 0.804 176.342 175.510 0.047 0.000 1.132 684 N CA 0.779 53.851 53.050 0.036 0.000 0.856 684 N CB 0.661 39.149 38.487 0.001 0.000 1.020 684 N HN 0.370 nan 8.380 nan 0.000 0.509 685 G N 0.700 109.531 108.800 0.052 0.000 2.142 685 G HA2 -0.190 3.761 3.960 -0.015 0.000 0.225 685 G HA3 -0.190 3.761 3.960 -0.015 0.000 0.225 685 G C -0.038 174.914 174.900 0.087 0.000 1.015 685 G CA 0.108 45.235 45.100 0.046 0.000 0.716 685 G HN 0.500 nan 8.290 nan 0.000 0.508 686 A N -0.231 122.652 122.820 0.104 0.000 2.312 686 A HA 0.874 5.185 4.320 -0.015 0.000 0.328 686 A C 0.490 178.054 177.584 -0.033 0.000 1.158 686 A CA -0.611 51.503 52.037 0.128 0.000 0.821 686 A CB 0.958 20.102 19.000 0.241 0.000 1.170 686 A HN 0.723 nan 8.150 nan 0.000 0.490 687 L N 0.847 122.010 121.223 -0.099 0.000 2.439 687 L HA 0.419 4.750 4.340 -0.015 0.000 0.261 687 L C 0.232 176.985 176.870 -0.196 0.000 1.153 687 L CA -0.278 54.403 54.840 -0.265 0.000 0.808 687 L CB 1.314 43.136 42.059 -0.395 0.000 1.126 687 L HN 0.680 nan 8.230 nan 0.000 0.460 688 T N 2.688 117.041 114.554 -0.336 0.000 2.779 688 T HA 0.445 4.786 4.350 -0.015 0.000 0.280 688 T C -0.378 174.334 174.700 0.020 0.000 0.987 688 T CA -0.259 61.699 62.100 -0.237 0.000 0.966 688 T CB 1.421 70.073 68.868 -0.360 0.000 0.933 688 T HN 0.345 nan 8.240 nan 0.000 0.442 689 I N 3.121 123.735 120.570 0.074 0.000 2.321 689 I HA 0.705 4.866 4.170 -0.015 0.000 0.291 689 I C 0.119 176.410 176.117 0.291 0.000 0.998 689 I CA 0.105 61.540 61.300 0.226 0.000 1.227 689 I CB 0.316 38.370 38.000 0.090 0.000 1.368 689 I HN 0.773 nan 8.210 nan 0.000 0.466 690 G N 4.007 113.041 108.800 0.390 0.000 2.673 690 G HA2 0.436 4.387 3.960 -0.015 0.000 0.292 690 G HA3 0.436 4.387 3.960 -0.015 0.000 0.292 690 G C -0.844 173.982 174.900 -0.124 0.000 1.450 690 G CA -0.454 44.758 45.100 0.187 0.000 0.837 690 G HN 0.597 nan 8.290 nan 0.000 0.505 691 T N -1.029 113.306 114.554 -0.366 0.000 2.828 691 T HA 0.459 4.800 4.350 -0.015 0.000 0.290 691 T C 0.836 175.405 174.700 -0.219 0.000 1.019 691 T CA -0.609 61.205 62.100 -0.478 0.000 1.031 691 T CB 0.986 69.590 68.868 -0.439 0.000 1.001 691 T HN 0.266 nan 8.240 nan 0.000 0.531 692 M N 2.861 122.347 119.600 -0.190 0.000 3.442 692 M HA 0.299 4.770 4.480 -0.015 0.000 0.232 692 M C -0.405 175.835 176.300 -0.100 0.000 1.508 692 M CA 0.001 55.228 55.300 -0.122 0.000 1.647 692 M CB -1.767 30.773 32.600 -0.100 0.000 1.126 692 M HN 0.731 nan 8.290 nan 0.000 0.557 693 D N -0.080 120.265 120.400 -0.091 0.000 2.671 693 D HA 0.668 5.299 4.640 -0.015 0.000 0.232 693 D C 0.754 177.024 176.300 -0.049 0.000 1.114 693 D CA 0.703 54.665 54.000 -0.064 0.000 0.858 693 D CB 1.735 42.499 40.800 -0.061 0.000 1.544 693 D HN 0.590 nan 8.370 nan 0.000 0.471 694 G N 1.807 110.588 108.800 -0.031 0.000 2.652 694 G HA2 -0.281 3.669 3.960 -0.015 0.000 0.318 694 G HA3 -0.281 3.669 3.960 -0.015 0.000 0.318 694 G C 1.068 175.954 174.900 -0.022 0.000 1.295 694 G CA 1.259 46.345 45.100 -0.023 0.000 0.999 694 G HN 1.052 nan 8.290 nan 0.000 0.548 695 A N -0.344 122.457 122.820 -0.032 0.000 2.167 695 A HA 0.088 4.399 4.320 -0.015 0.000 0.214 695 A C 2.126 179.640 177.584 -0.117 0.000 1.151 695 A CA 1.838 53.849 52.037 -0.044 0.000 0.735 695 A CB -0.450 18.511 19.000 -0.065 0.000 0.802 695 A HN 0.625 nan 8.150 nan 0.000 0.467 696 N N 0.626 119.261 118.700 -0.108 0.000 2.094 696 N HA -0.166 4.564 4.740 -0.015 0.000 0.191 696 N C 1.612 177.000 175.510 -0.203 0.000 1.023 696 N CA 1.667 54.642 53.050 -0.125 0.000 0.857 696 N CB -0.680 37.770 38.487 -0.062 0.000 1.013 696 N HN 0.292 nan 8.380 nan 0.000 0.426 697 V N 1.251 121.084 119.914 -0.134 0.000 2.287 697 V HA -0.225 3.886 4.120 -0.015 0.000 0.248 697 V C 1.999 178.020 176.094 -0.122 0.000 1.053 697 V CA 1.751 63.974 62.300 -0.128 0.000 1.027 697 V CB -0.510 31.270 31.823 -0.072 0.000 0.646 697 V HN 0.361 nan 8.190 nan 0.000 0.447 698 E N -0.641 119.537 120.200 -0.036 0.000 2.152 698 E HA -0.128 4.213 4.350 -0.015 0.000 0.192 698 E C 2.220 178.912 176.600 0.154 0.000 0.983 698 E CA 1.027 57.477 56.400 0.084 0.000 0.818 698 E CB -0.190 29.642 29.700 0.221 0.000 0.758 698 E HN 0.539 nan 8.360 nan 0.000 0.467 699 M N 0.551 120.133 119.600 -0.029 0.000 2.086 699 M HA -0.168 4.303 4.480 -0.015 0.000 0.261 699 M C 2.508 178.481 176.300 -0.544 0.000 1.067 699 M CA 1.628 56.818 55.300 -0.184 0.000 1.116 699 M CB -0.238 32.151 32.600 -0.353 0.000 1.348 699 M HN 0.146 nan 8.290 nan 0.000 0.407 700 A N -0.132 122.102 122.820 -0.977 0.000 1.902 700 A HA -0.227 4.084 4.320 -0.015 0.000 0.217 700 A C 1.979 179.337 177.584 -0.376 0.000 1.181 700 A CA 2.015 53.439 52.037 -1.021 0.000 0.623 700 A CB -0.836 17.714 19.000 -0.751 0.000 0.818 700 A HN 0.591 nan 8.150 nan 0.000 0.443 701 E N -0.409 119.657 120.200 -0.223 0.000 2.077 701 E HA -0.224 4.117 4.350 -0.015 0.000 0.193 701 E C 1.830 178.399 176.600 -0.053 0.000 0.989 701 E CA 1.336 57.675 56.400 -0.102 0.000 0.800 701 E CB -0.071 29.591 29.700 -0.063 0.000 0.746 701 E HN 0.557 nan 8.360 nan 0.000 0.452 702 E N 0.042 120.235 120.200 -0.011 0.000 2.047 702 E HA -0.140 4.201 4.350 -0.015 0.000 0.191 702 E C 1.880 178.509 176.600 0.050 0.000 0.987 702 E CA 1.175 57.597 56.400 0.037 0.000 0.799 702 E CB -0.205 29.571 29.700 0.126 0.000 0.752 702 E HN 0.373 nan 8.360 nan 0.000 0.449 703 A N 0.340 123.202 122.820 0.069 