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 3mrx_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 FNLXXXXXGG 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 0.000 175.984 176.000 -0.027 0.000 1.003 12 Q CA 0.000 55.775 55.803 -0.047 0.000 1.022 12 Q CB 0.000 28.703 28.738 -0.059 0.000 1.108 13 I N -0.453 120.106 120.570 -0.019 0.000 2.493 13 I HA 0.555 4.717 4.170 -0.013 0.000 0.298 13 I C 0.869 176.986 176.117 0.000 0.000 0.998 13 I CA -0.224 61.073 61.300 -0.005 0.000 1.137 13 I CB 2.050 40.051 38.000 0.002 0.000 1.310 13 I HN 0.178 nan 8.210 nan 0.000 0.445 14 S N 3.794 119.499 115.700 0.008 0.000 2.370 14 S HA -0.154 4.309 4.470 -0.013 0.000 0.226 14 S C 1.734 176.343 174.600 0.014 0.000 1.033 14 S CA 2.028 60.234 58.200 0.010 0.000 1.011 14 S CB -0.530 62.680 63.200 0.017 0.000 0.852 14 S HN 0.802 nan 8.310 nan 0.000 0.457 15 V N -0.137 119.793 119.914 0.026 0.000 3.078 15 V HA 0.129 4.242 4.120 -0.013 0.000 0.265 15 V C 2.008 178.115 176.094 0.023 0.000 1.122 15 V CA 1.308 63.627 62.300 0.032 0.000 1.141 15 V CB -1.044 30.807 31.823 0.047 0.000 0.735 15 V HN 0.372 nan 8.190 nan 0.000 0.498 16 R N 1.213 121.718 120.500 0.009 0.000 2.313 16 R HA 0.414 4.746 4.340 -0.013 0.000 0.199 16 R C 1.182 177.472 176.300 -0.017 0.000 0.958 16 R CA 0.587 56.685 56.100 -0.003 0.000 1.047 16 R CB -0.070 30.224 30.300 -0.009 0.000 0.955 16 R HN 0.772 nan 8.270 nan 0.000 0.481 17 G N 0.557 109.347 108.800 -0.017 0.000 2.685 17 G HA2 -0.211 3.742 3.960 -0.013 0.000 0.387 17 G HA3 -0.211 3.742 3.960 -0.013 0.000 0.387 17 G C -0.992 173.892 174.900 -0.027 0.000 1.324 17 G CA -1.081 44.001 45.100 -0.030 0.000 0.878 17 G HN -0.032 nan 8.290 nan 0.000 0.527 18 L N 0.548 121.753 121.223 -0.031 0.000 2.350 18 L HA 0.644 4.976 4.340 -0.013 0.000 0.275 18 L C 1.241 178.096 176.870 -0.025 0.000 1.099 18 L CA 0.446 55.271 54.840 -0.025 0.000 0.808 18 L CB 0.974 43.019 42.059 -0.023 0.000 1.149 18 L HN 1.519 nan 8.230 nan 0.000 0.442 19 A N 2.877 125.686 122.820 -0.019 0.000 3.056 19 A HA 0.586 4.898 4.320 -0.013 0.000 0.328 19 A C 0.679 178.258 177.584 -0.007 0.000 1.233 19 A CA -0.349 51.679 52.037 -0.014 0.000 0.965 19 A CB -0.303 18.689 19.000 -0.014 0.000 1.123 19 A HN 0.788 nan 8.150 nan 0.000 0.502 20 G N -0.150 108.646 108.800 -0.006 0.000 2.483 20 G HA2 0.372 4.324 3.960 -0.013 0.000 0.248 20 G HA3 0.372 4.324 3.960 -0.013 0.000 0.248 20 G C 1.014 175.917 174.900 0.006 0.000 1.248 20 G CA -0.071 45.029 45.100 -0.001 0.000 0.838 20 G HN 0.445 nan 8.290 nan 0.000 0.566 21 V N 1.611 121.529 119.914 0.008 0.000 2.282 21 V HA -0.220 3.893 4.120 -0.013 0.000 0.249 21 V C 2.661 178.764 176.094 0.016 0.000 1.057 21 V CA 2.500 64.807 62.300 0.012 0.000 1.032 21 V CB -0.674 31.155 31.823 0.010 0.000 0.645 21 V HN 0.833 nan 8.190 nan 0.000 0.447 22 E N 0.407 120.616 120.200 0.016 0.000 2.051 22 E HA -0.193 4.149 4.350 -0.013 0.000 0.192 22 E C 2.058 178.678 176.600 0.033 0.000 0.991 22 E CA 1.756 58.170 56.400 0.023 0.000 0.799 22 E CB -0.259 29.453 29.700 0.021 0.000 0.748 22 E HN 0.688 nan 8.360 nan 0.000 0.449 23 N N -1.021 117.697 118.700 0.030 0.000 2.120 23 N HA -0.143 4.589 4.740 -0.013 0.000 0.188 23 N C 1.644 177.179 175.510 0.042 0.000 1.024 23 N CA 1.306 54.380 53.050 0.040 0.000 0.852 23 N CB 0.097 38.594 38.487 0.016 0.000 1.003 23 N HN -0.031 nan 8.380 nan 0.000 0.424 24 V N 0.409 120.339 119.914 0.027 0.000 2.287 24 V HA -0.252 3.861 4.120 -0.013 0.000 0.248 24 V C 2.052 178.166 176.094 0.034 0.000 1.053 24 V CA 1.901 64.216 62.300 0.026 0.000 1.027 24 V CB -0.910 30.924 31.823 0.018 0.000 0.646 24 V HN 0.436 nan 8.190 nan 0.000 0.447 25 T N -0.733 113.840 114.554 0.033 0.000 2.746 25 T HA -0.224 4.119 4.350 -0.013 0.000 0.267 25 T C 1.921 176.652 174.700 0.052 0.000 1.039 25 T CA 1.752 63.873 62.100 0.034 0.000 1.142 25 T CB -0.217 68.668 68.868 0.027 0.000 0.866 25 T HN 0.410 nan 8.240 nan 0.000 0.444 26 E N 0.857 121.095 120.200 0.063 0.000 2.072 26 E HA 0.020 4.363 4.350 -0.013 0.000 0.191 26 E C 2.090 178.763 176.600 0.123 0.000 0.985 26 E CA 0.706 57.156 56.400 0.084 0.000 0.801 26 E CB -0.489 29.266 29.700 0.091 0.000 0.750 26 E HN 0.424 nan 8.360 nan 0.000 0.452 27 L N 0.206 121.510 121.223 0.134 0.000 2.042 27 L HA -0.232 4.100 4.340 -0.013 0.000 0.210 27 L C 2.350 179.323 176.870 0.172 0.000 1.076 27 L CA 1.490 56.432 54.840 0.169 0.000 0.749 27 L CB -0.347 41.785 42.059 0.121 0.000 0.893 27 L HN 0.073 nan 8.230 nan 0.000 0.432 28 K N 0.408 120.870 120.400 0.104 0.000 2.057 28 K HA -0.218 4.094 4.320 -0.013 0.000 0.207 28 K C 2.141 178.836 176.600 0.158 0.000 1.049 28 K CA 1.796 58.136 56.287 0.088 0.000 0.931 28 K CB -0.102 32.414 32.500 0.025 0.000 0.714 28 K HN 0.369 nan 8.250 nan 0.000 0.440 29 K N 0.301 120.775 120.400 0.124 0.000 2.103 29 K HA -0.057 4.256 4.320 -0.013 0.000 0.204 29 K C 1.577 178.255 176.600 0.131 0.000 1.052 29 K CA 1.350 57.703 56.287 0.111 0.000 0.945 29 K CB -0.066 32.475 32.500 0.068 0.000 0.722 29 K HN -0.009 nan 8.250 nan 0.000 0.443 30 N N 0.397 119.186 118.700 0.149 0.000 2.270 30 N HA -0.109 4.623 4.740 -0.013 0.000 0.181 30 N C 1.585 177.230 175.510 0.226 0.000 1.016 30 N CA 0.933 54.062 53.050 0.131 0.000 0.870 30 N CB -0.252 38.324 38.487 0.148 0.000 0.979 30 N HN 0.216 nan 8.380 nan 0.000 0.431 31 F N 2.562 122.604 119.950 0.154 0.000 2.102 31 F HA -0.122 4.398 4.527 -0.012 0.000 0.298 31 F C 2.001 177.899 175.800 0.163 0.000 1.105 31 F CA 1.295 59.404 58.000 0.181 0.000 1.239 31 F CB -0.124 38.957 39.000 0.134 0.000 0.991 31 F HN -0.028 nan 8.300 nan 0.000 0.474 32 N N 0.422 119.342 118.700 0.368 0.000 2.188 32 N HA -0.179 4.554 4.740 -0.013 0.000 0.184 32 N C 2.011 177.601 175.510 0.133 0.000 1.018 32 N CA 1.123 54.314 53.050 0.235 0.000 0.858 32 N CB -0.542 38.062 38.487 0.195 0.000 0.989 32 N HN 0.374 nan 8.380 nan 0.000 0.426 33 R N 0.229 120.802 120.500 0.122 0.000 2.073 33 R HA -0.093 4.240 4.340 -0.013 0.000 0.234 33 R C 1.792 178.177 176.300 0.142 0.000 1.134 33 R CA 1.464 57.664 56.100 0.166 0.000 0.952 33 R CB -0.206 30.108 30.300 0.024 0.000 0.850 33 R HN 0.386 nan 8.270 nan 0.000 0.433 34 H N -0.401 118.712 119.070 0.071 0.000 2.389 34 H HA -0.118 4.431 4.556 -0.013 0.000 0.299 34 H C 1.897 177.149 175.328 -0.127 0.000 1.081 34 H CA 1.361 57.379 56.048 -0.050 0.000 1.345 34 H CB 0.078 29.765 29.762 -0.125 0.000 1.393 34 H HN 0.117 nan 8.280 nan 0.000 0.520 35 L N 0.081 121.273 121.223 -0.053 0.000 2.042 35 L HA -0.218 4.115 4.340 -0.013 0.000 0.210 35 L C 2.207 179.048 176.870 -0.049 0.000 1.076 35 L CA 1.927 56.709 54.840 -0.097 0.000 0.749 35 L CB -0.503 41.514 42.059 -0.070 0.000 0.893 35 L HN 0.312 nan 8.230 nan 0.000 0.432 36 H N -1.748 117.245 119.070 -0.127 0.000 2.266 36 H HA -0.081 4.468 4.556 -0.013 0.000 0.308 36 H C 1.834 176.980 175.328 -0.305 0.000 1.057 36 H CA 2.335 58.219 56.048 -0.273 0.000 1.330 36 H CB -0.320 29.184 29.762 -0.430 0.000 1.400 36 H HN 0.289 nan 8.280 nan 0.000 0.503 37 F N -0.550 119.384 119.950 -0.028 0.000 2.293 37 F HA -0.016 4.504 4.527 -0.013 0.000 0.297 37 F C 2.550 178.280 175.800 -0.116 0.000 1.089 37 F CA 1.353 59.298 58.000 -0.091 0.000 1.377 37 F CB -0.240 38.748 39.000 -0.021 0.000 1.051 37 F HN 0.189 nan 8.300 nan 0.000 0.511 38 T N -0.373 114.218 114.554 0.062 0.000 2.983 38 T HA 0.103 4.446 4.350 -0.013 0.000 0.250 38 T C 1.866 176.461 174.700 -0.175 0.000 1.037 38 T CA 0.771 62.829 62.100 -0.071 0.000 1.142 38 T CB -0.179 68.604 68.868 -0.142 0.000 0.876 38 T HN 0.103 nan 8.240 nan 0.000 0.455 39 L N 1.090 122.207 121.223 -0.176 0.000 2.554 39 L HA 0.228 4.561 4.340 -0.013 0.000 0.225 39 L C 0.292 177.056 176.870 -0.177 0.000 1.104 39 L CA -0.101 54.622 54.840 -0.194 0.000 0.866 39 L CB 0.169 42.116 42.059 -0.188 0.000 1.047 39 L HN -0.040 nan 8.230 nan 0.000 0.468 40 V N 0.344 120.138 119.914 -0.200 0.000 5.820 40 V HA -0.280 3.833 4.120 -0.013 0.000 0.300 40 V C -0.108 175.872 176.094 -0.191 0.000 0.585 40 V CA 1.073 63.230 62.300 -0.237 0.000 0.629 40 V CB -2.272 29.438 31.823 -0.189 0.000 0.291 40 V HN 0.398 nan 8.190 nan 0.000 0.887 41 K N 0.847 121.144 120.400 -0.172 0.000 2.482 41 K HA 0.725 5.037 4.320 -0.013 0.000 0.257 41 K C -0.412 176.158 176.600 -0.050 0.000 0.969 41 K CA -0.466 55.754 56.287 -0.111 0.000 0.842 41 K CB 2.797 35.226 32.500 -0.118 0.000 1.359 41 K HN 0.481 nan 8.250 nan 0.000 0.441 42 D N -0.723 119.670 120.400 -0.012 0.000 2.525 42 D HA 0.318 4.950 4.640 -0.013 0.000 0.249 42 D C 0.693 177.033 176.300 0.066 0.000 1.072 42 D CA -0.665 53.363 54.000 0.047 0.000 1.067 42 D CB 0.789 41.619 40.800 0.050 0.000 1.282 42 D HN 0.106 nan 8.370 nan 0.000 0.587 43 R N -0.138 120.434 120.500 0.121 0.000 2.293 43 R HA 0.005 4.337 4.340 -0.013 0.000 0.219 43 R C 0.789 177.168 176.300 0.132 0.000 1.091 43 R CA 0.476 56.689 56.100 0.188 0.000 1.004 43 R CB -0.700 29.712 30.300 0.186 0.000 0.865 43 R HN 0.507 nan 8.270 nan 0.000 0.469 44 N N 0.311 119.054 118.700 0.072 0.000 2.354 44 N HA -0.076 4.657 4.740 -0.013 0.000 0.179 44 N C 1.620 177.149 175.510 0.031 0.000 1.021 44 N CA 1.251 54.331 53.050 0.050 0.000 0.887 44 N CB 0.265 38.770 38.487 0.031 0.000 0.974 44 N HN 0.226 nan 8.380 nan 0.000 0.437 45 V N -3.183 116.736 119.914 0.009 0.000 3.432 45 V HA 0.542 4.655 4.120 -0.013 0.000 0.298 45 V C 0.720 176.777 176.094 -0.061 0.000 1.464 45 V CA -0.599 61.690 62.300 -0.019 0.000 1.046 45 V CB -0.285 31.522 31.823 -0.026 0.000 0.887 45 V HN 0.056 nan 8.190 nan 0.000 0.441 46 A N 2.377 125.139 122.820 -0.097 0.000 2.450 46 A HA 0.572 4.884 4.320 -0.013 0.000 0.255 46 A C 0.781 178.175 177.584 -0.318 0.000 1.096 46 A CA 0.743 52.608 52.037 -0.287 0.000 0.778 46 A CB -0.145 18.551 19.000 -0.507 0.000 1.031 46 A HN 0.807 nan 8.150 nan 0.000 0.494 47 T N 0.671 115.055 114.554 -0.283 0.000 2.902 47 T HA 0.482 4.825 4.350 -0.013 0.000 0.280 47 T C -1.957 172.631 174.700 -0.186 0.000 0.992 47 T CA -1.628 60.379 62.100 -0.154 0.000 1.015 47 T CB 0.988 69.813 68.868 -0.071 0.000 1.044 47 T HN 0.287 nan 8.240 nan 0.000 0.520 48 P HA -0.086 nan 4.420 nan 0.000 0.217 48 P C 1.597 178.989 177.300 0.154 0.000 1.148 48 P CA 0.924 64.134 63.100 0.183 0.000 0.828 48 P CB 0.040 31.830 31.700 0.150 0.000 0.783 49 R N 0.057 120.599 120.500 0.070 0.000 2.075 49 R HA -0.135 4.198 4.340 -0.013 0.000 0.232 49 R C 1.685 178.140 176.300 0.258 0.000 1.126 49 R CA 1.719 57.897 56.100 0.131 0.000 0.963 49 R CB -0.685 29.626 30.300 0.018 0.000 0.858 49 R HN 0.090 nan 8.270 nan 0.000 0.435 50 D N -0.257 120.182 120.400 0.065 0.000 2.123 50 D HA -0.208 4.424 4.640 -0.013 0.000 0.196 50 D C 1.723 178.036 176.300 0.022 0.000 0.992 50 D CA 1.402 55.394 54.000 -0.014 0.000 0.833 50 D CB -0.314 40.337 40.800 -0.249 0.000 0.954 50 D HN 0.317 nan 8.370 nan 0.000 0.455 51 Y N 0.067 120.466 120.300 0.164 0.000 2.200 51 Y HA -0.199 4.344 4.550 -0.012 0.000 0.290 51 Y C 2.338 178.378 175.900 0.234 0.000 1.137 51 Y CA 0.307 58.552 58.100 0.241 0.000 1.163 51 Y CB -1.209 37.449 38.460 0.330 0.000 0.988 51 Y HN 0.086 nan 8.280 nan 0.000 0.518 52 Y N -0.397 120.044 120.300 0.235 0.000 2.128 52 Y HA -0.308 4.234 4.550 -0.013 0.000 0.284 52 Y C 2.010 177.899 175.900 -0.018 0.000 1.154 52 Y CA 1.412 59.551 58.100 0.066 0.000 1.149 52 Y CB -1.151 37.242 38.460 -0.111 0.000 0.976 52 Y HN 0.051 nan 8.280 nan 0.000 0.505 53 F N 0.177 119.939 119.950 -0.313 0.000 2.171 53 F HA -0.151 4.369 4.527 -0.012 0.000 0.300 53 F C 2.657 178.291 175.800 -0.277 0.000 1.090 53 F CA 1.302 59.059 58.000 -0.404 0.000 1.293 53 F CB -0.823 38.084 39.000 -0.156 0.000 1.013 53 F HN 0.209 nan 8.300 nan 0.000 0.486 54 A N -0.141 122.612 122.820 -0.112 0.000 1.902 54 A HA -0.193 4.120 4.320 -0.013 0.000 0.217 54 A C 2.055 179.531 177.584 -0.180 0.000 1.181 54 A CA 1.622 53.464 52.037 -0.324 0.000 0.623 54 A CB -1.020 17.454 19.000 -0.876 0.000 0.818 54 A HN 0.351 nan 8.150 nan 0.000 0.443 55 L N -0.243 120.996 121.223 0.026 0.000 2.027 55 L HA -0.024 4.308 4.340 -0.013 0.000 0.206 55 L C 2.673 179.566 176.870 0.039 0.000 1.074 55 L CA 2.193 57.178 54.840 0.242 0.000 0.745 55 L CB -0.953 41.310 42.059 0.340 0.000 0.898 55 L HN 0.341 nan 8.230 nan 0.000 0.433 56 A N -1.270 121.411 122.820 -0.231 0.000 1.908 56 A HA -0.287 4.026 4.320 -0.013 0.000 0.218 56 A C 2.151 179.475 177.584 -0.432 0.000 1.181 56 A CA 2.021 53.829 52.037 -0.381 0.000 0.627 56 A CB -1.086 17.384 19.000 -0.884 0.000 0.818 56 A HN 0.667 nan 8.150 nan 0.000 0.445 57 H N -0.780 118.013 119.070 -0.461 0.000 2.387 57 H HA -0.058 4.490 4.556 -0.013 0.000 0.299 57 H C 2.349 177.465 175.328 -0.353 0.000 1.090 57 H CA 2.028 57.724 56.048 -0.587 0.000 1.332 57 H CB -0.286 28.836 29.762 -1.067 0.000 1.386 57 H HN 0.454 nan 8.280 nan 0.000 0.516 58 T N -0.380 114.187 114.554 0.021 0.000 2.746 58 T HA -0.128 4.214 4.350 -0.013 0.000 0.267 58 T C 2.258 177.134 174.700 0.294 0.000 1.039 58 T CA 1.355 63.623 62.100 0.280 0.000 1.142 58 T CB -0.374 68.711 68.868 0.362 0.000 0.866 58 T HN 0.089 nan 8.240 nan 0.000 0.444 59 V N 2.431 122.484 119.914 0.232 0.000 2.307 59 V HA -0.167 3.946 4.120 -0.013 0.000 0.245 59 V C 2.643 178.906 176.094 0.281 0.000 1.045 59 V CA 1.982 64.447 62.300 0.276 0.000 1.024 59 V CB -0.682 31.295 31.823 0.256 0.000 0.651 59 V HN 0.518 nan 8.190 nan 0.000 0.449 60 R N 0.426 121.037 120.500 0.185 0.000 2.152 60 R HA -0.188 4.145 4.340 -0.013 0.000 0.232 60 R C 1.688 178.068 176.300 0.134 0.000 1.117 60 R CA 1.988 58.189 56.100 0.169 0.000 0.981 60 R CB -0.714 29.553 30.300 -0.054 0.000 0.870 60 R HN 0.369 nan 8.270 nan 0.000 0.451 61 D N 0.752 121.221 120.400 0.115 0.000 2.158 61 D HA -0.176 4.457 4.640 -0.013 0.000 0.197 61 D C 1.679 177.987 176.300 0.013 0.000 0.995 61 D CA 1.201 55.243 54.000 0.071 0.000 0.846 61 D CB -0.363 40.476 40.800 0.065 0.000 0.941 61 D HN 0.479 nan 8.370 nan 0.000 0.456 62 H N -0.367 118.758 119.070 0.093 0.000 2.495 62 H HA 0.052 4.600 4.556 -0.012 0.000 0.287 62 H C 2.172 177.534 175.328 0.057 0.000 1.033 62 H CA 0.388 56.477 56.048 0.067 0.000 1.307 62 H CB 0.276 30.071 29.762 0.055 0.000 1.401 62 H HN 0.206 nan 8.280 nan 0.000 0.555 63 L N 0.760 122.084 121.223 0.169 0.000 2.240 63 L HA -0.095 4.237 4.340 -0.013 0.000 0.211 63 L C 2.727 179.695 176.870 0.164 0.000 1.106 63 L CA 0.304 55.210 54.840 0.110 0.000 0.793 63 L CB -0.130 41.954 42.059 0.041 0.000 0.927 63 L HN 0.115 nan 8.230 nan 0.000 0.446 64 V N -2.342 117.679 119.914 0.179 0.000 2.295 64 V HA -0.121 3.992 4.120 -0.013 0.000 0.246 64 V C 2.318 178.517 176.094 0.175 0.000 1.049 64 V CA 2.023 64.460 62.300 0.228 0.000 1.024 64 V CB -1.677 30.240 31.823 0.156 0.000 0.648 64 V HN 0.343 nan 8.190 nan 0.000 0.447 65 G N 0.109 108.969 108.800 0.100 0.000 2.421 65 G HA2 -0.223 3.730 3.960 -0.013 0.000 0.216 65 G HA3 -0.223 3.730 3.960 -0.013 0.000 0.216 65 G C 1.754 176.698 174.900 0.073 0.000 1.171 65 G CA 0.935 46.073 45.100 0.063 0.000 0.775 65 G HN 0.540 nan 8.290 nan 0.000 0.543 66 R N -1.364 119.186 120.500 0.084 0.000 2.081 66 R HA -0.096 4.237 4.340 -0.013 0.000 0.235 66 R C 2.260 178.640 176.300 0.132 0.000 1.131 66 R CA 1.256 57.395 56.100 0.065 0.000 0.960 66 R CB -0.364 29.957 30.300 0.036 0.000 0.856 66 R HN 0.475 nan 8.270 nan 0.000 0.436 67 W N 1.460 122.737 121.300 -0.037 0.000 2.355 67 W HA -0.084 4.569 4.660 -0.012 0.000 0.309 67 W C 1.753 178.244 176.519 -0.047 0.000 1.206 67 W CA 0.965 58.286 57.345 -0.040 0.000 1.284 67 W CB -0.633 28.820 29.460 -0.013 0.000 1.145 67 W HN -0.025 nan 8.180 nan 0.000 0.502 68 I N 1.003 121.629 120.570 0.093 0.000 2.226 68 I HA -0.345 3.817 4.170 -0.013 0.000 0.245 68 I C 2.719 178.821 176.117 -0.025 0.000 1.100 68 I CA 2.038 63.311 61.300 -0.046 0.000 1.374 68 I CB -0.623 37.352 38.000 -0.042 0.000 1.057 68 I HN -0.025 nan 8.210 nan 0.000 0.413 69 R N 0.287 120.787 120.500 -0.000 0.000 2.148 69 R HA -0.048 4.285 4.340 -0.013 0.000 0.223 69 R C 1.917 178.183 176.300 -0.057 0.000 1.088 69 R CA 1.517 57.605 56.100 -0.018 0.000 0.985 69 R CB -1.215 29.075 30.300 -0.018 0.000 0.880 69 R HN 0.184 nan 8.270 nan 0.000 0.451 70 T N 1.759 116.260 114.554 -0.088 0.000 2.674 70 T HA -0.112 4.231 4.350 -0.013 0.000 0.265 70 T C 1.842 176.295 174.700 -0.411 0.000 1.039 70 T CA 1.428 63.367 62.100 -0.267 0.000 1.150 70 T CB -0.127 68.622 68.868 -0.199 0.000 0.864 70 T HN 0.251 nan 8.240 nan 0.000 0.427 71 Q N 0.762 120.466 119.800 -0.161 0.000 2.119 71 Q HA -0.084 4.248 4.340 -0.013 0.000 0.201 71 Q C 2.352 178.374 176.000 0.036 0.000 0.972 71 Q CA 1.258 57.041 55.803 -0.034 0.000 0.847 71 Q CB -0.490 28.248 28.738 0.001 0.000 0.903 71 Q HN 0.489 nan 8.270 nan 0.000 0.433 72 Q N 0.177 119.983 119.800 0.011 0.000 2.084 72 Q HA -0.189 4.144 4.340 -0.013 0.000 0.202 72 Q C 1.930 178.016 176.000 0.144 0.000 0.978 72 Q CA 1.916 57.766 55.803 0.078 0.000 0.844 72 Q CB -0.377 28.385 28.738 0.040 0.000 0.898 72 Q HN 0.552 nan 8.270 nan 0.000 0.426 73 H N -1.000 118.043 119.070 -0.044 0.000 2.319 73 H HA -0.194 4.355 4.556 -0.012 0.000 0.299 73 H C 1.248 176.630 175.328 0.088 0.000 1.092 73 H CA 2.343 58.369 56.048 -0.036 0.000 1.302 73 H CB -0.347 29.324 29.762 -0.152 0.000 1.373 73 H HN 0.364 nan 8.280 nan 0.000 0.497 74 Y N -0.948 119.392 120.300 0.068 0.000 2.224 74 Y HA -0.218 4.324 4.550 -0.013 0.000 0.289 74 Y C 2.500 178.424 175.900 0.041 0.000 1.146 74 Y CA 1.163 59.273 58.100 0.016 0.000 1.182 74 Y CB -1.402 37.124 38.460 0.111 0.000 0.983 74 Y HN 0.385 nan 8.280 nan 0.000 0.524 75 Y N 1.198 121.578 120.300 0.133 0.000 2.200 75 Y HA -0.171 4.372 4.550 -0.013 0.000 0.290 75 Y C 2.085 177.994 175.900 0.014 0.000 1.137 75 Y CA 1.753 59.894 58.100 0.068 0.000 1.163 75 Y CB -0.037 38.456 38.460 0.056 0.000 0.988 75 Y HN 0.033 nan 8.280 nan 0.000 0.518 76 E N 0.315 120.506 120.200 -0.015 0.000 2.076 76 E HA -0.126 4.216 4.350 -0.013 0.000 0.190 76 E C 1.945 178.450 176.600 -0.158 0.000 0.979 76 E CA 1.078 57.410 56.400 -0.113 0.000 0.807 76 E CB -0.191 29.512 29.700 0.005 0.000 0.761 76 E HN 0.514 nan 8.360 nan 0.000 0.454 77 K N 0.619 120.912 120.400 -0.180 0.000 2.305 77 K HA -0.063 4.249 4.320 -0.013 0.000 0.199 77 K C -0.036 176.492 176.600 -0.119 0.000 1.047 77 K CA 0.356 56.539 56.287 -0.173 0.000 0.976 77 K CB 0.094 32.422 32.500 -0.288 0.000 0.765 77 K HN -0.047 nan 8.250 nan 0.000 0.474 78 D N 1.072 121.410 120.400 -0.104 0.000 2.697 78 D HA -0.101 4.532 4.640 -0.013 0.000 0.235 78 D C -2.465 173.801 176.300 -0.057 0.000 1.167 78 D CA 0.116 54.068 54.000 -0.081 0.000 0.656 78 D CB -0.135 40.590 40.800 -0.126 0.000 1.025 78 D HN 0.171 nan 8.370 nan 0.000 0.419 79 P HA 0.093 nan 4.420 nan 0.000 0.274 79 P C -0.110 177.147 177.300 -0.072 0.000 1.256 79 P CA -0.538 62.527 63.100 -0.060 0.000 0.795 79 P CB 0.600 32.258 31.700 -0.070 0.000 1.038 80 K N 1.264 121.626 120.400 -0.062 0.000 2.484 80 K HA 0.016 4.328 4.320 -0.013 0.000 0.280 80 K C -0.051 176.462 176.600 -0.145 0.000 1.013 80 K CA 0.137 56.380 56.287 -0.074 0.000 1.029 80 K CB 0.166 32.640 32.500 -0.042 0.000 0.902 80 K HN 0.267 nan 8.250 nan 0.000 0.481 81 R N 3.567 123.964 120.500 -0.172 0.000 2.428 81 R HA 0.363 4.696 4.340 -0.013 0.000 0.294 81 R C -0.528 175.490 176.300 -0.470 0.000 1.000 81 R CA -0.531 55.377 56.100 -0.320 0.000 0.960 81 R CB 0.903 31.012 30.300 -0.319 0.000 1.076 81 R HN 0.496 nan 8.270 nan 0.000 0.475 82 I N 4.015 124.242 120.570 -0.571 0.000 2.339 82 I HA 0.224 4.386 4.170 -0.013 0.000 0.290 82 I C -0.760 175.031 176.117 -0.544 0.000 0.994 82 I CA -0.777 60.145 61.300 -0.629 0.000 1.191 82 I CB 0.969 38.479 38.000 -0.816 0.000 1.343 82 I HN 0.540 nan 8.210 nan 0.000 0.458 83 Y N 5.862 126.120 120.300 -0.070 0.000 2.356 83 Y HA 0.294 4.837 4.550 -0.012 0.000 0.334 83 Y C -0.307 175.691 175.900 0.164 0.000 0.958 83 Y CA -0.732 57.449 58.100 0.135 0.000 1.196 83 Y CB 1.174 39.666 38.460 0.055 0.000 1.137 83 Y HN 0.400 nan 8.280 nan 0.000 0.485 84 Y N 4.568 125.047 120.300 0.298 0.000 2.518 84 Y HA 0.479 5.022 4.550 -0.012 0.000 0.344 84 Y C -1.222 174.943 175.900 0.442 0.000 0.982 84 Y CA -0.921 57.363 58.100 0.308 0.000 1.234 84 Y CB 0.287 38.929 38.460 0.303 0.000 1.114 84 Y HN 0.521 nan 8.280 nan 0.000 0.515 85 L N 5.012 126.300 121.223 0.108 0.000 2.265 85 L HA 0.470 4.802 4.340 -0.013 0.000 0.288 85 L C -0.178 176.726 176.870 0.058 0.000 1.058 85 L CA 0.186 55.145 54.840 0.197 0.000 0.809 85 L CB 1.294 43.428 42.059 0.126 0.000 1.179 85 L HN 0.567 nan 8.230 nan 0.000 0.429 86 S N 2.415 118.233 115.700 0.197 0.000 2.541 86 S HA 0.511 4.974 4.470 -0.013 0.000 0.271 86 S C 0.275 174.976 174.600 0.169 0.000 1.133 86 S CA -0.522 57.688 58.200 0.016 0.000 0.876 86 S CB 1.074 64.044 63.200 -0.382 0.000 1.105 86 S HN 0.473 nan 8.310 nan 0.000 0.470 87 L N 2.662 124.013 121.223 0.214 0.000 2.591 87 L HA 0.431 4.764 4.340 -0.013 0.000 0.228 87 L C 0.280 177.352 176.870 0.336 0.000 1.133 87 L CA 0.961 55.993 54.840 0.320 0.000 0.880 87 L CB -0.069 42.190 42.059 0.334 0.000 1.033 87 L HN 0.638 nan 8.230 nan 0.000 0.450 88 E N -1.177 119.092 120.200 0.115 0.000 2.275 88 E HA 0.389 4.732 4.350 -0.013 0.000 0.270 88 E C -1.395 175.091 176.600 -0.189 0.000 0.882 88 E CA -0.415 56.034 56.400 0.082 0.000 0.758 88 E CB 1.788 31.512 29.700 0.038 0.000 1.195 88 E HN -0.161 nan 8.360 nan 0.000 0.419 89 F N 2.265 122.321 119.950 0.178 0.000 2.610 89 F HA 0.189 4.708 4.527 -0.013 0.000 0.355 89 F C -0.806 175.075 175.800 0.136 0.000 1.140 89 F CA -0.796 57.295 58.000 0.151 0.000 1.037 89 F CB 0.981 40.063 39.000 0.136 0.000 1.287 89 F HN 0.482 nan 8.300 nan 0.000 0.457 90 Y N 5.343 125.713 120.300 0.116 0.000 2.714 90 Y HA 0.244 4.786 4.550 -0.012 0.000 0.333 90 Y C 0.798 176.714 175.900 0.027 0.000 1.220 90 Y CA -1.097 57.022 58.100 0.032 0.000 1.513 90 Y CB 0.405 38.864 38.460 -0.001 0.000 1.435 90 Y HN 0.556 nan 8.280 nan 0.000 0.489 91 M N 1.740 121.486 119.600 0.243 0.000 2.388 91 M HA 0.139 4.611 4.480 -0.013 0.000 0.265 91 M C 1.561 177.845 176.300 -0.027 0.000 1.088 91 M CA 1.022 56.366 55.300 0.073 0.000 1.134 91 M CB -1.165 31.452 32.600 0.028 0.000 1.384 91 M HN 0.713 nan 8.290 nan 0.000 0.447 92 G N 1.359 110.161 108.800 0.005 0.000 2.552 92 G HA2 -0.283 3.670 3.960 -0.013 0.000 0.265 92 G HA3 -0.283 3.670 3.960 -0.013 0.000 0.265 92 G C -0.200 174.660 174.900 -0.066 0.000 1.234 92 G CA -0.250 44.810 45.100 -0.067 0.000 0.944 92 G HN 0.441 nan 8.290 nan 0.000 0.568 93 R N -0.666 119.773 120.500 -0.103 0.000 2.531 93 R HA 0.561 4.894 4.340 -0.013 0.000 0.273 93 R C 1.074 177.248 176.300 -0.211 0.000 1.070 93 R CA 0.331 56.374 56.100 -0.094 0.000 1.112 93 R CB 0.718 30.973 30.300 -0.076 0.000 1.049 93 R HN 0.518 nan 8.270 nan 0.000 0.508 94 T N 1.188 115.551 114.554 -0.318 0.000 2.969 94 T HA -0.005 4.338 4.350 -0.013 0.000 0.250 94 T C 1.405 175.693 174.700 -0.687 0.000 1.021 94 T CA -0.143 61.543 62.100 -0.690 0.000 1.003 94 T CB 0.147 68.201 68.868 -1.356 0.000 1.040 94 T HN 0.303 nan 8.240 nan 0.000 0.492 95 L N 1.966 123.017 121.223 -0.286 0.000 1.976 95 L HA -0.018 4.314 4.340 -0.013 0.000 0.209 95 L C 2.475 179.308 176.870 -0.062 0.000 1.071 95 L CA 2.013 56.855 54.840 0.003 0.000 0.746 95 L CB -0.726 41.551 42.059 0.364 0.000 0.890 95 L HN 0.177 nan 8.230 nan 0.000 0.432 96 Q N -0.744 119.020 119.800 -0.061 0.000 2.084 96 Q HA -0.259 4.074 4.340 -0.013 0.000 0.202 96 Q C 2.237 178.162 176.000 -0.124 0.000 0.978 96 Q CA 1.917 57.676 55.803 -0.072 0.000 0.844 96 Q CB -0.326 28.367 28.738 -0.075 0.000 0.898 96 Q HN 0.692 nan 8.270 nan 0.000 0.426 97 N N -1.012 117.572 118.700 -0.192 0.000 2.104 97 N HA -0.153 4.580 4.740 -0.013 0.000 0.190 97 N C 1.360 176.758 175.510 -0.187 0.000 1.024 97 N CA 1.821 54.747 53.050 -0.206 0.000 0.853 97 N CB 0.047 38.377 38.487 -0.263 0.000 1.008 97 N HN 0.236 nan 8.380 nan 0.000 0.424 98 T N 1.231 115.640 114.554 -0.241 0.000 2.777 98 T HA -0.055 4.287 4.350 -0.013 0.000 0.266 98 T C 2.062 176.700 174.700 -0.104 0.000 1.040 98 T CA 1.053 63.034 62.100 -0.197 0.000 1.141 98 T CB -0.066 68.652 68.868 -0.250 0.000 0.868 98 T HN 0.270 nan 8.240 nan 0.000 0.444 99 M N 0.586 120.141 119.600 -0.076 0.000 2.117 99 M HA -0.083 4.389 4.480 -0.013 0.000 0.262 99 M C 2.477 178.741 176.300 -0.059 0.000 1.065 99 M CA 1.210 56.478 55.300 -0.053 0.000 1.114 99 M CB -0.638 31.947 32.600 -0.025 0.000 1.361 99 M HN 0.096 nan 8.290 nan 0.000 0.408 100 V N 0.988 120.872 119.914 -0.051 0.000 2.287 100 V HA -0.280 3.833 4.120 -0.013 0.000 0.248 100 V C 1.761 177.860 176.094 0.008 0.000 1.053 100 V CA 1.971 64.266 62.300 -0.007 0.000 1.027 100 V CB -0.869 30.952 31.823 -0.003 0.000 0.646 100 V HN 0.477 nan 8.190 nan 0.000 0.447 101 N N -0.456 118.233 118.700 -0.018 0.000 2.459 101 N HA -0.025 4.707 4.740 -0.013 0.000 0.181 101 N C 1.045 176.455 175.510 -0.165 0.000 1.046 101 N CA 0.645 53.667 53.050 -0.047 0.000 0.904 101 N CB -0.027 38.442 38.487 -0.029 0.000 0.964 101 N HN 0.284 nan 8.380 nan 0.000 0.444 102 L N -0.328 120.815 121.223 -0.134 0.000 2.693 102 L HA 0.411 4.744 4.340 -0.013 0.000 0.235 102 L C 0.578 177.359 176.870 -0.149 0.000 1.127 102 L CA -0.251 54.507 54.840 -0.137 0.000 0.914 102 L CB -0.713 41.286 42.059 -0.101 0.000 1.193 102 L HN 0.086 nan 8.230 nan 0.000 0.502 103 A N -0.459 122.272 122.820 -0.149 0.000 2.869 103 A HA -0.216 4.097 4.320 -0.013 0.000 0.280 103 A C 1.042 178.566 177.584 -0.100 0.000 1.458 103 A CA 0.943 52.906 52.037 -0.124 0.000 0.776 103 A CB -1.937 16.976 19.000 -0.145 0.000 1.028 103 A HN 0.210 nan 8.150 nan 0.000 0.547 104 L N -0.826 120.338 121.223 -0.097 0.000 2.693 104 L HA 0.260 4.592 4.340 -0.013 0.000 0.235 104 L C 1.797 178.631 176.870 -0.061 0.000 1.127 104 L CA 1.512 56.291 54.840 -0.102 0.000 0.914 104 L CB -0.298 41.673 42.059 -0.147 0.000 1.193 104 L HN 0.627 nan 8.230 nan 0.000 0.502 105 E N -0.165 120.008 120.200 -0.045 0.000 2.038 105 E HA -0.230 4.113 4.350 -0.013 0.000 0.195 105 E C 1.575 178.162 176.600 -0.021 0.000 1.000 105 E CA 1.401 57.786 56.400 -0.026 0.000 0.803 105 E CB 0.273 29.960 29.700 -0.022 0.000 0.750 105 E HN 0.394 nan 8.360 nan 0.000 0.448 106 N N 0.055 118.740 118.700 -0.026 0.000 2.188 106 N HA -0.121 4.612 4.740 -0.013 0.000 0.184 106 N C 1.555 177.052 175.510 -0.022 0.000 1.018 106 N CA 1.189 54.224 53.050 -0.025 0.000 0.858 106 N CB -0.364 38.107 38.487 -0.027 0.000 0.989 106 N HN 0.216 nan 8.380 nan 0.000 0.426 107 A N 0.453 123.257 122.820 -0.026 0.000 1.877 107 A HA -0.155 4.158 4.320 -0.013 0.000 0.216 107 A C 2.664 180.242 177.584 -0.010 0.000 1.186 107 A CA 1.416 53.441 52.037 -0.021 0.000 0.620 107 A CB -1.028 17.951 19.000 -0.036 0.000 0.822 107 A HN 0.443 nan 8.150 nan 0.000 0.443 108 C N -0.866 118.429 119.300 -0.009 0.000 2.440 108 C HA -0.066 4.386 4.460 -0.013 0.000 0.278 108 C C 2.477 177.470 174.990 0.006 0.000 1.295 108 C CA 1.015 60.039 59.018 0.009 0.000 1.738 108 C CB -1.121 26.637 27.740 0.028 0.000 1.987 108 C HN 0.673 nan 8.230 nan 0.000 0.492 109 D N 0.739 121.141 120.400 0.004 0.000 2.092 109 D HA -0.149 4.483 4.640 -0.013 0.000 0.193 109 D C 2.121 178.436 176.300 0.026 0.000 0.994 109 D CA 1.590 55.594 54.000 0.007 0.000 0.828 109 D CB -0.294 40.498 40.800 -0.013 0.000 0.963 109 D HN 0.453 nan 8.370 nan 0.000 0.450 110 E N 0.391 120.601 120.200 0.016 0.000 2.051 110 E HA -0.104 4.238 4.350 -0.013 0.000 0.192 110 E C 1.893 178.530 176.600 0.062 0.000 0.991 110 E CA 1.749 58.180 56.400 0.051 0.000 0.799 110 E CB -0.614 29.100 29.700 0.023 0.000 0.748 110 E HN 0.222 nan 8.360 nan 0.000 0.449 111 A N -0.223 122.602 122.820 0.008 0.000 1.908 111 A HA -0.221 4.092 4.320 -0.013 0.000 0.218 111 A C 2.488 180.001 177.584 -0.118 0.000 1.181 111 A CA 2.906 54.921 52.037 -0.037 0.000 0.627 111 A CB -1.404 17.579 19.000 -0.027 0.000 0.818 111 A HN 0.528 nan 8.150 nan 0.000 0.445 112 T N -3.852 110.628 114.554 -0.124 0.000 2.857 112 T HA -0.180 4.163 4.350 -0.013 0.000 0.266 112 T C 1.859 176.480 174.700 -0.131 0.000 1.048 112 T CA 1.422 63.389 62.100 -0.222 0.000 1.139 112 T CB -0.601 68.172 68.868 -0.158 0.000 0.874 112 T HN 0.449 nan 8.240 nan 0.000 0.455 113 Y N 2.276 122.499 120.300 -0.130 0.000 2.128 113 Y HA -0.137 4.406 4.550 -0.012 0.000 0.284 113 Y C 2.609 178.449 175.900 -0.100 0.000 1.154 113 Y CA 1.670 59.712 58.100 -0.096 0.000 1.149 113 Y CB -0.571 37.851 38.460 -0.063 0.000 0.976 113 Y HN 0.247 nan 8.280 nan 0.000 0.505 114 Q N -0.953 118.760 119.800 -0.144 0.000 2.291 114 Q HA -0.121 4.212 4.340 -0.013 0.000 0.205 114 Q C 1.430 177.295 176.000 -0.224 0.000 0.970 114 Q CA 0.828 56.509 55.803 -0.203 0.000 0.876 114 Q CB -0.058 28.639 28.738 -0.068 0.000 0.935 114 Q HN 0.358 nan 8.270 nan 0.000 0.455 115 L N -1.044 120.031 121.223 -0.246 0.000 2.591 115 L HA 0.166 4.498 4.340 -0.013 0.000 0.228 115 L C 1.075 177.781 176.870 -0.273 0.000 1.133 115 L CA 1.106 55.787 54.840 -0.264 0.000 0.880 115 L CB -0.195 41.626 42.059 -0.397 0.000 1.033 115 L HN 0.289 nan 8.230 nan 0.000 0.450 116 G N -0.093 108.530 108.800 -0.294 0.000 2.171 116 G HA2 -0.237 3.716 3.960 -0.013 0.000 0.238 116 G HA3 -0.237 3.716 3.960 -0.013 0.000 0.238 116 G C 0.025 174.794 174.900 -0.218 0.000 1.039 116 G CA 0.254 45.198 45.100 -0.261 0.000 0.759 116 G HN 0.270 nan 8.290 nan 0.000 0.501 117 L N -0.324 120.771 121.223 -0.214 0.000 2.370 117 L HA 0.600 4.932 4.340 -0.013 0.000 0.266 117 L C -0.652 176.192 176.870 -0.043 0.000 1.002 117 L CA -1.200 53.543 54.840 -0.162 0.000 0.818 117 L CB 1.939 43.838 42.059 -0.267 0.000 1.325 117 L HN 0.082 nan 8.230 nan 0.000 0.418 118 D N 2.074 122.477 120.400 0.005 0.000 2.359 118 D HA 0.181 4.814 4.640 -0.013 0.000 0.230 118 D C 0.595 176.927 176.300 0.053 0.000 1.118 118 D CA -0.210 53.819 54.000 0.049 0.000 0.844 118 D CB 1.564 42.398 40.800 0.056 0.000 1.059 118 D HN 0.510 nan 8.370 nan 0.000 0.493 119 M N 3.188 122.819 119.600 0.052 0.000 2.213 119 M HA -0.121 4.351 4.480 -0.013 0.000 0.263 119 M C 1.287 177.632 176.300 0.075 0.000 1.062 119 M CA 1.442 56.781 55.300 0.066 0.000 1.105 119 M CB 0.228 32.859 32.600 0.052 0.000 1.385 119 M HN 0.416 nan 8.290 nan 0.000 0.417 120 E N -0.154 120.081 120.200 0.058 0.000 2.106 120 E HA -0.249 4.093 4.350 -0.013 0.000 0.192 120 E C 1.833 178.470 176.600 0.062 0.000 0.984 120 E CA 1.323 57.755 56.400 0.053 0.000 0.806 120 E CB -0.146 29.581 29.700 0.045 0.000 0.750 120 E HN 0.632 nan 8.360 nan 0.000 0.458 121 E N 0.501 120.742 120.200 0.069 0.000 2.072 121 E HA -0.198 4.145 4.350 -0.013 0.000 0.191 121 E C 1.949 178.599 176.600 0.083 0.000 0.985 121 E CA 0.596 57.040 56.400 0.073 0.000 0.801 121 E CB 0.169 29.913 29.700 0.074 0.000 0.750 121 E HN 0.076 nan 8.360 nan 0.000 0.452 122 L N 1.522 122.814 121.223 0.116 0.000 2.083 122 L HA -0.159 4.173 4.340 -0.013 0.000 0.209 122 L C 2.092 179.042 176.870 0.133 0.000 1.083 122 L CA 1.676 56.621 54.840 0.174 0.000 0.752 122 L CB -0.800 41.406 42.059 0.245 0.000 0.899 122 L HN 0.160 nan 8.230 nan 0.000 0.433 123 E N -0.723 119.540 120.200 0.106 0.000 2.153 123 E HA -0.200 4.143 4.350 -0.013 0.000 0.194 123 E C 1.826 178.405 176.600 -0.035 0.000 0.988 123 E CA 0.832 57.267 56.400 0.059 0.000 0.811 123 E CB 0.011 29.742 29.700 0.053 0.000 0.746 123 E HN 0.424 nan 8.360 nan 0.000 0.466 124 E N 0.241 120.431 120.200 -0.016 0.000 2.409 124 E HA -0.110 4.232 4.350 -0.013 0.000 0.198 124 E C 1.865 178.414 176.600 -0.085 0.000 1.024 124 E CA 0.526 56.913 56.400 -0.020 0.000 0.861 124 E CB 0.043 29.765 29.700 0.038 0.000 0.788 124 E HN 0.414 nan 8.360 nan 0.000 0.521 125 I N 0.842 121.302 120.570 -0.183 0.000 2.500 125 I HA -0.115 4.048 4.170 -0.013 0.000 0.252 125 I C 1.424 177.243 176.117 -0.496 0.000 1.142 125 I CA 0.284 61.402 61.300 -0.304 0.000 1.451 125 I CB 0.076 37.897 38.000 -0.299 0.000 1.093 125 I HN -0.019 nan 8.210 nan 0.000 0.430 126 E N 2.678 122.467 120.200 -0.685 0.000 2.414 126 E HA -0.049 4.294 4.350 -0.013 0.000 0.263 126 E C -0.268 176.247 176.600 -0.142 0.000 1.000 126 E CA -0.247 55.811 56.400 -0.570 0.000 0.914 126 E CB 0.605 30.104 29.700 -0.335 0.000 0.948 126 E HN 0.093 nan 8.360 nan 0.000 0.444 127 E N 3.440 123.653 120.200 0.021 0.000 2.354 127 E HA 0.057 4.399 4.350 -0.013 0.000 0.269 127 E C -0.731 175.973 176.600 0.172 0.000 1.036 127 E CA -0.207 56.289 56.400 0.161 0.000 0.876 127 E CB 0.577 30.471 29.700 0.323 0.000 1.009 127 E HN 0.459 nan 8.360 nan 0.000 0.416 128 D N 0.873 121.347 120.400 0.123 0.000 2.455 128 D HA 0.133 4.766 4.640 -0.013 0.000 0.241 128 D C -0.264 176.069 176.300 0.056 0.000 1.138 128 D CA 0.220 54.269 54.000 0.081 0.000 0.877 128 D CB 0.522 41.363 40.800 0.068 0.000 1.187 128 D HN 0.392 nan 8.370 nan 0.000 0.451 129 A N 2.404 125.208 122.820 -0.026 0.000 2.539 129 A HA 0.471 4.784 4.320 -0.013 0.000 0.306 129 A C 1.031 178.443 177.584 -0.286 0.000 1.392 129 A CA -0.350 51.451 52.037 -0.393 0.000 1.060 129 A CB -0.217 18.636 19.000 -0.245 0.000 1.134 129 A HN 0.529 nan 8.150 nan 0.000 0.542 130 G N 2.252 110.801 108.800 -0.418 0.000 3.943 130 G HA2 0.423 4.376 3.960 -0.013 0.000 0.275 130 G HA3 0.423 4.376 3.960 -0.013 0.000 0.275 130 G C 0.274 174.858 174.900 -0.527 0.000 1.234 130 G CA -0.305 44.594 45.100 -0.334 0.000 1.522 130 G HN 0.691 nan 8.290 nan 0.000 0.636 131 L N 1.377 122.378 121.223 -0.371 0.000 2.939 131 L HA 0.398 4.730 4.340 -0.013 0.000 0.239 131 L C 1.012 177.800 176.870 -0.137 0.000 1.325 131 L CA -0.193 54.556 54.840 -0.152 0.000 1.170 131 L CB -0.355 41.753 42.059 0.082 0.000 1.538 131 L HN 0.337 nan 8.230 nan 0.000 0.452 132 G N -1.232 107.267 108.800 -0.502 0.000 2.608 132 G HA2 0.177 4.129 3.960 -0.013 0.000 0.291 132 G HA3 0.177 4.129 3.960 -0.013 0.000 0.291 132 G C -0.185 174.357 174.900 -0.597 0.000 1.425 132 G CA -0.453 44.404 45.100 -0.406 0.000 0.787 132 G HN -0.085 nan 8.290 nan 0.000 0.484 133 N N -0.875 117.692 118.700 -0.222 0.000 2.439 133 N HA 0.227 4.959 4.740 -0.013 0.000 0.176 133 N C 1.143 176.709 175.510 0.093 0.000 1.029 133 N CA 1.325 54.317 53.050 -0.096 0.000 0.886 133 N CB 1.269 39.771 38.487 0.026 0.000 1.057 133 N HN 0.849 nan 8.380 nan 0.000 0.437 134 G N -0.696 108.222 108.800 0.196 0.000 2.825 134 G HA2 0.194 4.147 3.960 -0.013 0.000 0.100 134 G HA3 0.194 4.147 3.960 -0.013 0.000 0.100 134 G C 0.720 175.724 174.900 0.174 0.000 1.195 134 G CA 0.249 45.499 45.100 0.250 0.000 1.317 134 G HN 0.162 nan 8.290 nan 0.000 0.632 135 G N 0.425 109.279 108.800 0.089 0.000 2.446 135 G HA2 -0.068 3.884 3.960 -0.013 0.000 0.217 135 G HA3 -0.068 3.884 3.960 -0.013 0.000 0.217 135 G C 1.890 176.765 174.900 -0.042 0.000 1.168 135 G CA 1.507 46.617 45.100 0.016 0.000 0.771 135 G HN 0.818 nan 8.290 nan 0.000 0.551 136 L N 0.619 121.792 121.223 -0.083 0.000 2.046 136 L HA 0.096 4.428 4.340 -0.013 0.000 0.208 136 L C 2.802 179.584 176.870 -0.147 0.000 1.077 136 L CA 1.966 56.661 54.840 -0.242 0.000 0.747 136 L CB -0.563 41.305 42.059 -0.317 0.000 0.896 136 L HN 0.233 nan 8.230 nan 0.000 0.432 137 G N -0.580 108.206 108.800 -0.023 0.000 2.402 137 G HA2 -0.271 3.681 3.960 -0.013 0.000 0.216 137 G HA3 -0.271 3.681 3.960 -0.013 0.000 0.216 137 G C 1.688 176.644 174.900 0.094 0.000 1.162 137 G CA 0.453 45.573 45.100 0.033 0.000 0.777 137 G HN 0.219 nan 8.290 nan 0.000 0.539 138 R N 0.239 120.807 120.500 0.114 0.000 2.115 138 R HA 0.111 4.444 4.340 -0.013 0.000 0.226 138 R C 2.413 178.704 176.300 -0.014 0.000 1.100 138 R CA 0.746 56.889 56.100 0.071 0.000 0.980 138 R CB -1.091 29.213 30.300 0.007 0.000 0.875 138 R HN 0.373 nan 8.270 nan 0.000 0.445 139 L N 0.665 121.809 121.223 -0.132 0.000 2.012 139 L HA -0.075 4.258 4.340 -0.013 0.000 0.210 139 L C 2.203 178.775 176.870 -0.497 0.000 1.073 139 L CA 2.258 56.877 54.840 -0.368 0.000 0.748 139 L CB -0.881 40.915 42.059 -0.439 0.000 0.891 139 L HN 0.212 nan 8.230 nan 0.000 0.431 140 A N -0.539 122.119 122.820 -0.270 0.000 1.917 140 A HA -0.241 4.072 4.320 -0.013 0.000 0.219 140 A C 2.440 180.073 177.584 0.082 0.000 1.182 140 A CA 2.258 54.215 52.037 -0.133 0.000 0.633 140 A CB -1.256 17.606 19.000 -0.230 0.000 0.819 140 A HN 0.600 nan 8.150 nan 0.000 0.448 141 A N -1.200 121.702 122.820 0.138 0.000 1.873 141 A HA -0.134 4.179 4.320 -0.013 0.000 0.215 141 A C 2.330 179.988 177.584 0.122 0.000 1.186 141 A CA 1.607 53.753 52.037 0.181 0.000 0.616 141 A CB -1.277 17.818 19.000 0.158 0.000 0.823 141 A HN 0.617 nan 8.150 nan 0.000 0.442 142 C N -1.379 117.992 119.300 0.119 0.000 2.429 142 C HA -0.087 4.365 4.460 -0.013 0.000 0.277 142 C C 2.431 177.585 174.990 0.274 0.000 1.262 142 C CA 0.693 59.823 59.018 0.186 0.000 1.733 142 C CB -1.653 26.220 27.740 0.222 0.000 2.010 142 C HN 0.603 nan 8.230 nan 0.000 0.483 143 F N 1.203 121.135 119.950 -0.029 0.000 2.126 143 F HA -0.094 4.425 4.527 -0.013 0.000 0.299 143 F C 2.252 177.989 175.800 -0.105 0.000 1.096 143 F CA 1.044 58.973 58.000 -0.118 0.000 1.255 143 F CB -1.395 37.397 39.000 -0.346 0.000 0.997 143 F HN 0.204 nan 8.300 nan 0.000 0.479 144 L N -0.448 120.846 121.223 0.118 0.000 2.046 144 L HA -0.246 4.087 4.340 -0.013 0.000 0.208 144 L C 2.163 179.043 176.870 0.015 0.000 1.077 144 L CA 1.901 56.767 54.840 0.042 0.000 0.747 144 L CB -0.769 41.316 42.059 0.044 0.000 0.896 144 L HN 0.103 nan 8.230 nan 0.000 0.432 145 D N -0.404 120.015 120.400 0.032 0.000 2.104 145 D HA -0.180 4.452 4.640 -0.013 0.000 0.194 145 D C 2.206 178.520 176.300 0.023 0.000 0.994 145 D CA 1.576 55.581 54.000 0.009 0.000 0.830 145 D CB 0.187 40.991 40.800 0.006 0.000 0.959 145 D HN 0.077 nan 8.370 nan 0.000 0.452 146 S N -0.702 115.029 115.700 0.051 0.000 2.382 146 S HA -0.128 4.334 4.470 -0.013 0.000 0.228 146 S C 1.998 176.609 174.600 0.018 0.000 1.027 146 S CA 0.928 59.150 58.200 0.037 0.000 0.991 146 S CB -0.236 62.990 63.200 0.043 0.000 0.823 146 S HN 0.349 nan 8.310 nan 0.000 0.469 147 M N 0.903 120.507 119.600 0.007 0.000 2.175 147 M HA -0.077 4.396 4.480 -0.013 0.000 0.264 147 M C 2.461 178.762 176.300 0.001 0.000 1.063 147 M CA 1.358 56.659 55.300 0.002 0.000 1.119 147 M CB -0.500 32.082 32.600 -0.030 0.000 1.377 147 M HN 0.397 nan 8.290 nan 0.000 0.415 148 A N -0.237 122.580 122.820 -0.006 0.000 1.898 148 A HA -0.116 4.196 4.320 -0.013 0.000 0.216 148 A C 2.169 179.766 177.584 0.021 0.000 1.181 148 A CA 1.998 54.035 52.037 -0.000 0.000 0.620 148 A CB -1.052 17.930 19.000 -0.030 0.000 0.819 148 A HN 0.409 nan 8.150 nan 0.000 0.442 149 T N 0.252 114.824 114.554 0.029 0.000 2.833 149 T HA -0.003 4.340 4.350 -0.013 0.000 0.269 149 T C 1.342 176.070 174.700 0.047 0.000 1.054 149 T CA 1.148 63.279 62.100 0.052 0.000 1.135 149 T CB -0.265 68.641 68.868 0.063 0.000 0.869 149 T HN 0.338 nan 8.240 nan 0.000 0.466 150 L N 0.356 121.603 121.223 0.041 0.000 2.629 150 L HA 0.307 4.639 4.340 -0.013 0.000 0.230 150 L C 1.637 178.539 176.870 0.054 0.000 1.151 150 L CA -0.032 54.834 54.840 0.044 0.000 0.924 150 L CB -0.284 41.800 42.059 0.043 0.000 1.137 150 L HN 0.402 nan 8.230 nan 0.000 0.457 151 G N 0.970 109.806 108.800 0.060 0.000 2.198 151 G HA2 -0.282 3.670 3.960 -0.013 0.000 0.260 151 G HA3 -0.282 3.670 3.960 -0.013 0.000 0.260 151 G C 0.113 175.072 174.900 0.099 0.000 1.025 151 G CA -0.011 45.144 45.100 0.092 0.000 0.769 151 G HN 0.271 nan 8.290 nan 0.000 0.507 152 L N -0.052 121.197 121.223 0.042 0.000 2.350 152 L HA 0.615 4.948 4.340 -0.013 0.000 0.275 152 L C 1.216 177.974 176.870 -0.187 0.000 1.099 152 L CA -0.334 54.483 54.840 -0.039 0.000 0.808 152 L CB 1.561 43.607 42.059 -0.022 0.000 1.149 152 L HN 0.256 nan 8.230 nan 0.000 0.442 153 A N 3.037 125.602 122.820 -0.426 0.000 2.990 153 A HA 0.565 4.877 4.320 -0.013 0.000 0.282 153 A C 0.268 177.471 177.584 -0.635 0.000 1.688 153 A CA -0.154 51.315 52.037 -0.947 0.000 1.391 153 A CB -0.655 17.674 19.000 -1.118 0.000 1.112 153 A HN 0.697 nan 8.150 nan 0.000 0.588 154 A N 1.589 124.080 122.820 -0.548 0.000 2.350 154 A HA 0.797 5.109 4.320 -0.013 0.000 0.324 154 A C -1.074 176.214 177.584 -0.492 0.000 1.118 154 A CA -0.461 51.332 52.037 -0.407 0.000 0.783 154 A CB 0.820 19.667 19.000 -0.255 0.000 1.236 154 A HN 0.618 nan 8.150 nan 0.000 0.457 155 Y N 0.389 120.618 120.300 -0.118 0.000 2.373 155 Y HA 0.543 5.086 4.550 -0.012 0.000 0.336 155 Y C 0.826 176.819 175.900 0.154 0.000 0.979 155 Y CA -0.526 57.585 58.100 0.018 0.000 1.080 155 Y CB 2.451 41.020 38.460 0.182 0.000 1.190 155 Y HN 0.844 nan 8.280 nan 0.000 0.446 156 G N 2.078 110.964 108.800 0.144 0.000 2.338 156 G HA2 0.469 4.421 3.960 -0.013 0.000 0.298 156 G HA3 0.469 4.421 3.960 -0.013 0.000 0.298 156 G C -1.804 173.112 174.900 0.028 0.000 1.140 156 G CA -0.282 44.941 45.100 0.205 0.000 0.860 156 G HN 0.531 nan 8.290 nan 0.000 0.470 157 Y N 0.831 121.355 120.300 0.374 0.000 2.361 157 Y HA 0.621 5.163 4.550 -0.013 0.000 0.337 157 Y C 0.725 176.931 175.900 0.510 0.000 0.965 157 Y CA 0.167 58.457 58.100 0.317 0.000 1.091 157 Y CB 2.685 41.360 38.460 0.359 0.000 1.182 157 Y HN 0.891 nan 8.280 nan 0.000 0.450 158 G N 2.357 111.478 108.800 0.536 0.000 2.753 158 G HA2 0.602 4.555 3.960 -0.013 0.000 0.303 158 G HA3 0.602 4.555 3.960 -0.013 0.000 0.303 158 G C -1.741 173.402 174.900 0.404 0.000 1.242 158 G CA -0.808 44.640 45.100 0.579 0.000 0.810 158 G HN 0.426 nan 8.290 nan 0.000 0.515 159 I N 0.551 121.253 120.570 0.221 0.000 2.474 159 I HA 0.433 4.595 4.170 -0.013 0.000 0.294 159 I C 0.256 176.287 176.117 -0.143 0.000 1.005 159 I CA -0.733 60.580 61.300 0.022 0.000 1.113 159 I CB 2.256 40.073 38.000 -0.305 0.000 1.289 159 I HN 0.351 nan 8.210 nan 0.000 0.436 160 R N 6.068 126.578 120.500 0.017 0.000 2.608 160 R HA 0.224 4.556 4.340 -0.013 0.000 0.277 160 R C -1.260 175.086 176.300 0.076 0.000 1.341 160 R CA -0.432 55.707 56.100 0.065 0.000 1.199 160 R CB -0.052 30.260 30.300 0.020 0.000 1.156 160 R HN 0.397 nan 8.270 nan 0.000 0.558 161 Y N 1.581 122.044 120.300 0.271 0.000 2.526 161 Y HA -0.087 4.456 4.550 -0.013 0.000 0.330 161 Y C 1.590 177.674 175.900 0.308 0.000 1.156 161 Y CA 0.105 58.356 58.100 0.252 0.000 1.419 161 Y CB 0.783 39.369 38.460 0.210 0.000 1.250 161 Y HN 0.596 nan 8.280 nan 0.000 0.540 162 E N 2.211 122.596 120.200 0.308 0.000 2.150 162 E HA -0.085 4.257 4.350 -0.013 0.000 0.193 162 E C -0.727 175.758 176.600 -0.191 0.000 0.985 162 E CA 0.770 57.157 56.400 -0.021 0.000 0.814 162 E CB 0.159 29.773 29.700 -0.144 0.000 0.752 162 E HN 0.502 nan 8.360 nan 0.000 0.466 163 F N -0.295 119.871 119.950 0.360 0.000 2.477 163 F HA 0.447 4.967 4.527 -0.013 0.000 0.335 163 F C 0.781 176.674 175.800 0.154 0.000 1.130 163 F CA -0.810 57.359 58.000 0.282 0.000 0.948 163 F CB 1.871 40.965 39.000 0.157 0.000 1.154 163 F HN -0.098 nan 8.300 nan 0.000 0.439 164 G N 1.848 110.755 108.800 0.177 0.000 2.531 164 G HA2 0.342 4.294 3.960 -0.013 0.000 0.253 164 G HA3 0.342 4.294 3.960 -0.013 0.000 0.253 164 G C -0.532 174.313 174.900 -0.091 0.000 1.439 164 G CA -0.670 44.367 45.100 -0.104 0.000 1.056 164 G HN 0.538 nan 8.290 nan 0.000 0.555 165 I N 0.995 121.421 120.570 -0.241 0.000 2.752 165 I HA 0.195 4.358 4.170 -0.013 0.000 0.289 165 I C 0.551 176.554 176.117 -0.190 0.000 1.197 165 I CA -1.163 59.969 61.300 -0.280 0.000 1.432 165 I CB -0.388 37.337 38.000 -0.458 0.000 1.359 165 I HN 0.324 nan 8.210 nan 0.000 0.571 166 F N 6.204 126.159 119.950 0.008 0.000 2.628 166 F HA 0.211 4.731 4.527 -0.012 0.000 0.362 166 F C 0.588 176.434 175.800 0.078 0.000 1.148 166 F CA -0.561 57.469 58.000 0.049 0.000 1.352 166 F CB -0.402 38.615 39.000 0.029 0.000 1.081 166 F HN 0.427 nan 8.300 nan 0.000 0.605 167 N N 2.397 121.262 118.700 0.275 0.000 2.497 167 N HA 0.026 4.759 4.740 -0.013 0.000 0.271 167 N C -0.711 175.027 175.510 0.380 0.000 1.142 167 N CA -0.216 52.975 53.050 0.235 0.000 0.965 167 N CB 1.078 39.691 38.487 0.210 0.000 1.077 167 N HN 0.756 nan 8.380 nan 0.000 0.462 168 Q N 2.490 122.486 119.800 0.327 0.000 2.303 168 Q HA 0.163 4.495 4.340 -0.013 0.000 0.257 168 Q C -0.925 175.239 176.000 0.273 0.000 0.941 168 Q CA -0.426 55.604 55.803 0.378 0.000 0.931 168 Q CB 0.694 29.659 28.738 0.379 0.000 1.215 168 Q HN 0.244 nan 8.270 nan 0.000 0.437 169 K N 4.161 124.698 120.400 0.229 0.000 2.207 169 K HA 0.466 4.779 4.320 -0.013 0.000 0.255 169 K C -0.577 176.116 176.600 0.156 0.000 0.941 169 K CA -0.897 55.501 56.287 0.184 0.000 0.825 169 K CB 1.532 34.120 32.500 0.147 0.000 1.119 169 K HN 0.620 nan 8.250 nan 0.000 0.430 170 I N 1.921 122.574 120.570 0.138 0.000 2.330 170 I HA 0.161 4.323 4.170 -0.013 0.000 0.289 170 I C -0.140 176.027 176.117 0.083 0.000 1.001 170 I CA -0.718 60.631 61.300 0.081 0.000 1.193 170 I CB 0.973 38.996 38.000 0.039 0.000 1.345 170 I HN 0.495 nan 8.210 nan 0.000 0.461 171 C N 5.261 124.622 119.300 0.101 0.000 2.344 171 C HA 0.635 5.087 4.460 -0.013 0.000 0.326 171 C C 1.125 176.211 174.990 0.160 0.000 1.201 171 C CA 0.256 59.340 59.018 0.111 0.000 1.410 171 C CB -0.192 27.610 27.740 0.103 0.000 2.070 171 C HN 1.107 nan 8.230 nan 0.000 0.445 172 G N 4.081 112.945 108.800 0.106 0.000 2.249 172 G HA2 0.092 4.045 3.960 -0.013 0.000 0.273 172 G HA3 0.092 4.045 3.960 -0.013 0.000 0.273 172 G C 1.209 176.099 174.900 -0.016 0.000 1.036 172 G CA 1.140 46.306 45.100 0.109 0.000 0.824 172 G HN 2.593 nan 8.290 nan 0.000 0.504 173 G N -2.836 105.901 108.800 -0.105 0.000 2.179 173 G HA2 -0.296 3.656 3.960 -0.013 0.000 0.260 173 G HA3 -0.296 3.656 3.960 -0.013 0.000 0.260 173 G C 0.367 175.006 174.900 -0.435 0.000 0.977 173 G CA 0.640 45.552 45.100 -0.312 0.000 0.641 173 G HN 1.210 nan 8.290 nan 0.000 0.533 174 W N 0.970 122.211 121.300 -0.098 0.000 2.496 174 W HA 0.647 5.300 4.660 -0.012 0.000 0.327 174 W C 0.666 177.126 176.519 -0.099 0.000 1.086 174 W CA -0.920 56.361 57.345 -0.106 0.000 1.222 174 W CB 0.871 30.288 29.460 -0.073 0.000 1.304 174 W HN 0.258 nan 8.180 nan 0.000 0.547 175 Q N 3.526 123.414 119.800 0.147 0.000 2.289 175 Q HA 0.151 4.484 4.340 -0.013 0.000 0.273 175 Q C -0.485 175.569 176.000 0.090 0.000 1.029 175 Q CA 0.296 56.157 55.803 0.098 0.000 0.896 175 Q CB 0.490 29.277 28.738 0.082 0.000 1.182 175 Q HN 0.326 nan 8.270 nan 0.000 0.385 176 M N 3.178 122.826 119.600 0.081 0.000 2.528 176 M HA 0.392 4.864 4.480 -0.013 0.000 0.321 176 M C -1.009 175.303 176.300 0.020 0.000 1.153 176 M CA -0.683 54.633 55.300 0.027 0.000 0.951 176 M CB 1.791 34.417 32.600 0.045 0.000 1.705 176 M HN 0.596 nan 8.290 nan 0.000 0.451 177 E N 1.591 121.737 120.200 -0.090 0.000 2.166 177 E HA 0.437 4.780 4.350 -0.013 0.000 0.275 177 E C -0.789 175.811 176.600 -0.000 0.000 0.941 177 E CA -0.573 55.750 56.400 -0.129 0.000 0.784 177 E CB 1.630 30.986 29.700 -0.573 0.000 1.115 177 E HN 0.511 nan 8.360 nan 0.000 0.399 178 E N 1.033 121.312 120.200 0.132 0.000 2.288 178 E HA 0.734 5.077 4.350 -0.013 0.000 0.268 178 E C -0.965 175.733 176.600 0.164 0.000 0.885 178 E CA -1.548 54.918 56.400 0.109 0.000 0.767 178 E CB 1.470 31.235 29.700 0.108 0.000 1.220 178 E HN 0.444 nan 8.360 nan 0.000 0.427 179 A N 1.982 124.861 122.820 0.097 0.000 2.546 179 A HA 0.032 4.345 4.320 -0.013 0.000 0.243 179 A C -0.104 177.663 177.584 0.306 0.000 1.063 179 A CA 0.287 52.402 52.037 0.130 0.000 0.757 179 A CB -0.098 18.860 19.000 -0.071 0.000 0.991 179 A HN 0.710 nan 8.150 nan 0.000 0.503 180 D N 1.724 122.372 120.400 0.413 0.000 2.494 180 D HA 0.205 4.838 4.640 -0.013 0.000 0.217 180 D C -0.438 176.167 176.300 0.508 0.000 1.153 180 D CA -0.224 54.007 54.000 0.385 0.000 0.954 180 D CB 0.351 41.306 40.800 0.259 0.000 1.034 180 D HN 0.377 nan 8.370 nan 0.000 0.518 181 D N 3.734 124.389 120.400 0.424 0.000 2.801 181 D HA -0.021 4.611 4.640 -0.013 0.000 0.232 181 D C 1.101 177.485 176.300 0.139 0.000 1.128 181 D CA -0.568 53.561 54.000 0.215 0.000 1.003 181 D CB -0.179 40.768 40.800 0.245 0.000 1.110 181 D HN 0.560 nan 8.370 nan 0.000 0.477 182 W N 1.803 123.099 121.300 -0.007 0.000 2.525 182 W HA -0.025 4.628 4.660 -0.012 0.000 0.259 182 W C 0.086 176.636 176.519 0.053 0.000 1.253 182 W CA 0.080 57.458 57.345 0.055 0.000 1.262 182 W CB -0.710 28.793 29.460 0.071 0.000 1.122 182 W HN 0.177 nan 8.180 nan 0.000 0.607 183 L N 0.972 121.793 121.223 -0.671 0.000 2.607 183 L HA 0.193 4.525 4.340 -0.013 0.000 0.228 183 L C 2.744 179.421 176.870 -0.322 0.000 1.123 183 L CA -0.034 54.399 54.840 -0.678 0.000 0.890 183 L CB -0.633 40.911 42.059 -0.859 0.000 1.103 183 L HN -0.114 nan 8.230 nan 0.000 0.468 184 R N 0.561 120.912 120.500 -0.248 0.000 2.113 184 R HA -0.232 4.101 4.340 -0.013 0.000 0.244 184 R C 1.353 177.448 176.300 -0.342 0.000 1.142 184 R CA 2.111 58.018 56.100 -0.322 0.000 0.953 184 R CB -0.166 29.873 30.300 -0.435 0.000 0.860 184 R HN 0.315 nan 8.270 nan 0.000 0.438 185 Y N -0.586 119.724 120.300 0.016 0.000 2.457 185 Y HA 0.337 4.879 4.550 -0.012 0.000 0.263 185 Y C 0.796 176.684 175.900 -0.020 0.000 1.164 185 Y CA 0.414 58.540 58.100 0.043 0.000 1.274 185 Y CB 0.782 39.383 38.460 0.234 0.000 1.097 185 Y HN 0.389 nan 8.280 nan 0.000 0.523 186 G N 1.385 110.219 108.800 0.058 0.000 2.692 186 G HA2 -0.224 3.728 3.960 -0.013 0.000 0.686 186 G HA3 -0.224 3.728 3.960 -0.013 0.000 0.686 186 G C -1.220 173.747 174.900 0.112 0.000 1.243 186 G CA -0.852 44.246 45.100 -0.003 0.000 0.782 186 G HN 0.272 nan 8.290 nan 0.000 0.625 187 N N 1.588 120.297 118.700 0.015 0.000 2.518 187 N HA 0.609 5.342 4.740 -0.013 0.000 0.254 187 N C -0.602 174.910 175.510 0.005 0.000 0.979 187 N CA -2.111 50.970 53.050 0.052 0.000 0.930 187 N CB 1.990 40.433 38.487 -0.073 0.000 1.152 187 N HN 0.237 nan 8.380 nan 0.000 0.505 188 P HA 0.040 nan 4.420 nan 0.000 0.233 188 P C 0.263 177.220 177.300 -0.573 0.000 1.167 188 P CA 0.689 63.487 63.100 -0.503 0.000 0.770 188 P CB 0.011 31.204 31.700 -0.845 0.000 0.837 189 W N 1.772 123.093 121.300 0.036 0.000 3.353 189 W HA 0.152 4.804 4.660 -0.012 0.000 0.304 189 W C 0.789 177.346 176.519 0.063 0.000 1.273 189 W CA -0.580 56.777 57.345 0.020 0.000 1.773 189 W CB 0.115 29.597 29.460 0.037 0.000 1.095 189 W HN 0.056 nan 8.180 nan 0.000 0.676 190 E N 0.805 121.151 120.200 0.243 0.000 