0.000 2.072 703 A HA 0.327 4.637 4.320 -0.015 0.000 0.216 703 A C 1.060 178.686 177.584 0.070 0.000 1.156 703 A CA 1.121 53.233 52.037 0.124 0.000 0.701 703 A CB -0.001 19.186 19.000 0.311 0.000 0.816 703 A HN 0.261 nan 8.150 nan 0.000 0.458 704 G N -0.570 108.239 108.800 0.014 0.000 3.055 704 G HA2 -0.090 3.861 3.960 -0.015 0.000 0.686 704 G HA3 -0.090 3.861 3.960 -0.015 0.000 0.686 704 G C -0.023 174.880 174.900 0.004 0.000 1.087 704 G CA 0.005 45.104 45.100 -0.002 0.000 0.779 704 G HN 0.240 nan 8.290 nan 0.000 0.599 705 E N 0.992 121.173 120.200 -0.031 0.000 2.209 705 E HA -0.178 4.162 4.350 -0.015 0.000 0.196 705 E C 2.066 178.662 176.600 -0.006 0.000 0.993 705 E CA 1.771 58.157 56.400 -0.023 0.000 0.819 705 E CB 0.079 29.758 29.700 -0.035 0.000 0.745 705 E HN 0.779 nan 8.360 nan 0.000 0.477 706 E N 0.780 120.965 120.200 -0.026 0.000 2.265 706 E HA -0.116 4.225 4.350 -0.015 0.000 0.196 706 E C 1.119 177.643 176.600 -0.127 0.000 0.996 706 E CA 0.735 57.097 56.400 -0.063 0.000 0.832 706 E CB -0.053 29.620 29.700 -0.046 0.000 0.756 706 E HN 0.171 nan 8.360 nan 0.000 0.491 707 N N -0.413 118.247 118.700 -0.067 0.000 2.268 707 N HA 0.121 4.852 4.740 -0.015 0.000 0.204 707 N C -0.845 174.561 175.510 -0.172 0.000 1.124 707 N CA 0.152 53.124 53.050 -0.129 0.000 0.838 707 N CB 0.388 38.858 38.487 -0.029 0.000 0.994 707 N HN 0.052 nan 8.380 nan 0.000 0.489 708 F N -0.391 119.354 119.950 -0.341 0.000 2.563 708 F HA 0.401 4.918 4.527 -0.016 0.000 0.316 708 F C -0.360 175.218 175.800 -0.370 0.000 1.076 708 F CA -1.068 56.758 58.000 -0.289 0.000 0.921 708 F CB 1.205 40.131 39.000 -0.123 0.000 1.209 708 F HN -0.209 nan 8.300 nan 0.000 0.462 709 F N 4.441 124.441 119.950 0.084 0.000 2.425 709 F HA 0.405 4.923 4.527 -0.015 0.000 0.354 709 F C -0.021 175.915 175.800 0.227 0.000 1.162 709 F CA -0.370 57.695 58.000 0.108 0.000 1.250 709 F CB -0.241 38.776 39.000 0.029 0.000 1.579 709 F HN 0.076 nan 8.300 nan 0.000 0.589 710 I N 3.711 124.472 120.570 0.318 0.000 2.396 710 I HA 0.371 4.531 4.170 -0.015 0.000 0.292 710 I C -0.217 176.084 176.117 0.306 0.000 0.999 710 I CA -0.573 60.877 61.300 0.250 0.000 1.310 710 I CB 0.796 38.864 38.000 0.113 0.000 1.404 710 I HN 0.335 nan 8.210 nan 0.000 0.496 711 F N 3.611 123.620 119.950 0.098 0.000 2.685 711 F HA 0.923 5.441 4.527 -0.016 0.000 0.315 711 F C -0.024 175.811 175.800 0.058 0.000 1.126 711 F CA -0.603 57.447 58.000 0.083 0.000 0.950 711 F CB 0.971 40.036 39.000 0.109 0.000 1.360 711 F HN 0.778 nan 8.300 nan 0.000 0.469 712 G N 1.060 109.925 108.800 0.107 0.000 2.757 712 G HA2 -0.070 3.881 3.960 -0.015 0.000 0.638 712 G HA3 -0.070 3.881 3.960 -0.015 0.000 0.638 712 G C -0.884 173.987 174.900 -0.049 0.000 1.344 712 G CA -0.634 44.465 45.100 -0.002 0.000 0.855 712 G HN 0.963 nan 8.290 nan 0.000 0.537 713 M N 0.925 120.507 119.600 -0.030 0.000 2.249 713 M HA 0.202 4.673 4.480 -0.015 0.000 0.340 713 M C 1.219 177.484 176.300 -0.059 0.000 1.166 713 M CA 0.086 55.375 55.300 -0.018 0.000 1.115 713 M CB 0.254 32.853 32.600 -0.001 0.000 1.606 713 M HN 0.520 nan 8.290 nan 0.000 0.448 714 R N 1.821 122.299 120.500 -0.036 0.000 2.546 714 R HA 0.256 4.586 4.340 -0.015 0.000 0.266 714 R C 1.234 177.515 176.300 -0.032 0.000 1.086 714 R CA -0.576 55.498 56.100 -0.044 0.000 1.160 714 R CB -0.069 30.212 30.300 -0.031 0.000 1.138 714 R HN 0.578 nan 8.270 nan 0.000 0.567 715 V N 1.538 121.431 119.914 -0.034 0.000 2.317 715 V HA -0.302 3.808 4.120 -0.015 0.000 0.251 715 V C 1.927 178.011 176.094 -0.016 0.000 1.065 715 V CA 2.168 64.452 62.300 -0.026 0.000 1.049 715 V CB -0.479 31.326 31.823 -0.029 0.000 0.651 715 V HN 0.642 nan 8.190 nan 0.000 0.450 716 E N 0.026 120.218 120.200 -0.013 0.000 2.110 716 E HA -0.185 4.155 4.350 -0.015 0.000 0.193 716 E C 1.982 178.587 176.600 0.008 0.000 0.988 716 E CA 1.404 57.801 56.400 -0.004 0.000 0.804 716 E CB -0.355 29.343 29.700 -0.003 0.000 0.745 716 E HN 0.638 nan 8.360 nan 0.000 0.458 717 D N -0.166 120.240 120.400 0.011 0.000 2.144 717 D HA -0.100 4.530 4.640 -0.015 0.000 0.200 717 D C 1.968 178.287 176.300 0.031 0.000 0.978 717 D CA 0.793 54.811 54.000 0.029 0.000 0.833 717 D CB -0.038 40.783 40.800 0.034 0.000 0.961 717 D HN 0.066 nan 8.370 nan 0.000 0.470 718 V N 1.833 121.753 119.914 0.010 0.000 2.295 718 V HA -0.218 3.893 4.120 -0.015 0.000 0.246 718 V C 1.989 178.088 176.094 0.008 0.000 1.049 718 V CA 1.688 63.988 62.300 -0.000 0.000 1.024 718 V CB -0.418 31.394 31.823 -0.018 0.000 0.648 718 V HN 0.017 nan 8.190 nan 0.000 0.447 719 D N -0.043 120.360 120.400 0.005 0.000 2.104 719 D HA -0.177 4.454 4.640 -0.015 0.000 0.194 719 D C 2.410 178.724 176.300 0.023 0.000 0.994 719 D CA 1.384 55.388 54.000 0.008 0.000 0.830 719 D CB -0.296 40.505 40.800 0.001 0.000 0.959 719 D HN 0.332 nan 8.370 nan 0.000 0.452 720 R N -0.026 120.493 120.500 0.031 0.000 2.105 720 R HA -0.035 4.295 4.340 -0.015 0.000 0.239 720 R C 2.479 178.817 176.300 0.063 0.000 1.135 720 R CA 0.507 56.633 56.100 0.043 0.000 0.967 720 R CB -0.321 30.006 30.300 0.045 0.000 0.861 720 R HN 0.216 nan 8.270 nan 0.000 0.442 721 L N 0.473 121.743 121.223 0.079 0.000 2.093 721 L HA -0.185 4.146 4.340 -0.015 0.000 0.208 721 L C 1.426 178.365 176.870 0.116 0.000 1.085 721 L CA 1.282 56.197 54.840 0.124 0.000 0.755 721 L CB -0.211 41.940 42.059 0.153 0.000 0.904 721 L HN 0.211 nan 