2.277 190 E HA 0.536 4.878 4.350 -0.013 0.000 0.266 190 E C -0.993 175.757 176.600 0.250 0.000 0.901 190 E CA -1.233 55.333 56.400 0.277 0.000 0.782 190 E CB 1.908 31.789 29.700 0.303 0.000 1.228 190 E HN -0.303 nan 8.360 nan 0.000 0.424 191 K N 1.661 122.223 120.400 0.271 0.000 2.450 191 K HA 0.468 4.780 4.320 -0.013 0.000 0.257 191 K C -1.073 175.541 176.600 0.023 0.000 0.953 191 K CA -0.477 55.901 56.287 0.152 0.000 0.844 191 K CB 1.557 34.141 32.500 0.140 0.000 1.103 191 K HN 0.688 nan 8.250 nan 0.000 0.429 192 A N 4.241 126.988 122.820 -0.122 0.000 2.540 192 A HA 0.282 4.595 4.320 -0.013 0.000 0.239 192 A C -0.212 177.202 177.584 -0.283 0.000 1.061 192 A CA 0.010 51.725 52.037 -0.537 0.000 0.758 192 A CB 0.173 18.865 19.000 -0.515 0.000 0.991 192 A HN 0.665 nan 8.150 nan 0.000 0.502 193 R N 3.172 123.505 120.500 -0.278 0.000 2.835 193 R HA 0.205 4.538 4.340 -0.013 0.000 0.290 193 R C -2.297 173.992 176.300 -0.018 0.000 1.410 193 R CA -1.741 54.331 56.100 -0.046 0.000 1.590 193 R CB 0.645 31.014 30.300 0.115 0.000 1.288 193 R HN 0.600 nan 8.270 nan 0.000 0.637 194 P HA -0.166 nan 4.420 nan 0.000 0.225 194 P C 0.833 178.096 177.300 -0.061 0.000 1.148 194 P CA 1.024 64.092 63.100 -0.053 0.000 0.779 194 P CB 0.396 32.058 31.700 -0.064 0.000 0.780 195 E N -0.142 119.960 120.200 -0.163 0.000 2.338 195 E HA -0.137 4.205 4.350 -0.013 0.000 0.197 195 E C 0.705 177.044 176.600 -0.434 0.000 1.007 195 E CA 0.871 57.067 56.400 -0.341 0.000 0.849 195 E CB -0.935 28.449 29.700 -0.526 0.000 0.774 195 E HN 0.305 nan 8.360 nan 0.000 0.506 196 F N 1.894 121.858 119.950 0.023 0.000 2.684 196 F HA 0.238 4.758 4.527 -0.012 0.000 0.298 196 F C 0.467 176.367 175.800 0.167 0.000 1.120 196 F CA -0.338 57.711 58.000 0.081 0.000 1.332 196 F CB 0.263 39.305 39.000 0.070 0.000 0.986 196 F HN -0.297 nan 8.300 nan 0.000 0.524 197 T N 2.965 117.655 114.554 0.226 0.000 2.928 197 T HA 0.245 4.587 4.350 -0.013 0.000 0.305 197 T C -0.245 174.553 174.700 0.163 0.000 1.035 197 T CA 0.391 62.623 62.100 0.221 0.000 1.145 197 T CB 0.586 69.532 68.868 0.130 0.000 0.963 197 T HN -0.154 nan 8.240 nan 0.000 0.545 198 L N 5.839 127.133 121.223 0.118 0.000 2.370 198 L HA 0.556 4.888 4.340 -0.013 0.000 0.266 198 L C -2.246 174.583 176.870 -0.067 0.000 1.002 198 L CA -2.642 52.196 54.840 -0.003 0.000 0.818 198 L CB 1.992 43.979 42.059 -0.120 0.000 1.325 198 L HN 0.378 nan 8.230 nan 0.000 0.418 199 P HA 0.347 nan 4.420 nan 0.000 0.285 199 P C -1.112 176.069 177.300 -0.198 0.000 1.259 199 P CA -0.335 62.690 63.100 -0.126 0.000 0.794 199 P CB 1.619 33.244 31.700 -0.124 0.000 0.940 200 V N 4.135 123.913 119.914 -0.226 0.000 2.604 200 V HA 0.330 4.443 4.120 -0.013 0.000 0.305 200 V C 0.195 176.075 176.094 -0.356 0.000 1.043 200 V CA -0.608 61.539 62.300 -0.254 0.000 0.888 200 V CB 1.441 33.140 31.823 -0.208 0.000 0.995 200 V HN 0.599 nan 8.190 nan 0.000 0.429 201 H N 3.793 122.688 119.070 -0.292 0.000 2.472 201 H HA 0.620 5.169 4.556 -0.013 0.000 0.338 201 H C -1.291 173.757 175.328 -0.467 0.000 1.133 201 H CA -0.131 55.680 56.048 -0.395 0.000 1.216 201 H CB 1.932 31.231 29.762 -0.772 0.000 1.497 201 H HN 0.481 nan 8.280 nan 0.000 0.500 202 F N 0.329 120.355 119.950 0.126 0.000 2.613 202 F HA 0.213 4.733 4.527 -0.013 0.000 0.314 202 F C -0.245 175.690 175.800 0.225 0.000 1.075 202 F CA -0.557 57.522 58.000 0.132 0.000 0.945 202 F CB 1.050 40.013 39.000 -0.062 0.000 1.310 202 F HN 0.551 nan 8.300 nan 0.000 0.467 203 Y N 0.118 120.732 120.300 0.523 0.000 2.904 203 Y HA -0.001 4.542 4.550 -0.012 0.000 0.466 203 Y C 1.337 177.500 175.900 0.438 0.000 1.202 203 Y CA 0.667 58.987 58.100 0.367 0.000 2.492 203 Y CB -1.904 36.700 38.460 0.241 0.000 1.237 203 Y HN 1.298 nan 8.280 nan 0.000 0.633 204 G N 0.647 109.731 108.800 0.473 0.000 2.598 204 G HA2 0.099 4.052 3.960 -0.013 0.000 0.244 204 G HA3 0.099 4.052 3.960 -0.013 0.000 0.244 204 G C -0.551 174.568 174.900 0.366 0.000 1.302 204 G CA 0.945 46.247 45.100 0.338 0.000 0.903 204 G HN 1.373 nan 8.290 nan 0.000 0.575 205 R N -2.600 118.111 120.500 0.351 0.000 2.752 205 R HA 0.707 5.040 4.340 -0.013 0.000 0.271 205 R C -1.412 175.025 176.300 0.228 0.000 1.026 205 R CA -0.986 55.258 56.100 0.240 0.000 0.901 205 R CB 1.320 31.707 30.300 0.146 0.000 1.243 205 R HN 0.896 nan 8.270 nan 0.000 0.463 206 V N 1.057 121.018 119.914 0.078 0.000 2.398 206 V HA 0.344 4.456 4.120 -0.013 0.000 0.286 206 V C -0.221 175.805 176.094 -0.114 0.000 1.026 206 V CA -0.575 61.696 62.300 -0.049 0.000 0.868 206 V CB 1.351 33.067 31.823 -0.178 0.000 0.982 206 V HN 0.675 nan 8.190 nan 0.000 0.443 207 E N 3.255 123.374 120.200 -0.135 0.000 2.166 207 E HA 0.412 4.754 4.350 -0.013 0.000 0.275 207 E C -0.949 175.506 176.600 -0.241 0.000 0.941 207 E CA -0.695 55.637 56.400 -0.115 0.000 0.784 207 E CB 1.133 30.819 29.700 -0.022 0.000 1.115 207 E HN 0.669 nan 8.360 nan 0.000 0.399 208 H N 2.426 121.511 119.070 0.025 0.000 2.597 208 H HA 0.160 4.708 4.556 -0.013 0.000 0.303 208 H C 0.306 175.643 175.328 0.015 0.000 1.057 208 H CA -0.273 55.785 56.048 0.016 0.000 1.261 208 H CB 0.881 30.648 29.762 0.008 0.000 1.397 208 H HN 0.559 nan 8.280 nan 0.000 0.461 209 T N -0.567 114.043 114.554 0.093 0.000 2.893 209 T HA 0.162 4.505 4.350 -0.013 0.000 0.279 209 T C 1.507 176.244 174.700 0.062 0.000 0.991 209 T CA -0.754 61.383 62.100 0.063 0.000 0.950 209 T CB 0.988 69.878 68.868 0.036 0.000 1.223 209 T HN 0.333 nan 8.240 nan 0.000 0.585 210 S N -0.241 115.484 115.700 0.042 0.000 2.423 210 S HA -0.062 4.401 4.470 -0.013 0.000 0.231 210 S C 1.496 176.117 174.600 0.034 0.000 1.014 210 S CA 0.908 59.129 58.200 0.034 0.000 0.965 210 S CB -0.397 62.818 63.200 0.025 0.000 0.785 210 S HN 0.725 nan 8.310 nan 0.000 0.495 211 Q N 0.743 120.563 119.800 0.033 0.000 2.296 211 Q HA 0.442 4.774 4.340 -0.013 0.000 0.273 211 Q C 0.555 176.576 176.000 0.035 0.000 0.900 211 Q CA 0.151 55.972 55.803 0.030 0.000 0.993 211 Q CB -0.322 28.430 28.738 0.023 0.000 1.132 211 Q HN 0.450 nan 8.270 nan 0.000 0.439 212 G N -0.239 108.592 108.800 0.051 0.000 2.725 212 G HA2 -0.082 3.871 3.960 -0.013 0.000 0.220 212 G HA3 -0.082 3.871 3.960 -0.013 0.000 0.220 212 G C -0.464 174.472 174.900 0.060 0.000 1.357 212 G CA -0.668 44.471 45.100 0.066 0.000 0.866 212 G HN 0.630 nan 8.290 nan 0.000 0.548 213 A N -0.013 122.837 122.820 0.050 0.000 2.351 213 A HA 0.692 5.005 4.320 -0.013 0.000 0.257 213 A C 0.483 178.031 177.584 -0.060 0.000 1.087 213 A CA 0.468 52.464 52.037 -0.068 0.000 0.798 213 A CB 0.574 19.509 19.000 -0.108 0.000 1.033 213 A HN 0.760 nan 8.150 nan 0.000 0.488 214 K N 0.621 120.970 120.400 -0.084 0.000 2.468 214 K HA 0.205 4.517 4.320 -0.013 0.000 0.252 214 K C -1.909 174.728 176.600 0.061 0.000 0.932 214 K CA -0.341 55.942 56.287 -0.008 0.000 0.794 214 K CB 2.237 34.732 32.500 -0.007 0.000 1.241 214 K HN 0.751 nan 8.250 nan 0.000 0.428 215 W N 5.081 126.302 121.300 -0.131 0.000 2.291 215 W HA 0.385 5.037 4.660 -0.013 0.000 0.312 215 W C -0.699 175.763 176.519 -0.094 0.000 1.061 215 W CA -0.819 56.455 57.345 -0.118 0.000 1.296 215 W CB 0.233 29.610 29.460 -0.139 0.000 1.223 215 W HN 0.305 nan 8.180 nan 0.000 0.421 216 V N 2.854 122.822 119.914 0.089 0.000 3.141 216 V HA 0.623 4.735 4.120 -0.013 0.000 0.312 216 V C -0.319 175.760 176.094 -0.026 0.000 1.157 216 V CA -0.988 61.291 62.300 -0.036 0.000 1.041 216 V CB 2.034 33.864 31.823 0.011 0.000 1.071 216 V HN 0.474 nan 8.190 nan 0.000 0.441 217 D N 0.292 120.675 120.400 -0.028 0.000 2.800 217 D HA -0.133 4.499 4.640 -0.013 0.000 0.232 217 D C 0.505 176.818 176.300 0.022 0.000 1.137 217 D CA 1.532 55.538 54.000 0.011 0.000 0.718 217 D CB -1.654 39.174 40.800 0.045 0.000 1.084 217 D HN 1.338 nan 8.370 nan 0.000 0.432 218 T N -2.824 111.702 114.554 -0.047 0.000 2.899 218 T HA 0.497 4.840 4.350 -0.013 0.000 0.284 218 T C 0.478 175.236 174.700 0.098 0.000 1.004 218 T CA -0.776 61.313 62.100 -0.019 0.000 1.043 218 T CB 1.901 70.614 68.868 -0.259 0.000 1.013 218 T HN 0.052 nan 8.240 nan 0.000 0.518 219 Q N 0.569 120.497 119.800 0.213 0.000 2.235 219 Q HA 0.574 4.907 4.340 -0.013 0.000 0.250 219 Q C -0.930 175.191 176.000 0.201 0.000 0.909 219 Q CA -0.876 55.072 55.803 0.242 0.000 0.910 219 Q CB 1.784 30.747 28.738 0.376 0.000 1.223 219 Q HN 0.518 nan 8.270 nan 0.000 0.432 220 V N 2.916 122.908 119.914 0.131 0.000 2.459 220 V HA 0.427 4.539 4.120 -0.013 0.000 0.295 220 V C -0.353 175.826 176.094 0.143 0.000 1.029 220 V CA -0.692 61.597 62.300 -0.018 0.000 0.874 220 V CB 1.700 33.444 31.823 -0.131 0.000 0.985 220 V HN 0.490 nan 8.190 nan 0.000 0.438 221 V N 5.756 125.770 119.914 0.167 0.000 2.555 221 V HA 0.495 4.608 4.120 -0.013 0.000 0.302 221 V C -0.124 176.072 176.094 0.169 0.000 1.038 221 V CA -0.674 61.744 62.300 0.197 0.000 0.887 221 V CB 1.965 33.978 31.823 0.317 0.000 0.991 221 V HN 0.641 nan 8.190 nan 0.000 0.434 222 L N 3.377 124.691 121.223 0.151 0.000 2.375 222 L HA 0.722 5.055 4.340 -0.013 0.000 0.271 222 L C 0.444 177.491 176.870 0.295 0.000 1.107 222 L CA -0.307 54.624 54.840 0.151 0.000 0.806 222 L CB 1.288 43.416 42.059 0.113 0.000 1.146 222 L HN 0.766 nan 8.230 nan 0.000 0.447 223 A N 5.031 127.968 122.820 0.196 0.000 2.267 223 A HA 0.569 4.882 4.320 -0.013 0.000 0.315 223 A C -0.501 177.352 177.584 0.448 0.000 1.297 223 A CA -0.464 51.720 52.037 0.245 0.000 0.865 223 A CB 0.902 19.592 19.000 -0.516 0.000 1.165 223 A HN 0.776 nan 8.150 nan 0.000 0.513 224 M N 5.749 125.669 119.600 0.534 0.000 2.180 224 M HA 0.450 4.922 4.480 -0.013 0.000 0.350 224 M C -2.588 173.976 176.300 0.440 0.000 1.125 224 M CA -2.141 53.415 55.300 0.426 0.000 1.031 224 M CB 2.014 34.782 32.600 0.282 0.000 1.623 224 M HN 0.349 nan 8.290 nan 0.000 0.451 225 P HA 0.277 nan 4.420 nan 0.000 0.286 225 P C -1.930 175.273 177.300 -0.162 0.000 1.261 225 P CA -0.067 62.908 63.100 -0.208 0.000 0.821 225 P CB 0.587 31.933 31.700 -0.589 0.000 1.013 226 Y N 0.381 120.598 120.300 -0.137 0.000 2.350 226 Y HA 0.341 4.883 4.550 -0.013 0.000 0.338 226 Y C 0.247 176.113 175.900 -0.056 0.000 0.961 226 Y CA -0.295 57.782 58.100 -0.037 0.000 1.100 226 Y CB 1.343 39.819 38.460 0.025 0.000 1.179 226 Y HN 0.212 nan 8.280 nan 0.000 0.454 227 D N 1.843 122.325 120.400 0.136 0.000 2.193 227 D HA 0.408 5.041 4.640 -0.013 0.000 0.244 227 D C -0.633 175.883 176.300 0.359 0.000 1.064 227 D CA -0.194 53.925 54.000 0.200 0.000 0.845 227 D CB 1.765 42.684 40.800 0.199 0.000 1.148 227 D HN 0.386 nan 8.370 nan 0.000 0.464 228 T N 3.241 117.928 114.554 0.222 0.000 2.824 228 T HA 0.458 4.801 4.350 -0.013 0.000 0.282 228 T C -2.526 172.045 174.700 -0.214 0.000 0.993 228 T CA -1.464 60.675 62.100 0.066 0.000 0.967 228 T CB 2.071 70.966 68.868 0.045 0.000 0.960 228 T HN 0.167 nan 8.240 nan 0.000 0.441 229 P HA 0.297 nan 4.420 nan 0.000 0.275 229 P C -0.979 176.005 177.300 -0.527 0.000 1.227 229 P CA -0.375 62.078 63.100 -1.078 0.000 0.781 229 P CB 0.804 31.685 31.700 -1.365 0.000 0.906 230 V N 5.196 124.856 119.914 -0.424 0.000 2.305 230 V HA 0.258 4.370 4.120 -0.013 0.000 0.275 230 V C -2.109 173.850 176.094 -0.224 0.000 1.020 230 V CA -1.935 60.206 62.300 -0.265 0.000 0.811 230 V CB 1.293 33.008 31.823 -0.181 0.000 1.031 230 V HN 0.535 nan 8.190 nan 0.000 0.439 231 P HA 0.271 nan 4.420 nan 0.000 0.280 231 P C 0.391 177.637 177.300 -0.090 0.000 1.244 231 P CA 0.301 63.307 63.100 -0.157 0.000 0.784 231 P CB 1.459 33.064 31.700 -0.158 0.000 0.913 232 G N 2.126 110.891 108.800 -0.058 0.000 2.599 232 G HA2 0.133 4.086 3.960 -0.013 0.000 0.264 232 G HA3 0.133 4.086 3.960 -0.013 0.000 0.264 232 G C -1.144 173.765 174.900 0.015 0.000 1.200 232 G CA -0.573 44.523 45.100 -0.007 0.000 0.896 232 G HN 0.507 nan 8.290 nan 0.000 0.536 233 Y N 0.647 120.908 120.300 -0.066 0.000 2.624 233 Y HA 0.257 4.799 4.550 -0.013 0.000 0.354 233 Y C 1.187 177.048 175.900 -0.065 0.000 1.051 233 Y CA -0.200 57.856 58.100 -0.073 0.000 1.377 233 Y CB -0.002 38.414 38.460 -0.073 0.000 1.168 233 Y HN 0.717 nan 8.280 nan 0.000 0.525 234 R N 2.723 122.944 120.500 -0.465 0.000 3.627 234 R HA -0.316 4.016 4.340 -0.013 0.000 0.281 234 R C 0.055 176.222 176.300 -0.223 0.000 1.140 234 R CA 1.441 57.283 56.100 -0.430 0.000 0.761 234 R CB -1.959 27.920 30.300 -0.701 0.000 1.181 234 R HN 0.948 nan 8.270 nan 0.000 0.472 235 N N -1.333 117.286 118.700 -0.135 0.000 2.177 235 N HA 0.063 4.796 4.740 -0.013 0.000 0.218 235 N C -0.162 175.302 175.510 -0.077 0.000 1.182 235 N CA -0.346 52.655 53.050 -0.081 0.000 0.882 235 N CB 0.523 38.988 38.487 -0.036 0.000 1.052 235 N HN 0.092 nan 8.380 nan 0.000 0.519 236 N N -0.176 118.473 118.700 -0.084 0.000 2.778 236 N HA -0.135 4.598 4.740 -0.013 0.000 0.249 236 N C -0.869 174.601 175.510 -0.067 0.000 1.069 236 N CA 0.630 53.637 53.050 -0.071 0.000 0.831 236 N CB -1.322 37.124 38.487 -0.068 0.000 1.142 236 N HN 0.189 nan 8.380 nan 0.000 0.573 237 V N 1.198 121.076 119.914 -0.060 0.000 2.498 237 V HA 0.389 4.501 4.120 -0.013 0.000 0.279 237 V C 0.687 176.751 176.094 -0.051 0.000 1.048 237 V CA -0.414 61.858 62.300 -0.047 0.000 0.967 237 V CB 2.040 33.861 31.823 -0.005 0.000 0.988 237 V HN -0.025 nan 8.190 nan 0.000 0.473 238 V N 5.215 125.106 119.914 -0.039 0.000 2.419 238 V HA 0.430 4.543 4.120 -0.013 0.000 0.287 238 V C -0.115 175.974 176.094 -0.009 0.000 1.017 238 V CA -0.854 61.390 62.300 -0.094 0.000 0.844 238 V CB 1.442 33.171 31.823 -0.157 0.000 1.011 238 V HN 0.842 nan 8.190 nan 0.000 0.429 239 N N 1.961 120.624 118.700 -0.061 0.000 2.448 239 N HA 0.570 5.303 4.740 -0.013 0.000 0.274 239 N C -0.033 175.465 175.510 -0.020 0.000 1.239 239 N CA -0.287 52.752 53.050 -0.018 0.000 0.982 239 N CB 1.254 39.688 38.487 -0.090 0.000 1.199 239 N HN 0.590 nan 8.380 nan 0.000 0.576 240 T N 0.753 115.311 114.554 0.005 0.000 2.829 240 T HA 0.404 4.746 4.350 -0.013 0.000 0.280 240 T C -0.187 174.484 174.700 -0.047 0.000 0.999 240 T CA -0.513 61.663 62.100 0.126 0.000 0.983 240 T CB 1.027 70.085 68.868 0.316 0.000 0.968 240 T HN 0.294 nan 8.240 nan 0.000 0.446 241 M N 3.714 123.252 119.600 -0.104 0.000 2.101 241 M HA 0.497 4.969 4.480 -0.013 0.000 0.340 241 M C -0.517 175.631 176.300 -0.252 0.000 1.057 241 M CA -0.752 54.395 55.300 -0.255 0.000 0.984 241 M CB 0.772 33.165 32.600 -0.346 0.000 1.560 241 M HN 0.489 nan 8.290 nan 0.000 0.435 242 R N 5.906 126.140 120.500 -0.442 0.000 2.265 242 R HA 0.625 4.957 4.340 -0.013 0.000 0.328 242 R C -1.922 174.076 176.300 -0.504 0.000 0.969 242 R CA -0.418 55.365 56.100 -0.528 0.000 0.832 242 R CB 0.869 30.663 30.300 -0.843 0.000 1.139 242 R HN 0.811 nan 8.270 nan 0.000 0.457 243 L N 4.952 125.990 121.223 -0.308 0.000 2.322 243 L HA 0.510 4.842 4.340 -0.013 0.000 0.281 243 L C -0.839 175.985 176.870 -0.076 0.000 1.014 243 L CA -0.914 53.849 54.840 -0.128 0.000 0.815 243 L CB 1.558 43.631 42.059 0.024 0.000 1.247 243 L HN 0.585 nan 8.230 nan 0.000 0.421 244 W N 1.742 123.164 121.300 0.203 0.000 2.365 244 W HA 0.498 5.151 4.660 -0.012 0.000 0.316 244 W C 0.478 177.223 176.519 0.378 0.000 1.164 244 W CA -0.233 57.260 57.345 0.246 0.000 1.204 244 W CB 1.642 31.125 29.460 0.038 0.000 1.213 244 W HN 0.333 nan 8.180 nan 0.000 0.539 245 S N 1.781 117.891 115.700 0.682 0.000 2.503 245 S HA 0.780 5.243 4.470 -0.013 0.000 0.301 245 S C -0.485 174.459 174.600 0.574 0.000 1.087 245 S CA -0.700 57.802 58.200 0.504 0.000 1.042 245 S CB 0.690 64.127 63.200 0.395 0.000 1.043 245 S HN 0.512 nan 8.310 nan 0.000 0.489 246 A N 4.724 127.715 122.820 0.285 0.000 2.328 246 A HA 0.654 4.967 4.320 -0.013 0.000 0.284 246 A C -0.183 177.463 177.584 0.104 0.000 1.160 246 A CA -0.328 51.775 52.037 0.110 0.000 0.818 246 A CB 0.366 19.134 19.000 -0.388 0.000 1.087 246 A HN 0.654 nan 8.150 nan 0.000 0.504 247 K N 1.346 121.823 120.400 0.128 0.000 2.427 247 K HA 0.582 4.894 4.320 -0.013 0.000 0.252 247 K C -0.403 176.191 176.600 -0.012 0.000 0.931 247 K CA -0.430 55.893 56.287 0.059 0.000 0.793 247 K CB 2.211 34.777 32.500 0.109 0.000 1.211 247 K HN 0.847 nan 8.250 nan 0.000 0.426 248 A N 4.490 127.239 122.820 -0.119 0.000 2.425 248 A HA 0.375 4.687 4.320 -0.013 0.000 0.249 248 A C -2.080 175.481 177.584 -0.038 0.000 1.084 248 A CA -0.857 51.045 52.037 -0.225 0.000 0.781 248 A CB -0.396 18.308 19.000 -0.493 0.000 1.019 248 A HN 0.338 nan 8.150 nan 0.000 0.490 249 P HA 0.124 nan 4.420 nan 0.000 0.272 249 P C 0.078 177.456 177.300 0.129 0.000 1.230 249 P CA -0.393 62.765 63.100 0.098 0.000 0.788 249 P CB 0.572 32.346 31.700 0.123 0.000 0.949 250 N N 0.881 119.641 118.700 0.100 0.000 2.381 250 N HA -0.125 4.608 4.740 -0.013 0.000 0.182 250 N C 0.864 176.447 175.510 0.122 0.000 1.025 250 N CA 1.073 54.183 53.050 0.100 0.000 0.888 250 N CB -0.476 38.055 38.487 0.073 0.000 0.965 250 N HN 0.551 nan 8.380 nan 0.000 0.438 251 D N -0.891 119.583 120.400 0.122 0.000 2.325 251 D HA -0.089 4.544 4.640 -0.013 0.000 0.225 251 D C 0.075 176.447 176.300 0.120 0.000 1.096 251 D CA -0.530 53.533 54.000 0.105 0.000 0.844 251 D CB -0.992 39.850 40.800 0.069 0.000 0.925 251 D HN 0.077 nan 8.370 nan 0.000 0.513 252 F N 2.142 122.106 119.950 0.023 0.000 2.590 252 F HA 0.038 4.558 4.527 -0.012 0.000 0.389 252 F C 0.709 176.514 175.800 0.009 0.000 1.049 252 F CA 0.355 58.366 58.000 0.018 0.000 1.199 252 F CB 0.046 39.057 39.000 0.018 0.000 1.058 252 F HN -0.157 nan 8.300 nan 0.000 0.556 253 N N 2.859 121.224 118.700 -0.559 0.000 2.753 253 N HA -0.267 4.466 4.740 -0.013 0.000 0.251 253 N C -0.879 174.555 175.510 -0.126 0.000 1.097 253 N CA 1.385 54.210 53.050 -0.375 0.000 0.786 253 N CB -1.264 37.030 38.487 -0.322 0.000 1.137 253 N HN 0.566 nan 8.380 nan 0.000 0.566 261 G N 0.045 108.882 108.800 0.062 0.000 2.418 261 G HA2 -0.095 3.858 3.960 -0.013 0.000 0.217 261 G HA3 -0.095 3.858 3.960 -0.013 0.000 0.217 261 G C 1.573 176.514 174.900 0.069 0.000 1.158 261 G CA 1.913 47.043 45.100 0.050 0.000 0.771 261 G HN 0.518 nan 8.290 nan 0.000 0.545 262 Y N 1.329 121.634 120.300 0.009 0.000 2.128 262 Y HA -0.152 4.391 4.550 -0.013 0.000 0.284 262 Y C 2.563 178.477 175.900 0.022 0.000 1.154 262 Y CA 1.280 59.388 58.100 0.014 0.000 1.149 262 Y CB -0.152 38.316 38.460 0.013 0.000 0.976 262 Y HN 0.104 nan 8.280 nan 0.000 0.505 263 I N 0.471 120.975 120.570 -0.110 0.000 2.127 263 I HA -0.304 3.859 4.170 -0.013 0.000 0.241 263 I C 2.390 178.407 176.117 -0.165 0.000 1.075 263 I CA 1.471 62.656 61.300 -0.192 0.000 1.334 263 I CB -1.427 36.568 38.000 -0.007 0.000 1.040 263 I HN 0.363 nan 8.210 nan 0.000 0.405 264 Q N 0.607 120.361 119.800 -0.077 0.000 2.112 264 Q HA -0.168 4.165 4.340 -0.013 0.000 0.206 264 Q C 2.383 178.351 176.000 -0.053 0.000 0.987 264 Q CA 2.050 57.825 55.803 -0.047 0.000 0.858 264 Q CB -0.473 28.254 28.738 -0.018 0.000 0.905 264 Q HN 0.562 nan 8.270 nan 0.000 0.420 265 A N -0.097 122.674 122.820 -0.081 0.000 1.933 265 A HA -0.134 4.178 4.320 -0.013 0.000 0.218 265 A C 2.414 179.979 177.584 -0.033 0.000 1.175 265 A CA 1.659 53.664 52.037 -0.053 0.000 0.628 265 A CB -0.596 18.369 19.000 -0.058 0.000 0.814 265 A HN 0.231 nan 8.150 nan 0.000 0.444 266 V N 0.158 119.966 119.914 -0.176 0.000 2.358 266 V HA -0.219 3.894 4.120 -0.013 0.000 0.246 266 V C 2.511 178.573 176.094 -0.054 0.000 1.047 266 V CA 1.772 63.985 62.300 -0.145 0.000 1.035 266 V CB -0.750 30.888 31.823 -0.309 0.000 0.658 266 V HN 0.568 nan 8.190 nan 0.000 0.452 267 L N -0.165 121.022 121.223 -0.059 0.000 2.131 267 L HA -0.164 4.169 4.340 -0.013 0.000 0.210 267 L C 2.106 178.990 176.870 0.022 0.000 1.092 267 L CA 1.303 56.131 54.840 -0.019 0.000 0.759 267 L CB -0.712 41.335 42.059 -0.021 0.000 0.903 267 L HN 0.335 nan 8.230 nan 0.000 0.435 268 D N 0.047 120.488 120.400 0.067 0.000 2.348 268 D HA -0.089 4.544 4.640 -0.013 0.000 0.216 268 D C 2.175 178.605 176.300 0.218 0.000 0.970 268 D CA 0.501 54.593 54.000 0.153 0.000 0.889 268 D CB -0.024 40.888 40.800 0.187 0.000 0.912 268 D HN 0.228 nan 8.370 nan 0.000 0.524 269 R N 0.386 120.955 120.500 0.115 0.000 2.170 269 R HA -0.114 4.219 4.340 -0.013 0.000 0.242 269 R C 1.752 177.923 176.300 -0.214 0.000 1.145 269 R CA 1.054 57.055 56.100 -0.166 0.000 0.984 269 R CB -0.349 29.890 30.300 -0.101 0.000 0.869 269 R HN 0.363 nan 8.270 nan 0.000 0.455 270 N N 0.245 118.900 118.700 -0.074 0.000 2.137 270 N HA -0.202 4.531 4.740 -0.013 0.000 0.190 270 N C 1.275 176.750 175.510 -0.060 0.000 1.017 270 N CA 0.854 53.873 53.050 -0.052 0.000 0.859 270 N CB -0.109 38.373 38.487 -0.009 0.000 1.002 270 N HN 0.023 nan 8.380 nan 0.000 0.428 271 L N 1.082 122.284 121.223 -0.035 0.000 2.012 271 L HA -0.132 4.200 4.340 -0.013 0.000 0.210 271 L C 2.476 179.301 176.870 -0.075 0.000 1.073 271 L CA 1.476 56.313 54.840 -0.005 0.000 0.748 271 L CB -1.177 40.942 42.059 0.100 0.000 0.891 271 L HN 0.155 nan 8.230 nan 0.000 0.431 272 A N -0.801 121.889 122.820 -0.216 0.000 1.902 272 A HA -0.199 4.114 4.320 -0.013 0.000 0.217 272 A C 2.162 179.622 177.584 -0.207 0.000 1.181 272 A CA 1.626 53.505 52.037 -0.265 0.000 0.623 272 A CB -0.487 18.174 19.000 -0.565 0.000 0.818 272 A HN 0.540 nan 8.150 nan 0.000 0.443 273 E N -0.101 119.989 120.200 -0.184 0.000 2.427 273 E HA -0.074 4.268 4.350 -0.013 0.000 0.196 273 E C 1.095 177.650 176.600 -0.075 0.000 1.028 273 E CA 0.254 56.583 56.400 -0.118 0.000 0.864 273 E CB -0.142 29.509 29.700 -0.081 0.000 0.813 273 E HN 0.468 nan 8.360 nan 0.000 0.514 274 N N 1.079 119.743 118.700 -0.061 0.000 2.443 274 N HA -0.116 4.617 4.740 -0.013 0.000 0.184 274 N C 1.591 177.093 175.510 -0.013 0.000 1.037 274 N CA 0.673 53.717 53.050 -0.010 0.000 0.896 274 N CB -0.076 38.411 38.487 -0.000 0.000 0.959 274 N HN 0.261 nan 8.380 nan 0.000 0.442 275 I N 0.366 120.867 120.570 -0.116 0.000 2.194 275 I HA -0.262 3.901 4.170 -0.013 0.000 0.246 275 I C 1.498 177.569 176.117 -0.076 0.000 1.093 275 I CA 1.328 62.525 61.300 -0.171 0.000 1.355 275 I CB -0.216 37.510 38.000 -0.458 0.000 1.046 275 I HN 0.136 nan 8.210 nan 0.000 0.413 276 S N -0.473 115.173 115.700 -0.090 0.000 2.582 276 S HA 0.177 4.640 4.470 -0.013 0.000 0.234 276 S C 1.497 176.226 174.600 0.216 0.000 0.961 276 S CA -0.498 57.737 58.200 0.059 0.000 0.953 276 S CB 0.200 63.417 63.200 0.028 0.000 0.800 276 S HN 0.216 nan 8.310 nan 0.000 0.471 277 R N 1.222 121.858 120.500 0.226 0.000 2.073 277 R HA 0.284 4.617 4.340 -0.013 0.000 0.229 277 R C 0.343 176.908 176.300 0.442 0.000 1.120 277 R CA 1.036 57.316 56.100 0.300 0.000 0.967 277 R CB -0.191 30.245 30.300 0.227 0.000 0.862 277 R HN 0.388 nan 8.270 nan 0.000 0.436 278 V N 0.420 120.559 119.914 0.376 0.000 2.851 278 V HA 0.343 4.455 4.120 -0.013 0.000 0.307 278 V C -1.607 174.484 176.094 -0.004 0.000 1.129 278 V CA -1.380 61.061 62.300 0.236 0.000 0.932 278 V CB 1.774 33.644 31.823 0.078 0.000 1.024 278 V HN 0.143 nan 8.190 nan 0.000 0.426 279 L N 6.992 127.964 121.223 -0.419 0.000 2.410 279 L HA 0.443 4.775 4.340 -0.013 0.000 0.273 279 L C -0.817 175.900 176.870 -0.255 0.000 1.144 279 L CA 0.490 54.866 54.840 -0.773 0.000 0.863 279 L CB 0.330 41.879 42.059 -0.850 0.000 1.140 279 L HN 0.670 nan 8.230 nan 0.000 0.463 280 Y N 7.363 127.568 120.300 -0.159 0.000 2.569 280 Y HA 0.189 4.732 4.550 -0.013 0.000 0.332 280 Y C -1.313 174.575 175.900 -0.020 0.000 1.120 280 Y CA -1.094 56.986 58.100 -0.034 0.000 1.416 280 Y CB 0.378 38.844 38.460 0.010 0.000 1.210 280 Y HN 0.592 nan 8.280 nan 0.000 0.528 281 P HA -0.012 nan 4.420 nan 0.000 0.267 281 P C -0.596 176.836 177.300 0.219 0.000 1.289 281 P CA 0.176 63.381 63.100 0.176 0.000 0.866 281 P CB 0.256 32.148 31.700 0.320 0.000 1.309 282 N N 1.523 120.358 118.700 0.226 0.000 2.895 282 N HA -0.028 4.704 4.740 -0.013 0.000 0.277 282 N C 0.137 175.782 175.510 0.226 0.000 1.185 282 N CA 0.000 53.187 53.050 0.227 0.000 1.106 282 N CB -0.184 38.437 38.487 0.223 0.000 1.422 282 N HN 0.097 nan 8.380 nan 0.000 0.521 283 D N 0.619 121.175 120.400 0.260 0.000 2.349 283 D HA -0.124 4.508 4.640 -0.013 0.000 0.224 283 D C 0.719 177.244 176.300 0.375 0.000 1.029 283 D CA 0.076 54.251 54.000 0.291 0.000 0.879 283 D CB -0.104 40.885 40.800 0.315 0.000 0.906 283 D HN 0.514 nan 8.370 nan 0.000 0.528 284 N N -0.228 118.679 118.700 0.345 0.000 2.414 284 N HA -0.009 4.723 4.740 -0.013 0.000 0.177 284 N C -0.474 175.178 175.510 0.237 0.000 1.062 284 N CA -0.194 53.033 53.050 0.296 0.000 0.890 284 N CB 0.134 38.633 38.487 0.020 0.000 1.070 284 N HN 0.161 nan 8.380 nan 0.000 0.454 285 F N 1.083 121.055 119.950 0.036 0.000 2.653 285 F HA 0.375 4.894 4.527 -0.013 0.000 0.327 285 F C -1.211 174.617 175.800 0.045 0.000 1.195 285 F CA -1.532 56.478 58.000 0.016 0.000 0.993 285 F CB 1.088 40.052 39.000 -0.060 0.000 1.259 285 F HN -0.103 nan 8.300 nan 0.000 0.478 286 F N 5.688 125.360 119.950 -0.463 0.000 2.590 286 F HA 0.227 4.746 4.527 -0.013 0.000 0.389 286 F C -0.135 175.406 175.800 -0.431 0.000 1.049 286 F CA 0.528 58.278 58.000 -0.417 0.000 1.199 286 F CB 0.399 39.124 39.000 -0.458 0.000 1.058 286 F HN 0.523 nan 8.300 nan 0.000 0.556 287 E N 3.958 123.582 120.200 -0.960 0.000 2.145 287 E HA 0.276 4.618 4.350 -0.013 0.000 0.270 287 E C 0.020 175.843 176.600 -1.296 0.000 0.906 287 E CA -0.676 55.236 56.400 -0.814 0.000 0.761 287 E CB 1.602 31.170 29.700 -0.219 0.000 1.116 287 E HN 0.861 nan 8.360 nan 0.000 0.408 288 G N 4.380 112.496 108.800 -1.141 0.000 3.102 288 G HA2 -0.013 3.939 3.960 -0.013 0.000 0.264 288 G HA3 -0.013 3.939 3.960 -0.013 0.000 0.264 288 G C 0.018 174.891 174.900 -0.046 0.000 0.788 288 G CA -0.171 44.509 45.100 -0.701 0.000 2.029 288 G HN 0.127 nan 8.290 nan 0.000 0.608 289 K N 0.745 121.145 120.400 0.001 0.000 2.201 289 K HA 0.160 4.473 4.320 -0.013 0.000 0.278 289 K C 0.981 177.710 176.600 0.215 0.000 1.027 289 K CA -0.568 55.793 56.287 0.123 0.000 0.909 289 K CB 2.208 34.773 32.500 0.109 0.000 1.062 289 K HN 0.496 nan 8.250 nan 0.000 0.465 290 E N 2.046 122.342 120.200 0.159 0.000 2.118 290 E HA -0.215 4.127 4.350 -0.013 0.000 0.195 290 E C 1.469 178.088 176.600 0.032 0.000 0.992 290 E CA 1.022 57.470 56.400 0.079 0.000 0.804 290 E CB 0.196 29.947 29.700 0.085 0.000 0.741 290 E HN 0.406 nan 8.360 nan 0.000 0.458 291 L N 1.190 122.471 121.223 0.098 0.000 2.083 291 L HA -0.159 4.174 4.340 -0.013 0.000 0.209 291 L C 2.462 179.393 176.870 0.102 0.000 1.083 291 L CA 1.731 56.642 54.840 0.117 0.000 0.752 291 L CB -0.458 41.744 42.059 0.238 0.000 0.899 291 L HN 0.001 nan 8.230 nan 0.000 0.433 292 R N -0.609 119.884 120.500 -0.012 0.000 2.092 292 R HA -0.159 4.173 4.340 -0.013 0.000 0.231 292 R C 2.097 178.410 176.300 0.022 0.000 1.119 292 R CA 1.818 57.824 56.100 -0.157 0.000 0.970 292 R CB -0.999 28.993 30.300 -0.514 0.000 0.864 292 R HN 0.401 nan 8.270 nan 0.000 0.440 293 L N 0.890 122.052 121.223 -0.102 0.000 2.046 293 L HA -0.079 4.253 4.340 -0.013 0.000 0.208 293 L C 1.717 178.510 176.870 -0.129 0.000 1.077 293 L CA 1.917 56.485 54.840 -0.452 0.000 0.747 293 L CB -0.417 41.098 42.059 -0.906 0.000 0.896 293 L HN 0.157 nan 8.230 nan 0.000 0.432 294 K N -0.999 119.373 120.400 -0.047 0.000 2.057 294 K HA -0.204 4.109 4.320 -0.013 0.000 0.207 294 K C 2.098 178.846 176.600 0.246 0.000 1.049 294 K CA 1.786 58.113 56.287 0.068 0.000 0.931 294 K CB -0.197 32.162 32.500 -0.235 0.000 0.714 294 K HN 0.510 nan 8.250 nan 0.000 0.440 295 Q N 0.656 120.564 119.800 0.180 0.000 2.050 295 Q HA -0.193 4.140 4.340 -0.013 0.000 0.202 295 Q C 1.971 178.160 176.000 0.315 0.000 0.980 295 Q CA 1.485 57.452 55.803 0.273 0.000 0.840 295 Q CB -0.025 28.889 28.738 0.293 0.000 0.898 295 Q HN 0.387 nan 8.270 nan 0.000 0.424 296 E N -0.229 120.110 120.200 0.231 0.000 2.077 296 E HA -0.214 4.128 4.350 -0.013 0.000 0.193 296 E C 1.741 178.451 176.600 0.184 0.000 0.989 296 E CA 1.054 57.576 56.400 0.203 0.000 0.800 296 E CB -0.144 29.654 29.700 0.163 0.000 0.746 296 E HN 0.331 nan 8.360 nan 0.000 0.452 297 Y N 0.411 120.753 120.300 0.070 0.000 2.263 297 Y HA -0.202 4.340 4.550 -0.013 0.000 0.292 297 Y C 1.971 177.902 175.900 0.052 0.000 1.130 297 Y CA 1.017 59.117 58.100 -0.000 0.000 1.179 297 Y CB -0.372 38.056 38.460 -0.054 0.000 0.998 297 Y HN 0.010 nan 8.280 nan 0.000 0.532 298 F N -0.301 119.634 119.950 -0.024 0.000 2.091 298 F HA -0.255 4.264 4.527 -0.013 0.000 0.299 298 F C 2.473 178.119 175.800 -0.257 0.000 1.103 298 F CA 2.026 59.965 58.000 -0.102 0.000 1.228 298 F CB -1.045 38.049 39.000 0.157 0.000 0.984 298 F HN -0.046 nan 8.300 nan 0.000 0.477 299 V N -0.545 119.328 119.914 -0.069 0.000 2.358 299 V HA -0.198 3.914 4.120 -0.013 0.000 0.246 299 V C 2.203 178.145 176.094 -0.254 0.000 1.047 299 V CA 1.910 64.138 62.300 -0.121 0.000 1.035 299 V CB -0.346 31.604 31.823 0.212 0.000 0.658 299 V HN 0.254 nan 8.190 nan 0.000 0.452 300 V N 0.403 120.177 119.914 -0.234 0.000 2.307 300 V HA -0.176 3.937 4.120 -0.013 0.000 0.245 300 V C 2.782 178.618 176.094 -0.430 0.000 1.045 300 V CA 2.123 64.272 62.300 -0.252 0.000 1.024 300 V CB -1.025 30.711 31.823 -0.144 0.000 0.651 300 V HN 0.641 nan 8.190 nan 0.000 0.449 301 A N -0.188 122.202 122.820 -0.716 0.000 1.873 301 A HA -0.066 4.247 4.320 -0.013 0.000 0.215 301 A C 2.411 179.621 177.584 -0.624 0.000 1.186 301 A CA 1.985 53.594 52.037 -0.714 0.000 0.616 301 A CB -0.813 17.548 19.000 -1.065 0.000 0.823 301 A HN 0.549 nan 8.150 nan 0.000 0.442 302 A N -0.907 121.376 122.820 -0.895 0.000 1.877 302 A HA -0.083 4.229 4.320 -0.013 0.000 0.216 302 A C 2.323 179.421 177.584 -0.810 0.000 1.186 302 A CA 2.350 53.666 52.037 -1.201 0.000 0.620 302 A CB -1.343 16.251 19.000 -2.343 0.000 0.822 302 A HN 0.429 nan 8.150 nan 0.000 0.443 303 T N 0.513 114.731 114.554 -0.560 0.000 2.674 303 T HA -0.114 4.229 4.350 -0.013 0.000 0.265 303 T C 1.839 176.284 174.700 -0.425 0.000 1.039 303 T CA 1.508 63.398 62.100 -0.351 0.000 1.150 303 T CB -0.424 68.231 68.868 -0.355 0.000 0.864 303 T HN 0.338 nan 8.240 nan 0.000 0.427 304 L N 0.669 121.684 121.223 -0.347 0.000 2.079 304 L HA -0.172 4.161 4.340 -0.013 0.000 0.210 304 L C 2.931 179.691 176.870 -0.183 0.000 1.081 304 L CA 1.413 56.100 54.840 -0.254 0.000 0.752 304 L CB -0.511 41.436 42.059 -0.188 0.000 0.896 304 L HN 0.360 nan 8.230 nan 0.000 0.433 305 Q N -0.627 119.063 119.800 -0.183 0.000 2.124 305 Q HA -0.245 4.088 4.340 -0.013 0.000 0.202 305 Q C 1.773 177.754 176.000 -0.032 0.000 0.977 305 Q CA 1.702 57.449 55.803 -0.092 0.000 0.850 305 Q CB -0.063 28.608 28.738 -0.112 0.000 0.901 305 Q HN 0.398 nan 8.270 nan 0.000 0.429 306 D N 0.462 120.835 120.400 -0.044 0.000 2.117 306 D HA -0.101 4.531 4.640 -0.013 0.000 0.198 306 D C 1.665 177.922 176.300 -0.073 0.000 0.982 306 D CA 0.871 54.895 54.000 0.039 0.000 0.828 306 D CB -0.023 40.910 40.800 0.222 0.000 0.967 306 D HN 0.152 nan 8.370 nan 0.000 0.464 307 I N 0.162 120.573 120.570 -0.266 0.000 2.163 307 I HA -0.260 3.903 4.170 -0.013 0.000 0.243 307 I C 2.324 178.453 176.117 0.020 0.000 1.085 307 I CA 0.819 61.904 61.300 -0.358 0.000 1.347 307 I CB -0.179 37.453 38.000 -0.613 0.000 1.044 307 I HN 0.057 nan 8.210 nan 0.000 0.408 308 I N 0.175 120.811 120.570 0.110 0.000 2.252 308 I HA -0.292 3.871 4.170 -0.013 0.000 0.245 308 I C 2.771 179.057 176.117 0.282 0.000 1.102 308 I CA 1.186 62.665 61.300 0.299 0.000 1.385 308 I CB -0.389 37.736 38.000 0.209 0.000 1.064 308 I HN 0.165 nan 8.210 nan 0.000 0.414 309 R N 1.098 121.698 120.500 0.165 0.000 2.094 309 R HA -0.242 4.090 4.340 -0.013 0.000 0.239 309 R C 2.521 178.908 176.300 0.144 0.000 1.137 309 R CA 1.893 58.081 56.100 0.147 0.000 0.943 309 R CB -0.277 30.101 30.300 0.130 0.000 0.850 309 R HN 0.185 nan 8.270 nan 0.000 0.433 310 R N -0.676 119.902 120.500 0.130 0.000 2.096 310 R HA -0.174 4.159 4.340 -0.013 0.000 0.235 310 R C 2.166 178.559 176.300 0.156 0.000 1.127 310 R CA 1.745 57.921 56.100 0.126 0.000 0.968 310 R CB -0.380 29.974 30.300 0.091 0.000 0.861 310 R HN 0.314 nan 8.270 nan 0.000 0.440 311 F N 1.416 121.401 119.950 0.058 0.000 2.134 311 F HA -0.118 4.401 4.527 -0.013 0.000 0.299 311 F C 1.701 177.509 175.800 0.013 0.000 1.097 311 F CA 1.564 59.588 58.000 0.039 0.000 1.264 311 F CB 0.025 39.092 39.000 0.111 0.000 1.001 311 F HN -0.125 nan 8.300 nan 0.000 0.479 312 K N -0.259 120.112 120.400 -0.049 0.000 2.155 312 K HA -0.022 4.290 4.320 -0.013 0.000 0.203 312 K C 1.429 177.945 176.600 -0.141 0.000 1.052 312 K CA 1.190 57.372 56.287 -0.174 0.000 0.948 312 K CB -0.241 32.270 32.500 0.018 0.000 0.728 312 K HN 0.105 nan 8.250 nan 0.000 0.448 313 S N 1.426 117.105 115.700 -0.034 0.000 2.859 313 S HA 0.098 4.560 4.470 -0.013 0.000 0.245 313 S C 0.113 174.719 174.600 0.011 0.000 1.008 313 S CA -0.264 57.954 58.200 0.031 0.000 1.089 313 S CB 0.063 63.332 63.200 0.114 0.000 0.798 313 S HN 0.116 nan 8.310 nan 0.000 0.477 325 N N 0.798 119.485 118.700 -0.021 0.000 2.602 325 N HA 0.302 5.035 4.740 -0.013 0.000 0.238 325 N C -0.466 175.113 175.510 0.114 0.000 1.084 325 N CA -0.151 52.939 53.050 0.068 0.000 0.952 325 N CB 0.111 38.631 38.487 0.054 0.000 1.244 325 N HN 0.145 nan 8.380 nan 0.000 0.512 326 F N 1.512 121.573 119.950 0.184 0.000 2.802 326 F HA 0.056 4.575 4.527 -0.013 0.000 0.300 326 F C 1.391 177.255 175.800 0.108 0.000 1.168 326 F CA 0.178 58.258 58.000 0.134 0.000 1.433 326 F CB 0.292 39.263 39.000 -0.049 0.000 1.115 326 F HN 0.452 nan 8.300 nan 0.000 0.582 327 D N 0.307 120.849 120.400 0.235 0.000 2.178 327 D HA -0.173 4.460 4.640 -0.013 0.000 0.201 327 D C 2.182 178.576 176.300 0.156 0.000 0.980 327 D CA 1.289 55.384 54.000 0.159 0.000 0.842 327 D CB -0.136 40.732 40.800 0.114 0.000 0.948 327 D HN 0.235 nan 8.370 nan 0.000 0.472 328 A N -0.701 122.240 122.820 0.201 0.000 2.251 328 A HA 0.079 4.391 4.320 -0.013 0.000 0.209 328 A C 1.605 179.314 177.584 0.210 0.000 1.187 328 A CA -0.200 51.955 52.037 0.198 0.000 0.823 328 A CB -0.764 18.359 19.000 0.205 0.000 0.846 328 A HN 0.222 nan 8.150 nan 0.000 0.486 329 F N 1.943 121.864 119.950 -0.048 0.000 2.065 329 F HA -0.146 4.374 4.527 -0.012 0.000 0.298 329 F C -0.785 174.914 175.800 -0.168 0.000 1.112 329 F CA 2.578 60.337 58.000 -0.402 0.000 1.212 329 F CB -0.587 38.169 39.000 -0.407 0.000 0.975 329 F HN 0.198 nan 8.300 nan 0.000 0.476 330 P HA -0.083 nan 4.420 nan 0.000 0.230 330 P C 0.669 177.934 177.300 -0.060 0.000 1.158 330 P CA 1.352 64.429 63.100 -0.038 0.000 0.769 330 P CB -0.081 31.623 31.700 0.008 0.000 0.807 331 D N -0.695 119.690 120.400 -0.025 0.000 2.317 331 D HA -0.033 4.599 4.640 -0.013 0.000 0.211 331 D C 1.500 177.789 176.300 -0.020 0.000 0.966 331 D CA 0.918 54.914 54.000 -0.007 0.000 0.876 331 D CB 0.136 40.952 40.800 0.026 0.000 0.927 331 D HN 0.137 nan 8.370 nan 0.000 0.519 332 K N 0.013 120.380 120.400 -0.054 0.000 2.412 332 K HA 0.211 4.524 4.320 -0.013 0.000 0.202 332 K C -0.140 176.382 176.600 -0.131 0.000 1.102 332 K CA 0.065 56.331 56.287 -0.035 0.000 1.027 332 K CB 2.336 34.915 32.500 0.133 0.000 0.931 332 K HN -0.070 nan 8.250 nan 0.000 0.557 333 V N 1.118 120.871 119.914 -0.268 0.000 2.623 333 V HA 0.588 4.700 4.120 -0.013 0.000 0.304 333 V C -1.050 174.962 176.094 -0.137 0.000 1.054 333 V CA -1.269 60.866 62.300 -0.276 0.000 0.882 333 V CB 1.753 33.082 31.823 -0.823 0.000 1.002 333 V HN 0.110 nan 8.190 nan 0.000 0.424 334 A N 5.946 128.732 122.820 -0.057 0.000 2.343 334 A HA 0.936 5.248 4.320 -0.013 0.000 0.316 334 A C -0.908 176.703 177.584 0.045 0.000 1.104 334 A CA -0.503 51.533 52.037 -0.002 0.000 0.768 334 A CB 0.966 19.918 19.000 -0.080 0.000 1.213 334 A HN 0.776 nan 8.150 nan 0.000 0.456 335 I N 1.773 122.414 120.570 0.119 0.000 2.382 335 I HA 0.301 4.463 4.170 -0.013 0.000 0.286 335 I C -0.311 175.896 176.117 0.150 0.000 1.002 335 I CA -0.539 60.840 61.300 0.133 0.000 1.135 335 I CB 1.936 39.996 38.000 0.101 0.000 1.288 335 I HN 0.687 nan 8.210 nan 0.000 0.448 336 Q N 6.729 126.613 119.800 0.139 0.000 2.314 336 Q HA 0.498 4.830 4.340 -0.013 0.000 0.259 336 Q C -1.290 174.700 176.000 -0.016 0.000 0.951 336 Q CA -0.262 55.644 55.803 0.171 0.000 0.909 336 Q CB 1.258 30.204 28.738 0.346 0.000 1.236 336 Q HN 0.571 nan 8.270 nan 0.000 0.444 337 L N 3.773 125.028 121.223 0.054 0.000 2.261 337 L HA 0.380 4.713 4.340 -0.013 0.000 0.289 337 L C 0.082 176.977 176.870 0.041 0.000 1.059 337 L CA -0.699 54.168 54.840 0.045 0.000 0.816 337 L CB 0.565 42.696 42.059 0.121 0.000 1.191 337 L HN 0.558 nan 8.230 nan 0.000 0.431 338 N N 4.739 123.393 118.700 -0.076 0.000 2.448 338 N HA 0.060 4.792 4.740 -0.013 0.000 0.250 338 N C -0.045 175.495 175.510 0.050 0.000 1.136 338 N CA 0.459 53.512 53.050 0.005 0.000 0.953 338 N CB -0.034 38.371 38.487 -0.138 0.000 1.251 338 N HN 0.673 nan 8.380 nan 0.000 0.502 339 D N -0.127 120.388 120.400 0.192 0.000 3.856 339 D HA -0.241 4.391 4.640 -0.013 0.000 0.276 339 D C 0.210 176.597 176.300 0.145 0.000 2.073 339 D CA 1.638 55.725 54.000 0.146 0.000 1.163 339 D CB -0.410 40.256 40.800 -0.223 0.000 0.937 339 D HN 0.533 nan 8.370 nan 0.000 1.140 340 T N -2.596 111.964 114.554 0.009 0.000 3.129 340 T HA 0.081 4.424 4.350 -0.013 0.000 0.251 340 T C 1.556 176.312 174.700 0.093 0.000 1.117 340 T CA 1.355 63.452 62.100 -0.005 0.000 1.034 340 T CB -0.458 68.383 68.868 -0.045 0.000 0.968 340 T HN 0.476 nan 8.240 nan 0.000 0.526 341 H N 2.619 121.780 119.070 0.151 0.000 2.387 341 H HA 0.003 4.552 4.556 -0.013 0.000 0.299 341 H C -0.931 174.486 175.328 0.149 0.000 1.099 341 H CA 0.951 57.103 56.048 0.173 0.000 1.315 341 H CB -0.874 28.993 29.762 0.174 0.000 1.380 341 H HN 0.443 nan 8.280 nan 0.000 0.513 342 P HA 0.095 nan 4.420 nan 0.000 0.262 342 P C 0.657 177.998 177.300 0.068 0.000 1.651 342 P CA 0.277 63.455 63.100 0.131 0.000 1.119 342 P CB 0.410 32.178 31.700 0.114 0.000 1.552 343 S N -0.333 115.399 115.700 0.054 0.000 2.442 343 S HA -0.119 4.344 4.470 -0.013 0.000 0.236 343 S C 1.716 176.313 174.600 -0.006 0.000 1.007 343 S CA 0.768 58.959 58.200 -0.015 0.000 0.965 343 S CB -1.440 61.727 63.200 -0.056 0.000 0.773 343 S HN 0.146 nan 8.310 nan 0.000 0.504 344 L N 1.019 122.253 121.223 0.017 0.000 2.456 344 L HA 0.029 4.362 4.340 -0.013 0.000 0.224 344 L C 2.910 179.806 176.870 0.043 0.000 1.148 344 L CA 0.624 55.473 54.840 0.016 0.000 0.825 344 L CB -0.733 41.331 42.059 0.007 0.000 0.937 344 L HN 0.467 nan 8.230 nan 0.000 0.450 345 A N 0.532 123.362 122.820 0.017 0.000 1.978 345 A HA -0.209 4.104 4.320 -0.013 0.000 0.220 345 A C 2.190 179.769 177.584 -0.008 0.000 1.170 345 A CA 1.586 53.620 52.037 -0.005 0.000 0.636 345 A CB -0.494 18.496 19.000 -0.017 0.000 0.810 345 A HN 0.386 nan 8.150 nan 0.000 0.448 346 I N 0.169 120.735 120.570 -0.006 0.000 2.133 346 I HA -0.138 4.025 4.170 -0.013 0.000 0.238 346 I C -0.399 175.732 176.117 0.023 0.000 1.074 346 I CA 1.480 62.774 61.300 -0.011 0.000 1.342 346 I CB -0.924 37.070 38.000 -0.011 0.000 1.053 346 I HN 0.246 nan 8.210 nan 0.000 0.404 347 P HA -0.145 nan 4.420 nan 0.000 0.222 347 P C 1.269 178.605 177.300 0.059 0.000 1.153 347 P CA 1.363 64.502 63.100 0.064 0.000 0.798 347 P CB 0.059 31.819 31.700 0.100 0.000 0.796 348 E N 0.393 120.689 120.200 0.159 0.000 2.072 348 E HA -0.161 4.181 4.350 -0.013 0.000 0.191 348 E C 1.913 178.502 176.600 -0.019 0.000 0.985 348 E CA 0.754 57.258 56.400 0.173 0.000 0.801 348 E CB -1.212 28.629 29.700 0.235 0.000 0.750 348 E HN -0.015 nan 8.360 nan 0.000 0.452 349 L N -0.024 121.154 121.223 -0.074 0.000 2.046 349 L HA -0.114 4.219 4.340 -0.013 0.000 0.208 349 L C 2.095 178.820 176.870 -0.241 0.000 1.077 349 L CA 1.788 56.522 54.840 -0.176 0.000 0.747 349 L CB -0.596 41.358 42.059 -0.174 0.000 0.896 349 L HN 0.243 nan 8.230 nan 0.000 0.432 350 M N -0.776 118.700 119.600 -0.208 0.000 2.108 350 M HA -0.222 4.250 4.480 -0.013 0.000 0.261 350 M C 2.435 178.572 176.300 -0.272 0.000 1.066 350 M CA 1.580 56.707 55.300 -0.288 0.000 1.107 350 M CB -1.218 31.204 32.600 -0.297 0.000 1.356 350 M HN 0.344 nan 8.290 nan 0.000 0.406 351 R N 0.028 120.398 120.500 -0.218 0.000 2.083 351 R HA -0.132 4.201 4.340 -0.013 0.000 0.237 351 R C 2.062 178.259 176.300 -0.173 0.000 1.137 351 R CA 1.708 57.681 56.100 -0.212 0.000 0.951 351 R CB -0.184 29.941 30.300 -0.292 0.000 0.851 351 R HN 0.217 nan 8.270 nan 0.000 0.434 352 V N 1.482 121.292 119.914 -0.173 0.000 2.295 352 V HA -0.251 3.861 4.120 -0.013 0.000 0.246 352 V C 2.428 178.356 176.094 -0.276 0.000 1.049 352 V CA 1.704 63.893 62.300 -0.184 0.000 1.024 352 V CB -0.425 31.289 31.823 -0.181 0.000 0.648 352 V HN 0.342 nan 8.190 nan 0.000 0.447 353 L N -0.592 120.406 121.223 -0.375 0.000 2.056 353 L HA -0.127 4.206 4.340 -0.013 0.000 0.207 353 L C 2.417 179.100 176.870 -0.311 0.000 1.078 353 L CA 1.148 55.700 54.840 -0.481 0.000 0.749 353 L CB -0.597 41.134 42.059 -0.547 0.000 0.901 353 L HN 0.208 nan 8.230 nan 0.000 0.433 354 V N -0.532 119.243 119.914 -0.231 0.000 2.302 354 V HA -0.189 3.924 4.120 -0.013 0.000 0.243 354 V C 1.947 177.997 176.094 -0.072 0.000 1.036 354 V CA 1.714 63.941 62.300 -0.121 0.000 1.020 354 V CB -0.353 31.429 31.823 -0.068 0.000 0.657 354 V HN 0.361 nan 8.190 nan 0.000 0.453 355 D N -0.188 120.165 120.400 -0.079 0.000 2.194 355 D HA 0.020 4.652 4.640 -0.013 0.000 0.204 355 D C 1.995 178.267 176.300 -0.046 0.000 0.964 355 D CA 1.067 55.039 54.000 -0.047 0.000 0.846 355 D CB 0.154 40.925 40.800 -0.048 0.000 0.962 355 D HN 0.334 nan 8.370 nan 0.000 0.490 356 L N 0.110 121.289 121.223 -0.073 0.000 2.388 356 L HA 0.136 4.469 4.340 -0.013 0.000 0.209 356 L C 1.796 178.635 176.870 -0.051 0.000 1.061 356 L CA 0.454 55.262 54.840 -0.054 0.000 0.834 356 L CB 0.182 42.209 42.059 -0.053 0.000 1.029 356 L HN -0.196 nan 8.230 nan 0.000 0.473 357 E N 0.301 120.437 120.200 -0.107 0.000 2.452 357 E HA 0.067 4.410 4.350 -0.013 0.000 0.197 357 E C 0.084 176.649 176.600 -0.058 0.000 1.022 357 E CA -0.061 56.285 56.400 -0.091 0.000 0.890 357 E CB 0.463 29.995 29.700 -0.280 0.000 0.918 357 E HN 0.187 nan 8.360 nan 0.000 0.496 358 R N -0.158 120.303 120.500 -0.065 0.000 3.656 358 R HA -0.181 4.151 4.340 -0.013 0.000 0.297 358 R C -0.303 175.984 176.300 -0.023 0.000 1.166 358 R CA 0.236 56.321 56.100 -0.025 0.000 0.799 358 R CB -2.852 27.451 30.300 0.005 0.000 1.285 358 R HN 0.087 nan 8.270 nan 0.000 0.477 359 L N 2.291 123.471 121.223 -0.072 0.000 2.436 359 L HA 0.120 4.452 4.340 -0.013 0.000 0.265 359 L C 1.515 178.377 176.870 -0.013 0.000 1.168 359 L CA 0.370 55.177 54.840 -0.054 0.000 0.815 359 L CB 0.370 42.347 42.059 -0.137 0.000 1.109 359 L HN 0.139 nan 8.230 nan 0.000 0.462 360 D N 1.132 121.550 120.400 0.029 0.000 2.357 360 D HA -0.138 4.494 4.640 -0.013 0.000 0.242 360 D C 0.917 177.283 176.300 0.111 0.000 1.153 360 D CA -0.530 53.522 54.000 0.086 0.000 0.918 360 D CB 0.709 41.566 40.800 0.095 0.000 1.181 360 D HN 0.614 nan 8.370 nan 0.000 0.435 361 W N 1.881 123.185 121.300 0.005 0.000 2.315 361 W HA -0.238 4.415 4.660 -0.012 0.000 0.323 361 W C 1.136 177.699 176.519 0.075 0.000 1.233 361 W CA 1.968 59.323 57.345 0.018 0.000 1.267 361 W CB -0.322 29.128 29.460 -0.015 0.000 1.160 361 W HN 0.472 nan 8.180 nan 0.000 0.474 362 D N 0.248 120.846 120.400 0.330 0.000 2.149 362 D HA -0.201 4.431 4.640 -0.013 0.000 0.198 362 D C 1.871 178.272 176.300 0.168 0.000 0.990 362 D CA 1.913 56.081 54.000 0.279 0.000 0.839 362 D CB -0.395 40.542 40.800 0.229 0.000 0.948 362 D HN 0.105 nan 8.370 nan 0.000 0.460 363 K N 1.188 121.644 120.400 0.093 0.000 2.031 363 K HA 0.033 4.345 4.320 -0.013 0.000 0.205 363 K C 1.875 178.461 176.600 -0.023 0.000 1.049 363 K CA 1.362 57.676 56.287 0.045 0.000 0.939 363 K CB -0.533 31.990 32.500 0.038 0.000 0.717 363 K HN -0.015 nan 8.250 nan 0.000 0.438 364 A N 0.795 123.557 122.820 -0.097 0.000 1.908 364 A HA -0.210 4.102 4.320 -0.013 0.000 0.218 364 A C 2.251 179.730 177.584 -0.175 0.000 1.181 364 A CA 1.627 53.536 52.037 -0.214 0.000 0.627 364 A CB -1.272 17.533 19.000 -0.324 0.000 0.818 364 A HN 0.709 nan 8.150 nan 0.000 0.445 365 W N 0.592 121.675 121.300 -0.362 0.000 2.358 365 W HA -0.180 4.473 4.660 -0.012 0.000 0.303 365 W C 2.026 178.483 176.519 -0.103 0.000 1.208 365 W CA 1.872 59.057 57.345 -0.266 0.000 1.274 365 W CB -0.138 29.204 29.460 -0.197 0.000 1.138 365 W HN 0.627 nan 8.180 nan 0.000 0.515 366 E N 0.110 120.290 120.200 -0.032 0.000 2.077 366 E HA -0.221 4.121 4.350 -0.013 0.000 0.193 366 E C 2.046 178.566 176.600 -0.133 0.000 0.989 366 E CA 1.871 58.221 56.400 -0.084 0.000 0.800 366 E CB -0.327 29.387 29.700 0.023 0.000 0.746 366 E HN 0.056 nan 8.360 nan 0.000 0.452 367 V N 0.776 120.627 119.914 -0.106 0.000 2.295 367 V HA -0.258 3.855 4.120 -0.013 0.000 0.246 367 V C 2.396 178.422 176.094 -0.113 0.000 1.049 367 V CA 2.188 64.444 62.300 -0.073 0.000 1.024 367 V CB -0.748 31.028 31.823 -0.079 0.000 0.648 367 V HN 0.394 nan 8.190 nan 0.000 0.447 368 T N 0.002 114.414 114.554 -0.235 0.000 2.674 368 T HA -0.180 4.162 4.350 -0.013 0.000 0.265 368 T C 1.950 176.472 174.700 -0.296 0.000 1.039 368 T CA 1.789 63.725 62.100 -0.274 0.000 1.150 368 T CB -0.290 68.356 68.868 -0.370 0.000 0.864 368 T HN 0.272 nan 8.240 nan 0.000 0.427 369 V N 1.455 121.078 119.914 -0.486 0.000 2.295 369 V HA -0.188 3.924 4.120 -0.013 0.000 0.246 369 V C 2.372 178.425 176.094 -0.068 0.000 1.049 369 V CA 1.681 63.752 62.300 -0.380 0.000 1.024 369 V CB -0.504 31.009 31.823 -0.516 0.000 0.648 369 V HN 0.468 nan 8.190 nan 0.000 0.447 370 K N -0.497 119.846 120.400 -0.096 0.000 2.283 370 K HA -0.105 4.208 4.320 -0.013 0.000 0.202 370 K C 2.092 178.667 176.600 -0.041 0.000 1.048 370 K CA 1.587 57.800 56.287 -0.122 0.000 0.948 370 K CB -0.233 32.194 32.500 -0.121 0.000 0.742 370 K HN 0.478 nan 8.250 nan 0.000 0.458 371 T N 0.160 114.749 114.554 0.058 0.000 2.939 371 T HA 0.016 4.358 4.350 -0.013 0.000 0.254 371 T C 0.896 175.709 174.700 0.188 0.000 1.041 371 T CA 0.428 62.600 62.100 0.120 0.000 1.142 371 T CB 0.111 69.087 68.868 0.179 0.000 0.874 371 T HN 0.169 nan 8.240 nan 0.000 0.452 372 C N 2.321 121.714 119.300 0.155 0.000 2.365 372 C HA 0.890 5.342 4.460 -0.013 0.000 0.351 372 C C 0.570 175.616 174.990 0.093 0.000 1.240 372 C CA -1.236 57.850 59.018 0.112 0.000 2.062 372 C CB 0.156 27.900 27.740 0.007 0.000 2.387 372 C HN 0.594 nan 8.230 nan 0.000 0.537 373 A N 2.095 124.964 122.820 0.081 0.000 2.498 373 A HA 0.795 5.108 4.320 -0.013 0.000 0.298 373 A C -1.602 176.051 177.584 0.115 0.000 1.075 373 A CA -0.437 51.593 52.037 -0.012 0.000 0.714 373 A CB 1.130 20.115 19.000 -0.025 0.000 1.299 373 A HN 0.957 nan 8.150 nan 0.000 0.407 374 Y N 0.906 121.150 120.300 -0.093 0.000 2.361 374 Y HA 0.627 5.170 4.550 -0.012 0.000 0.337 374 Y C -0.628 175.239 175.900 -0.054 0.000 0.965 374 Y CA -0.315 57.737 58.100 -0.079 0.000 1.091 374 Y CB 2.085 40.453 38.460 -0.154 0.000 1.182 374 Y HN 0.573 nan 8.280 nan 0.000 0.450 375 T N 6.531 120.846 114.554 -0.398 0.000 2.758 375 T HA 0.186 4.528 4.350 -0.013 0.000 0.285 375 T C -0.743 173.456 174.700 -0.835 0.000 0.981 375 T CA -0.779 61.020 62.100 -0.503 0.000 0.965 375 T CB 0.435 69.246 68.868 -0.095 0.000 0.927 375 T HN 0.652 nan 8.240 nan 0.000 0.448 376 N N 1.887 120.092 118.700 -0.825 0.000 2.479 376 N HA 0.110 4.843 4.740 -0.013 0.000 0.285 376 N C 0.069 175.413 175.510 -0.276 0.000 1.075 376 N CA -0.283 52.525 53.050 -0.403 0.000 0.967 376 N CB 0.706 39.150 38.487 -0.073 0.000 1.137 376 N HN 0.672 nan 8.380 nan 0.000 0.472 377 H N 1.068 120.149 119.070 0.019 0.000 2.893 377 H HA 0.166 4.714 4.556 -0.013 0.000 0.270 377 H C -0.179 175.068 175.328 -0.135 0.000 1.095 377 H CA -0.032 55.980 56.048 -0.060 0.000 1.186 377 H CB 1.147 30.883 29.762 -0.042 0.000 1.562 377 H HN 0.491 nan 8.280 nan 0.000 0.536 378 T N 0.340 114.915 114.554 0.036 0.000 2.840 378 T HA 0.248 4.591 4.350 -0.013 0.000 0.317 378 T C 0.497 175.211 174.700 0.023 0.000 1.401 378 T CA -0.372 61.701 62.100 -0.044 0.000 1.028 378 T CB 1.515 70.349 68.868 -0.058 0.000 1.317 378 T HN -0.027 nan 8.240 nan 0.000 0.495 379 V N 1.575 121.462 119.914 -0.044 0.000 3.605 379 V HA 0.556 4.668 4.120 -0.013 0.000 0.284 379 V C 0.664 176.713 176.094 -0.075 0.000 1.386 379 V CA -0.018 62.248 62.300 -0.056 0.000 1.053 379 V CB -0.279 31.515 31.823 -0.049 0.000 0.857 379 V HN 0.689 nan 8.190 nan 0.000 0.436 380 L N 3.260 124.429 121.223 -0.090 0.000 2.477 380 L HA 0.219 4.551 4.340 -0.013 0.000 0.272 380 L C -0.624 176.231 176.870 -0.025 0.000 1.157 380 L CA -0.885 53.926 54.840 -0.048 0.000 0.889 380 L CB 1.129 43.153 42.059 -0.058 0.000 1.158 380 L HN 0.172 nan 8.230 nan 0.000 0.473 381 P HA -0.202 nan 4.420 nan 0.000 0.218 381 P C 0.969 178.243 177.300 -0.043 0.000 1.148 381 P CA 1.168 64.251 63.100 -0.028 0.000 0.822 381 P CB 0.076 31.768 31.700 -0.013 0.000 0.784 382 E N 0.327 120.521 120.200 -0.009 0.000 2.418 382 E HA -0.036 4.307 4.350 -0.013 0.000 0.197 382 E C 1.560 178.094 176.600 -0.111 0.000 1.026 382 E CA 0.958 57.320 56.400 -0.064 0.000 0.862 382 E CB -0.673 29.080 29.700 0.088 0.000 0.799 382 E HN 0.194 nan 8.360 nan 0.000 0.518 383 A N 1.226 124.024 122.820 -0.035 0.000 2.195 383 A HA 0.236 4.548 4.320 -0.013 0.000 0.210 383 A C 1.319 178.872 177.584 -0.051 0.000 1.165 383 A CA -0.319 51.720 52.037 0.004 0.000 0.806 383 A CB -0.060 18.967 19.000 0.045 0.000 0.847 383 A HN 0.152 nan 8.150 nan 0.000 0.482 384 L N 1.559 122.705 121.223 -0.129 0.000 2.410 384 L HA 0.113 4.445 4.340 -0.013 0.000 0.273 384 L C -0.067 176.466 176.870 -0.563 0.000 1.152 384 L CA -0.088 54.622 54.840 -0.216 0.000 0.855 384 L CB 0.503 42.469 42.059 -0.155 0.000 1.129 384 L HN 0.356 nan 8.230 nan 0.000 0.463 385 E N 4.114 123.906 120.200 -0.680 0.000 2.257 385 E HA 0.215 4.558 4.350 -0.013 0.000 0.278 385 E C -0.569 175.394 176.600 -1.062 0.000 1.049 385 E CA -0.150 55.403 56.400 -1.412 0.000 0.876 385 E CB 0.720 29.946 29.700 -0.791 0.000 1.035 385 E HN 0.391 nan 8.360 nan 0.000 0.419 386 R N 3.666 123.374 120.500 -1.321 0.000 2.487 386 R HA 0.178 4.510 4.340 -0.013 0.000 0.288 386 R C -1.291 174.832 176.300 -0.295 0.000 1.394 386 R CA -0.538 55.240 56.100 -0.536 0.000 1.155 386 R CB 0.720 30.831 30.300 -0.314 0.000 1.156 386 R HN 0.467 nan 8.270 nan 0.000 0.553 387 W N 4.306 125.562 