8.230 nan 0.000 0.435 722 D N -0.480 119.963 120.400 0.071 0.000 2.117 722 D HA -0.203 4.428 4.640 -0.015 0.000 0.197 722 D C 2.211 178.544 176.300 0.054 0.000 0.987 722 D CA 1.102 55.136 54.000 0.056 0.000 0.829 722 D CB -0.015 40.798 40.800 0.021 0.000 0.961 722 D HN 0.420 nan 8.370 nan 0.000 0.460 723 Q N 0.033 119.860 119.800 0.045 0.000 2.084 723 Q HA -0.106 4.225 4.340 -0.015 0.000 0.202 723 Q C 2.256 178.283 176.000 0.045 0.000 0.978 723 Q CA 0.935 56.761 55.803 0.038 0.000 0.844 723 Q CB 0.029 28.785 28.738 0.031 0.000 0.898 723 Q HN 0.146 nan 8.270 nan 0.000 0.426 724 R N -0.194 120.340 120.500 0.058 0.000 2.090 724 R HA 0.003 4.334 4.340 -0.015 0.000 0.228 724 R C -0.113 176.228 176.300 0.067 0.000 1.110 724 R CA 0.969 57.105 56.100 0.059 0.000 0.973 724 R CB 0.217 30.558 30.300 0.069 0.000 0.869 724 R HN 0.270 nan 8.270 nan 0.000 0.440 725 G N -0.073 108.782 108.800 0.092 0.000 3.434 725 G HA2 -0.253 3.698 3.960 -0.015 0.000 0.686 725 G HA3 -0.253 3.698 3.960 -0.015 0.000 0.686 725 G C -1.362 173.633 174.900 0.159 0.000 1.099 725 G CA -0.340 44.824 45.100 0.107 0.000 0.931 725 G HN 0.292 nan 8.290 nan 0.000 0.520 726 Y N 3.737 124.075 120.300 0.064 0.000 2.480 726 Y HA 0.471 5.012 4.550 -0.015 0.000 0.341 726 Y C 0.601 176.565 175.900 0.106 0.000 1.031 726 Y CA -0.431 57.727 58.100 0.097 0.000 1.295 726 Y CB 0.676 39.177 38.460 0.067 0.000 1.162 726 Y HN 0.571 nan 8.280 nan 0.000 0.523 727 N N 5.104 123.614 118.700 -0.316 0.000 2.558 727 N HA 0.346 5.077 4.740 -0.015 0.000 0.242 727 N C 0.258 175.534 175.510 -0.390 0.000 0.979 727 N CA 0.198 53.064 53.050 -0.307 0.000 0.931 727 N CB 1.204 39.625 38.487 -0.110 0.000 1.122 727 N HN 0.873 nan 8.380 nan 0.000 0.508 728 A N 3.053 125.574 122.820 -0.498 0.000 1.969 728 A HA -0.194 4.117 4.320 -0.015 0.000 0.218 728 A C 1.999 179.721 177.584 0.230 0.000 1.169 728 A CA 1.174 53.121 52.037 -0.149 0.000 0.635 728 A CB -0.343 18.475 19.000 -0.303 0.000 0.810 728 A HN 0.768 nan 8.150 nan 0.000 0.445 729 Q N 0.326 120.160 119.800 0.057 0.000 2.135 729 Q HA -0.237 4.094 4.340 -0.015 0.000 0.204 729 Q C 1.875 177.954 176.000 0.133 0.000 0.981 729 Q CA 2.288 58.144 55.803 0.089 0.000 0.856 729 Q CB -0.369 28.376 28.738 0.012 0.000 0.902 729 Q HN 0.770 nan 8.270 nan 0.000 0.425 730 E N -1.333 118.879 120.200 0.020 0.000 2.086 730 E HA -0.265 4.076 4.350 -0.015 0.000 0.200 730 E C 1.614 178.145 176.600 -0.115 0.000 1.012 730 E CA 1.707 58.042 56.400 -0.110 0.000 0.812 730 E CB -0.266 29.259 29.700 -0.292 0.000 0.743 730 E HN 0.602 nan 8.360 nan 0.000 0.453 731 Y N -1.151 119.218 120.300 0.116 0.000 2.200 731 Y HA -0.206 4.335 4.550 -0.015 0.000 0.290 731 Y C 2.261 178.165 175.900 0.007 0.000 1.137 731 Y CA 1.507 59.662 58.100 0.092 0.000 1.163 731 Y CB -0.749 37.815 38.460 0.173 0.000 0.988 731 Y HN 0.232 nan 8.280 nan 0.000 0.518 732 Y N 1.406 121.747 120.300 0.070 0.000 2.151 732 Y HA -0.297 4.243 4.550 -0.015 0.000 0.284 732 Y C 1.835 177.710 175.900 -0.041 0.000 1.166 732 Y CA 1.913 59.980 58.100 -0.056 0.000 1.163 732 Y CB -0.410 38.073 38.460 0.039 0.000 0.974 732 Y HN 0.095 nan 8.280 nan 0.000 0.511 733 D N -0.406 120.095 120.400 0.169 0.000 2.178 733 D HA -0.100 4.530 4.640 -0.015 0.000 0.202 733 D C 1.870 178.152 176.300 -0.030 0.000 0.974 733 D CA 1.298 55.341 54.000 0.071 0.000 0.841 733 D CB -0.107 40.746 40.800 0.089 0.000 0.953 733 D HN 0.479 nan 8.370 nan 0.000 0.478 734 R N -0.294 120.188 120.500 -0.030 0.000 2.334 734 R HA 0.287 4.618 4.340 -0.015 0.000 0.212 734 R C 0.313 176.595 176.300 -0.030 0.000 0.897 734 R CA 0.069 56.151 56.100 -0.031 0.000 1.056 734 R CB 1.156 31.437 30.300 -0.032 0.000 1.046 734 R HN 0.144 nan 8.270 nan 0.000 0.513 735 I N 2.223 122.757 120.570 -0.060 0.000 2.437 735 I HA 0.226 4.387 4.170 -0.015 0.000 0.279 735 I C -1.967 174.058 176.117 -0.153 0.000 1.028 735 I CA -2.331 58.934 61.300 -0.058 0.000 1.142 735 I CB 2.151 40.151 38.000 -0.001 0.000 1.266 735 I HN -0.280 nan 8.210 nan 0.000 0.461 736 P HA -0.126 nan 4.420 nan 0.000 0.217 736 P C 1.169 178.377 177.300 -0.155 0.000 1.150 736 P CA 1.241 64.250 63.100 -0.151 0.000 0.832 736 P CB 0.321 31.964 31.700 -0.094 0.000 0.787 737 E N -0.860 119.285 120.200 -0.093 0.000 2.106 737 E HA -0.155 4.186 4.350 -0.015 0.000 0.192 737 E C 1.846 178.352 176.600 -0.157 0.000 0.984 737 E CA 0.720 57.081 56.400 -0.064 0.000 0.806 737 E CB -0.565 29.167 29.700 0.053 0.000 0.750 737 E HN 0.137 nan 8.360 nan 0.000 0.458 738 L N 1.170 122.213 121.223 -0.300 0.000 2.072 738 L HA -0.108 4.223 4.340 -0.015 0.000 0.205 738 L C 2.385 178.984 176.870 -0.452 0.000 1.079 738 L CA 1.534 56.031 54.840 -0.571 0.000 0.752 738 L CB -0.253 41.309 42.059 -0.828 0.000 0.906 738 L HN -0.097 nan 8.230 nan 0.000 0.436 739 R N -0.806 119.406 120.500 -0.481 0.000 2.091 739 R HA -0.249 4.082 4.340 -0.015 0.000 0.238 739 R C 2.402 178.523 176.300 -0.299 0.000 1.136 739 R CA 2.044 57.770 56.100 -0.623 0.000 0.959 739 R CB -0.368 29.496 30.300 -0.728 0.000 0.856 739 R HN 0.591 nan 8.270 nan 0.000 0.437 740 Q N 0.401 120.068 119.800 -0.222 0.000 2.096 740 Q HA -0.196 4.134 4.340 -0.015 0.000 0.204 740 Q C 2.074 178.016 176.000 -0.097 0.000 0.982 740 Q CA 2.034 57.753 55.803 -0.141 0.000 0.850 740 Q CB -0.109 28.550 28.738 -0.132 0.000 0.901 740 Q HN 0.477 nan 8.270 nan 0.000 0.422 741 I N 0.529 