121.300 -0.073 0.000 2.304 387 W HA 0.233 4.886 4.660 -0.013 0.000 0.313 387 W C -1.851 174.663 176.519 -0.009 0.000 1.323 387 W CA -2.010 55.366 57.345 0.052 0.000 1.223 387 W CB 0.587 30.051 29.460 0.007 0.000 1.237 387 W HN 0.236 nan 8.180 nan 0.000 0.535 388 P HA -0.114 nan 4.420 nan 0.000 0.262 388 P C 0.815 178.093 177.300 -0.037 0.000 1.182 388 P CA 0.293 63.407 63.100 0.022 0.000 0.761 388 P CB 0.689 32.253 31.700 -0.227 0.000 0.795 389 V N 3.335 123.271 119.914 0.037 0.000 2.392 389 V HA -0.285 3.828 4.120 -0.013 0.000 0.249 389 V C 2.135 178.252 176.094 0.038 0.000 1.059 389 V CA 2.542 64.873 62.300 0.052 0.000 1.051 389 V CB -1.667 30.242 31.823 0.143 0.000 0.658 389 V HN 0.766 nan 8.190 nan 0.000 0.455 390 H N -1.077 118.057 119.070 0.106 0.000 2.421 390 H HA -0.099 4.450 4.556 -0.012 0.000 0.298 390 H C 2.049 177.431 175.328 0.091 0.000 1.087 390 H CA 1.691 57.797 56.048 0.096 0.000 1.330 390 H CB -0.583 29.236 29.762 0.095 0.000 1.388 390 H HN 0.350 nan 8.280 nan 0.000 0.526 391 L N -0.004 121.045 121.223 -0.290 0.000 2.027 391 L HA -0.116 4.217 4.340 -0.013 0.000 0.206 391 L C 2.423 179.246 176.870 -0.078 0.000 1.074 391 L CA 1.138 55.913 54.840 -0.108 0.000 0.745 391 L CB -0.285 41.708 42.059 -0.109 0.000 0.898 391 L HN 0.321 nan 8.230 nan 0.000 0.433 392 L N -0.584 120.573 121.223 -0.111 0.000 2.083 392 L HA -0.235 4.098 4.340 -0.013 0.000 0.209 392 L C 2.518 179.328 176.870 -0.100 0.000 1.083 392 L CA 1.150 55.899 54.840 -0.152 0.000 0.752 392 L CB -0.434 41.524 42.059 -0.167 0.000 0.899 392 L HN 0.319 nan 8.230 nan 0.000 0.433 393 E N -0.385 119.799 120.200 -0.027 0.000 2.085 393 E HA -0.215 4.128 4.350 -0.013 0.000 0.194 393 E C 1.892 178.530 176.600 0.064 0.000 0.994 393 E CA 1.898 58.313 56.400 0.025 0.000 0.801 393 E CB 0.140 29.894 29.700 0.090 0.000 0.743 393 E HN 0.440 nan 8.360 nan 0.000 0.453 394 T N 0.698 115.313 114.554 0.102 0.000 2.852 394 T HA -0.068 4.274 4.350 -0.013 0.000 0.256 394 T C 1.728 176.547 174.700 0.199 0.000 1.038 394 T CA 0.727 62.942 62.100 0.191 0.000 1.141 394 T CB -0.121 68.893 68.868 0.243 0.000 0.869 394 T HN 0.080 nan 8.240 nan 0.000 0.439 395 L N -0.027 121.211 121.223 0.025 0.000 2.162 395 L HA 0.361 4.693 4.340 -0.013 0.000 0.205 395 L C 0.451 177.264 176.870 -0.095 0.000 1.086 395 L CA 1.553 56.290 54.840 -0.172 0.000 0.778 395 L CB 0.061 41.976 42.059 -0.240 0.000 0.928 395 L HN 0.169 nan 8.230 nan 0.000 0.446 396 L N 0.711 121.839 121.223 -0.159 0.000 2.625 396 L HA 0.282 4.615 4.340 -0.013 0.000 0.255 396 L C -1.700 174.985 176.870 -0.309 0.000 1.493 396 L CA -0.922 53.731 54.840 -0.311 0.000 0.796 396 L CB 0.873 42.612 42.059 -0.532 0.000 1.064 396 L HN -0.043 nan 8.230 nan 0.000 0.516 397 P HA -0.199 nan 4.420 nan 0.000 0.216 397 P C 1.470 178.571 177.300 -0.332 0.000 1.150 397 P CA 1.207 64.180 63.100 -0.211 0.000 0.837 397 P CB 0.353 32.002 31.700 -0.084 0.000 0.786 398 R N -0.384 119.732 120.500 -0.640 0.000 2.090 398 R HA -0.131 4.201 4.340 -0.013 0.000 0.228 398 R C 2.336 178.317 176.300 -0.531 0.000 1.110 398 R CA 1.500 57.230 56.100 -0.617 0.000 0.973 398 R CB -1.305 28.464 30.300 -0.885 0.000 0.869 398 R HN 0.216 nan 8.270 nan 0.000 0.440 399 H N -0.149 118.605 119.070 -0.527 0.000 2.387 399 H HA -0.068 4.480 4.556 -0.013 0.000 0.299 399 H C 1.823 176.974 175.328 -0.294 0.000 1.090 399 H CA 1.691 57.515 56.048 -0.372 0.000 1.332 399 H CB -0.129 29.378 29.762 -0.425 0.000 1.386 399 H HN 0.098 nan 8.280 nan 0.000 0.516 400 L N 0.551 121.642 121.223 -0.220 0.000 2.012 400 L HA -0.274 4.058 4.340 -0.013 0.000 0.210 400 L C 1.953 178.608 176.870 -0.358 0.000 1.073 400 L CA 1.677 56.314 54.840 -0.339 0.000 0.748 400 L CB -0.301 41.572 42.059 -0.309 0.000 0.891 400 L HN 0.463 nan 8.230 nan 0.000 0.431 401 Q N -0.375 119.329 119.800 -0.160 0.000 2.084 401 Q HA -0.233 4.099 4.340 -0.013 0.000 0.202 401 Q C 2.165 178.179 176.000 0.023 0.000 0.978 401 Q CA 1.605 57.411 55.803 0.005 0.000 0.844 401 Q CB -0.124 28.632 28.738 0.030 0.000 0.898 401 Q HN 0.545 nan 8.270 nan 0.000 0.426 402 I N 0.505 121.069 120.570 -0.010 0.000 2.226 402 I HA -0.283 3.880 4.170 -0.013 0.000 0.245 402 I C 2.153 178.348 176.117 0.130 0.000 1.100 402 I CA 1.103 62.482 61.300 0.132 0.000 1.374 402 I CB -0.141 37.890 38.000 0.052 0.000 1.057 402 I HN 0.193 nan 8.210 nan 0.000 0.413 403 I N -0.610 119.954 120.570 -0.010 0.000 2.226 403 I HA -0.317 3.845 4.170 -0.013 0.000 0.245 403 I C 2.358 178.496 176.117 0.035 0.000 1.100 403 I CA 1.369 62.653 61.300 -0.027 0.000 1.374 403 I CB -0.373 37.542 38.000 -0.141 0.000 1.057 403 I HN 0.166 nan 8.210 nan 0.000 0.413 404 Y N 0.824 121.131 120.300 0.010 0.000 2.181 404 Y HA -0.268 4.275 4.550 -0.013 0.000 0.288 404 Y C 2.601 178.468 175.900 -0.055 0.000 1.146 404 Y CA 1.505 59.596 58.100 -0.014 0.000 1.164 404 Y CB -0.767 37.678 38.460 -0.026 0.000 0.982 404 Y HN 0.197 nan 8.280 nan 0.000 0.515 405 E N 0.343 120.584 120.200 0.069 0.000 2.072 405 E HA -0.128 4.215 4.350 -0.013 0.000 0.191 405 E C 2.082 178.600 176.600 -0.136 0.000 0.985 405 E CA 1.169 57.468 56.400 -0.168 0.000 0.801 405 E CB -0.517 28.915 29.700 -0.446 0.000 0.750 405 E HN 0.461 nan 8.360 nan 0.000 0.452 406 I N 0.735 121.334 120.570 0.049 0.000 2.163 406 I HA -0.301 3.861 4.170 -0.013 0.000 0.243 406 I C 2.279 178.400 176.117 0.007 0.000 1.085 406 I CA 1.439 62.722 61.300 -0.029 0.000 1.347 406 I CB -0.431 37.560 38.000 -0.016 0.000 1.044 406 I HN 0.212 nan 8.210 nan 0.000 0.408 407 N N 0.747 119.497 118.700 0.083 0.000 2.084 407 N HA -0.273 4.459 4.740 -0.013 0.000 0.190 407 N C 1.860 177.451 175.510 0.135 0.000 1.030 407 N CA 1.613 54.757 53.050 0.158 0.000 0.849 407 N CB -0.158 38.440 38.487 0.186 0.000 1.012 407 N HN 0.336 nan 8.380 nan 0.000 0.423 408 Q N 0.021 119.847 119.800 0.043 0.000 2.061 408 Q HA -0.121 4.211 4.340 -0.013 0.000 0.204 408 Q C 2.056 178.039 176.000 -0.029 0.000 0.984 408 Q CA 1.490 57.284 55.803 -0.016 0.000 0.846 408 Q CB -0.014 28.674 28.738 -0.083 0.000 0.902 408 Q HN 0.353 nan 8.270 nan 0.000 0.421 409 R N -0.724 119.737 120.500 -0.066 0.000 2.092 409 R HA -0.120 4.212 4.340 -0.013 0.000 0.231 409 R C 2.168 178.488 176.300 0.033 0.000 1.119 409 R CA 1.348 57.406 56.100 -0.069 0.000 0.970 409 R CB -0.378 29.828 30.300 -0.157 0.000 0.864 409 R HN 0.283 nan 8.270 nan 0.000 0.440 410 F N 1.441 121.359 119.950 -0.053 0.000 2.102 410 F HA -0.121 4.399 4.527 -0.013 0.000 0.298 410 F C 1.862 177.680 175.800 0.030 0.000 1.105 410 F CA 1.396 59.413 58.000 0.028 0.000 1.239 410 F CB -0.202 38.845 39.000 0.079 0.000 0.991 410 F HN -0.108 nan 8.300 nan 0.000 0.474 411 L N -0.031 121.218 121.223 0.044 0.000 2.131 411 L HA -0.242 4.090 4.340 -0.013 0.000 0.210 411 L C 1.993 178.806 176.870 -0.095 0.000 1.092 411 L CA 1.588 56.392 54.840 -0.060 0.000 0.759 411 L CB -0.923 41.157 42.059 0.034 0.000 0.903 411 L HN 0.265 nan 8.230 nan 0.000 0.435 412 N N -0.163 118.496 118.700 -0.068 0.000 2.166 412 N HA -0.183 4.549 4.740 -0.013 0.000 0.186 412 N C 1.930 177.388 175.510 -0.087 0.000 1.019 412 N CA 0.878 53.887 53.050 -0.068 0.000 0.856 412 N CB -0.018 38.434 38.487 -0.058 0.000 0.993 412 N HN 0.279 nan 8.380 nan 0.000 0.426 413 R N 0.522 120.949 120.500 -0.121 0.000 2.075 413 R HA -0.048 4.284 4.340 -0.013 0.000 0.232 413 R C 2.202 178.405 176.300 -0.162 0.000 1.126 413 R CA 0.856 56.876 56.100 -0.133 0.000 0.963 413 R CB -0.296 29.922 30.300 -0.136 0.000 0.858 413 R HN 0.072 nan 8.270 nan 0.000 0.435 414 V N 0.906 120.671 119.914 -0.248 0.000 2.295 414 V HA -0.254 3.858 4.120 -0.013 0.000 0.246 414 V C 2.408 178.506 176.094 0.005 0.000 1.049 414 V CA 2.012 64.234 62.300 -0.131 0.000 1.024 414 V CB -0.756 30.919 31.823 -0.247 0.000 0.648 414 V HN 0.424 nan 8.190 nan 0.000 0.447 415 A N -0.069 122.725 122.820 -0.043 0.000 1.940 415 A HA -0.116 4.196 4.320 -0.013 0.000 0.219 415 A C 2.368 179.936 177.584 -0.027 0.000 1.176 415 A CA 2.121 54.148 52.037 -0.017 0.000 0.631 415 A CB -0.667 18.313 19.000 -0.033 0.000 0.814 415 A HN 0.589 nan 8.150 nan 0.000 0.446 416 A N -0.593 122.193 122.820 -0.057 0.000 1.968 416 A HA 0.319 4.632 4.320 -0.013 0.000 0.217 416 A C 2.374 179.882 177.584 -0.126 0.000 1.169 416 A CA 1.634 53.626 52.037 -0.075 0.000 0.638 416 A CB -0.667 18.290 19.000 -0.070 0.000 0.812 416 A HN 0.952 nan 8.150 nan 0.000 0.446 417 A N -1.671 121.043 122.820 -0.176 0.000 1.975 417 A HA 0.361 4.673 4.320 -0.013 0.000 0.215 417 A C 0.489 177.678 177.584 -0.659 0.000 1.170 417 A CA 0.566 52.345 52.037 -0.430 0.000 0.656 417 A CB -0.182 18.511 19.000 -0.513 0.000 0.821 417 A HN 0.420 nan 8.150 nan 0.000 0.449 418 F N -0.006 119.896 119.950 -0.080 0.000 2.584 418 F HA 0.332 4.852 4.527 -0.013 0.000 0.328 418 F C -2.775 172.988 175.800 -0.062 0.000 1.407 418 F CA -2.711 55.246 58.000 -0.070 0.000 1.145 418 F CB 0.863 39.813 39.000 -0.084 0.000 1.440 418 F HN -0.057 nan 8.300 nan 0.000 0.580 419 P HA 0.217 nan 4.420 nan 0.000 0.267 419 P C 1.005 178.325 177.300 0.033 0.000 1.205 419 P CA 0.906 64.018 63.100 0.020 0.000 0.765 419 P CB 0.971 32.663 31.700 -0.012 0.000 0.828 420 G N 2.450 111.262 108.800 0.021 0.000 2.205 420 G HA2 -0.245 3.708 3.960 -0.013 0.000 0.261 420 G HA3 -0.245 3.708 3.960 -0.013 0.000 0.261 420 G C 0.334 175.243 174.900 0.015 0.000 0.980 420 G CA 0.028 45.136 45.100 0.014 0.000 0.632 420 G HN 0.603 nan 8.290 nan 0.000 0.533 421 D N 1.479 121.896 120.400 0.029 0.000 2.551 421 D HA 0.370 5.002 4.640 -0.013 0.000 0.223 421 D C 2.106 178.395 176.300 -0.018 0.000 1.144 421 D CA 0.442 54.445 54.000 0.005 0.000 1.025 421 D CB 0.349 41.152 40.800 0.005 0.000 1.085 421 D HN 0.603 nan 8.370 nan 0.000 0.506 422 V N 0.609 120.515 119.914 -0.014 0.000 2.515 422 V HA -0.135 3.978 4.120 -0.013 0.000 0.250 422 V C 1.786 177.867 176.094 -0.021 0.000 1.058 422 V CA 1.468 63.759 62.300 -0.015 0.000 1.064 422 V CB -0.459 31.359 31.823 -0.008 0.000 0.675 422 V HN 0.210 nan 8.190 nan 0.000 0.461 423 D N 0.312 120.696 120.400 -0.027 0.000 2.183 423 D HA -0.149 4.484 4.640 -0.013 0.000 0.203 423 D C 2.328 178.599 176.300 -0.049 0.000 0.969 423 D CA 1.141 55.125 54.000 -0.027 0.000 0.842 423 D CB -0.178 40.607 40.800 -0.024 0.000 0.957 423 D HN 0.427 nan 8.370 nan 0.000 0.484 424 R N -0.141 120.305 120.500 -0.090 0.000 2.081 424 R HA -0.092 4.240 4.340 -0.013 0.000 0.235 424 R C 2.216 178.443 176.300 -0.121 0.000 1.131 424 R CA 0.878 56.885 56.100 -0.155 0.000 0.960 424 R CB -0.222 29.921 30.300 -0.262 0.000 0.856 424 R HN 0.258 nan 8.270 nan 0.000 0.436 425 L N 0.537 121.716 121.223 -0.074 0.000 2.012 425 L HA -0.221 4.112 4.340 -0.013 0.000 0.210 425 L C 2.684 179.557 176.870 0.004 0.000 1.073 425 L CA 1.954 56.771 54.840 -0.039 0.000 0.748 425 L CB -0.494 41.552 42.059 -0.022 0.000 0.891 425 L HN 0.302 nan 8.230 nan 0.000 0.431 426 R N -0.035 120.473 120.500 0.013 0.000 2.115 426 R HA -0.081 4.251 4.340 -0.013 0.000 0.226 426 R C 2.181 178.530 176.300 0.081 0.000 1.100 426 R CA 0.868 56.998 56.100 0.049 0.000 0.980 426 R CB -0.477 29.847 30.300 0.039 0.000 0.875 426 R HN 0.179 nan 8.270 nan 0.000 0.445 427 R N 0.184 120.713 120.500 0.049 0.000 2.092 427 R HA 0.088 4.421 4.340 -0.013 0.000 0.231 427 R C 1.994 178.369 176.300 0.126 0.000 1.119 427 R CA 1.787 57.939 56.100 0.087 0.000 0.970 427 R CB -0.178 30.133 30.300 0.019 0.000 0.864 427 R HN 0.334 nan 8.270 nan 0.000 0.440 428 M N 0.059 119.659 119.600 0.000 0.000 2.509 428 M HA 0.045 4.517 4.480 -0.013 0.000 0.250 428 M C 0.828 177.256 176.300 0.214 0.000 1.132 428 M CA -0.021 55.219 55.300 -0.101 0.000 1.080 428 M CB 0.503 32.897 32.600 -0.342 0.000 1.408 428 M HN -0.083 nan 8.290 nan 0.000 0.484 429 S N 1.078 116.925 115.700 0.246 0.000 2.558 429 S HA 0.065 4.528 4.470 -0.013 0.000 0.288 429 S C 1.193 176.036 174.600 0.405 0.000 1.318 429 S CA -0.291 58.083 58.200 0.289 0.000 1.056 429 S CB 0.596 63.915 63.200 0.198 0.000 0.853 429 S HN 0.365 nan 8.310 nan 0.000 0.505 430 L N 4.068 125.485 121.223 0.323 0.000 2.217 430 L HA 0.054 4.386 4.340 -0.013 0.000 0.211 430 L C 0.456 177.437 176.870 0.186 0.000 1.107 430 L CA 0.510 55.502 54.840 0.254 0.000 0.783 430 L CB -0.464 41.688 42.059 0.155 0.000 0.919 430 L HN 0.437 nan 8.230 nan 0.000 0.442 431 V N 0.935 120.968 119.914 0.199 0.000 2.406 431 V HA 0.128 4.240 4.120 -0.013 0.000 0.272 431 V C 0.150 176.333 176.094 0.149 0.000 1.043 431 V CA -0.526 61.881 62.300 0.178 0.000 0.915 431 V CB 1.243 33.203 31.823 0.228 0.000 0.988 431 V HN 0.183 nan 8.190 nan 0.000 0.466 432 E N 3.561 123.830 120.200 0.114 0.000 2.115 432 E HA 0.354 4.697 4.350 -0.013 0.000 0.282 432 E C -0.620 176.034 176.600 0.089 0.000 0.987 432 E CA -0.481 55.975 56.400 0.094 0.000 0.797 432 E CB 1.652 31.387 29.700 0.058 0.000 1.086 432 E HN 0.632 nan 8.360 nan 0.000 0.397 433 E N 1.034 121.283 120.200 0.082 0.000 2.349 433 E HA 0.570 4.913 4.350 -0.013 0.000 0.262 433 E C 0.233 176.871 176.600 0.063 0.000 1.088 433 E CA 0.343 56.785 56.400 0.071 0.000 0.899 433 E CB 1.406 31.141 29.700 0.058 0.000 1.044 433 E HN 0.651 nan 8.360 nan 0.000 0.420 434 G N -0.225 108.612 108.800 0.060 0.000 2.356 434 G HA2 0.282 4.235 3.960 -0.013 0.000 0.266 434 G HA3 0.282 4.235 3.960 -0.013 0.000 0.266 434 G C 0.346 175.281 174.900 0.059 0.000 1.312 434 G CA 0.019 45.153 45.100 0.055 0.000 0.922 434 G HN 0.570 nan 8.290 nan 0.000 0.480 435 A N -0.783 122.071 122.820 0.057 0.000 1.852 435 A HA 0.278 4.590 4.320 -0.013 0.000 0.217 435 A C 1.731 179.360 177.584 0.076 0.000 1.215 435 A CA 3.763 55.836 52.037 0.059 0.000 0.641 435 A CB -1.383 17.651 19.000 0.057 0.000 0.838 435 A HN 2.290 nan 8.150 nan 0.000 0.450 436 V N -2.670 117.302 119.914 0.096 0.000 2.427 436 V HA 0.498 4.611 4.120 -0.013 0.000 0.286 436 V C -0.276 175.894 176.094 0.128 0.000 1.034 436 V CA -1.344 61.038 62.300 0.136 0.000 0.893 436 V CB 1.230 33.171 31.823 0.196 0.000 0.982 436 V HN 0.352 nan 8.190 nan 0.000 0.452 437 K N 4.200 124.683 120.400 0.138 0.000 2.401 437 K HA 0.417 4.730 4.320 -0.013 0.000 0.278 437 K C -0.286 176.391 176.600 0.128 0.000 1.018 437 K CA -0.014 56.351 56.287 0.130 0.000 0.981 437 K CB 0.758 33.345 32.500 0.146 0.000 0.933 437 K HN 0.746 nan 8.250 nan 0.000 0.477 438 R N 1.658 122.221 120.500 0.104 0.000 2.837 438 R HA 0.463 4.795 4.340 -0.013 0.000 0.271 438 R C -0.569 175.774 176.300 0.072 0.000 0.993 438 R CA -1.004 55.147 56.100 0.084 0.000 0.931 438 R CB 1.315 31.644 30.300 0.048 0.000 1.206 438 R HN 0.371 nan 8.270 nan 0.000 0.474 439 I N 2.007 122.616 120.570 0.065 0.000 2.315 439 I HA 0.144 4.307 4.170 -0.013 0.000 0.291 439 I C -0.070 176.033 176.117 -0.024 0.000 1.006 439 I CA -0.664 60.660 61.300 0.041 0.000 1.265 439 I CB 0.983 39.008 38.000 0.041 0.000 1.387 439 I HN 0.502 nan 8.210 nan 0.000 0.475 440 N N 7.176 125.831 118.700 -0.074 0.000 2.402 440 N HA 0.104 4.836 4.740 -0.013 0.000 0.252 440 N C 0.760 176.163 175.510 -0.179 0.000 1.118 440 N CA -0.314 52.606 53.050 -0.216 0.000 0.945 440 N CB 0.987 39.203 38.487 -0.452 0.000 1.147 440 N HN 0.379 nan 8.380 nan 0.000 0.495 441 M N 2.380 121.877 119.600 -0.171 0.000 2.319 441 M HA -0.027 4.446 4.480 -0.013 0.000 0.265 441 M C 1.897 178.047 176.300 -0.249 0.000 1.068 441 M CA 0.592 55.811 55.300 -0.135 0.000 1.118 441 M CB -1.470 31.102 32.600 -0.048 0.000 1.395 441 M HN 0.601 nan 8.290 nan 0.000 0.435 442 A N -0.335 122.327 122.820 -0.264 0.000 1.902 442 A HA -0.172 4.140 4.320 -0.013 0.000 0.217 442 A C 1.973 179.305 177.584 -0.420 0.000 1.181 442 A CA 1.465 53.297 52.037 -0.342 0.000 0.623 442 A CB -1.124 17.866 19.000 -0.018 0.000 0.818 442 A HN 0.590 nan 8.150 nan 0.000 0.443 443 H N -1.053 117.785 119.070 -0.386 0.000 2.389 443 H HA -0.028 4.520 4.556 -0.013 0.000 0.299 443 H C 2.126 177.223 175.328 -0.385 0.000 1.081 443 H CA 0.913 56.704 56.048 -0.429 0.000 1.345 443 H CB -0.063 29.666 29.762 -0.054 0.000 1.393 443 H HN 0.373 nan 8.280 nan 0.000 0.520 444 L N 0.412 121.544 121.223 -0.151 0.000 2.012 444 L HA -0.241 4.091 4.340 -0.013 0.000 0.210 444 L C 2.282 179.005 176.870 -0.245 0.000 1.073 444 L CA 1.371 56.120 54.840 -0.152 0.000 0.748 444 L CB -0.419 41.579 42.059 -0.101 0.000 0.891 444 L HN 0.450 nan 8.230 nan 0.000 0.431 445 C N 0.010 119.057 119.300 -0.422 0.000 2.429 445 C HA -0.176 4.276 4.460 -0.013 0.000 0.277 445 C C 2.655 177.360 174.990 -0.475 0.000 1.262 445 C CA 0.678 59.350 59.018 -0.577 0.000 1.733 445 C CB -0.762 26.218 27.740 -1.268 0.000 2.010 445 C HN 0.517 nan 8.230 nan 0.000 0.483 446 I N 1.439 121.685 120.570 -0.540 0.000 2.202 446 I HA -0.189 3.973 4.170 -0.013 0.000 0.242 446 I C 2.775 178.749 176.117 -0.240 0.000 1.091 446 I CA 1.639 62.685 61.300 -0.423 0.000 1.368 446 I CB -0.649 36.963 38.000 -0.648 0.000 1.058 446 I HN 0.255 nan 8.210 nan 0.000 0.410 447 A N 0.680 123.326 122.820 -0.291 0.000 1.908 447 A HA -0.152 4.160 4.320 -0.013 0.000 0.218 447 A C 2.214 179.856 177.584 0.096 0.000 1.181 447 A CA 2.066 53.974 52.037 -0.214 0.000 0.627 447 A CB -1.280 17.396 19.000 -0.540 0.000 0.818 447 A HN 0.499 nan 8.150 nan 0.000 0.445 448 G N -1.334 107.453 108.800 -0.022 0.000 3.284 448 G HA2 0.423 4.376 3.960 -0.013 0.000 0.236 448 G HA3 0.423 4.376 3.960 -0.013 0.000 0.236 448 G C 0.078 174.816 174.900 -0.269 0.000 1.158 448 G CA 0.498 45.465 45.100 -0.221 0.000 0.774 448 G HN 0.345 nan 8.290 nan 0.000 0.545 449 S N -0.297 115.301 115.700 -0.169 0.000 2.536 449 S HA 0.316 4.778 4.470 -0.013 0.000 0.298 449 S C 0.794 175.346 174.600 -0.079 0.000 1.083 449 S CA -0.709 57.416 58.200 -0.125 0.000 0.995 449 S CB 1.280 64.409 63.200 -0.119 0.000 1.058 449 S HN 0.506 nan 8.310 nan 0.000 0.488 450 H N 0.125 119.163 119.070 -0.054 0.000 2.548 450 H HA 0.448 4.997 4.556 -0.013 0.000 0.268 450 H C 0.170 175.494 175.328 -0.006 0.000 0.975 450 H CA 0.369 56.415 56.048 -0.004 0.000 1.195 450 H CB 0.145 29.917 29.762 0.017 0.000 1.397 450 H HN 0.501 nan 8.280 nan 0.000 0.572 451 A N 1.043 123.559 122.820 -0.507 0.000 2.455 451 A HA 0.563 4.876 4.320 -0.013 0.000 0.300 451 A C -1.372 176.016 177.584 -0.327 0.000 1.040 451 A CA -0.582 51.217 52.037 -0.396 0.000 0.697 451 A CB 2.278 21.009 19.000 -0.449 0.000 1.265 451 A HN 0.098 nan 8.150 nan 0.000 0.407 452 V N 4.085 123.772 119.914 -0.378 0.000 2.531 452 V HA 0.546 4.659 4.120 -0.013 0.000 0.301 452 V C -0.770 175.127 176.094 -0.329 0.000 1.034 452 V CA -0.774 61.287 62.300 -0.399 0.000 0.865 452 V CB 1.832 33.255 31.823 -0.667 0.000 0.995 452 V HN 1.015 nan 8.190 nan 0.000 0.424 453 N N 3.096 121.621 118.700 -0.291 0.000 2.229 453 N HA 0.601 5.333 4.740 -0.013 0.000 0.298 453 N C -0.257 175.144 175.510 -0.181 0.000 1.114 453 N CA -0.361 52.565 53.050 -0.206 0.000 0.776 453 N CB 2.882 41.230 38.487 -0.232 0.000 1.501 453 N HN 0.641 nan 8.380 nan 0.000 0.474 454 G N -0.665 108.068 108.800 -0.111 0.000 2.537 454 G HA2 0.429 4.381 3.960 -0.013 0.000 0.297 454 G HA3 0.429 4.381 3.960 -0.013 0.000 0.297 454 G C 0.745 175.711 174.900 0.111 0.000 1.310 454 G CA -0.390 44.707 45.100 -0.004 0.000 1.027 454 G HN 0.658 nan 8.290 nan 0.000 0.505 455 V N -4.075 116.026 119.914 0.313 0.000 3.477 455 V HA 0.705 4.818 4.120 -0.013 0.000 0.297 455 V C 0.542 176.723 176.094 0.145 0.000 1.433 455 V CA 0.457 62.850 62.300 0.156 0.000 1.052 455 V CB -0.601 31.267 31.823 0.075 0.000 0.895 455 V HN 1.304 nan 8.190 nan 0.000 0.438 456 A N 0.078 122.996 122.820 0.163 0.000 2.612 456 A HA 0.667 4.979 4.320 -0.013 0.000 0.293 456 A C 0.720 178.356 177.584 0.088 0.000 1.075 456 A CA -0.108 51.999 52.037 0.117 0.000 0.680 456 A CB 1.328 20.386 19.000 0.096 0.000 1.279 456 A HN 0.026 nan 8.150 nan 0.000 0.411 457 R N 0.670 121.201 120.500 0.051 0.000 2.083 457 R HA -0.142 4.190 4.340 -0.013 0.000 0.237 457 R C 1.585 177.884 176.300 -0.002 0.000 1.137 457 R CA 2.243 58.350 56.100 0.011 0.000 0.951 457 R CB -0.224 30.077 30.300 0.002 0.000 0.851 457 R HN 0.813 nan 8.270 nan 0.000 0.434 458 I N 0.311 120.889 120.570 0.013 0.000 2.315 458 I HA -0.278 3.884 4.170 -0.013 0.000 0.248 458 I C 2.325 178.450 176.117 0.013 0.000 1.117 458 I CA 1.729 63.029 61.300 -0.001 0.000 1.404 458 I CB -0.208 37.791 38.000 -0.003 0.000 1.071 458 I HN 0.345 nan 8.210 nan 0.000 0.419 459 H N 0.224 119.266 119.070 -0.046 0.000 2.326 459 H HA -0.110 4.439 4.556 -0.013 0.000 0.301 459 H C 2.254 177.549 175.328 -0.054 0.000 1.081 459 H CA 2.165 58.180 56.048 -0.054 0.000 1.334 459 H CB -0.237 29.499 29.762 -0.044 0.000 1.385 459 H HN 0.222 nan 8.280 nan 0.000 0.504 460 S N 0.421 115.997 115.700 -0.207 0.000 2.382 460 S HA -0.126 4.336 4.470 -0.013 0.000 0.228 460 S C 1.889 176.371 174.600 -0.197 0.000 1.027 460 S CA 1.197 59.259 58.200 -0.230 0.000 0.991 460 S CB -0.077 63.060 63.200 -0.105 0.000 0.823 460 S HN 0.487 nan 8.310 nan 0.000 0.469 461 E N 1.227 121.332 120.200 -0.157 0.000 2.072 461 E HA -0.027 4.316 4.350 -0.013 0.000 0.191 461 E C 2.020 178.507 176.600 -0.188 0.000 0.985 461 E CA 0.700 56.998 56.400 -0.170 0.000 0.801 461 E CB -0.400 29.231 29.700 -0.115 0.000 0.750 461 E HN 0.510 nan 8.360 nan 0.000 0.452 462 I N 0.961 121.433 120.570 -0.163 0.000 2.286 462 I HA -0.268 3.895 4.170 -0.013 0.000 0.248 462 I C 2.393 178.385 176.117 -0.208 0.000 1.115 462 I CA 0.758 61.965 61.300 -0.155 0.000 1.392 462 I CB -0.219 37.721 38.000 -0.099 0.000 1.065 462 I HN 0.064 nan 8.210 nan 0.000 0.418 463 L N 0.346 121.412 121.223 -0.262 0.000 2.046 463 L HA -0.228 4.104 4.340 -0.013 0.000 0.208 463 L C 2.499 179.263 176.870 -0.177 0.000 1.077 463 L CA 1.570 56.277 54.840 -0.221 0.000 0.747 463 L CB -0.575 41.429 42.059 -0.092 0.000 0.896 463 L HN 0.203 nan 8.230 nan 0.000 0.432 464 K N -0.127 120.087 120.400 -0.310 0.000 2.155 464 K HA -0.126 4.186 4.320 -0.013 0.000 0.203 464 K C 2.071 178.453 176.600 -0.364 0.000 1.052 464 K CA 0.995 56.936 56.287 -0.577 0.000 0.948 464 K CB 0.082 32.003 32.500 -0.966 0.000 0.728 464 K HN 0.231 nan 8.250 nan 0.000 0.448 465 K N -0.238 120.015 120.400 -0.245 0.000 2.284 465 K HA -0.023 4.290 4.320 -0.013 0.000 0.198 465 K C 1.862 178.405 176.600 -0.096 0.000 1.048 465 K CA 1.301 57.500 56.287 -0.147 0.000 0.987 465 K CB 0.537 32.960 32.500 -0.128 0.000 0.800 465 K HN 0.251 nan 8.250 nan 0.000 0.486 466 T N -1.497 112.990 114.554 -0.111 0.000 3.409 466 T HA 0.053 4.395 4.350 -0.013 0.000 0.188 466 T C 1.889 176.538 174.700 -0.085 0.000 0.929 466 T CA 0.043 62.090 62.100 -0.088 0.000 1.184 466 T CB -0.734 68.078 68.868 -0.094 0.000 1.570 466 T HN 0.107 nan 8.240 nan 0.000 0.367 467 I N -0.983 119.473 120.570 -0.191 0.000 2.394 467 I HA 0.264 4.427 4.170 -0.013 0.000 0.251 467 I C 1.397 177.450 176.117 -0.108 0.000 1.136 467 I CA 1.239 62.389 61.300 -0.250 0.000 1.425 467 I CB -0.560 37.152 38.000 -0.479 0.000 1.079 467 I HN 0.252 nan 8.210 nan 0.000 0.425 468 F N 0.882 120.911 119.950 0.133 0.000 2.708 468 F HA 0.345 4.864 4.527 -0.013 0.000 0.300 468 F C 2.007 177.912 175.800 0.176 0.000 1.118 468 F CA -0.639 57.519 58.000 0.263 0.000 1.307 468 F CB 0.117 39.297 39.000 0.300 0.000 0.986 468 F HN -0.085 nan 8.300 nan 0.000 0.522 469 K N 1.141 121.653 120.400 0.187 0.000 2.059 469 K HA -0.238 4.075 4.320 -0.013 0.000 0.212 469 K C 1.349 178.005 176.600 0.093 0.000 1.050 469 K CA 2.316 58.655 56.287 0.086 0.000 0.927 469 K CB -0.054 32.461 32.500 0.026 0.000 0.714 469 K HN 0.157 nan 8.250 nan 0.000 0.447 470 D N -0.193 120.241 120.400 0.056 0.000 2.123 470 D HA -0.166 4.466 4.640 -0.013 0.000 0.196 470 D C 1.823 178.032 176.300 -0.153 0.000 0.992 470 D CA 1.284 55.185 54.000 -0.164 0.000 0.833 470 D CB -0.296 40.310 40.800 -0.324 0.000 0.954 470 D HN 0.261 nan 8.370 nan 0.000 0.455 471 F N -0.213 119.811 119.950 0.123 0.000 2.206 471 F HA -0.136 4.384 4.527 -0.013 0.000 0.298 471 F C 2.343 178.280 175.800 0.229 0.000 1.090 471 F CA 0.483 58.636 58.000 0.256 0.000 1.323 471 F CB -0.680 38.556 39.000 0.394 0.000 1.028 471 F HN -0.041 nan 8.300 nan 0.000 0.492 472 Y N 1.413 121.664 120.300 -0.082 0.000 2.181 472 Y HA -0.222 4.320 4.550 -0.012 0.000 0.288 472 Y C 2.135 177.997 175.900 -0.064 0.000 1.146 472 Y CA 1.711 59.550 58.100 -0.434 0.000 1.164 472 Y CB -0.627 37.402 38.460 -0.718 0.000 0.982 472 Y HN 0.140 nan 8.280 nan 0.000 0.515 473 E N -0.436 119.694 120.200 -0.116 0.000 2.106 473 E HA -0.195 4.148 4.350 -0.013 0.000 0.192 473 E C 2.021 178.675 176.600 0.090 0.000 0.984 473 E CA 1.186 57.540 56.400 -0.076 0.000 0.806 473 E CB -0.279 29.427 29.700 0.009 0.000 0.750 473 E HN 0.432 nan 8.360 nan 0.000 0.458 474 L N 0.976 122.291 121.223 0.154 0.000 2.044 474 L HA -0.069 4.263 4.340 -0.013 0.000 0.205 474 L C 0.242 177.194 176.870 0.137 0.000 1.075 474 L CA 1.701 56.671 54.840 0.217 0.000 0.747 474 L CB 0.341 42.516 42.059 0.192 0.000 0.903 474 L HN -0.090 nan 8.230 nan 0.000 0.435 475 E N -0.258 120.017 120.200 0.125 0.000 3.132 475 E HA 0.183 4.525 4.350 -0.013 0.000 0.241 475 E C -2.010 174.525 176.600 -0.108 0.000 1.196 475 E CA -1.231 55.159 56.400 -0.017 0.000 