121.039 120.570 -0.099 0.000 2.179 741 I HA -0.285 3.876 4.170 -0.015 0.000 0.242 741 I C 2.140 178.275 176.117 0.029 0.000 1.088 741 I CA 0.610 61.891 61.300 -0.031 0.000 1.357 741 I CB -0.331 37.623 38.000 -0.076 0.000 1.051 741 I HN 0.287 nan 8.210 nan 0.000 0.409 742 I N 0.954 121.540 120.570 0.027 0.000 2.226 742 I HA -0.257 3.904 4.170 -0.015 0.000 0.245 742 I C 2.484 178.698 176.117 0.161 0.000 1.100 742 I CA 1.725 63.111 61.300 0.144 0.000 1.374 742 I CB -1.335 36.847 38.000 0.303 0.000 1.057 742 I HN 0.348 nan 8.210 nan 0.000 0.413 743 E N 0.318 120.593 120.200 0.126 0.000 2.077 743 E HA -0.240 4.101 4.350 -0.015 0.000 0.193 743 E C 2.186 178.847 176.600 0.101 0.000 0.989 743 E CA 0.964 57.430 56.400 0.111 0.000 0.800 743 E CB -0.148 29.589 29.700 0.062 0.000 0.746 743 E HN 0.576 nan 8.360 nan 0.000 0.452 744 Q N 0.467 120.308 119.800 0.068 0.000 2.061 744 Q HA -0.159 4.172 4.340 -0.015 0.000 0.204 744 Q C 2.364 178.540 176.000 0.293 0.000 0.984 744 Q CA 1.110 56.968 55.803 0.091 0.000 0.846 744 Q CB -0.088 28.631 28.738 -0.031 0.000 0.902 744 Q HN 0.309 nan 8.270 nan 0.000 0.421 745 L N -0.120 121.280 121.223 0.295 0.000 2.046 745 L HA -0.189 4.142 4.340 -0.015 0.000 0.208 745 L C 2.474 179.522 176.870 0.297 0.000 1.077 745 L CA 0.973 56.003 54.840 0.317 0.000 0.747 745 L CB -0.368 41.792 42.059 0.168 0.000 0.896 745 L HN 0.144 nan 8.230 nan 0.000 0.432 746 S N -0.192 115.639 115.700 0.219 0.000 2.356 746 S HA -0.163 4.298 4.470 -0.015 0.000 0.223 746 S C 2.115 176.818 174.600 0.172 0.000 1.032 746 S CA 1.590 59.900 58.200 0.183 0.000 1.005 746 S CB -0.278 63.010 63.200 0.147 0.000 0.867 746 S HN 0.604 nan 8.310 nan 0.000 0.449 747 S N 0.498 116.299 115.700 0.168 0.000 2.481 747 S HA 0.277 4.738 4.470 -0.015 0.000 0.231 747 S C 1.439 176.130 174.600 0.152 0.000 0.996 747 S CA 0.759 59.045 58.200 0.142 0.000 0.942 747 S CB -0.185 63.091 63.200 0.127 0.000 0.768 747 S HN 0.889 nan 8.310 nan 0.000 0.520 748 G N 0.463 109.388 108.800 0.207 0.000 2.131 748 G HA2 -0.252 3.699 3.960 -0.015 0.000 0.201 748 G HA3 -0.252 3.699 3.960 -0.015 0.000 0.201 748 G C 0.126 175.124 174.900 0.164 0.000 1.000 748 G CA 0.065 45.280 45.100 0.191 0.000 0.680 748 G HN 0.480 nan 8.290 nan 0.000 0.514 749 F N 0.303 120.263 119.950 0.016 0.000 2.171 749 F HA 0.177 4.694 4.527 -0.016 0.000 0.300 749 F C 1.918 177.529 175.800 -0.315 0.000 1.090 749 F CA 1.997 59.880 58.000 -0.196 0.000 1.293 749 F CB -0.037 38.760 39.000 -0.339 0.000 1.013 749 F HN 0.179 nan 8.300 nan 0.000 0.486 750 F N -0.284 119.795 119.950 0.216 0.000 2.727 750 F HA 0.192 4.709 4.527 -0.015 0.000 0.302 750 F C 0.602 176.505 175.800 0.171 0.000 1.097 750 F CA 0.255 58.331 58.000 0.127 0.000 1.330 750 F CB -0.144 38.930 39.000 0.124 0.000 1.084 750 F HN -0.043 nan 8.300 nan 0.000 0.578 751 S N -1.781 114.073 115.700 0.256 0.000 2.488 751 S HA 0.313 4.774 4.470 -0.015 0.000 0.151 751 S C -2.508 172.120 174.600 0.047 0.000 1.401 751 S CA -1.011 57.271 58.200 0.137 0.000 1.221 751 S CB 0.991 64.249 63.200 0.096 0.000 1.407 751 S HN -0.183 nan 8.310 nan 0.000 0.406 752 P HA -0.029 nan 4.420 nan 0.000 0.217 752 P C 1.182 178.476 177.300 -0.011 0.000 1.150 752 P CA 1.065 64.147 63.100 -0.030 0.000 0.832 752 P CB 0.139 31.794 31.700 -0.075 0.000 0.787 753 K N -0.770 119.624 120.400 -0.009 0.000 2.103 753 K HA -0.026 4.285 4.320 -0.015 0.000 0.204 753 K C 0.734 177.335 176.600 0.001 0.000 1.052 753 K CA 0.945 57.230 56.287 -0.004 0.000 0.945 753 K CB -0.058 32.440 32.500 -0.003 0.000 0.722 753 K HN 0.283 nan 8.250 nan 0.000 0.443 754 Q N 0.137 119.937 119.800 -0.000 0.000 2.700 754 Q HA 0.153 4.484 4.340 -0.015 0.000 0.249 754 Q C -2.310 173.688 176.000 -0.002 0.000 1.033 754 Q CA -1.688 54.111 55.803 -0.007 0.000 0.804 754 Q CB 1.560 30.286 28.738 -0.020 0.000 1.164 754 Q HN -0.051 nan 8.270 nan 0.000 0.500 755 P HA -0.205 nan 4.420 nan 0.000 0.219 755 P C 0.553 177.895 177.300 0.069 0.000 1.146 755 P CA 1.328 64.461 63.100 0.055 0.000 0.808 755 P CB 0.233 31.964 31.700 0.051 0.000 0.779 756 D N -1.233 119.190 120.400 0.039 0.000 2.368 756 D HA -0.000 4.630 4.640 -0.015 0.000 0.218 756 D C 1.577 177.880 176.300 0.006 0.000 1.112 756 D CA -0.251 53.778 54.000 0.049 0.000 0.834 756 D CB -0.530 40.298 40.800 0.047 0.000 0.953 756 D HN 0.012 nan 8.370 nan 0.000 0.505 757 L N -0.025 121.139 121.223 -0.097 0.000 2.081 757 L HA -0.062 4.268 4.340 -0.015 0.000 0.212 757 L C 1.124 177.775 176.870 -0.364 0.000 1.080 757 L CA 1.656 56.317 54.840 -0.299 0.000 0.754 757 L CB -0.613 41.102 42.059 -0.573 0.000 0.893 757 L HN -0.012 nan 8.230 nan 0.000 0.433 758 F N -0.742 119.262 119.950 0.090 0.000 2.668 758 F HA 0.135 4.653 4.527 -0.015 0.000 0.297 758 F C 1.837 177.684 175.800 0.078 0.000 1.124 758 F CA -0.148 57.894 58.000 0.069 0.000 1.353 758 F CB -0.325 38.703 39.000 0.047 0.000 0.992 758 F HN 0.093 nan 8.300 nan 0.000 0.524 759 K N -0.349 120.164 120.400 0.189 0.000 2.103 759 K HA -0.193 4.118 4.320 -0.015 0.000 0.207 759 K C 0.992 177.687 176.600 0.158 0.000 1.048 759 K CA 2.035 58.416 56.287 0.157 0.000 0.930 759 K CB -0.269 32.302 32.500 0.118 0.000 0.716 759 K HN 0.057 nan 8.250 nan 0.000 0.444 760 D N 1.252 121.759 120.400 0.177 0.000 2.117 760 D HA -0.093 4.538 4.640 -0.015 0.000 0.197 760 D C 2.036 178.428 176.300 0.155 0.000 0.987 760 D CA 1.178 55.294 54.000 0.193 0.000 0.829 760 D CB -0.147 40.808 40.800 0.259 0.000 0.961 760 D HN 0.298 nan 8.370 nan 0.000 0.460 761 I N 0.386 121.049 120.570 0.155 0.000 2.142 761 I HA -0.229 3.932 4.170 -0.015 0.000 0.240 761 I C 2.426 178.569 176.117 0.043 0.000 1.078 761 I CA 0.650 62.006 61.300 0.092 0.000 1.343 761 I CB -0.249 37.810 38.000 0.100 0.000 1.046 761 I HN -0.108 nan 8.210 nan 0.000 0.405 762 V N 1.142 121.105 119.914 0.082 0.000 2.332 762 V HA -0.315 3.796 4.120 -0.015 0.000 0.248 762 V C 2.223 178.302 176.094 -0.025 0.000 1.055 762 V CA 2.429 64.761 62.300 0.053 0.000 1.038 762 V CB -0.988 30.896 31.823 0.101 0.000 0.651 762 V HN 0.475 nan 8.190 nan 0.000 0.450 763 N N -0.241 118.473 118.700 0.025 0.000 2.084 763 N HA -0.208 4.523 4.740 -0.015 0.000 0.190 763 N C 1.854 177.271 175.510 -0.155 0.000 1.030 763 N CA 1.782 54.860 53.050 0.046 0.000 0.849 763 N CB -0.280 38.316 38.487 0.180 0.000 1.012 763 N HN 0.324 nan 8.380 nan 0.000 0.423 764 M N -0.169 119.273 119.600 -0.264 0.000 2.086 764 M HA -0.118 4.352 4.480 -0.015 0.000 0.261 764 M C 1.425 177.437 176.300 -0.480 0.000 1.067 764 M CA 1.340 56.232 55.300 -0.679 0.000 1.116 764 M CB -0.655 31.776 32.600 -0.281 0.000 1.348 764 M HN 0.209 nan 8.290 nan 0.000 0.407 765 L N 0.601 121.633 121.223 -0.318 0.000 2.042 765 L HA -0.209 4.121 4.340 -0.015 0.000 0.210 765 L C 2.439 178.958 176.870 -0.585 0.000 1.076 765 L CA 1.651 56.231 54.840 -0.434 0.000 0.749 765 L CB -1.087 40.783 42.059 -0.315 0.000 0.893 765 L HN 0.354 nan 8.230 nan 0.000 0.432 766 M N -2.054 117.261 119.600 -0.475 0.000 2.334 766 M HA -0.044 4.427 4.480 -0.015 0.000 0.266 766 M C 1.706 177.627 176.300 -0.633 0.000 1.082 766 M CA 1.328 56.271 55.300 -0.596 0.000 1.141 766 M CB -0.681 31.460 32.600 -0.766 0.000 1.380 766 M HN 0.326 nan 8.290 nan 0.000 0.440 767 H N -2.034 116.952 119.070 -0.139 0.000 3.400 767 H HA 0.196 4.743 4.556 -0.015 0.000 0.251 767 H C 0.085 175.452 175.328 0.066 0.000 1.040 767 H CA 0.590 56.624 56.048 -0.024 0.000 1.175 767 H CB 0.253 30.050 29.762 0.059 0.000 1.487 767 H HN 0.566 nan 8.280 nan 0.000 0.505 768 H N -1.504 117.620 119.070 0.090 0.000 2.947 768 H HA 0.280 4.827 4.556 -0.015 0.000 0.222 768 H C -1.265 174.083 175.328 0.035 0.000 1.414 768 H CA -0.621 55.469 56.048 0.069 0.000 1.224 768 H CB -0.121 29.683 29.762 0.070 0.000 2.100 768 H HN -0.143 nan 8.280 nan 0.000 0.524 769 D N 1.423 121.819 120.400 -0.007 0.000 2.441 769 D HA 0.145 4.776 4.640 -0.015 0.000 0.221 769 D C 0.909 177.144 176.300 -0.108 0.000 1.156 769 D CA -0.440 53.534 54.000 -0.043 0.000 0.896 769 D CB 0.722 41.480 40.800 -0.071 0.000 1.028 769 D HN 0.494 nan 8.370 nan 0.000 0.509 770 R N 2.211 122.564 120.500 -0.244 0.000 2.193 770 R HA -0.077 4.254 4.340 -0.015 0.000 0.229 770 R C 0.608 176.437 176.300 -0.786 0.000 1.110 770 R CA 0.988 56.732 56.100 -0.592 0.000 0.988 770 R CB 0.063 29.799 30.300 -0.941 0.000 0.871 770 R HN 0.421 nan 8.270 nan 0.000 0.458 771 F N 0.084 119.988 119.950 -0.076 0.000 2.661 771 F HA 0.271 4.789 4.527 -0.015 0.000 0.306 771 F C 0.067 175.744 175.800 -0.205 0.000 1.094 771 F CA -0.628 57.316 58.000 -0.093 0.000 1.254 771 F CB 0.284 39.292 39.000 0.014 0.000 1.040 771 F HN -0.250 nan 8.300 nan 0.000 0.562 772 K N -0.356 119.859 120.400 -0.309 0.000 3.150 772 K HA -0.172 4.139 4.320 -0.015 0.000 0.267 772 K C 0.946 177.435 176.600 -0.184 0.000 1.028 772 K CA 0.217 56.143 56.287 -0.602 0.000 0.753 772 K CB -1.948 30.125 32.500 -0.712 0.000 1.288 772 K HN 0.203 nan 8.250 nan 0.000 0.473 773 V N -0.008 119.878 119.914 -0.046 0.000 2.282 773 V HA -0.302 3.809 4.120 -0.015 0.000 0.249 773 V C 1.973 178.218 176.094 0.253 0.000 1.057 773 V CA 2.405 64.761 62.300 0.092 0.000 1.032 773 V CB -0.525 31.360 31.823 0.102 0.000 0.645 773 V HN 0.488 nan 8.190 nan 0.000 0.447 774 F N 0.250 120.202 119.950 0.003 0.000 2.171 774 F HA -0.201 4.317 4.527 -0.016 0.000 0.300 774 F C 2.545 178.129 175.800 -0.360 0.000 1.090 774 F CA 0.687 58.624 58.000 -0.104 0.000 1.293 774 F CB -0.411 38.538 39.000 -0.086 0.000 1.013 774 F HN 0.197 nan 8.300 nan 0.000 0.486 775 A N -0.457 122.216 122.820 -0.246 0.000 2.019 775 A HA -0.203 4.107 4.320 -0.015 0.000 0.219 775 A C 1.488 179.070 177.584 -0.004 0.000 1.164 775 A CA 1.953 53.780 52.037 -0.350 0.000 0.644 775 A CB -0.472 18.473 19.000 -0.092 0.000 0.805 775 A HN 0.247 nan 8.150 nan 0.000 0.449 776 D N -2.849 117.607 120.400 0.093 0.000 2.369 776 D HA 0.084 4.715 4.640 -0.015 0.000 0.211 776 D C 1.180 177.643 176.300 0.272 0.000 1.077 776 D CA -0.002 54.125 54.000 0.212 0.000 0.842 776 D CB -0.112 40.827 40.800 0.231 0.000 0.947 776 D HN 0.598 nan 8.370 nan 0.000 0.509 777 Y N 2.120 122.496 120.300 0.127 0.000 2.097 777 Y HA -0.210 4.331 4.550 -0.015 0.000 0.282 777 Y C 2.081 178.056 175.900 0.124 0.000 1.152 777 Y CA 1.851 60.034 58.100 0.137 0.000 1.136 777 Y CB 0.173 38.675 38.460 0.070 0.000 0.975 777 Y HN -0.114 nan 8.280 nan 0.000 0.498 778 E N 0.011 120.273 120.200 0.104 0.000 2.038 778 E HA -0.246 4.095 4.350 -0.015 0.000 0.195 778 E C 2.181 178.743 176.600 -0.064 0.000 1.000 778 E CA 1.613 58.004 56.400 -0.015 0.000 0.803 778 E CB -0.182 29.607 29.700 0.148 0.000 0.750 778 E HN 0.638 nan 8.360 nan 0.000 0.448 779 E N -0.186 120.051 120.200 0.061 0.000 2.110 779 E HA -0.201 4.140 4.350 -0.015 0.000 0.193 