0.869 475 E CB 0.828 30.523 29.700 -0.008 0.000 1.387 475 E HN 0.202 nan 8.360 nan 0.000 0.393 476 P HA -0.226 nan 4.420 nan 0.000 0.220 476 P C 1.183 178.576 177.300 0.155 0.000 1.148 476 P CA 1.276 64.281 63.100 -0.158 0.000 0.803 476 P CB -0.035 31.431 31.700 -0.389 0.000 0.782 477 H N 0.233 119.410 119.070 0.179 0.000 2.489 477 H HA 0.054 4.603 4.556 -0.013 0.000 0.293 477 H C 1.424 176.855 175.328 0.171 0.000 1.066 477 H CA 0.798 56.942 56.048 0.160 0.000 1.305 477 H CB -0.679 29.147 29.762 0.107 0.000 1.386 477 H HN 0.161 nan 8.280 nan 0.000 0.551 478 K N 0.294 120.611 120.400 -0.138 0.000 2.217 478 K HA 0.036 4.348 4.320 -0.013 0.000 0.202 478 K C -0.146 176.345 176.600 -0.181 0.000 1.051 478 K CA 0.263 56.462 56.287 -0.147 0.000 0.952 478 K CB 0.105 32.413 32.500 -0.319 0.000 0.736 478 K HN 0.116 nan 8.250 nan 0.000 0.453 479 F N 1.782 121.762 119.950 0.050 0.000 2.424 479 F HA 0.178 4.698 4.527 -0.013 0.000 0.356 479 F C 0.472 176.277 175.800 0.009 0.000 1.110 479 F CA -0.271 57.761 58.000 0.054 0.000 1.161 479 F CB 0.969 40.058 39.000 0.148 0.000 1.115 479 F HN -0.114 nan 8.300 nan 0.000 0.507 480 Q N 1.856 121.686 119.800 0.050 0.000 2.528 480 Q HA 0.347 4.680 4.340 -0.013 0.000 0.289 480 Q C -1.141 174.821 176.000 -0.064 0.000 1.091 480 Q CA -1.249 54.538 55.803 -0.026 0.000 0.797 480 Q CB 3.082 31.751 28.738 -0.115 0.000 1.466 480 Q HN 0.612 nan 8.270 nan 0.000 0.436 481 N N 0.747 119.393 118.700 -0.090 0.000 2.314 481 N HA 0.266 4.999 4.740 -0.013 0.000 0.304 481 N C -1.414 173.999 175.510 -0.162 0.000 1.073 481 N CA -0.386 52.606 53.050 -0.096 0.000 0.822 481 N CB 0.958 39.410 38.487 -0.058 0.000 1.280 481 N HN 0.273 nan 8.380 nan 0.000 0.489 482 K N 2.737 123.043 120.400 -0.157 0.000 2.675 482 K HA 0.189 4.502 4.320 -0.013 0.000 0.224 482 K C -0.939 175.671 176.600 0.015 0.000 1.003 482 K CA -0.499 55.672 56.287 -0.194 0.000 1.034 482 K CB 1.308 33.466 32.500 -0.570 0.000 1.218 482 K HN 0.535 nan 8.250 nan 0.000 0.507 483 T N 2.139 116.719 114.554 0.043 0.000 2.902 483 T HA 0.061 4.404 4.350 -0.013 0.000 0.301 483 T C 0.778 175.609 174.700 0.218 0.000 1.012 483 T CA 0.281 62.459 62.100 0.129 0.000 1.151 483 T CB 0.283 69.227 68.868 0.127 0.000 0.946 483 T HN 0.366 nan 8.240 nan 0.000 0.542 484 N N 0.608 119.460 118.700 0.254 0.000 2.307 484 N HA 0.377 5.110 4.740 -0.013 0.000 0.230 484 N C 0.470 176.177 175.510 0.327 0.000 1.297 484 N CA -0.096 53.139 53.050 0.309 0.000 0.884 484 N CB 0.370 38.977 38.487 0.200 0.000 1.115 484 N HN 0.760 nan 8.380 nan 0.000 0.436 485 G N -0.610 108.395 108.800 0.342 0.000 2.687 485 G HA2 0.609 4.562 3.960 -0.013 0.000 0.291 485 G HA3 0.609 4.562 3.960 -0.013 0.000 0.291 485 G C -1.366 173.678 174.900 0.240 0.000 1.420 485 G CA -0.741 44.542 45.100 0.305 0.000 0.796 485 G HN 0.599 nan 8.290 nan 0.000 0.485 486 I N -2.351 118.343 120.570 0.207 0.000 2.828 486 I HA 0.747 4.910 4.170 -0.013 0.000 0.302 486 I C -0.219 176.060 176.117 0.270 0.000 1.101 486 I CA -0.939 60.479 61.300 0.196 0.000 1.031 486 I CB 2.441 40.452 38.000 0.017 0.000 1.231 486 I HN 0.499 nan 8.210 nan 0.000 0.427 487 T N 4.151 118.915 114.554 0.350 0.000 2.814 487 T HA 0.346 4.689 4.350 -0.013 0.000 0.297 487 T C -1.466 173.352 174.700 0.195 0.000 0.956 487 T CA -1.534 60.695 62.100 0.215 0.000 1.123 487 T CB 0.710 69.649 68.868 0.118 0.000 0.902 487 T HN 0.632 nan 8.240 nan 0.000 0.528 488 P HA 0.075 nan 4.420 nan 0.000 0.237 488 P C 1.061 178.327 177.300 -0.057 0.000 1.178 488 P CA 0.257 63.395 63.100 0.063 0.000 0.766 488 P CB 0.333 32.059 31.700 0.043 0.000 0.876 489 R N 0.456 120.877 120.500 -0.132 0.000 2.060 489 R HA 0.014 4.346 4.340 -0.013 0.000 0.225 489 R C 2.659 178.836 176.300 -0.206 0.000 1.155 489 R CA 1.530 57.511 56.100 -0.198 0.000 0.930 489 R CB -1.222 28.965 30.300 -0.188 0.000 0.829 489 R HN 0.033 nan 8.270 nan 0.000 0.433 490 R N -0.778 119.536 120.500 -0.310 0.000 2.081 490 R HA -0.134 4.198 4.340 -0.013 0.000 0.235 490 R C 1.041 176.985 176.300 -0.595 0.000 1.131 490 R CA 1.759 57.508 56.100 -0.586 0.000 0.960 490 R CB -0.173 29.548 30.300 -0.964 0.000 0.856 490 R HN 0.310 nan 8.270 nan 0.000 0.436 491 W N -0.507 120.750 121.300 -0.073 0.000 3.388 491 W HA 0.173 4.825 4.660 -0.013 0.000 0.324 491 W C 0.913 177.401 176.519 -0.052 0.000 1.250 491 W CA -0.728 56.572 57.345 -0.074 0.000 1.809 491 W CB 0.473 29.892 29.460 -0.068 0.000 1.083 491 W HN 0.221 nan 8.180 nan 0.000 0.685 492 L N -2.294 118.982 121.223 0.088 0.000 2.511 492 L HA 0.189 4.521 4.340 -0.013 0.000 0.173 492 L C 1.739 178.624 176.870 0.025 0.000 1.160 492 L CA 0.785 55.673 54.840 0.080 0.000 0.964 492 L CB -0.830 41.304 42.059 0.124 0.000 1.892 492 L HN -0.247 nan 8.230 nan 0.000 0.497 493 V N 1.066 120.972 119.914 -0.015 0.000 2.295 493 V HA -0.268 3.845 4.120 -0.013 0.000 0.246 493 V C 2.440 178.506 176.094 -0.047 0.000 1.049 493 V CA 2.479 64.761 62.300 -0.029 0.000 1.024 493 V CB -0.663 31.114 31.823 -0.076 0.000 0.648 493 V HN 0.506 nan 8.190 nan 0.000 0.447 494 L N 0.494 121.658 121.223 -0.098 0.000 2.005 494 L HA -0.189 4.143 4.340 -0.013 0.000 0.207 494 L C 2.526 179.331 176.870 -0.109 0.000 1.072 494 L CA 2.440 57.206 54.840 -0.123 0.000 0.744 494 L CB -0.297 41.637 42.059 -0.208 0.000 0.895 494 L HN 0.655 nan 8.230 nan 0.000 0.433 495 C N -1.701 117.529 119.300 -0.118 0.000 2.495 495 C HA 0.179 4.631 4.460 -0.013 0.000 0.275 495 C C 1.219 176.192 174.990 -0.029 0.000 1.392 495 C CA -0.224 58.744 59.018 -0.083 0.000 1.766 495 C CB -1.038 26.655 27.740 -0.079 0.000 1.933 495 C HN 0.604 nan 8.230 nan 0.000 0.519 496 N N 1.157 119.852 118.700 -0.009 0.000 2.733 496 N HA 0.297 5.029 4.740 -0.013 0.000 0.271 496 N C -1.823 173.699 175.510 0.020 0.000 1.720 496 N CA -1.639 51.418 53.050 0.012 0.000 0.803 496 N CB 0.802 39.306 38.487 0.027 0.000 1.208 496 N HN 0.238 nan 8.380 nan 0.000 0.498 497 P HA -0.023 nan 4.420 nan 0.000 0.217 497 P C 1.417 178.733 177.300 0.028 0.000 1.150 497 P CA 0.871 63.982 63.100 0.018 0.000 0.832 497 P CB 0.233 31.936 31.700 0.006 0.000 0.787 498 G N 0.722 109.534 108.800 0.020 0.000 2.446 498 G HA2 -0.259 3.693 3.960 -0.013 0.000 0.217 498 G HA3 -0.259 3.693 3.960 -0.013 0.000 0.217 498 G C 1.531 176.443 174.900 0.021 0.000 1.168 498 G CA 0.728 45.838 45.100 0.016 0.000 0.771 498 G HN 0.238 nan 8.290 nan 0.000 0.551 499 L N 1.298 122.535 121.223 0.023 0.000 2.056 499 L HA 0.225 4.558 4.340 -0.013 0.000 0.207 499 L C 3.092 180.000 176.870 0.063 0.000 1.078 499 L CA 2.033 56.889 54.840 0.026 0.000 0.749 499 L CB -0.786 41.288 42.059 0.024 0.000 0.901 499 L HN 0.239 nan 8.230 nan 0.000 0.433 500 A N -0.806 122.071 122.820 0.095 0.000 1.940 500 A HA -0.264 4.048 4.320 -0.013 0.000 0.219 500 A C 2.256 179.944 177.584 0.174 0.000 1.176 500 A CA 1.858 54.004 52.037 0.183 0.000 0.631 500 A CB -0.670 18.426 19.000 0.160 0.000 0.814 500 A HN 0.542 nan 8.150 nan 0.000 0.446 501 E N 0.573 120.834 120.200 0.102 0.000 2.047 501 E HA -0.148 4.195 4.350 -0.013 0.000 0.191 501 E C 1.819 178.464 176.600 0.074 0.000 0.987 501 E CA 1.539 57.988 56.400 0.082 0.000 0.799 501 E CB -0.500 29.229 29.700 0.049 0.000 0.752 501 E HN 0.749 nan 8.360 nan 0.000 0.449 502 I N -1.832 118.780 120.570 0.069 0.000 2.493 502 I HA -0.098 4.064 4.170 -0.013 0.000 0.254 502 I C 2.091 178.286 176.117 0.130 0.000 1.160 502 I CA 0.992 62.347 61.300 0.093 0.000 1.445 502 I CB -0.301 37.745 38.000 0.076 0.000 1.086 502 I HN 0.013 nan 8.210 nan 0.000 0.433 503 I N 1.969 122.591 120.570 0.086 0.000 2.233 503 I HA -0.176 3.986 4.170 -0.013 0.000 0.243 503 I C 2.991 179.059 176.117 -0.082 0.000 1.093 503 I CA 1.321 62.585 61.300 -0.060 0.000 1.380 503 I CB -0.482 37.362 38.000 -0.260 0.000 1.067 503 I HN 0.295 nan 8.210 nan 0.000 0.413 504 A N 0.387 123.261 122.820 0.091 0.000 1.972 504 A HA -0.222 4.091 4.320 -0.013 0.000 0.219 504 A C 2.162 179.778 177.584 0.052 0.000 1.169 504 A CA 1.578 53.716 52.037 0.168 0.000 0.635 504 A CB -0.584 18.543 19.000 0.211 0.000 0.810 504 A HN 0.445 nan 8.150 nan 0.000 0.446 505 E N -0.589 119.621 120.200 0.017 0.000 2.118 505 E HA -0.202 4.140 4.350 -0.013 0.000 0.195 505 E C 2.252 178.814 176.600 -0.062 0.000 0.992 505 E CA 1.215 57.610 56.400 -0.008 0.000 0.804 505 E CB -0.073 29.628 29.700 0.002 0.000 0.741 505 E HN 0.509 nan 8.360 nan 0.000 0.458 506 R N 0.167 120.567 120.500 -0.167 0.000 2.105 506 R HA 0.068 4.401 4.340 -0.013 0.000 0.214 506 R C 2.344 178.552 176.300 -0.154 0.000 1.091 506 R CA 0.898 56.824 56.100 -0.289 0.000 1.007 506 R CB -0.221 29.567 30.300 -0.853 0.000 0.912 506 R HN 0.324 nan 8.270 nan 0.000 0.450 507 I N -2.894 117.600 120.570 -0.126 0.000 4.154 507 I HA 0.428 4.590 4.170 -0.013 0.000 0.334 507 I C 0.419 176.571 176.117 0.059 0.000 1.371 507 I CA 0.079 61.360 61.300 -0.031 0.000 1.110 507 I CB 0.854 38.813 38.000 -0.068 0.000 1.085 507 I HN 0.177 nan 8.210 nan 0.000 0.398 508 G N 1.967 110.813 108.800 0.077 0.000 2.698 508 G HA2 -0.224 3.729 3.960 -0.013 0.000 0.225 508 G HA3 -0.224 3.729 3.960 -0.013 0.000 0.225 508 G C -0.038 174.982 174.900 0.201 0.000 1.345 508 G CA 0.187 45.352 45.100 0.109 0.000 0.871 508 G HN 0.428 nan 8.290 nan 0.000 0.540 509 E N -0.218 120.050 120.200 0.112 0.000 2.452 509 E HA 0.093 4.435 4.350 -0.013 0.000 0.197 509 E C 2.040 178.581 176.600 -0.099 0.000 1.022 509 E CA 0.378 56.786 56.400 0.013 0.000 0.890 509 E CB 0.215 29.920 29.700 0.007 0.000 0.918 509 E HN 0.627 nan 8.360 nan 0.000 0.496 510 E N 0.262 120.475 120.200 0.023 0.000 2.265 510 E HA -0.204 4.138 4.350 -0.013 0.000 0.196 510 E C 1.589 178.178 176.600 -0.019 0.000 0.996 510 E CA 0.963 57.370 56.400 0.013 0.000 0.832 510 E CB -0.115 29.618 29.700 0.055 0.000 0.756 510 E HN 0.487 nan 8.360 nan 0.000 0.491 511 Y N -0.928 119.374 120.300 0.004 0.000 2.497 511 Y HA -0.045 4.498 4.550 -0.011 0.000 0.292 511 Y C 1.720 177.595 175.900 -0.042 0.000 1.137 511 Y CA 0.468 58.561 58.100 -0.011 0.000 1.285 511 Y CB -0.471 37.985 38.460 -0.007 0.000 0.991 511 Y HN -0.055 nan 8.280 nan 0.000 0.556 512 I N 0.886 120.986 120.570 -0.783 0.000 2.361 512 I HA -0.223 3.940 4.170 -0.013 0.000 0.251 512 I C 1.741 177.593 176.117 -0.442 0.000 1.133 512 I CA 1.772 62.646 61.300 -0.710 0.000 1.413 512 I CB -0.322 37.168 38.000 -0.849 0.000 1.073 512 I HN 0.473 nan 8.210 nan 0.000 0.424 513 S N -2.071 113.479 115.700 -0.250 0.000 2.663 513 S HA 0.171 4.634 4.470 -0.013 0.000 0.243 513 S C 0.123 174.706 174.600 -0.029 0.000 1.009 513 S CA -0.486 57.648 58.200 -0.110 0.000 0.988 513 S CB 0.277 63.484 63.200 0.012 0.000 0.896 513 S HN 0.272 nan 8.310 nan 0.000 0.502 514 D N 0.701 121.093 120.400 -0.013 0.000 2.823 514 D HA 0.252 4.884 4.640 -0.013 0.000 0.255 514 D C 0.338 176.680 176.300 0.071 0.000 1.257 514 D CA -0.395 53.622 54.000 0.028 0.000 0.803 514 D CB 0.494 41.315 40.800 0.035 0.000 1.384 514 D HN 0.104 nan 8.370 nan 0.000 0.541 515 L N 1.324 122.589 121.223 0.069 0.000 2.265 515 L HA 0.001 4.333 4.340 -0.013 0.000 0.215 515 L C 1.412 178.335 176.870 0.088 0.000 1.117 515 L CA 1.529 56.440 54.840 0.118 0.000 0.782 515 L CB -0.067 42.054 42.059 0.103 0.000 0.914 515 L HN 0.263 nan 8.230 nan 0.000 0.441 516 D N -0.660 119.768 120.400 0.046 0.000 2.221 516 D HA -0.224 4.408 4.640 -0.013 0.000 0.204 516 D C 1.971 178.292 176.300 0.034 0.000 0.982 516 D CA 0.850 54.864 54.000 0.022 0.000 0.857 516 D CB 0.019 40.819 40.800 0.001 0.000 0.934 516 D HN 0.542 nan 8.370 nan 0.000 0.475 517 Q N -0.082 119.755 119.800 0.062 0.000 2.368 517 Q HA -0.082 4.251 4.340 -0.013 0.000 0.210 517 Q C 2.280 178.298 176.000 0.029 0.000 0.982 517 Q CA 0.323 56.163 55.803 0.063 0.000 0.884 517 Q CB -0.034 28.771 28.738 0.112 0.000 0.933 517 Q HN 0.403 nan 8.270 nan 0.000 0.460 518 L N 0.152 121.385 121.223 0.016 0.000 2.261 518 L HA -0.197 4.135 4.340 -0.013 0.000 0.216 518 L C 2.306 179.168 176.870 -0.014 0.000 1.114 518 L CA 0.850 55.662 54.840 -0.045 0.000 0.777 518 L CB -0.377 41.664 42.059 -0.030 0.000 0.910 518 L HN 0.216 nan 8.230 nan 0.000 0.440 519 R N 0.412 120.916 120.500 0.006 0.000 2.139 519 R HA -0.202 4.130 4.340 -0.013 0.000 0.243 519 R C 2.116 178.423 176.300 0.011 0.000 1.145 519 R CA 1.242 57.348 56.100 0.010 0.000 0.976 519 R CB -0.287 30.017 30.300 0.006 0.000 0.866 519 R HN 0.407 nan 8.270 nan 0.000 0.449 520 K N 0.624 121.030 120.400 0.010 0.000 2.286 520 K HA -0.132 4.181 4.320 -0.013 0.000 0.203 520 K C 1.908 178.551 176.600 0.071 0.000 1.045 520 K CA 0.950 57.254 56.287 0.027 0.000 0.935 520 K CB -0.142 32.378 32.500 0.033 0.000 0.737 520 K HN 0.234 nan 8.250 nan 0.000 0.460 521 L N 0.451 121.694 121.223 0.033 0.000 2.376 521 L HA -0.144 4.189 4.340 -0.013 0.000 0.219 521 L C 1.877 178.815 176.870 0.113 0.000 1.133 521 L CA 0.067 54.938 54.840 0.053 0.000 0.816 521 L CB -0.272 41.773 42.059 -0.024 0.000 0.933 521 L HN 0.120 nan 8.230 nan 0.000 0.449 522 L N 0.134 121.394 121.223 0.061 0.000 2.127 522 L HA -0.196 4.137 4.340 -0.013 0.000 0.211 522 L C 2.727 179.596 176.870 -0.003 0.000 1.089 522 L CA 2.002 56.865 54.840 0.039 0.000 0.757 522 L CB -1.040 41.028 42.059 0.014 0.000 0.899 522 L HN 0.383 nan 8.230 nan 0.000 0.434 523 S N -2.717 112.941 115.700 -0.071 0.000 2.607 523 S HA -0.088 4.374 4.470 -0.013 0.000 0.224 523 S C 1.297 175.651 174.600 -0.409 0.000 0.969 523 S CA 0.251 58.310 58.200 -0.235 0.000 0.927 523 S CB -0.540 62.477 63.200 -0.306 0.000 0.772 523 S HN 0.467 nan 8.310 nan 0.000 0.533 524 Y N -0.227 120.015 120.300 -0.095 0.000 2.507 524 Y HA 0.435 4.984 4.550 -0.003 0.000 0.254 524 Y C 1.941 177.891 175.900 0.083 0.000 1.171 524 Y CA -0.521 57.527 58.100 -0.086 0.000 1.238 524 Y CB 0.184 38.404 38.460 -0.401 0.000 1.148 524 Y HN 0.254 nan 8.280 nan 0.000 0.525 525 V N 0.338 120.350 119.914 0.163 0.000 2.759 525 V HA -0.198 3.914 4.120 -0.013 0.000 0.256 525 V C 0.968 177.132 176.094 0.118 0.000 1.080 525 V CA 2.119 64.513 62.300 0.156 0.000 1.101 525 V CB -0.012 31.865 31.823 0.089 0.000 0.698 525 V HN 0.338 nan 8.190 nan 0.000 0.477 526 D N -0.604 119.845 120.400 0.080 0.000 2.363 526 D HA 0.103 4.736 4.640 -0.013 0.000 0.214 526 D C 0.469 176.817 176.300 0.080 0.000 1.093 526 D CA 0.056 54.092 54.000 0.060 0.000 0.837 526 D CB 0.073 40.886 40.800 0.021 0.000 0.948 526 D HN 0.455 nan 8.370 nan 0.000 0.507 527 D N 1.377 121.862 120.400 0.141 0.000 2.336 527 D HA -0.019 4.613 4.640 -0.013 0.000 0.249 527 D C 1.065 177.474 176.300 0.181 0.000 1.213 527 D CA -0.025 54.080 54.000 0.176 0.000 0.870 527 D CB 1.587 42.568 40.800 0.300 0.000 1.076 527 D HN -0.182 nan 8.370 nan 0.000 0.483 528 E N 3.145 123.416 120.200 0.117 0.000 2.110 528 E HA -0.143 4.200 4.350 -0.013 0.000 0.193 528 E C 1.790 178.446 176.600 0.092 0.000 0.988 528 E CA 1.374 57.826 56.400 0.087 0.000 0.804 528 E CB 0.007 29.741 29.700 0.056 0.000 0.745 528 E HN 0.605 nan 8.360 nan 0.000 0.458 529 A N -0.242 122.649 122.820 0.118 0.000 1.877 529 A HA -0.156 4.156 4.320 -0.013 0.000 0.216 529 A C 2.216 179.888 177.584 0.147 0.000 1.186 529 A CA 1.375 53.480 52.037 0.113 0.000 0.620 529 A CB -0.967 18.104 19.000 0.118 0.000 0.822 529 A HN 0.443 nan 8.150 nan 0.000 0.443 530 F N 0.391 120.363 119.950 0.037 0.000 2.102 530 F HA -0.148 4.372 4.527 -0.012 0.000 0.298 530 F C 2.059 177.868 175.800 0.016 0.000 1.105 530 F CA 1.619 59.625 58.000 0.011 0.000 1.239 530 F CB -0.129 38.887 39.000 0.028 0.000 0.991 530 F HN 0.166 nan 8.300 nan 0.000 0.474 531 I N 0.305 120.897 120.570 0.037 0.000 2.151 531 I HA -0.390 3.773 4.170 -0.013 0.000 0.243 531 I C 2.600 178.658 176.117 -0.097 0.000 1.080 531 I CA 1.872 63.140 61.300 -0.053 0.000 1.339 531 I CB -0.550 37.469 38.000 0.032 0.000 1.039 531 I HN 0.121 nan 8.210 nan 0.000 0.409 532 R N 0.856 121.327 120.500 -0.048 0.000 2.081 532 R HA -0.198 4.134 4.340 -0.013 0.000 0.235 532 R C 1.887 178.136 176.300 -0.086 0.000 1.131 532 R CA 1.999 58.070 56.100 -0.049 0.000 0.960 532 R CB -0.157 30.134 30.300 -0.014 0.000 0.856 532 R HN 0.292 nan 8.270 nan 0.000 0.436 533 D N -0.256 120.074 120.400 -0.118 0.000 2.097 533 D HA -0.114 4.519 4.640 -0.013 0.000 0.197 533 D C 1.973 178.145 176.300 -0.214 0.000 0.984 533 D CA 1.282 55.201 54.000 -0.136 0.000 0.826 533 D CB -0.208 40.532 40.800 -0.100 0.000 0.973 533 D HN 0.084 nan 8.370 nan 0.000 0.460 534 V N 1.523 121.205 119.914 -0.388 0.000 2.287 534 V HA -0.269 3.843 4.120 -0.013 0.000 0.248 534 V C 2.522 178.519 176.094 -0.161 0.000 1.053 534 V CA 1.996 64.085 62.300 -0.352 0.000 1.027 534 V CB -0.849 30.677 31.823 -0.496 0.000 0.646 534 V HN 0.195 nan 8.190 nan 0.000 0.447 535 A N -0.515 122.231 122.820 -0.123 0.000 1.930 535 A HA -0.237 4.076 4.320 -0.013 0.000 0.217 535 A C 2.363 179.910 177.584 -0.062 0.000 1.175 535 A CA 2.028 54.027 52.037 -0.063 0.000 0.627 535 A CB -0.455 18.513 19.000 -0.054 0.000 0.815 535 A HN 0.539 nan 8.150 nan 0.000 0.443 536 K N -0.154 120.205 120.400 -0.069 0.000 2.057 536 K HA -0.076 4.237 4.320 -0.013 0.000 0.206 536 K C 1.815 178.389 176.600 -0.043 0.000 1.050 536 K CA 1.542 57.798 56.287 -0.051 0.000 0.935 536 K CB -0.264 32.209 32.500 -0.045 0.000 0.715 536 K HN 0.215 nan 8.250 nan 0.000 0.439 537 V N 1.863 121.746 119.914 -0.052 0.000 2.332 537 V HA -0.251 3.861 4.120 -0.013 0.000 0.248 537 V C 2.420 178.500 176.094 -0.023 0.000 1.055 537 V CA 2.049 64.328 62.300 -0.035 0.000 1.038 537 V CB -0.481 31.316 31.823 -0.043 0.000 0.651 537 V HN 0.365 nan 8.190 nan 0.000 0.450 538 K N 0.390 120.774 120.400 -0.027 0.000 2.032 538 K HA -0.241 4.071 4.320 -0.013 0.000 0.209 538 K C 2.179 178.753 176.600 -0.044 0.000 1.048 538 K CA 1.886 58.163 56.287 -0.017 0.000 0.927 538 K CB -0.547 31.958 32.500 0.009 0.000 0.712 538 K HN 0.381 nan 8.250 nan 0.000 0.441 539 Q N 1.007 120.775 119.800 -0.054 0.000 2.096 539 Q HA -0.144 4.188 4.340 -0.013 0.000 0.204 539 Q C 1.726 177.705 176.000 -0.036 0.000 0.982 539 Q CA 2.113 57.876 55.803 -0.068 0.000 0.850 539 Q CB -0.136 28.567 28.738 -0.059 0.000 0.901 539 Q HN 0.513 nan 8.270 nan 0.000 0.422 540 E N -0.471 119.720 120.200 -0.015 0.000 2.085 540 E HA -0.188 4.155 4.350 -0.013 0.000 0.194 540 E C 1.797 178.419 176.600 0.036 0.000 0.994 540 E CA 1.095 57.502 56.400 0.011 0.000 0.801 540 E CB -0.141 29.564 29.700 0.008 0.000 0.743 540 E HN 0.412 nan 8.360 nan 0.000 0.453 541 N N 1.005 119.723 118.700 0.030 0.000 2.120 541 N HA -0.139 4.594 4.740 -0.013 0.000 0.188 541 N C 1.553 177.136 175.510 0.122 0.000 1.024 541 N CA 1.092 54.181 53.050 0.064 0.000 0.852 541 N CB -0.124 38.385 38.487 0.038 0.000 1.003 541 N HN 0.145 nan 8.380 nan 0.000 0.424 542 K N 0.589 121.016 120.400 0.045 0.000 2.057 542 K HA 0.009 4.321 4.320 -0.013 0.000 0.206 542 K C 2.132 178.841 176.600 0.182 0.000 1.050 542 K CA 0.650 56.960 56.287 0.038 0.000 0.935 542 K CB -0.166 32.082 32.500 -0.421 0.000 0.715 542 K HN 0.110 nan 8.250 nan 0.000 0.439 543 L N 1.215 122.497 121.223 0.099 0.000 2.017 543 L HA -0.206 4.127 4.340 -0.013 0.000 0.208 543 L C 2.638 179.604 176.870 0.161 0.000 1.073 543 L CA 1.351 56.261 54.840 0.118 0.000 0.745 543 L CB -0.361 41.738 42.059 0.066 0.000 0.894 543 L HN 0.171 nan 8.230 nan 0.000 0.432 544 K N -0.314 120.183 120.400 0.163 0.000 2.063 544 K HA -0.248 4.065 4.320 -0.013 0.000 0.208 544 K C 2.178 178.939 176.600 0.267 0.000 1.048 544 K CA 1.715 58.110 56.287 0.180 0.000 0.928 544 K CB -0.162 32.428 32.500 0.150 0.000 0.713 544 K HN 0.089 nan 8.250 nan 0.000 0.442 545 F N 0.990 121.048 119.950 0.180 0.000 2.206 545 F HA -0.006 4.513 4.527 -0.012 0.000 0.298 545 F C 1.997 177.964 175.800 0.279 0.000 1.090 545 F CA 1.087 59.228 58.000 0.235 0.000 1.323 545 F CB -0.369 38.776 39.000 0.242 0.000 1.028 545 F HN 0.067 nan 8.300 nan 0.000 0.492 546 A N 0.152 123.142 122.820 0.284 0.000 1.978 546 A HA -0.077 4.236 4.320 -0.013 0.000 0.220 546 A C 2.370 179.997 177.584 0.071 0.000 1.170 546 A CA 1.748 53.885 52.037 0.167 0.000 0.636 546 A CB -1.402 17.756 19.000 0.263 0.000 0.810 546 A HN 0.443 nan 8.150 nan 0.000 0.448 547 A N -1.711 121.170 122.820 0.102 0.000 1.929 547 A HA -0.011 4.301 4.320 -0.013 0.000 0.216 547 A C 2.096 179.712 177.584 0.053 0.000 1.176 547 A CA 1.371 53.455 52.037 0.079 0.000 0.628 547 A CB -0.755 18.303 19.000 0.097 0.000 0.816 547 A HN 0.712 nan 8.150 nan 0.000 0.444 548 Y N 0.539 120.798 120.300 -0.067 0.000 2.165 548 Y HA -0.191 4.352 4.550 -0.012 0.000 0.286 548 Y C 1.932 177.758 175.900 -0.123 0.000 1.155 548 Y CA 1.882 59.926 58.100 -0.092 0.000 1.164 548 Y CB -0.211 38.190 38.460 -0.099 0.000 0.978 548 Y HN 0.221 nan 8.280 nan 0.000 0.513 549 L N 0.057 121.150 121.223 -0.217 0.000 1.994 549 L HA -0.223 4.109 4.340 -0.013 0.000 0.208 549 L C 2.449 179.243 176.870 -0.126 0.000 1.071 549 L CA 1.872 56.587 54.840 -0.208 0.000 0.745 549 L CB -0.554 41.351 42.059 -0.257 0.000 0.892 549 L HN 0.292 nan 8.230 nan 0.000 0.431 550 E N -0.315 119.839 120.200 -0.076 0.000 2.077 550 E HA -0.223 4.119 4.350 -0.013 0.000 0.193 550 E C 2.344 178.908 176.600 -0.060 0.000 0.989 550 E CA 1.033 57.422 56.400 -0.018 0.000 0.800 550 E CB -0.031 29.725 29.700 0.095 0.000 0.746 550 E HN 0.421 nan 8.360 nan 0.000 0.452 551 R N 0.666 121.102 120.500 -0.106 0.000 2.061 551 R HA -0.122 4.211 4.340 -0.013 0.000 0.230 551 R C 2.098 178.255 176.300 -0.238 0.000 1.140 551 R CA 1.264 57.283 56.100 -0.134 0.000 0.940 551 R CB -0.099 30.134 30.300 -0.111 0.000 0.839 551 R HN 0.003 nan 8.270 nan 0.000 0.429 552 E N -1.327 118.617 120.200 -0.426 0.000 2.435 552 E HA -0.046 4.297 4.350 -0.013 0.000 0.195 552 E C 0.184 176.282 176.600 -0.837 0.000 1.029 552 E CA 0.760 56.760 56.400 -0.666 0.000 0.865 552 E CB 0.439 29.552 29.700 -0.979 0.000 0.833 552 E HN 0.347 nan 8.360 nan 0.000 0.510 553 Y N -0.975 119.188 120.300 -0.229 0.000 2.666 553 Y HA 0.215 4.757 4.550 -0.013 0.000 0.260 553 Y C 0.098 175.907 175.900 -0.152 0.000 1.089 553 Y CA -0.526 57.477 58.100 -0.162 0.000 1.246 553 Y CB 0.928 39.292 38.460 -0.160 0.000 1.353 553 Y HN -0.252 nan 8.280 nan 0.000 0.558 554 K N -0.076 120.288 120.400 -0.060 0.000 3.130 554 K HA -0.148 4.164 4.320 -0.013 0.000 0.282 554 K C -0.257 176.127 176.600 -0.360 0.000 1.145 554 K CA 0.915 57.129 56.287 -0.123 0.000 0.831 554 K CB -2.563 29.902 32.500 -0.058 0.000 1.226 554 K HN 0.273 nan 8.250 nan 0.000 0.478 555 V N -1.617 118.120 119.914 -0.295 0.000 2.472 555 V HA 0.523 4.635 4.120 -0.013 0.000 0.290 555 V C 0.294 176.176 176.094 -0.352 0.000 1.037 555 V CA -0.785 61.289 62.300 -0.376 0.000 0.908 555 V CB 1.299 33.017 31.823 -0.174 0.000 0.985 555 V HN 0.272 nan 8.190 nan 0.000 0.454 556 H N 5.319 124.377 119.070 -0.020 0.000 2.476 556 H HA 0.784 5.332 4.556 -0.013 0.000 0.328 556 H C -0.029 175.288 175.328 -0.019 0.000 1.073 556 H CA -0.491 55.549 56.048 -0.013 0.000 1.229 556 H CB 1.667 31.428 29.762 -0.002 0.000 1.432 556 H HN 0.932 nan 8.280 nan 0.000 0.477 557 I N -0.487 120.148 120.570 0.108 0.000 2.785 557 I HA 0.465 4.627 4.170 -0.013 0.000 0.302 557 I C -0.500 175.692 176.117 0.125 0.000 1.069 557 I CA -1.359 59.985 61.300 0.073 0.000 1.045 557 I CB 2.188 40.191 38.000 0.004 0.000 1.236 557 I HN 0.358 nan 8.210 nan 0.000 0.429 558 N N 4.575 123.352 118.700 0.128 0.000 2.415 558 N HA 0.383 5.115 4.740 -0.013 0.000 0.246 558 N C -2.021 173.641 175.510 0.253 0.000 1.078 558 N CA -2.318 50.821 53.050 0.147 0.000 0.942 558 N CB 0.965 39.511 38.487 0.098 0.000 1.140 558 N HN 0.385 nan 8.380 nan 0.000 0.501 559 P HA 0.068 nan 4.420 nan 0.000 0.237 559 P C -0.121 177.183 177.300 0.007 0.000 1.178 559 P CA 0.857 64.058 63.100 0.169 0.000 0.766 559 P CB 0.248 32.014 31.700 0.110 0.000 0.876 560 N N -1.119 117.615 118.700 0.056 0.000 2.353 560 N HA -0.007 4.725 4.740 -0.013 0.000 0.185 560 N C 0.406 175.960 175.510 0.073 0.000 1.098 560 N CA -0.024 53.045 53.050 0.032 0.000 0.872 560 N CB -0.040 38.471 38.487 0.039 0.000 0.970 560 N HN 0.136 nan 8.380 nan 0.000 0.467 561 S N 0.147 115.911 115.700 0.107 0.000 2.614 561 S HA 0.161 4.623 4.470 -0.013 0.000 0.265 561 S C 0.104 174.705 174.600 0.003 0.000 1.303 561 S CA -0.896 57.353 58.200 0.082 0.000 1.000 561 S CB 0.943 64.214 63.200 0.118 0.000 0.935 561 S HN 0.192 nan 8.310 nan 0.000 0.551 562 L N 1.961 123.017 121.223 -0.278 0.000 2.418 562 L HA 0.358 4.691 4.340 -0.013 0.000 0.274 562 L C -0.891 175.969 176.870 -0.018 0.000 1.135 562 L CA -0.535 53.946 54.840 -0.599 0.000 0.870 562 L CB -0.205 41.208 42.059 -1.077 0.000 1.154 562 L HN 0.699 nan 8.230 nan 0.000 0.462 563 F N 4.284 124.104 119.950 -0.216 0.000 2.405 563 F HA 0.102 4.622 4.527 -0.011 0.000 0.358 563 F C 0.413 176.147 175.800 -0.111 0.000 1.151 563 F CA -0.764 57.177 58.000 -0.099 0.000 1.161 563 F CB 0.576 39.568 39.000 -0.013 0.000 1.245 563 F HN 0.516 nan 8.300 nan 0.000 0.545 564 D N 4.974 125.370 120.400 -0.006 0.000 2.427 564 D HA 0.242 4.874 4.640 -0.013 0.000 0.226 564 D C -1.170 175.067 176.300 -0.106 0.000 1.076 564 D CA -0.129 53.823 54.000 -0.079 0.000 0.849 564 D CB 1.520 