779 E C 1.950 178.523 176.600 -0.045 0.000 0.988 779 E CA 0.752 57.207 56.400 0.091 0.000 0.804 779 E CB -0.147 29.704 29.700 0.252 0.000 0.745 779 E HN 0.260 nan 8.360 nan 0.000 0.458 780 Y N 1.380 121.471 120.300 -0.348 0.000 2.114 780 Y HA -0.241 4.300 4.550 -0.016 0.000 0.284 780 Y C 2.172 177.669 175.900 -0.673 0.000 1.143 780 Y CA 1.049 58.618 58.100 -0.885 0.000 1.135 780 Y CB -0.583 37.439 38.460 -0.731 0.000 0.980 780 Y HN -0.205 nan 8.280 nan 0.000 0.499 781 V N 0.385 119.931 119.914 -0.613 0.000 2.343 781 V HA -0.308 3.802 4.120 -0.015 0.000 0.247 781 V C 2.378 178.235 176.094 -0.394 0.000 1.051 781 V CA 2.336 64.291 62.300 -0.574 0.000 1.036 781 V CB -0.677 30.826 31.823 -0.533 0.000 0.654 781 V HN 0.218 nan 8.190 nan 0.000 0.451 782 K N -0.546 119.688 120.400 -0.276 0.000 2.032 782 K HA -0.201 4.109 4.320 -0.015 0.000 0.209 782 K C 2.255 178.758 176.600 -0.161 0.000 1.048 782 K CA 1.928 58.120 56.287 -0.159 0.000 0.927 782 K CB -0.910 31.545 32.500 -0.075 0.000 0.712 782 K HN 0.546 nan 8.250 nan 0.000 0.441 783 C N 0.741 119.915 119.300 -0.210 0.000 2.425 783 C HA -0.068 4.383 4.460 -0.015 0.000 0.277 783 C C 2.467 177.274 174.990 -0.304 0.000 1.280 783 C CA 0.675 59.597 59.018 -0.160 0.000 1.744 783 C CB -0.726 26.937 27.740 -0.128 0.000 1.989 783 C HN 0.481 nan 8.230 nan 0.000 0.491 784 Q N 0.472 119.957 119.800 -0.525 0.000 2.170 784 Q HA -0.176 4.155 4.340 -0.015 0.000 0.203 784 Q C 1.994 177.801 176.000 -0.322 0.000 0.976 784 Q CA 1.636 57.093 55.803 -0.577 0.000 0.858 784 Q CB -0.393 27.761 28.738 -0.975 0.000 0.907 784 Q HN 0.761 nan 8.270 nan 0.000 0.433 785 E N 0.231 120.298 120.200 -0.221 0.000 2.106 785 E HA -0.142 4.199 4.350 -0.015 0.000 0.192 785 E C 2.083 178.640 176.600 -0.071 0.000 0.984 785 E CA 0.581 56.911 56.400 -0.116 0.000 0.806 785 E CB -0.040 29.611 29.700 -0.082 0.000 0.750 785 E HN 0.266 nan 8.360 nan 0.000 0.458 786 R N 0.452 120.917 120.500 -0.059 0.000 2.120 786 R HA -0.094 4.237 4.340 -0.015 0.000 0.234 786 R C 2.410 178.720 176.300 0.017 0.000 1.123 786 R CA 0.876 57.006 56.100 0.051 0.000 0.975 786 R CB -0.291 30.110 30.300 0.168 0.000 0.866 786 R HN 0.058 nan 8.270 nan 0.000 0.446 787 V N 0.534 120.267 119.914 -0.302 0.000 2.295 787 V HA -0.248 3.863 4.120 -0.015 0.000 0.246 787 V C 2.163 178.238 176.094 -0.032 0.000 1.049 787 V CA 2.017 64.047 62.300 -0.449 0.000 1.024 787 V CB -0.361 31.074 31.823 -0.648 0.000 0.648 787 V HN 0.292 nan 8.190 nan 0.000 0.447 788 S N 0.117 115.771 115.700 -0.077 0.000 2.382 788 S HA -0.176 4.285 4.470 -0.015 0.000 0.228 788 S C 2.201 176.853 174.600 0.087 0.000 1.027 788 S CA 1.379 59.567 58.200 -0.020 0.000 0.991 788 S CB -0.506 62.657 63.200 -0.062 0.000 0.823 788 S HN 0.653 nan 8.310 nan 0.000 0.469 789 A N 1.552 124.428 122.820 0.093 0.000 1.877 789 A HA -0.018 4.293 4.320 -0.015 0.000 0.216 789 A C 2.104 179.799 177.584 0.186 0.000 1.186 789 A CA 1.162 53.275 52.037 0.127 0.000 0.620 789 A CB -0.799 18.267 19.000 0.110 0.000 0.822 789 A HN 0.455 nan 8.150 nan 0.000 0.443 790 L N -2.008 119.384 121.223 0.282 0.000 2.093 790 L HA -0.165 4.166 4.340 -0.015 0.000 0.208 790 L C 2.474 179.607 176.870 0.438 0.000 1.085 790 L CA 1.852 56.933 54.840 0.401 0.000 0.755 790 L CB -0.420 41.990 42.059 0.586 0.000 0.904 790 L HN 0.611 nan 8.230 nan 0.000 0.435 791 Y N 0.908 121.317 120.300 0.182 0.000 2.333 791 Y HA -0.260 4.281 4.550 -0.014 0.000 0.290 791 Y C 2.432 178.254 175.900 -0.131 0.000 1.144 791 Y CA 1.560 59.508 58.100 -0.253 0.000 1.228 791 Y CB -0.034 38.062 38.460 -0.607 0.000 0.985 791 Y HN 0.061 nan 8.280 nan 0.000 0.542 792 K N -0.055 120.382 120.400 0.062 0.000 2.360 792 K HA -0.150 4.161 4.320 -0.015 0.000 0.201 792 K C 0.376 176.959 176.600 -0.030 0.000 1.046 792 K CA 0.841 57.147 56.287 0.032 0.000 0.945 792 K CB -0.102 32.458 32.500 0.100 0.000 0.750 792 K HN 0.060 nan 8.250 nan 0.000 0.464 793 N N 0.316 119.013 118.700 -0.004 0.000 2.936 793 N HA 0.130 4.861 4.740 -0.015 0.000 0.243 793 N C -2.444 173.064 175.510 -0.003 0.000 1.149 793 N CA -2.077 50.976 53.050 0.006 0.000 0.914 793 N CB 1.217 39.740 38.487 0.060 0.000 1.179 793 N HN -0.181 nan 8.380 nan 0.000 0.502 794 P HA -0.166 nan 4.420 nan 0.000 0.216 794 P C 1.380 178.689 177.300 0.015 0.000 1.153 794 P CA 1.106 64.131 63.100 -0.124 0.000 0.858 794 P CB 0.400 32.003 31.700 -0.161 0.000 0.789 795 R N 0.006 120.516 120.500 0.017 0.000 2.075 795 R HA -0.135 4.196 4.340 -0.015 0.000 0.232 795 R C 1.896 178.237 176.300 0.068 0.000 1.126 795 R CA 1.345 57.466 56.100 0.036 0.000 0.963 795 R CB -0.309 30.004 30.300 0.020 0.000 0.858 795 R HN 0.086 nan 8.270 nan 0.000 0.435 796 E N -0.093 120.158 120.200 0.085 0.000 2.158 796 E HA -0.200 4.141 4.350 -0.015 0.000 0.191 796 E C 1.583 178.261 176.600 0.128 0.000 0.982 796 E CA 0.498 56.952 56.400 0.090 0.000 0.823 796 E CB -0.388 29.363 29.700 0.085 0.000 0.766 796 E HN 0.500 nan 8.360 nan 0.000 0.468 797 W N 2.287 123.586 121.300 -0.003 0.000 2.333 797 W HA -0.210 4.440 4.660 -0.016 0.000 0.316 797 W C 1.664 178.187 176.519 0.006 0.000 1.215 797 W CA 2.194 59.550 57.345 0.019 0.000 1.278 797 W CB -0.480 28.965 29.460 -0.026 0.000 1.154 797 W HN 0.033 nan 8.180 nan 0.000 0.486 798 T N 1.155 115.839 114.554 0.217 0.000 2.788 798 T HA -0.195 4.146 4.350 -0.015 0.000 0.268 798 T C 1.858 176.564 174.700 0.009 0.000 1.044 798 T CA 1.798 63.955 62.100 0.095 0.000 1.139 798 T CB -0.341 68.574 68.868 0.077 0.000 0.867 798 T HN 0.177 nan 8.240 nan 0.000 0.454 799 R N 0.309 120.822 120.500 0.021 0.000 2.096 799 R HA 0.083 4.414 4.340 -0.015 0.000 0.235 799 R C 2.512 178.797 176.300 -0.025 0.000 1.127 799 R CA 1.214 57.325 56.100 0.018 0.000 0.968 799 R CB -0.315 30.003 30.300 0.030 0.000 0.861 799 R HN 0.373 nan 8.270 nan 0.000 0.440 800 M N 0.379 119.926 119.600 -0.088 0.000 2.175 800 M HA -0.141 4.330 4.480 -0.015 0.000 0.264 800 M C 1.940 178.129 176.300 -0.185 0.000 1.063 800 M CA 1.356 56.561 55.300 -0.158 0.000 1.119 800 M CB 0.172 32.620 32.600 -0.253 0.000 1.377 800 M HN -0.012 nan 8.290 nan 0.000 0.415 801 V N 0.994 120.775 119.914 -0.221 0.000 2.287 801 V HA -0.327 3.784 4.120 -0.015 0.000 0.248 801 V C 2.199 178.260 176.094 -0.056 0.000 1.053 801 V CA 2.130 64.330 62.300 -0.166 0.000 1.027 801 V CB -0.642 31.106 31.823 -0.126 0.000 0.646 801 V HN 0.507 nan 8.190 nan 0.000 0.447 802 I N -0.714 119.851 120.570 -0.009 0.000 2.264 802 I HA -0.253 3.907 4.170 -0.015 0.000 0.248 802 I C 2.695 178.856 176.117 0.074 0.000 1.111 802 I CA 1.569 62.917 61.300 0.079 0.000 1.382 802 I CB -0.418 37.686 38.000 0.174 0.000 1.060 802 I HN 0.186 nan 8.210 nan 0.000 0.418 803 R N 0.408 120.928 120.500 0.033 0.000 2.115 803 R HA -0.105 4.226 4.340 -0.015 0.000 0.230 803 R C 2.064 178.393 176.300 0.049 0.000 1.111 803 R CA 1.124 57.246 56.100 0.036 0.000 0.976 803 R CB -0.351 29.956 30.300 0.012 0.000 0.870 803 R HN 0.529 nan 8.270 nan 0.000 0.445 804 N N 0.632 119.346 118.700 0.023 0.000 2.062 804 N HA -0.110 4.620 4.740 -0.015 0.000 0.191 804 N C 1.964 177.526 175.510 0.086 0.000 1.042 804 N CA 1.201 54.285 53.050 0.056 0.000 0.845 804 N CB -0.091 38.370 38.487 -0.043 0.000 1.024 804 N HN 0.110 nan 8.380 nan 0.000 0.424 805 I N 1.641 122.246 120.570 0.060 0.000 2.194 805 I HA -0.268 3.893 4.170 -0.015 0.000 0.246 805 I C 2.438 178.602 176.117 0.078 0.000 1.093 805 I CA 1.031 62.374 61.300 0.071 0.000 1.355 805 I CB -0.322 37.713 38.000 0.058 0.000 1.046 805 I HN 0.124 nan 8.210 nan 0.000 0.413 806 A N 0.233 123.099 122.820 0.076 0.000 2.015 806 A HA -0.145 4.166 4.320 -0.015 0.000 0.219 806 A C 2.092 179.714 177.584 0.064 0.000 1.163 806 A CA 1.948 54.022 52.037 0.061 0.000 0.646 806 A CB -0.799 18.239 19.000 0.065 0.000 0.806 806 A HN 0.531 nan 8.150 nan 0.000 0.448 807 T N -2.758 111.851 114.554 0.091 0.000 3.176 807 T HA 0.175 4.516 4.350 -0.015 0.000 0.263 807 T C 1.128 175.926 174.700 0.163 0.000 1.021 807 T CA 0.625 62.785 62.100 0.100 0.000 0.905 807 T CB -0.197 68.734 68.868 0.104 0.000 1.057 807 T HN 0.469 nan 8.240 nan 0.000 0.558 808 S N 0.059 115.871 115.700 0.186 0.000 2.593 808 S HA 0.251 4.711 4.470 -0.015 0.000 0.217 808 S C 2.172 176.908 174.600 0.226 0.000 0.966 808 S CA 0.223 58.608 58.200 0.309 0.000 0.914 808 S CB -0.584 62.766 63.200 0.250 0.000 0.776 808 S HN 0.523 nan 8.310 nan 0.000 0.523 809 G N 2.667 111.517 108.800 0.084 0.000 2.442 809 G HA2 -0.271 3.680 3.960 -0.015 0.000 0.219 809 G HA3 -0.271 3.680 3.960 -0.015 0.000 0.219 809 G C 1.318 176.169 174.900 -0.082 0.000 1.141 809 G CA 0.973 46.087 45.100 0.023 0.000 0.763 809 G HN 0.607 nan 8.290 nan 0.000 0.554 810 K N -0.158 120.070 120.400 -0.287 0.000 2.211 810 K HA -0.048 4.263 4.320 -0.015 0.000 0.204 810 K C 1.179 177.460 176.600 -0.531 0.000 1.047 810 K CA 0.820 56.793 56.287 -0.524 0.000 0.935 810 K CB -0.269 31.719 32.500 -0.854 0.000 0.728 810 K HN 0.421 nan 8.250 nan 0.000 0.452 811 F N 0.738 120.717 119.950 0.049 0.000 2.645 811 F HA 0.151 4.669 4.527 -0.016 0.000 0.300 811 F C 0.730 176.574 175.800 0.073 0.000 1.115 811 F CA -0.657 57.378 58.000 0.059 0.000 1.355 811 F CB 0.510 39.541 39.000 0.052 0.000 1.026 811 F HN -0.125 nan 8.300 nan 0.000 0.536 812 S N 0.394 116.182 115.700 0.146 0.000 2.528 812 S HA 0.058 4.518 4.470 -0.015 0.000 0.277 812 S C 1.467 176.149 174.600 0.137 0.000 1.297 812 S CA -0.156 58.123 58.200 0.132 0.000 1.052 812 S CB 0.791 64.038 63.200 0.078 0.000 0.917 812 S HN 0.368 nan 8.310 nan 0.000 0.492 813 S N 3.397 119.203 115.700 0.177 0.000 2.474 813 S HA -0.094 4.366 4.470 -0.015 0.000 0.235 813 S C 0.995 175.651 174.600 0.094 0.000 0.997 813 S CA 0.813 59.138 58.200 0.207 0.000 0.949 813 S CB -0.383 63.016 63.200 0.330 0.000 0.766 813 S HN 0.798 nan 8.310 nan 0.000 0.517 814 D N 1.936 122.375 120.400 0.065 0.000 2.117 814 D HA -0.103 4.528 4.640 -0.015 0.000 0.197 814 D C 2.098 178.404 176.300 0.010 0.000 0.987 814 D CA 0.878 54.893 54.000 0.026 0.000 0.829 814 D CB -0.353 40.459 40.800 0.019 0.000 0.961 814 D HN 0.295 nan 8.370 nan 0.000 0.460 815 R N 0.757 121.265 120.500 0.014 0.000 2.073 815 R HA -0.091 4.239 4.340 -0.015 0.000 0.234 815 R C 1.950 178.244 176.300 -0.011 0.000 1.134 815 R CA 1.457 57.551 56.100 -0.011 0.000 0.952 815 R CB -0.809 29.472 30.300 -0.032 0.000 0.850 815 R HN 0.137 nan 8.270 nan 0.000 0.433 816 T N 2.165 116.737 114.554 0.029 0.000 2.684 816 T HA -0.130 4.211 4.350 -0.015 0.000 0.267 816 T C 1.921 176.626 174.700 0.009 0.000 1.036 816 T CA 1.417 63.552 62.100 0.058 0.000 1.148 816 T CB -0.122 68.865 68.868 0.200 0.000 0.863 816 T HN 0.115 nan 8.240 nan 0.000 0.436 817 I N 1.582 122.090 120.570 -0.103 0.000 2.315 817 I HA -0.062 4.099 4.170 -0.015 0.000 0.248 