42.259 40.800 -0.102 0.000 1.052 564 D HN 0.272 nan 8.370 nan 0.000 0.515 565 V N 3.516 123.348 119.914 -0.137 0.000 2.540 565 V HA 0.539 4.652 4.120 -0.013 0.000 0.302 565 V C -1.402 174.537 176.094 -0.258 0.000 1.035 565 V CA -0.619 61.585 62.300 -0.161 0.000 0.873 565 V CB 1.816 33.604 31.823 -0.058 0.000 0.992 565 V HN 0.545 nan 8.190 nan 0.000 0.428 566 Q N 4.888 124.557 119.800 -0.219 0.000 2.394 566 Q HA 0.659 4.992 4.340 -0.013 0.000 0.261 566 Q C -1.417 174.420 176.000 -0.272 0.000 1.023 566 Q CA -0.615 55.048 55.803 -0.234 0.000 0.720 566 Q CB 1.810 30.439 28.738 -0.182 0.000 1.241 566 Q HN 1.051 nan 8.270 nan 0.000 0.483 567 V N 1.795 121.533 119.914 -0.294 0.000 2.487 567 V HA 0.877 4.989 4.120 -0.013 0.000 0.298 567 V C -0.934 174.874 176.094 -0.476 0.000 1.028 567 V CA -0.576 61.359 62.300 -0.607 0.000 0.860 567 V CB 1.376 32.581 31.823 -1.030 0.000 0.991 567 V HN 0.818 nan 8.190 nan 0.000 0.427 568 K N 2.493 122.660 120.400 -0.389 0.000 3.076 568 K HA 0.334 4.646 4.320 -0.013 0.000 0.314 568 K C -1.344 175.273 176.600 0.028 0.000 1.113 568 K CA -1.103 55.155 56.287 -0.049 0.000 0.860 568 K CB 0.831 33.299 32.500 -0.054 0.000 1.435 568 K HN 0.527 nan 8.250 nan 0.000 0.374 569 R N 0.904 121.492 120.500 0.147 0.000 2.698 569 R HA 0.163 4.495 4.340 -0.013 0.000 0.266 569 R C 0.419 176.771 176.300 0.087 0.000 1.026 569 R CA -0.337 55.864 56.100 0.168 0.000 1.102 569 R CB -0.115 30.363 30.300 0.297 0.000 0.978 569 R HN 0.455 nan 8.270 nan 0.000 0.436 570 I N 4.215 124.762 120.570 -0.039 0.000 2.436 570 I HA 0.097 4.260 4.170 -0.013 0.000 0.289 570 I C 0.255 176.161 176.117 -0.352 0.000 1.083 570 I CA 0.279 61.491 61.300 -0.146 0.000 1.372 570 I CB -0.544 37.373 38.000 -0.138 0.000 1.408 570 I HN 0.419 nan 8.210 nan 0.000 0.516 571 H N 3.015 121.996 119.070 -0.148 0.000 2.930 571 H HA 0.251 4.800 4.556 -0.013 0.000 0.371 571 H C 0.647 175.862 175.328 -0.189 0.000 1.169 571 H CA -0.569 55.438 56.048 -0.069 0.000 1.157 571 H CB 1.757 31.406 29.762 -0.188 0.000 1.789 571 H HN 0.466 nan 8.280 nan 0.000 0.547 572 E N 0.984 121.241 120.200 0.095 0.000 2.097 572 E HA -0.280 4.062 4.350 -0.013 0.000 0.196 572 E C 1.263 177.608 176.600 -0.426 0.000 1.000 572 E CA 1.825 58.208 56.400 -0.029 0.000 0.804 572 E CB -0.061 29.806 29.700 0.277 0.000 0.740 572 E HN 0.684 nan 8.360 nan 0.000 0.454 573 Y N 0.743 120.518 120.300 -0.874 0.000 2.352 573 Y HA -0.054 4.488 4.550 -0.013 0.000 0.292 573 Y C 1.543 177.187 175.900 -0.427 0.000 1.136 573 Y CA 0.925 58.343 58.100 -1.137 0.000 1.227 573 Y CB -0.127 37.709 38.460 -1.039 0.000 0.991 573 Y HN -0.197 nan 8.280 nan 0.000 0.545 574 K N 0.571 120.497 120.400 -0.790 0.000 2.366 574 K HA 0.081 4.394 4.320 -0.013 0.000 0.198 574 K C 0.202 176.635 176.600 -0.278 0.000 1.044 574 K CA 0.538 56.494 56.287 -0.552 0.000 0.973 574 K CB 0.000 32.172 32.500 -0.548 0.000 0.767 574 K HN 0.237 nan 8.250 nan 0.000 0.475 575 R N 0.237 120.600 120.500 -0.228 0.000 3.423 575 R HA -0.226 4.106 4.340 -0.013 0.000 0.271 575 R C 0.328 176.552 176.300 -0.127 0.000 1.093 575 R CA 0.246 56.264 56.100 -0.136 0.000 0.730 575 R CB -1.995 28.242 30.300 -0.105 0.000 1.190 575 R HN 0.285 nan 8.270 nan 0.000 0.437 576 Q N 0.390 120.113 119.800 -0.128 0.000 2.217 576 Q HA -0.115 4.217 4.340 -0.013 0.000 0.209 576 Q C 2.044 177.998 176.000 -0.076 0.000 0.988 576 Q CA 1.727 57.469 55.803 -0.101 0.000 0.878 576 Q CB -0.055 28.626 28.738 -0.095 0.000 0.909 576 Q HN 0.583 nan 8.270 nan 0.000 0.424 577 L N -0.645 120.537 121.223 -0.069 0.000 2.083 577 L HA -0.196 4.136 4.340 -0.013 0.000 0.209 577 L C 2.061 178.935 176.870 0.007 0.000 1.083 577 L CA 0.624 55.439 54.840 -0.041 0.000 0.752 577 L CB -0.367 41.680 42.059 -0.020 0.000 0.899 577 L HN 0.311 nan 8.230 nan 0.000 0.433 578 L N 0.078 121.299 121.223 -0.005 0.000 2.046 578 L HA -0.256 4.077 4.340 -0.013 0.000 0.208 578 L C 2.060 178.987 176.870 0.096 0.000 1.077 578 L CA 1.960 56.809 54.840 0.015 0.000 0.747 578 L CB -0.835 41.127 42.059 -0.161 0.000 0.896 578 L HN 0.292 nan 8.230 nan 0.000 0.432 579 N N -1.605 117.115 118.700 0.033 0.000 2.069 579 N HA -0.250 4.483 4.740 -0.013 0.000 0.191 579 N C 1.952 177.545 175.510 0.138 0.000 1.031 579 N CA 1.729 54.876 53.050 0.162 0.000 0.852 579 N CB -0.156 38.355 38.487 0.040 0.000 1.018 579 N HN 0.504 nan 8.380 nan 0.000 0.423 580 C N 0.595 119.912 119.300 0.029 0.000 2.401 580 C HA -0.099 4.354 4.460 -0.013 0.000 0.276 580 C C 2.600 177.584 174.990 -0.010 0.000 1.233 580 C CA 0.422 59.412 59.018 -0.048 0.000 1.753 580 C CB -1.284 26.375 27.740 -0.135 0.000 2.029 580 C HN 0.509 nan 8.230 nan 0.000 0.478 581 L N -0.471 120.810 121.223 0.096 0.000 2.093 581 L HA -0.179 4.154 4.340 -0.013 0.000 0.208 581 L C 2.761 179.788 176.870 0.261 0.000 1.085 581 L CA 1.712 56.656 54.840 0.173 0.000 0.755 581 L CB -1.038 41.190 42.059 0.282 0.000 0.904 581 L HN 0.591 nan 8.230 nan 0.000 0.435 582 H N -0.032 119.150 119.070 0.187 0.000 2.321 582 H HA -0.137 4.412 4.556 -0.013 0.000 0.300 582 H C 2.243 177.565 175.328 -0.010 0.000 1.087 582 H CA 1.882 57.955 56.048 0.042 0.000 1.319 582 H CB 0.322 30.034 29.762 -0.084 0.000 1.379 582 H HN 0.081 nan 8.280 nan 0.000 0.501 583 V N 1.669 121.504 119.914 -0.131 0.000 2.287 583 V HA -0.293 3.820 4.120 -0.013 0.000 0.248 583 V C 2.847 178.877 176.094 -0.108 0.000 1.053 583 V CA 2.028 64.217 62.300 -0.185 0.000 1.027 583 V CB -0.533 31.225 31.823 -0.107 0.000 0.646 583 V HN 0.400 nan 8.190 nan 0.000 0.447 584 I N -0.260 120.284 120.570 -0.044 0.000 2.286 584 I HA -0.220 3.942 4.170 -0.013 0.000 0.248 584 I C 2.502 178.678 176.117 0.098 0.000 1.115 584 I CA 1.709 63.054 61.300 0.075 0.000 1.392 584 I CB -0.776 37.241 38.000 0.029 0.000 1.065 584 I HN 0.330 nan 8.210 nan 0.000 0.418 585 T N 1.353 115.923 114.554 0.026 0.000 2.684 585 T HA -0.169 4.173 4.350 -0.013 0.000 0.267 585 T C 1.877 176.534 174.700 -0.071 0.000 1.036 585 T CA 1.319 63.425 62.100 0.011 0.000 1.148 585 T CB -0.263 68.641 68.868 0.060 0.000 0.863 585 T HN 0.082 nan 8.240 nan 0.000 0.436 586 L N -0.005 121.108 121.223 -0.183 0.000 2.046 586 L HA 0.010 4.342 4.340 -0.013 0.000 0.208 586 L C 2.093 178.926 176.870 -0.063 0.000 1.077 586 L CA 1.513 56.241 54.840 -0.187 0.000 0.747 586 L CB -1.120 40.752 42.059 -0.312 0.000 0.896 586 L HN 0.367 nan 8.230 nan 0.000 0.432 587 Y N 0.360 120.599 120.300 -0.102 0.000 2.145 587 Y HA -0.297 4.245 4.550 -0.013 0.000 0.286 587 Y C 2.426 178.309 175.900 -0.029 0.000 1.145 587 Y CA 1.858 59.937 58.100 -0.034 0.000 1.148 587 Y CB -0.087 38.400 38.460 0.046 0.000 0.981 587 Y HN 0.280 nan 8.280 nan 0.000 0.507 588 N N 0.471 119.118 118.700 -0.089 0.000 2.166 588 N HA -0.146 4.587 4.740 -0.013 0.000 0.186 588 N C 1.820 177.215 175.510 -0.191 0.000 1.019 588 N CA 1.549 54.484 53.050 -0.192 0.000 0.856 588 N CB -0.381 38.060 38.487 -0.076 0.000 0.993 588 N HN 0.448 nan 8.380 nan 0.000 0.426 589 R N 0.383 120.801 120.500 -0.137 0.000 2.092 589 R HA 0.072 4.404 4.340 -0.013 0.000 0.231 589 R C 2.222 178.439 176.300 -0.138 0.000 1.119 589 R CA 0.741 56.769 56.100 -0.120 0.000 0.970 589 R CB -0.252 29.989 30.300 -0.098 0.000 0.864 589 R HN 0.242 nan 8.270 nan 0.000 0.440 590 I N 0.943 121.412 120.570 -0.167 0.000 2.179 590 I HA -0.270 3.892 4.170 -0.013 0.000 0.242 590 I C 2.140 178.141 176.117 -0.194 0.000 1.088 590 I CA 1.217 62.417 61.300 -0.165 0.000 1.357 590 I CB -0.183 37.724 38.000 -0.154 0.000 1.051 590 I HN 0.018 nan 8.210 nan 0.000 0.409 591 K N 0.841 121.058 120.400 -0.305 0.000 2.209 591 K HA -0.194 4.118 4.320 -0.013 0.000 0.204 591 K C 2.012 178.507 176.600 -0.176 0.000 1.048 591 K CA 1.157 57.272 56.287 -0.286 0.000 0.940 591 K CB -0.283 31.951 32.500 -0.444 0.000 0.729 591 K HN 0.335 nan 8.250 nan 0.000 0.451 592 K N 1.103 121.409 120.400 -0.157 0.000 2.076 592 K HA -0.070 4.242 4.320 -0.013 0.000 0.204 592 K C 0.018 176.570 176.600 -0.081 0.000 1.051 592 K CA 0.997 57.219 56.287 -0.108 0.000 0.949 592 K CB 0.355 32.796 32.500 -0.098 0.000 0.726 592 K HN 0.063 nan 8.250 nan 0.000 0.443 593 E N 0.394 120.546 120.200 -0.081 0.000 3.037 593 E HA 0.122 4.464 4.350 -0.013 0.000 0.220 593 E C -2.311 174.255 176.600 -0.057 0.000 1.142 593 E CA -1.653 54.713 56.400 -0.057 0.000 0.888 593 E CB 1.693 31.367 29.700 -0.044 0.000 1.329 593 E HN 0.144 nan 8.360 nan 0.000 0.409 594 P HA -0.114 nan 4.420 nan 0.000 0.220 594 P C 0.221 177.503 177.300 -0.029 0.000 1.148 594 P CA 1.117 64.186 63.100 -0.052 0.000 0.803 594 P CB 0.210 31.883 31.700 -0.045 0.000 0.782 595 N N -1.239 117.452 118.700 -0.015 0.000 2.268 595 N HA 0.025 4.757 4.740 -0.013 0.000 0.204 595 N C 0.517 176.042 175.510 0.025 0.000 1.124 595 N CA -0.136 52.918 53.050 0.006 0.000 0.838 595 N CB 0.149 38.640 38.487 0.006 0.000 0.994 595 N HN -0.004 nan 8.380 nan 0.000 0.489 596 K N 1.143 121.552 120.400 0.015 0.000 2.143 596 K HA 0.143 4.456 4.320 -0.013 0.000 0.272 596 K C -0.888 175.751 176.600 0.064 0.000 1.001 596 K CA -0.541 55.770 56.287 0.041 0.000 0.915 596 K CB 0.665 33.171 32.500 0.009 0.000 1.047 596 K HN -0.053 nan 8.250 nan 0.000 0.458 597 F N 4.544 124.482 119.950 -0.020 0.000 2.456 597 F HA 0.194 4.714 4.527 -0.013 0.000 0.358 597 F C -0.367 175.421 175.800 -0.021 0.000 1.095 597 F CA -0.148 57.841 58.000 -0.018 0.000 1.216 597 F CB 0.599 39.592 39.000 -0.013 0.000 1.125 597 F HN 0.177 nan 8.300 nan 0.000 0.549 598 V N 4.176 123.543 119.914 -0.912 0.000 2.876 598 V HA 0.544 4.657 4.120 -0.013 0.000 0.312 598 V C -0.698 174.769 176.094 -1.045 0.000 1.085 598 V CA -1.244 60.624 62.300 -0.720 0.000 0.945 598 V CB 1.019 32.629 31.823 -0.354 0.000 1.017 598 V HN 0.569 nan 8.190 nan 0.000 0.428 599 V N 4.526 124.109 119.914 -0.553 0.000 2.493 599 V HA 0.182 4.294 4.120 -0.013 0.000 0.292 599 V C -1.850 174.077 176.094 -0.278 0.000 1.016 599 V CA -0.447 61.669 62.300 -0.306 0.000 1.097 599 V CB 0.285 32.059 31.823 -0.082 0.000 0.947 599 V HN 0.897 nan 8.190 nan 0.000 0.479 600 P HA 0.304 nan 4.420 nan 0.000 0.268 600 P C -0.379 176.835 177.300 -0.142 0.000 1.204 600 P CA -0.002 63.009 63.100 -0.148 0.000 0.768 600 P CB 0.526 32.188 31.700 -0.063 0.000 0.842 601 R N 1.110 121.535 120.500 -0.125 0.000 2.750 601 R HA 0.564 4.896 4.340 -0.013 0.000 0.281 601 R C -0.672 175.584 176.300 -0.073 0.000 0.972 601 R CA -0.637 55.391 56.100 -0.120 0.000 0.912 601 R CB 1.884 32.098 30.300 -0.143 0.000 1.187 601 R HN 0.306 nan 8.270 nan 0.000 0.464 602 T N 2.082 116.605 114.554 -0.053 0.000 2.788 602 T HA 0.247 4.589 4.350 -0.013 0.000 0.296 602 T C -0.319 174.284 174.700 -0.162 0.000 1.009 602 T CA -0.498 61.521 62.100 -0.134 0.000 0.949 602 T CB 1.152 69.854 68.868 -0.277 0.000 0.946 602 T HN 0.129 nan 8.240 nan 0.000 0.453 603 V N 5.959 125.790 119.914 -0.139 0.000 2.364 603 V HA 0.414 4.526 4.120 -0.013 0.000 0.272 603 V C 0.053 176.064 176.094 -0.139 0.000 1.036 603 V CA -0.428 61.798 62.300 -0.123 0.000 0.880 603 V CB 0.620 32.388 31.823 -0.092 0.000 0.991 603 V HN 0.859 nan 8.190 nan 0.000 0.460 604 M N 6.743 126.252 119.600 -0.152 0.000 2.243 604 M HA 0.624 5.096 4.480 -0.013 0.000 0.324 604 M C -0.998 175.192 176.300 -0.183 0.000 1.031 604 M CA -0.189 55.013 55.300 -0.164 0.000 0.949 604 M CB 2.020 34.524 32.600 -0.159 0.000 1.615 604 M HN 0.405 nan 8.290 nan 0.000 0.430 605 I N 1.826 122.266 120.570 -0.217 0.000 2.498 605 I HA 0.844 5.006 4.170 -0.013 0.000 0.290 605 I C 0.083 175.865 176.117 -0.558 0.000 1.032 605 I CA -0.647 60.495 61.300 -0.263 0.000 1.073 605 I CB 2.285 40.220 38.000 -0.110 0.000 1.251 605 I HN 0.813 nan 8.210 nan 0.000 0.426 606 G N 2.918 111.366 108.800 -0.587 0.000 2.690 606 G HA2 0.840 4.792 3.960 -0.013 0.000 0.293 606 G HA3 0.840 4.792 3.960 -0.013 0.000 0.293 606 G C -1.003 173.613 174.900 -0.473 0.000 1.399 606 G CA -0.762 43.849 45.100 -0.815 0.000 0.890 606 G HN 0.999 nan 8.290 nan 0.000 0.485 607 G N -0.442 108.232 108.800 -0.209 0.000 2.337 607 G HA2 0.396 4.348 3.960 -0.013 0.000 0.310 607 G HA3 0.396 4.348 3.960 -0.013 0.000 0.310 607 G C -1.255 173.781 174.900 0.227 0.000 1.534 607 G CA -1.042 44.102 45.100 0.073 0.000 0.982 607 G HN 0.606 nan 8.290 nan 0.000 0.672 608 K N -0.064 120.463 120.400 0.212 0.000 2.118 608 K HA 0.734 5.046 4.320 -0.013 0.000 0.267 608 K C 0.329 177.048 176.600 0.199 0.000 0.991 608 K CA -0.112 56.316 56.287 0.234 0.000 0.916 608 K CB 1.948 34.500 32.500 0.086 0.000 1.041 608 K HN 0.874 nan 8.250 nan 0.000 0.455 609 A N 1.521 124.485 122.820 0.240 0.000 2.305 609 A HA 0.608 4.920 4.320 -0.013 0.000 0.322 609 A C -0.373 177.375 177.584 0.273 0.000 1.187 609 A CA -0.723 51.392 52.037 0.129 0.000 0.825 609 A CB 0.913 19.920 19.000 0.011 0.000 1.164 609 A HN 0.781 nan 8.150 nan 0.000 0.498 610 A N 3.843 126.812 122.820 0.248 0.000 2.546 610 A HA 0.442 4.754 4.320 -0.013 0.000 0.243 610 A C -1.387 176.303 177.584 0.177 0.000 1.063 610 A CA -0.710 51.496 52.037 0.282 0.000 0.757 610 A CB -0.362 18.808 19.000 0.283 0.000 0.991 610 A HN 0.608 nan 8.150 nan 0.000 0.503 611 P HA -0.140 nan 4.420 nan 0.000 0.217 611 P C 1.304 178.606 177.300 0.003 0.000 1.148 611 P CA 1.968 65.017 63.100 -0.085 0.000 0.828 611 P CB 0.218 31.799 31.700 -0.199 0.000 0.783 612 G N -2.966 105.870 108.800 0.060 0.000 3.189 612 G HA2 -0.071 3.882 3.960 -0.013 0.000 0.225 612 G HA3 -0.071 3.882 3.960 -0.013 0.000 0.225 612 G C -0.270 174.712 174.900 0.137 0.000 1.159 612 G CA -0.120 45.018 45.100 0.063 0.000 0.763 612 G HN 0.309 nan 8.290 nan 0.000 0.549 613 Y N 1.573 121.888 120.300 0.024 0.000 2.650 613 Y HA 0.199 4.742 4.550 -0.013 0.000 0.343 613 Y C 1.591 177.523 175.900 0.054 0.000 1.078 613 Y CA -1.077 57.043 58.100 0.034 0.000 1.356 613 Y CB 0.160 38.636 38.460 0.026 0.000 1.204 613 Y HN 0.312 nan 8.280 nan 0.000 0.508 614 H N 4.275 123.489 119.070 0.240 0.000 2.319 614 H HA -0.210 4.338 4.556 -0.012 0.000 0.299 614 H C 1.769 177.139 175.328 0.071 0.000 1.092 614 H CA 2.261 58.378 56.048 0.115 0.000 1.302 614 H CB 0.387 30.198 29.762 0.081 0.000 1.373 614 H HN 0.728 nan 8.280 nan 0.000 0.497 615 M N 1.051 120.656 119.600 0.009 0.000 2.159 615 M HA -0.065 4.407 4.480 -0.013 0.000 0.263 615 M C 2.531 178.616 176.300 -0.358 0.000 1.063 615 M CA 1.793 57.014 55.300 -0.131 0.000 1.110 615 M CB -0.679 31.990 32.600 0.115 0.000 1.374 615 M HN 0.334 nan 8.290 nan 0.000 0.411 616 A N -0.411 121.966 122.820 -0.739 0.000 1.933 616 A HA -0.185 4.128 4.320 -0.013 0.000 0.218 616 A C 2.196 179.578 177.584 -0.337 0.000 1.175 616 A CA 1.814 53.425 52.037 -0.709 0.000 0.628 616 A CB -0.636 17.700 19.000 -1.107 0.000 0.814 616 A HN 0.580 nan 8.150 nan 0.000 0.444 617 K N -1.125 119.133 120.400 -0.238 0.000 2.097 617 K HA -0.059 4.253 4.320 -0.013 0.000 0.205 617 K C 1.937 178.497 176.600 -0.067 0.000 1.050 617 K CA 1.274 57.511 56.287 -0.085 0.000 0.938 617 K CB -0.215 32.297 32.500 0.021 0.000 0.718 617 K HN 0.343 nan 8.250 nan 0.000 0.442 618 M N 0.514 120.023 119.600 -0.152 0.000 2.175 618 M HA -0.088 4.384 4.480 -0.013 0.000 0.264 618 M C 2.117 178.362 176.300 -0.092 0.000 1.063 618 M CA 1.411 56.665 55.300 -0.077 0.000 1.119 618 M CB -0.652 31.883 32.600 -0.107 0.000 1.377 618 M HN 0.125 nan 8.290 nan 0.000 0.415 619 I N -0.118 120.358 120.570 -0.156 0.000 2.179 619 I HA -0.306 3.857 4.170 -0.013 0.000 0.242 619 I C 2.304 178.299 176.117 -0.204 0.000 1.088 619 I CA 1.072 62.269 61.300 -0.172 0.000 1.357 619 I CB -0.321 37.576 38.000 -0.172 0.000 1.051 619 I HN 0.168 nan 8.210 nan 0.000 0.409 620 I N 0.708 121.139 120.570 -0.233 0.000 2.127 620 I HA -0.339 3.823 4.170 -0.013 0.000 0.241 620 I C 2.622 178.466 176.117 -0.455 0.000 1.075 620 I CA 1.417 62.481 61.300 -0.393 0.000 1.334 620 I CB -0.381 37.350 38.000 -0.448 0.000 1.040 620 I HN 0.168 nan 8.210 nan 0.000 0.405 621 K N 1.483 121.628 120.400 -0.425 0.000 2.103 621 K HA -0.164 4.149 4.320 -0.013 0.000 0.207 621 K C 2.039 178.489 176.600 -0.251 0.000 1.048 621 K CA 1.511 57.469 56.287 -0.547 0.000 0.930 621 K CB -0.582 31.299 32.500 -1.031 0.000 0.716 621 K HN 0.250 nan 8.250 nan 0.000 0.444 622 L N 0.316 121.425 121.223 -0.190 0.000 2.012 622 L HA -0.183 4.149 4.340 -0.013 0.000 0.210 622 L C 2.207 178.851 176.870 -0.377 0.000 1.073 622 L CA 1.755 56.313 54.840 -0.470 0.000 0.748 622 L CB -0.290 41.399 42.059 -0.617 0.000 0.891 622 L HN 0.272 nan 8.230 nan 0.000 0.431 623 I N -0.240 120.161 120.570 -0.282 0.000 2.163 623 I HA -0.338 3.824 4.170 -0.013 0.000 0.243 623 I C 2.646 178.666 176.117 -0.162 0.000 1.085 623 I CA 1.933 63.120 61.300 -0.188 0.000 1.347 623 I CB -0.574 37.401 38.000 -0.042 0.000 1.044 623 I HN 0.436 nan 8.210 nan 0.000 0.408 624 T N -0.790 113.641 114.554 -0.205 0.000 2.788 624 T HA -0.107 4.236 4.350 -0.013 0.000 0.268 624 T C 1.984 176.619 174.700 -0.108 0.000 1.044 624 T CA 1.006 63.011 62.100 -0.159 0.000 1.139 624 T CB -0.518 68.210 68.868 -0.234 0.000 0.867 624 T HN 0.341 nan 8.240 nan 0.000 0.454 625 A N 1.498 124.255 122.820 -0.106 0.000 1.930 625 A HA 0.145 4.458 4.320 -0.013 0.000 0.217 625 A C 2.389 179.998 177.584 0.041 0.000 1.175 625 A CA 1.296 53.340 52.037 0.012 0.000 0.627 625 A CB -0.814 18.297 19.000 0.184 0.000 0.815 625 A HN 0.597 nan 8.150 nan 0.000 0.443 626 I N -0.247 120.244 120.570 -0.132 0.000 2.179 626 I HA -0.209 3.953 4.170 -0.013 0.000 0.242 626 I C 2.736 178.815 176.117 -0.063 0.000 1.088 626 I CA 1.158 62.363 61.300 -0.159 0.000 1.357 626 I CB -0.696 37.080 38.000 -0.374 0.000 1.051 626 I HN 0.387 nan 8.210 nan 0.000 0.409 627 G N 0.494 109.246 108.800 -0.081 0.000 2.469 627 G HA2 -0.282 3.670 3.960 -0.013 0.000 0.219 627 G HA3 -0.282 3.670 3.960 -0.013 0.000 0.219 627 G C 1.281 176.162 174.900 -0.031 0.000 1.150 627 G CA 1.125 46.183 45.100 -0.070 0.000 0.763 627 G HN 0.288 nan 8.290 nan 0.000 0.561 628 D N -0.047 120.372 120.400 0.033 0.000 2.149 628 D HA -0.087 4.546 4.640 -0.013 0.000 0.198 628 D C 2.720 179.112 176.300 0.154 0.000 0.990 628 D CA 0.772 54.852 54.000 0.134 0.000 0.839 628 D CB -0.215 40.627 40.800 0.069 0.000 0.948 628 D HN 0.251 nan 8.370 nan 0.000 0.460 629 V N 0.156 120.095 119.914 0.042 0.000 2.331 629 V HA -0.136 3.976 4.120 -0.013 0.000 0.242 629 V C 2.598 178.626 176.094 -0.111 0.000 1.034 629 V CA 0.768 63.032 62.300 -0.060 0.000 1.027 629 V CB -0.258 31.472 31.823 -0.155 0.000 0.667 629 V HN 0.026 nan 8.190 nan 0.000 0.457 630 V N 0.911 120.712 119.914 -0.189 0.000 2.358 630 V HA -0.194 3.918 4.120 -0.013 0.000 0.246 630 V C 2.124 178.162 176.094 -0.093 0.000 1.047 630 V CA 1.993 64.170 62.300 -0.205 0.000 1.035 630 V CB -0.845 30.860 31.823 -0.196 0.000 0.658 630 V HN 0.562 nan 8.190 nan 0.000 0.452 631 N N -0.350 118.242 118.700 -0.179 0.000 2.512 631 N HA -0.075 4.657 4.740 -0.013 0.000 0.183 631 N C 1.160 176.402 175.510 -0.447 0.000 1.073 631 N CA 0.858 53.715 53.050 -0.322 0.000 0.911 631 N CB -0.244 37.976 38.487 -0.446 0.000 0.964 631 N HN 0.691 nan 8.380 nan 0.000 0.447 632 H N -1.537 117.534 119.070 0.001 0.000 2.674 632 H HA 0.200 4.748 4.556 -0.012 0.000 0.274 632 H C -0.506 174.837 175.328 0.026 0.000 1.121 632 H CA -0.500 55.553 56.048 0.009 0.000 1.132 632 H CB 0.644 30.401 29.762 -0.008 0.000 1.606 632 H HN -0.018 nan 8.280 nan 0.000 0.558 633 D N 1.977 122.448 120.400 0.119 0.000 2.316 633 D HA 0.034 4.666 4.640 -0.013 0.000 0.245 633 D C -1.599 174.761 176.300 0.100 0.000 1.171 633 D CA -2.037 52.047 54.000 0.141 0.000 0.856 633 D CB 1.716 42.674 40.800 0.262 0.000 1.090 633 D HN 0.116 nan 8.370 nan 0.000 0.476 634 P HA -0.104 nan 4.420 nan 0.000 0.218 634 P C 1.591 178.916 177.300 0.041 0.000 1.149 634 P CA 0.317 63.449 63.100 0.053 0.000 0.817 634 P CB 0.400 32.126 31.700 0.044 0.000 0.785 635 V N -0.443 119.496 119.914 0.042 0.000 2.515 635 V HA -0.163 3.949 4.120 -0.013 0.000 0.250 635 V C 2.507 178.610 176.094 0.014 0.000 1.058 635 V CA 1.429 63.740 62.300 0.019 0.000 1.064 635 V CB -1.002 30.822 31.823 0.001 0.000 0.675 635 V HN -0.023 nan 8.190 nan 0.000 0.461 636 V N -0.230 119.711 119.914 0.045 0.000 2.307 636 V HA 0.088 4.201 4.120 -0.013 0.000 0.245 636 V C 1.759 177.863 176.094 0.017 0.000 1.045 636 V CA 1.673 63.999 62.300 0.043 0.000 1.024 636 V CB -1.154 30.740 31.823 0.117 0.000 0.651 636 V HN 0.752 nan 8.190 nan 0.000 0.449 637 G N 1.403 110.216 108.800 0.023 0.000 2.527 637 G HA2 -0.339 3.613 3.960 -0.013 0.000 0.268 637 G HA3 -0.339 3.613 3.960 -0.013 0.000 0.268 637 G C 0.217 175.120 174.900 0.006 0.000 1.175 637 G CA 0.371 45.479 45.100 0.014 0.000 0.962 637 G HN 0.668 nan 8.290 nan 0.000 0.560 638 D N 0.357 120.759 120.400 0.004 0.000 2.395 638 D HA 0.185 4.818 4.640 -0.013 0.000 0.226 638 D C 1.788 178.080 176.300 -0.013 0.000 1.146 638 D CA 0.062 54.064 54.000 0.003 0.000 0.830 638 D CB -0.080 40.731 40.800 0.018 0.000 0.958 638 D HN 0.602 nan 8.370 nan 0.000 0.501 639 R N -0.704 119.778 120.500 -0.030 0.000 2.161 639 R HA 0.213 4.545 4.340 -0.013 0.000 0.213 639 R C -0.025 176.230 176.300 -0.074 0.000 1.055 639 R CA 0.222 56.281 56.100 -0.069 0.000 0.996 639 R CB 0.320 30.561 30.300 -0.098 0.000 0.901 639 R HN 0.115 nan 8.270 nan 0.000 0.456 640 L N 0.628 121.823 121.223 -0.046 0.000 2.505 640 L HA 0.398 4.731 4.340 -0.013 0.000 0.266 640 L C -1.557 175.284 176.870 -0.048 0.000 0.954 640 L CA -0.500 54.310 54.840 -0.050 0.000 0.852 640 L CB 1.845 43.888 42.059 -0.027 0.000 1.282 640 L HN -0.173 nan 8.230 nan 0.000 0.403 641 R N 3.916 124.374 120.500 -0.070 0.000 2.628 641 R HA 0.762 5.094 4.340 -0.013 0.000 0.288 641 R C -1.683 174.556 176.300 -0.102 0.000 0.980 641 R CA -0.782 55.265 56.100 -0.087 0.000 0.891 641 R CB 2.426 32.675 30.300 -0.085 0.000 1.188 641 R HN 0.423 nan 8.270 nan 0.000 0.450 642 V N 4.874 124.725 119.914 -0.105 0.000 2.407 642 V HA 0.499 4.611 4.120 -0.013 0.000 0.291 642 V C -0.376 175.665 176.094 -0.088 0.000 1.018 642 V CA -0.730 61.510 62.300 -0.099 0.000 0.842 642 V CB 1.657 33.421 31.823 -0.098 0.000 0.996 642 V HN 0.534 nan 8.190 nan 0.000 0.426 643 I N 4.964 125.482 120.570 -0.088 0.000 2.498 643 I HA 0.430 4.592 4.170 -0.013 0.000 0.290 643 I C -0.653 175.438 176.117 -0.043 0.000 1.032 643 I CA -0.324 60.932 61.300 -0.073 0.000 1.073 643 I CB 1.887 39.818 38.000 -0.115 0.000 1.251 643 I HN 0.544 nan 8.210 nan 0.000 0.426 644 F N 7.019 126.895 119.950 -0.123 0.000 2.411 644 F HA 0.473 4.993 4.527 -0.012 0.000 0.355 644 F C -0.480 175.249 175.800 -0.118 0.000 1.117 644 F CA -0.593 57.339 58.000 -0.114 0.000 1.139 644 F CB 0.643 39.578 39.000 -0.107 0.000 1.120 644 F HN 0.183 nan 8.300 nan 0.000 0.493 645 L N 6.347 127.157 121.223 -0.689 0.000 2.363 645 L HA 0.173 4.505 4.340 -0.013 0.000 0.286 645 L C 0.249 176.863 176.870 -0.426 0.000 1.106 645 L CA 0.071 54.651 54.840 -0.432 0.000 0.859 645 L CB 0.164 42.054 42.059 -0.282 0.000 1.223 645 L HN 0.611 nan 8.230 nan 0.000 0.446 646 E N 3.398 123.497 120.200 -0.168 0.000 2.373 646 E HA -0.019 4.323 4.350 -0.013 0.000 0.267 646 E C 0.455 177.125 176.600 0.117 0.000 1.032 646 E CA -0.236 56.214 56.400 0.082 0.000 0.889 646 E CB 0.341 30.075 29.700 0.056 0.000 0.984 646 E HN 0.544 nan 8.360 nan 0.000 0.425 647 N N 2.475 121.299 118.700 0.207 0.000 2.740 647 N HA -0.277 4.455 4.740 -0.013 0.000 0.248 647 N C -1.506 174.102 175.510 0.164 0.000 1.062 647 N CA 0.548 53.712 53.050 0.190 0.000 0.704 647 N CB -1.725 36.886 38.487 0.207 0.000 0.968 647 N HN 0.510 nan 8.380 nan 0.000 0.547 648 Y N 1.597 121.912 120.300 0.025 0.000 2.805 648 Y HA 0.111 4.653 4.550 -0.013 0.000 0.331 648 Y C 1.157 177.082 175.900 0.041 0.000 1.241 648 Y CA 0.798 58.900 58.100 0.004 0.000 1.546 648 Y CB 0.258 38.688 38.460 -0.051 0.000 1.248 648 Y HN 0.364 nan 8.280 nan 0.000 0.559 649 R N 2.488 122.644 120.500 -0.574 0.000 2.762 649 R HA 0.431 4.763 4.340 -0.013 0.000 0.271 649 R C -0.558 175.415 176.300 -0.545 0.000 1.038 649 R CA -0.550 55.314 56.100 -0.394 0.000 0.906 649 R CB 0.291 30.553 30.300 -0.064 0.000 1.259 649 R HN 0.349 nan 8.270 nan 0.000 0.457 650 V N 1.118 120.743 119.914 -0.483 0.000 2.287 650 V HA -0.285 3.827 4.120 -0.013 0.000 0.248 650 V C 2.614 178.587 176.094 -0.201 0.000 1.053 650 V CA 2.827 64.902 62.300 -0.374 0.000 1.027 650 V CB -0.820 30.744 31.823 -0.431 0.000 0.646 650 V HN 0.920 nan 8.190 nan 0.000 0.447 651 S N 0.081 115.685 115.700 -0.159 0.000 2.399 651 S HA -0.187 4.276 4.470 -0.013 0.000 0.231 651 S C 1.941 176.492 174.600 -0.082 0.000 1.022 651 S CA 1.695 59.829 58.200 -0.110 0.000 0.983 651 S CB -0.527 62.637 63.200 -0.060 0.000 0.803 651 S HN 0.388 nan 8.310 nan 0.000 0.480 652 L N 2.044 123.226 121.223 -0.068 0.000 2.109 652 L HA 0.308 4.641 4.340 -0.013 0.000 0.207 652 L C 2.722 179.610 176.870 0.030 0.000 1.086 652 L CA 1.468 56.315 54.840 0.010 0.000 0.760 652 L CB -1.382 40.744 42.059 0.112 0.000 0.910 652 L HN 0.355 nan 8.230 nan 0.000 0.437 653 A N -0.665 122.144 122.820 -0.019 0.000 1.940 653 A HA -0.258 4.054 4.320 -0.013 0.000 0.219 653 A C 2.133 179.783 177.584 0.110 0.000 1.176 653 A