817 I C 2.927 179.009 176.117 -0.059 0.000 1.117 817 I CA 0.877 62.081 61.300 -0.161 0.000 1.404 817 I CB -1.602 36.293 38.000 -0.174 0.000 1.071 817 I HN 0.194 nan 8.210 nan 0.000 0.419 818 A N 0.270 123.069 122.820 -0.035 0.000 1.940 818 A HA -0.246 4.065 4.320 -0.015 0.000 0.219 818 A C 2.258 179.801 177.584 -0.067 0.000 1.176 818 A CA 1.522 53.544 52.037 -0.025 0.000 0.631 818 A CB -0.546 18.444 19.000 -0.018 0.000 0.814 818 A HN 0.508 nan 8.150 nan 0.000 0.446 819 Q N -1.840 117.899 119.800 -0.101 0.000 2.049 819 Q HA -0.160 4.171 4.340 -0.015 0.000 0.198 819 Q C 1.956 177.782 176.000 -0.289 0.000 0.971 819 Q CA 1.632 57.332 55.803 -0.171 0.000 0.833 819 Q CB -0.328 28.299 28.738 -0.186 0.000 0.896 819 Q HN 0.811 nan 8.270 nan 0.000 0.434 820 Y N 0.679 120.694 120.300 -0.476 0.000 2.114 820 Y HA -0.321 4.220 4.550 -0.016 0.000 0.282 820 Y C 2.481 177.830 175.900 -0.918 0.000 1.165 820 Y CA 1.323 58.883 58.100 -0.900 0.000 1.148 820 Y CB -0.513 37.072 38.460 -1.458 0.000 0.972 820 Y HN 0.175 nan 8.280 nan 0.000 0.504 821 A N 0.275 122.891 122.820 -0.339 0.000 1.865 821 A HA -0.234 4.077 4.320 -0.015 0.000 0.217 821 A C 2.258 179.860 177.584 0.031 0.000 1.191 821 A CA 2.117 54.190 52.037 0.060 0.000 0.623 821 A CB -0.574 18.522 19.000 0.161 0.000 0.826 821 A HN 0.437 nan 8.150 nan 0.000 0.444 822 R N -0.783 119.694 120.500 -0.039 0.000 2.093 822 R HA -0.018 4.313 4.340 -0.015 0.000 0.224 822 R C 1.827 178.105 176.300 -0.038 0.000 1.101 822 R CA 1.431 57.519 56.100 -0.020 0.000 0.979 822 R CB -0.167 30.116 30.300 -0.028 0.000 0.877 822 R HN 0.663 nan 8.270 nan 0.000 0.441 823 E N -0.470 119.667 120.200 -0.105 0.000 2.415 823 E HA 0.094 4.435 4.350 -0.015 0.000 0.197 823 E C 1.425 177.977 176.600 -0.079 0.000 1.007 823 E CA 0.437 56.779 56.400 -0.097 0.000 0.890 823 E CB 0.543 30.156 29.700 -0.144 0.000 0.891 823 E HN 0.281 nan 8.360 nan 0.000 0.496 824 I N -1.140 119.351 120.570 -0.133 0.000 3.739 824 I HA 0.020 4.180 4.170 -0.015 0.000 0.272 824 I C 1.304 177.558 176.117 0.228 0.000 1.167 824 I CA -0.082 61.200 61.300 -0.030 0.000 1.386 824 I CB 0.261 38.103 38.000 -0.262 0.000 1.490 824 I HN 0.106 nan 8.210 nan 0.000 0.452 825 W N 1.533 122.928 121.300 0.158 0.000 2.658 825 W HA 0.320 4.971 4.660 -0.015 0.000 0.263 825 W C 1.462 178.018 176.519 0.061 0.000 1.274 825 W CA 0.817 58.235 57.345 0.122 0.000 1.343 825 W CB -1.111 28.407 29.460 0.097 0.000 1.106 825 W HN 0.313 nan 8.180 nan 0.000 0.615 826 G N 1.260 110.199 108.800 0.231 0.000 2.272 826 G HA2 -0.094 3.857 3.960 -0.015 0.000 0.280 826 G HA3 -0.094 3.857 3.960 -0.015 0.000 0.280 826 G C -0.335 174.636 174.900 0.119 0.000 1.067 826 G CA 0.263 45.440 45.100 0.128 0.000 0.902 826 G HN 0.411 nan 8.290 nan 0.000 0.500 827 V N -4.369 115.633 119.914 0.148 0.000 3.007 827 V HA 0.900 5.011 4.120 -0.015 0.000 0.311 827 V C -0.397 175.756 176.094 0.098 0.000 1.120 827 V CA -1.709 60.659 62.300 0.114 0.000 0.980 827 V CB 2.346 34.242 31.823 0.122 0.000 1.033 827 V HN 0.134 nan 8.190 nan 0.000 0.429 828 E N 3.564 123.805 120.200 0.069 0.000 2.146 828 E HA 0.510 4.851 4.350 -0.015 0.000 0.282 828 E C -2.506 174.130 176.600 0.061 0.000 0.989 828 E CA -1.726 54.708 56.400 0.057 0.000 0.799 828 E CB 1.794 31.520 29.700 0.042 0.000 1.088 828 E HN 0.736 nan 8.360 nan 0.000 0.397 829 P HA 0.061 nan 4.420 nan 0.000 0.269 829 P C -0.491 176.838 177.300 0.049 0.000 1.215 829 P CA -0.244 62.890 63.100 0.058 0.000 0.780 829 P CB 0.856 32.585 31.700 0.049 0.000 0.898 830 S N 1.029 116.760 115.700 0.052 0.000 2.571 830 S HA 0.329 4.789 4.470 -0.015 0.000 0.284 830 S C 0.486 175.112 174.600 0.043 0.000 1.128 830 S CA -0.750 57.479 58.200 0.049 0.000 0.970 830 S CB 0.949 64.186 63.200 0.061 0.000 1.039 830 S HN 0.264 nan 8.310 nan 0.000 0.485 831 R N 2.340 122.861 120.500 0.035 0.000 2.334 831 R HA 0.185 4.516 4.340 -0.015 0.000 0.216 831 R C -0.014 176.299 176.300 0.021 0.000 0.905 831 R CA 0.081 56.199 56.100 0.031 0.000 1.064 831 R CB 0.114 30.432 30.300 0.030 0.000 1.046 831 R HN 0.693 nan 8.270 nan 0.000 0.508 832 Q N 1.017 120.828 119.800 0.019 0.000 2.332 832 Q HA 0.096 4.427 4.340 -0.015 0.000 0.263 832 Q C -0.267 175.726 176.000 -0.011 0.000 0.979 832 Q CA 0.126 55.933 55.803 0.006 0.000 0.885 832 Q CB 0.817 29.563 28.738 0.013 0.000 1.218 832 Q HN -0.212 nan 8.270 nan 0.000 0.405 833 R N 1.537 122.021 120.500 -0.027 0.000 2.590 833 R HA 0.185 4.516 4.340 -0.015 0.000 0.274 833 R C -0.461 175.794 176.300 -0.074 0.000 1.061 833 R CA 0.069 56.139 56.100 -0.049 0.000 1.081 833 R CB 0.343 30.613 30.300 -0.051 0.000 0.984 833 R HN 0.499 nan 8.270 nan 0.000 0.448 834 L N 5.606 126.768 121.223 -0.102 0.000 2.395 834 L HA 0.366 4.697 4.340 -0.015 0.000 0.269 834 L C -1.702 175.103 176.870 -0.109 0.000 1.133 834 L CA -2.020 52.727 54.840 -0.155 0.000 0.812 834 L CB 1.145 43.082 42.059 -0.204 0.000 1.125 834 L HN 0.470 nan 8.230 nan 0.000 0.452 835 P HA 0.081 nan 4.420 nan 0.000 0.268 835 P C -0.669 176.598 177.300 -0.055 0.000 1.204 835 P CA -0.230 62.831 63.100 -0.066 0.000 0.768 835 P CB 0.926 32.593 31.700 -0.056 0.000 0.842 836 A N 0.000 122.797 122.820 -0.039 0.000 2.254 836 A HA 0.000 4.311 4.320 -0.015 0.000 0.244 836 A CA 0.000 52.022 52.037 -0.024 0.000 0.836 836 A CB 0.000 18.988 19.000 -0.020 0.000 0.831 836 A HN 0.000 nan 8.150 nan 0.000 0.486