CA 1.923 54.025 52.037 0.109 0.000 0.631 653 A CB -0.662 18.377 19.000 0.066 0.000 0.814 653 A HN 0.604 nan 8.150 nan 0.000 0.446 654 E N -0.523 119.728 120.200 0.084 0.000 2.265 654 E HA -0.169 4.174 4.350 -0.013 0.000 0.196 654 E C 1.894 178.467 176.600 -0.046 0.000 0.996 654 E CA 1.248 57.651 56.400 0.006 0.000 0.832 654 E CB -0.047 29.562 29.700 -0.152 0.000 0.756 654 E HN 0.642 nan 8.360 nan 0.000 0.491 655 K N -0.101 120.256 120.400 -0.072 0.000 2.141 655 K HA 0.033 4.345 4.320 -0.013 0.000 0.202 655 K C 2.128 178.574 176.600 -0.258 0.000 1.045 655 K CA 0.420 56.654 56.287 -0.089 0.000 0.971 655 K CB 0.038 32.488 32.500 -0.082 0.000 0.795 655 K HN -0.051 nan 8.250 nan 0.000 0.459 656 V N 1.812 121.485 119.914 -0.402 0.000 2.488 656 V HA -0.120 3.993 4.120 -0.013 0.000 0.246 656 V C 1.883 177.747 176.094 -0.384 0.000 1.046 656 V CA 1.195 63.026 62.300 -0.780 0.000 1.053 656 V CB -0.152 31.309 31.823 -0.604 0.000 0.679 656 V HN 0.238 nan 8.190 nan 0.000 0.458 657 I N 0.665 121.063 120.570 -0.287 0.000 2.163 657 I HA -0.146 4.016 4.170 -0.013 0.000 0.243 657 I C -0.208 175.805 176.117 -0.174 0.000 1.085 657 I CA 1.741 62.806 61.300 -0.391 0.000 1.347 657 I CB -1.500 36.135 38.000 -0.610 0.000 1.044 657 I HN 0.360 nan 8.210 nan 0.000 0.408 658 P HA -0.138 nan 4.420 nan 0.000 0.219 658 P C 1.078 178.378 177.300 0.000 0.000 1.146 658 P CA 1.400 64.482 63.100 -0.030 0.000 0.808 658 P CB 0.013 31.703 31.700 -0.017 0.000 0.779 659 A N -1.154 121.650 122.820 -0.026 0.000 2.218 659 A HA 0.408 4.720 4.320 -0.013 0.000 0.209 659 A C 1.214 178.893 177.584 0.157 0.000 1.168 659 A CA 0.243 52.314 52.037 0.057 0.000 0.804 659 A CB -0.764 18.279 19.000 0.072 0.000 0.834 659 A HN 0.206 nan 8.150 nan 0.000 0.482 660 A N -0.108 122.811 122.820 0.165 0.000 2.354 660 A HA 0.471 4.783 4.320 -0.013 0.000 0.269 660 A C 0.357 178.088 177.584 0.245 0.000 1.109 660 A CA -0.168 52.030 52.037 0.268 0.000 0.800 660 A CB 0.360 19.608 19.000 0.412 0.000 1.045 660 A HN 0.279 nan 8.150 nan 0.000 0.489 661 D N 0.399 120.944 120.400 0.242 0.000 2.394 661 D HA 0.120 4.753 4.640 -0.013 0.000 0.226 661 D C 0.019 176.530 176.300 0.351 0.000 0.990 661 D CA 0.731 54.930 54.000 0.331 0.000 0.902 661 D CB 0.325 41.250 40.800 0.208 0.000 1.038 661 D HN 0.358 nan 8.370 nan 0.000 0.499 662 L N 1.102 122.412 121.223 0.146 0.000 2.376 662 L HA 0.288 4.620 4.340 -0.013 0.000 0.275 662 L C -0.894 175.850 176.870 -0.210 0.000 0.987 662 L CA -0.302 54.545 54.840 0.012 0.000 0.828 662 L CB 2.126 44.170 42.059 -0.025 0.000 1.249 662 L HN -0.194 nan 8.230 nan 0.000 0.409 663 S N 4.314 119.799 115.700 -0.359 0.000 2.422 663 S HA 0.322 4.784 4.470 -0.013 0.000 0.308 663 S C -0.372 173.951 174.600 -0.462 0.000 1.097 663 S CA -0.659 57.086 58.200 -0.759 0.000 1.099 663 S CB 0.602 63.309 63.200 -0.821 0.000 0.976 663 S HN 0.558 nan 8.310 nan 0.000 0.471 664 E N 4.178 124.120 120.200 -0.429 0.000 2.089 664 E HA 0.201 4.543 4.350 -0.013 0.000 0.284 664 E C -0.531 175.959 176.600 -0.184 0.000 1.023 664 E CA -0.376 55.897 56.400 -0.213 0.000 0.819 664 E CB 0.945 30.550 29.700 -0.159 0.000 1.076 664 E HN 0.606 nan 8.360 nan 0.000 0.396 665 Q N 2.870 122.618 119.800 -0.088 0.000 2.907 665 Q HA 0.282 4.614 4.340 -0.013 0.000 0.262 665 Q C 0.584 176.578 176.000 -0.011 0.000 0.997 665 Q CA -0.145 55.623 55.803 -0.058 0.000 0.797 665 Q CB 0.302 29.019 28.738 -0.035 0.000 1.228 665 Q HN 0.614 nan 8.270 nan 0.000 0.466 666 I N -1.760 118.786 120.570 -0.039 0.000 3.707 666 I HA 0.268 4.431 4.170 -0.013 0.000 0.330 666 I C 0.390 176.464 176.117 -0.072 0.000 1.572 666 I CA -0.703 60.588 61.300 -0.015 0.000 1.104 666 I CB 0.610 38.600 38.000 -0.017 0.000 1.240 666 I HN 0.026 nan 8.210 nan 0.000 0.475 667 S N 0.466 116.124 115.700 -0.070 0.000 2.568 667 S HA 0.184 4.647 4.470 -0.013 0.000 0.282 667 S C 0.587 175.176 174.600 -0.019 0.000 1.338 667 S CA -0.225 57.955 58.200 -0.034 0.000 1.045 667 S CB 0.265 63.499 63.200 0.057 0.000 0.873 667 S HN 0.377 nan 8.310 nan 0.000 0.516 668 T N 2.887 117.463 114.554 0.036 0.000 2.908 668 T HA 0.356 4.699 4.350 -0.013 0.000 0.301 668 T C 0.791 175.505 174.700 0.023 0.000 1.019 668 T CA 0.292 62.419 62.100 0.044 0.000 1.152 668 T CB -0.097 68.868 68.868 0.161 0.000 0.966 668 T HN 1.035 nan 8.240 nan 0.000 0.540 669 A N 2.729 125.531 122.820 -0.031 0.000 2.584 669 A HA 0.443 4.755 4.320 -0.013 0.000 0.239 669 A C 1.654 179.233 177.584 -0.008 0.000 1.043 669 A CA 0.296 52.310 52.037 -0.038 0.000 0.756 669 A CB -0.884 18.081 19.000 -0.058 0.000 0.963 669 A HN 1.780 nan 8.150 nan 0.000 0.511 670 G N 1.313 110.107 108.800 -0.011 0.000 2.176 670 G HA2 -0.234 3.718 3.960 -0.013 0.000 0.232 670 G HA3 -0.234 3.718 3.960 -0.013 0.000 0.232 670 G C 0.831 175.720 174.900 -0.019 0.000 0.986 670 G CA 1.142 46.236 45.100 -0.009 0.000 0.643 670 G HN 2.016 nan 8.290 nan 0.000 0.522 671 T N -2.607 111.934 114.554 -0.023 0.000 3.038 671 T HA 0.414 4.756 4.350 -0.013 0.000 0.244 671 T C 0.726 175.263 174.700 -0.272 0.000 1.016 671 T CA 1.019 63.038 62.100 -0.134 0.000 1.098 671 T CB 0.575 69.420 68.868 -0.038 0.000 0.954 671 T HN 0.278 nan 8.240 nan 0.000 0.469 672 E N 1.530 121.710 120.200 -0.035 0.000 2.052 672 E HA 0.663 5.006 4.350 -0.013 0.000 0.283 672 E C 1.171 177.721 176.600 -0.084 0.000 1.071 672 E CA 0.083 56.502 56.400 0.031 0.000 0.851 672 E CB 0.818 30.601 29.700 0.139 0.000 1.066 672 E HN 0.350 nan 8.360 nan 0.000 0.396 673 A N 3.430 126.123 122.820 -0.212 0.000 1.892 673 A HA -0.224 4.089 4.320 -0.013 0.000 0.218 673 A C 2.004 179.466 177.584 -0.204 0.000 1.188 673 A CA 2.295 54.076 52.037 -0.426 0.000 0.631 673 A CB -0.315 18.173 19.000 -0.853 0.000 0.822 673 A HN 0.601 nan 8.150 nan 0.000 0.447 674 S N -3.782 111.855 115.700 -0.106 0.000 3.624 674 S HA 0.454 4.916 4.470 -0.013 0.000 0.244 674 S C 0.724 175.314 174.600 -0.017 0.000 1.115 674 S CA 1.456 59.641 58.200 -0.025 0.000 0.820 674 S CB -0.084 63.125 63.200 0.016 0.000 0.964 674 S HN 2.262 nan 8.310 nan 0.000 0.508 675 G N 0.389 109.183 108.800 -0.010 0.000 2.722 675 G HA2 -0.071 3.881 3.960 -0.013 0.000 0.686 675 G HA3 -0.071 3.881 3.960 -0.013 0.000 0.686 675 G C 0.250 175.132 174.900 -0.031 0.000 1.282 675 G CA 0.454 45.545 45.100 -0.014 0.000 0.817 675 G HN 1.285 nan 8.290 nan 0.000 0.605 676 T N -1.805 112.717 114.554 -0.054 0.000 3.051 676 T HA 0.379 4.721 4.350 -0.013 0.000 0.254 676 T C 2.438 177.039 174.700 -0.165 0.000 0.916 676 T CA 1.312 63.352 62.100 -0.100 0.000 0.894 676 T CB 0.158 68.961 68.868 -0.109 0.000 1.251 676 T HN 1.957 nan 8.240 nan 0.000 0.517 677 G N 3.324 112.051 108.800 -0.121 0.000 2.505 677 G HA2 -0.347 3.606 3.960 -0.013 0.000 0.220 677 G HA3 -0.347 3.606 3.960 -0.013 0.000 0.220 677 G C 1.468 176.418 174.900 0.084 0.000 1.145 677 G CA 1.393 46.448 45.100 -0.075 0.000 0.761 677 G HN 0.853 nan 8.290 nan 0.000 0.571 678 N N -0.057 118.678 118.700 0.058 0.000 2.061 678 N HA -0.117 4.615 4.740 -0.013 0.000 0.193 678 N C 1.458 176.975 175.510 0.012 0.000 1.030 678 N CA 0.749 53.835 53.050 0.059 0.000 0.856 678 N CB -0.350 38.126 38.487 -0.019 0.000 1.023 678 N HN 0.357 nan 8.380 nan 0.000 0.424 682 M N 0.221 119.908 119.600 0.145 0.000 2.117 682 M HA -0.124 4.349 4.480 -0.013 0.000 0.262 682 M C 1.971 178.325 176.300 0.090 0.000 1.065 682 M CA 1.760 57.116 55.300 0.094 0.000 1.114 682 M CB -0.044 32.598 32.600 0.071 0.000 1.361 682 M HN 0.305 nan 8.290 nan 0.000 0.408 683 L N 0.838 122.111 121.223 0.083 0.000 2.201 683 L HA -0.086 4.247 4.340 -0.013 0.000 0.212 683 L C 1.336 178.252 176.870 0.076 0.000 1.105 683 L CA 1.636 56.532 54.840 0.092 0.000 0.775 683 L CB -0.636 41.487 42.059 0.107 0.000 0.913 683 L HN 0.357 nan 8.230 nan 0.000 0.440 684 N N -0.356 118.382 118.700 0.062 0.000 2.235 684 N HA 0.172 4.904 4.740 -0.013 0.000 0.209 684 N C 0.823 176.373 175.510 0.066 0.000 1.122 684 N CA 0.786 53.867 53.050 0.052 0.000 0.845 684 N CB 0.599 39.095 38.487 0.016 0.000 1.004 684 N HN 0.386 nan 8.380 nan 0.000 0.499 685 G N 0.641 109.485 108.800 0.074 0.000 2.142 685 G HA2 -0.194 3.758 3.960 -0.013 0.000 0.225 685 G HA3 -0.194 3.758 3.960 -0.013 0.000 0.225 685 G C -0.018 174.951 174.900 0.116 0.000 1.015 685 G CA 0.122 45.264 45.100 0.071 0.000 0.716 685 G HN 0.507 nan 8.290 nan 0.000 0.508 686 A N -0.262 122.639 122.820 0.136 0.000 2.312 686 A HA 0.872 5.185 4.320 -0.013 0.000 0.328 686 A C 0.520 178.115 177.584 0.019 0.000 1.158 686 A CA -0.611 51.521 52.037 0.158 0.000 0.821 686 A CB 0.930 20.076 19.000 0.243 0.000 1.170 686 A HN 0.732 nan 8.150 nan 0.000 0.490 687 L N 0.850 122.042 121.223 -0.052 0.000 2.439 687 L HA 0.401 4.734 4.340 -0.013 0.000 0.261 687 L C 0.245 176.995 176.870 -0.201 0.000 1.153 687 L CA -0.277 54.442 54.840 -0.201 0.000 0.808 687 L CB 1.242 43.089 42.059 -0.353 0.000 1.126 687 L HN 0.686 nan 8.230 nan 0.000 0.460 688 T N 2.668 116.981 114.554 -0.401 0.000 2.779 688 T HA 0.445 4.787 4.350 -0.013 0.000 0.280 688 T C -0.336 174.152 174.700 -0.354 0.000 0.987 688 T CA -0.267 61.528 62.100 -0.508 0.000 0.966 688 T CB 1.484 69.826 68.868 -0.877 0.000 0.933 688 T HN 0.348 nan 8.240 nan 0.000 0.442 689 I N 3.029 123.519 120.570 -0.133 0.000 2.321 689 I HA 0.697 4.860 4.170 -0.013 0.000 0.291 689 I C 0.128 176.369 176.117 0.207 0.000 0.998 689 I CA 0.105 61.457 61.300 0.087 0.000 1.227 689 I CB 0.305 38.318 38.000 0.020 0.000 1.368 689 I HN 0.778 nan 8.210 nan 0.000 0.466 690 G N 4.034 113.051 108.800 0.361 0.000 2.673 690 G HA2 0.448 4.401 3.960 -0.013 0.000 0.292 690 G HA3 0.448 4.401 3.960 -0.013 0.000 0.292 690 G C -0.899 173.965 174.900 -0.060 0.000 1.450 690 G CA -0.480 44.756 45.100 0.227 0.000 0.837 690 G HN 0.590 nan 8.290 nan 0.000 0.505 691 T N -0.990 113.382 114.554 -0.304 0.000 2.849 691 T HA 0.484 4.826 4.350 -0.013 0.000 0.284 691 T C 0.789 175.384 174.700 -0.176 0.000 1.004 691 T CA -0.693 61.146 62.100 -0.434 0.000 1.021 691 T CB 1.086 69.709 68.868 -0.408 0.000 1.013 691 T HN 0.261 nan 8.240 nan 0.000 0.527 692 M N 2.937 122.439 119.600 -0.164 0.000 3.254 692 M HA 0.315 4.787 4.480 -0.013 0.000 0.257 692 M C -0.401 175.846 176.300 -0.089 0.000 1.490 692 M CA -0.014 55.219 55.300 -0.111 0.000 1.620 692 M CB -1.839 30.703 32.600 -0.098 0.000 1.157 692 M HN 0.736 nan 8.290 nan 0.000 0.541 693 D N 0.014 120.370 120.400 -0.074 0.000 2.732 693 D HA 0.667 5.299 4.640 -0.013 0.000 0.229 693 D C 0.712 176.993 176.300 -0.032 0.000 1.152 693 D CA 0.707 54.679 54.000 -0.047 0.000 0.854 693 D CB 1.712 42.487 40.800 -0.042 0.000 1.590 693 D HN 0.596 nan 8.370 nan 0.000 0.468 694 G N 1.765 110.555 108.800 -0.016 0.000 2.627 694 G HA2 -0.263 3.689 3.960 -0.013 0.000 0.312 694 G HA3 -0.263 3.689 3.960 -0.013 0.000 0.312 694 G C 1.065 175.960 174.900 -0.008 0.000 1.299 694 G CA 1.203 46.299 45.100 -0.007 0.000 0.989 694 G HN 1.080 nan 8.290 nan 0.000 0.547 695 A N -0.394 122.417 122.820 -0.015 0.000 2.168 695 A HA 0.082 4.394 4.320 -0.013 0.000 0.215 695 A C 2.126 179.649 177.584 -0.102 0.000 1.152 695 A CA 1.847 53.870 52.037 -0.023 0.000 0.716 695 A CB -0.457 18.522 19.000 -0.036 0.000 0.794 695 A HN 0.631 nan 8.150 nan 0.000 0.465 696 N N 0.585 119.231 118.700 -0.090 0.000 2.137 696 N HA -0.164 4.568 4.740 -0.013 0.000 0.190 696 N C 1.589 176.946 175.510 -0.254 0.000 1.017 696 N CA 1.637 54.618 53.050 -0.114 0.000 0.859 696 N CB -0.664 37.816 38.487 -0.011 0.000 1.002 696 N HN 0.289 nan 8.380 nan 0.000 0.428 697 V N 1.210 121.031 119.914 -0.156 0.000 2.287 697 V HA -0.220 3.892 4.120 -0.013 0.000 0.248 697 V C 2.010 178.023 176.094 -0.135 0.000 1.053 697 V CA 1.718 63.926 62.300 -0.152 0.000 1.027 697 V CB -0.471 31.305 31.823 -0.080 0.000 0.646 697 V HN 0.362 nan 8.190 nan 0.000 0.447 698 E N -0.674 119.505 120.200 -0.035 0.000 2.158 698 E HA -0.121 4.221 4.350 -0.013 0.000 0.191 698 E C 2.234 178.946 176.600 0.187 0.000 0.982 698 E CA 1.013 57.474 56.400 0.102 0.000 0.823 698 E CB -0.171 29.677 29.700 0.246 0.000 0.766 698 E HN 0.544 nan 8.360 nan 0.000 0.468 699 M N 0.519 120.120 119.600 0.001 0.000 2.086 699 M HA -0.158 4.314 4.480 -0.013 0.000 0.261 699 M C 2.520 178.656 176.300 -0.273 0.000 1.067 699 M CA 1.604 56.843 55.300 -0.102 0.000 1.116 699 M CB -0.249 32.175 32.600 -0.293 0.000 1.348 699 M HN 0.131 nan 8.290 nan 0.000 0.407 700 A N -0.091 122.281 122.820 -0.747 0.000 1.933 700 A HA -0.223 4.089 4.320 -0.013 0.000 0.218 700 A C 2.005 179.427 177.584 -0.269 0.000 1.175 700 A CA 2.000 53.580 52.037 -0.762 0.000 0.628 700 A CB -0.823 17.650 19.000 -0.879 0.000 0.814 700 A HN 0.602 nan 8.150 nan 0.000 0.444 701 E N -0.409 119.688 120.200 -0.172 0.000 2.077 701 E HA -0.215 4.127 4.350 -0.013 0.000 0.193 701 E C 1.807 178.390 176.600 -0.028 0.000 0.989 701 E CA 1.233 57.587 56.400 -0.077 0.000 0.800 701 E CB -0.095 29.575 29.700 -0.050 0.000 0.746 701 E HN 0.540 nan 8.360 nan 0.000 0.452 702 E N 0.268 120.482 120.200 0.023 0.000 2.051 702 E HA -0.160 4.182 4.350 -0.013 0.000 0.192 702 E C 1.911 178.540 176.600 0.048 0.000 0.991 702 E CA 1.241 57.671 56.400 0.051 0.000 0.799 702 E CB -0.294 29.490 29.700 0.139 0.000 0.748 702 E HN 0.379 nan 8.360 nan 0.000 0.449 703 A N 0.334 123.190 122.820 0.060 0.000 2.021 703 A HA 0.295 4.607 4.320 -0.013 0.000 0.216 703 A C 1.090 178.692 177.584 0.029 0.000 1.163 703 A CA 1.200 53.279 52.037 0.070 0.000 0.676 703 A CB -0.121 18.965 19.000 0.143 0.000 0.818 703 A HN 0.280 nan 8.150 nan 0.000 0.453 704 G N -0.695 108.102 108.800 -0.004 0.000 3.055 704 G HA2 -0.095 3.857 3.960 -0.013 0.000 0.686 704 G HA3 -0.095 3.857 3.960 -0.013 0.000 0.686 704 G C -0.012 174.875 174.900 -0.022 0.000 1.087 704 G CA 0.015 45.103 45.100 -0.020 0.000 0.779 704 G HN 0.246 nan 8.290 nan 0.000 0.599 705 E N 0.956 121.131 120.200 -0.042 0.000 2.209 705 E HA -0.176 4.167 4.350 -0.013 0.000 0.196 705 E C 2.038 178.624 176.600 -0.023 0.000 0.993 705 E CA 1.758 58.139 56.400 -0.032 0.000 0.819 705 E CB 0.078 29.755 29.700 -0.038 0.000 0.745 705 E HN 0.772 nan 8.360 nan 0.000 0.477 706 E N 0.652 120.825 120.200 -0.045 0.000 2.338 706 E HA -0.093 4.249 4.350 -0.013 0.000 0.197 706 E C 0.947 177.458 176.600 -0.149 0.000 1.007 706 E CA 0.641 56.991 56.400 -0.083 0.000 0.849 706 E CB -0.004 29.659 29.700 -0.060 0.000 0.774 706 E HN 0.143 nan 8.360 nan 0.000 0.506 707 N N -0.453 118.189 118.700 -0.097 0.000 2.238 707 N HA 0.158 4.891 4.740 -0.013 0.000 0.222 707 N C -1.019 174.421 175.510 -0.118 0.000 1.133 707 N CA 0.023 52.991 53.050 -0.136 0.000 0.854 707 N CB 0.461 38.919 38.487 -0.048 0.000 1.041 707 N HN 0.049 nan 8.380 nan 0.000 0.510 708 F N -0.299 119.449 119.950 -0.336 0.000 2.588 708 F HA 0.417 4.936 4.527 -0.014 0.000 0.310 708 F C -0.941 174.653 175.800 -0.343 0.000 1.082 708 F CA -1.077 56.771 58.000 -0.253 0.000 0.929 708 F CB 1.363 40.295 39.000 -0.113 0.000 1.254 708 F HN -0.221 nan 8.300 nan 0.000 0.455 709 F N 5.748 125.665 119.950 -0.055 0.000 2.359 709 F HA 0.433 4.952 4.527 -0.012 0.000 0.355 709 F C -0.154 175.778 175.800 0.220 0.000 1.132 709 F CA -0.388 57.641 58.000 0.049 0.000 1.246 709 F CB 0.061 39.033 39.000 -0.047 0.000 1.569 709 F HN 0.080 nan 8.300 nan 0.000 0.561 710 I N 4.065 124.858 120.570 0.371 0.000 2.396 710 I HA 0.385 4.547 4.170 -0.013 0.000 0.292 710 I C -0.288 176.033 176.117 0.341 0.000 0.999 710 I CA -0.671 60.821 61.300 0.319 0.000 1.310 710 I CB 0.865 38.973 38.000 0.180 0.000 1.404 710 I HN 0.323 nan 8.210 nan 0.000 0.496 711 F N 3.488 123.516 119.950 0.130 0.000 2.664 711 F HA 0.945 5.464 4.527 -0.013 0.000 0.317 711 F C -0.000 175.846 175.800 0.077 0.000 1.108 711 F CA -0.716 57.346 58.000 0.103 0.000 0.957 711 F CB 1.064 40.137 39.000 0.123 0.000 1.365 711 F HN 0.771 nan 8.300 nan 0.000 0.475 712 G N 1.003 109.861 108.800 0.097 0.000 2.710 712 G HA2 -0.057 3.895 3.960 -0.013 0.000 0.668 712 G HA3 -0.057 3.895 3.960 -0.013 0.000 0.668 712 G C -0.941 173.931 174.900 -0.047 0.000 1.320 712 G CA -0.681 44.418 45.100 -0.002 0.000 0.860 712 G HN 0.954 nan 8.290 nan 0.000 0.538 713 M N 0.946 120.530 119.600 -0.026 0.000 2.251 713 M HA 0.182 4.654 4.480 -0.013 0.000 0.343 713 M C 1.227 177.493 176.300 -0.056 0.000 1.245 713 M CA 0.056 55.347 55.300 -0.015 0.000 1.061 713 M CB 0.262 32.861 32.600 -0.000 0.000 1.723 713 M HN 0.514 nan 8.290 nan 0.000 0.449 714 R N 1.905 122.385 120.500 -0.033 0.000 2.583 714 R HA 0.225 4.557 4.340 -0.013 0.000 0.268 714 R C 1.247 177.529 176.300 -0.030 0.000 1.101 714 R CA -0.535 55.540 56.100 -0.041 0.000 1.180 714 R CB -0.081 30.202 30.300 -0.029 0.000 1.128 714 R HN 0.580 nan 8.270 nan 0.000 0.568 715 V N 1.536 121.430 119.914 -0.032 0.000 2.317 715 V HA -0.294 3.818 4.120 -0.013 0.000 0.251 715 V C 1.897 177.981 176.094 -0.017 0.000 1.065 715 V CA 2.138 64.423 62.300 -0.025 0.000 1.049 715 V CB -0.474 31.332 31.823 -0.028 0.000 0.651 715 V HN 0.634 nan 8.190 nan 0.000 0.450 716 E N 0.046 120.238 120.200 -0.014 0.000 2.110 716 E HA -0.179 4.163 4.350 -0.013 0.000 0.193 716 E C 1.962 178.566 176.600 0.007 0.000 0.988 716 E CA 1.365 57.762 56.400 -0.005 0.000 0.804 716 E CB -0.354 29.344 29.700 -0.004 0.000 0.745 716 E HN 0.640 nan 8.360 nan 0.000 0.458 717 D N -0.131 120.275 120.400 0.010 0.000 2.144 717 D HA -0.101 4.531 4.640 -0.013 0.000 0.200 717 D C 1.997 178.314 176.300 0.029 0.000 0.978 717 D CA 0.832 54.848 54.000 0.028 0.000 0.833 717 D CB -0.132 40.688 40.800 0.033 0.000 0.961 717 D HN 0.065 nan 8.370 nan 0.000 0.470 718 V N 1.893 121.812 119.914 0.008 0.000 2.295 718 V HA -0.222 3.891 4.120 -0.013 0.000 0.246 718 V C 1.987 178.083 176.094 0.003 0.000 1.049 718 V CA 1.746 64.043 62.300 -0.003 0.000 1.024 718 V CB -0.440 31.371 31.823 -0.020 0.000 0.648 718 V HN 0.023 nan 8.190 nan 0.000 0.447 719 D N -0.135 120.266 120.400 0.002 0.000 2.123 719 D HA -0.161 4.471 4.640 -0.013 0.000 0.196 719 D C 2.411 178.723 176.300 0.019 0.000 0.992 719 D CA 1.288 55.291 54.000 0.004 0.000 0.833 719 D CB -0.283 40.516 40.800 -0.002 0.000 0.954 719 D HN 0.343 nan 8.370 nan 0.000 0.455 720 R N 0.036 120.553 120.500 0.027 0.000 2.091 720 R HA -0.049 4.284 4.340 -0.013 0.000 0.238 720 R C 2.499 178.835 176.300 0.059 0.000 1.136 720 R CA 0.600 56.724 56.100 0.040 0.000 0.959 720 R CB -0.371 29.955 30.300 0.043 0.000 0.856 720 R HN 0.206 nan 8.270 nan 0.000 0.437 721 L N 0.531 121.799 121.223 0.075 0.000 2.093 721 L HA -0.202 4.131 4.340 -0.013 0.000 0.208 721 L C 1.479 178.414 176.870 0.109 0.000 1.085 721 L CA 1.310 56.221 54.840 0.118 0.000 0.755 721 L CB -0.268 41.878 42.059 0.145 0.000 0.904 721 L HN 0.234 nan 8.230 nan 0.000 0.435 722 D N -0.523 119.916 120.400 0.065 0.000 2.144 722 D HA -0.203 4.429 4.640 -0.013 0.000 0.199 722 D C 2.219 178.549 176.300 0.049 0.000 0.984 722 D CA 1.084 55.114 54.000 0.051 0.000 0.834 722 D CB -0.007 40.802 40.800 0.016 0.000 0.955 722 D HN 0.433 nan 8.370 nan 0.000 0.465 723 Q N 0.005 119.830 119.800 0.042 0.000 2.079 723 Q HA -0.055 4.278 4.340 -0.013 0.000 0.200 723 Q C 2.255 178.281 176.000 0.042 0.000 0.974 723 Q CA 0.853 56.678 55.803 0.035 0.000 0.840 723 Q CB 0.061 28.817 28.738 0.029 0.000 0.898 723 Q HN 0.134 nan 8.270 nan 0.000 0.430 724 R N -0.488 120.044 120.500 0.054 0.000 2.115 724 R HA 0.017 4.350 4.340 -0.013 0.000 0.226 724 R C 0.038 176.375 176.300 0.062 0.000 1.100 724 R CA 0.810 56.943 56.100 0.055 0.000 0.980 724 R CB 0.261 30.601 30.300 0.066 0.000 0.875 724 R HN 0.299 nan 8.270 nan 0.000 0.445 725 G N -0.296 108.555 108.800 0.085 0.000 3.355 725 G HA2 -0.255 3.697 3.960 -0.013 0.000 0.686 725 G HA3 -0.255 3.697 3.960 -0.013 0.000 0.686 725 G C -1.395 173.595 174.900 0.150 0.000 1.097 725 G CA -0.602 44.556 45.100 0.097 0.000 0.881 725 G HN 0.247 nan 8.290 nan 0.000 0.550 726 Y N 3.742 124.072 120.300 0.049 0.000 2.486 726 Y HA 0.510 5.052 4.550 -0.012 0.000 0.348 726 Y C 0.569 176.518 175.900 0.082 0.000 1.000 726 Y CA -0.660 57.488 58.100 0.080 0.000 1.253 726 Y CB 0.751 39.240 38.460 0.049 0.000 1.140 726 Y HN 0.577 nan 8.280 nan 0.000 0.526 727 N N 5.223 123.722 118.700 -0.335 0.000 2.558 727 N HA 0.324 5.057 4.740 -0.013 0.000 0.242 727 N C 0.331 175.592 175.510 -0.416 0.000 0.979 727 N CA 0.227 53.077 53.050 -0.333 0.000 0.931 727 N CB 1.171 39.583 38.487 -0.126 0.000 1.122 727 N HN 0.882 nan 8.380 nan 0.000 0.508 728 A N 3.073 125.544 122.820 -0.581 0.000 1.972 728 A HA -0.224 4.088 4.320 -0.013 0.000 0.219 728 A C 2.016 179.734 177.584 0.222 0.000 1.169 728 A CA 1.319 53.243 52.037 -0.188 0.000 0.635 728 A CB -0.422 18.388 19.000 -0.316 0.000 0.810 728 A HN 0.777 nan 8.150 nan 0.000 0.446 729 Q N 0.224 120.043 119.800 0.032 0.000 2.112 729 Q HA -0.251 4.081 4.340 -0.013 0.000 0.206 729 Q C 1.891 177.966 176.000 0.124 0.000 0.987 729 Q CA 2.363 58.205 55.803 0.066 0.000 0.858 729 Q CB -0.374 28.351 28.738 -0.022 0.000 0.905 729 Q HN 0.776 nan 8.270 nan 0.000 0.420 730 E N -1.407 118.806 120.200 0.022 0.000 2.097 730 E HA -0.257 4.085 4.350 -0.013 0.000 0.196 730 E C 1.577 178.107 176.600 -0.118 0.000 1.000 730 E CA 1.605 57.947 56.400 -0.098 0.000 0.804 730 E CB -0.241 29.307 29.700 -0.255 0.000 0.740 730 E HN 0.605 nan 8.360 nan 0.000 0.454 731 Y N -1.141 119.226 120.300 0.112 0.000 2.163 731 Y HA -0.201 4.341 4.550 -0.013 0.000 0.288 731 Y C 2.241 178.138 175.900 -0.006 0.000 1.136 731 Y CA 1.517 59.670 58.100 0.089 0.000 1.147 731 Y CB -0.730 37.841 38.460 0.184 0.000 0.987 731 Y HN 0.221 nan 8.280 nan 0.000 0.509 732 Y N 1.382 121.708 120.300 0.043 0.000 2.165 732 Y HA -0.291 4.252 4.550 -0.013 0.000 0.286 732 Y C 1.766 177.632 175.900 -0.057 0.000 1.155 732 Y CA 1.904 59.952 58.100 -0.087 0.000 1.164 732 Y CB -0.403 38.064 38.460 0.011 0.000 0.978 732 Y HN 0.096 nan 8.280 nan 0.000 0.513 733 D N -0.459 120.039 120.400 0.164 0.000 2.183 733 D HA -0.077 4.556 4.640 -0.013 0.000 0.203 733 D C 1.810 178.090 176.300 -0.033 0.000 0.969 733 D CA 1.168 55.209 54.000 0.068 0.000 0.842 733 D CB -0.072 40.782 40.800 0.090 0.000 0.957 733 D HN 0.478 nan 8.370 nan 0.000 0.484 734 R N -0.248 120.230 120.500 -0.037 0.000 2.334 734 R HA 0.292 4.625 4.340 -0.013 0.000 0.212 734 R C 0.290 176.570 176.300 -0.033 0.000 0.897 734 R CA 0.057 56.135 56.100 -0.038 0.000 1.056 734 R CB 1.201 31.476 30.300 -0.042 0.000 1.046 734 R HN 0.138 nan 8.270 nan 0.000 0.513 735 I N 2.102 122.633 120.570 -0.064 0.000 2.464 735 I HA 0.235 4.398 4.170 -0.013 0.000 0.277 735 I C -1.981 174.045 176.117 -0.152 0.000 1.040 735 I CA -2.319 58.946 61.300 -0.058 0.000 1.153 735 I CB 2.079 40.081 38.000 0.003 0.000 1.274 735 I HN -0.300 nan 8.210 nan 0.000 0.469 736 P HA -0.159 nan 4.420 nan 0.000 0.216 736 P C 1.209 178.417 177.300 -0.153 0.000 1.150 736 P CA 1.368 64.379 63.100 -0.148 0.000 0.837 736 P CB 0.322 31.968 31.700 -0.091 0.000 0.786 737 E N -1.040 119.105 120.200 -0.091 0.000 2.106 737 E HA -0.157 4.186 4.350 -0.013 0.000 0.192 737 E C 1.857 178.361 176.600 -0.160 0.000 0.984 737 E CA 0.638 57.000 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 0.115 nan 8.360 nan 0.000 0.458 738 L N 1.170 122.212 121.223 -0.302 0.000 2.056 738 L HA -0.134 4.199 4.340 -0.013 0.000 0.207 738 L C 2.362 178.962 176.870 -0.450 0.000 1.078 738 L CA 1.606 56.105 54.840 -0.568 0.000 0.749 738 L CB -0.265 41.312 42.059 -0.804 0.000 0.901 738 L HN -0.087 nan 8.230 nan 0.000 0.433 739 R N -0.834 119.375 120.500 -0.486 0.000 2.083 739 R HA -0.257 4.076 4.340 -0.013 0.000 0.237 739 R C 2.408 178.533 176.300 -0.293 0.000 1.137 739 R CA 2.072 57.799 56.100 -0.622 0.000 0.951 739 R CB -0.360 29.521 30.300 -0.699 0.000 0.851 739 R HN 0.611 nan 8.270 nan 0.000 0.434 740 Q N 0.410 120.080 119.800 -0.216 0.000 2.061 740 Q HA -0.196 4.137 4.340 -0.013 0.000 0.204 740 Q C 2.049 177.999 176.000 -0.084 0.000 0.984 740 Q CA 2.062 57.785 55.803 -0.133 0.000 0.846 740 Q CB -0.131 28.531 28.738 -0.126 0.000 0.902 740 Q HN 0.476 nan 8.270 nan 0.000 0.421 741 I N 0.590 121.108 120.570 -0.085 0.000 2.179 741 I HA -0.281 3.882 4.170 -0.013 0.000 0.242 741 I C 2.127 178.271 176.117 0.045 0.000 1.088 741 I CA 0.627 61.919 61.300 -0.012 0.000 1.357 741 I CB -0.315 37.653 38.000 -0.055 0.000 1.051 741 I HN 0.310 nan 8.210 nan 0.000 0.409 742 I N 0.860 121.451 120.570 0.035 0.000 2.226 742 I HA -0.249 3.914 4.170 -0.013 0.000 0.245 742 I C 2.468 178.688 176.117 0.171 0.000 1.100 742 I CA 1.669 63.061 61.300 0.153 0.000 1.374 742 I CB -1.337 36.844 38.000 0.302 0.000 1.057 742 I HN 0.346 nan 8.210 nan 0.000 0.413 743 E N 0.376 120.653 120.200 0.128 0.000 2.077 743 E HA -0.249 4.093 4.350 -0.013 0.000 0.193 743 E C 2.193 178.862 176.600 0.114 0.000 0.989 743 E CA 1.078 57.546 56.400 0.114 0.000 0.800 743 E CB -0.134 29.599 29.700 0.056 0.000 0.746 743 E HN 0.579 nan 8.360 nan 0.000 0.452 744 Q N 0.464 120.319 119.800 0.091 0.000 2.050 744 Q HA -0.155 4.178 4.340 -0.013 0.000 0.202 744 Q C 2.397 178.594 176.000 0.328 0.000 0.980 744 Q CA 1.112 56.998 55.803 0.137 0.000 0.840 744 Q CB -0.097 28.676 28.738 0.059 0.000 0.898 744 Q HN 0.302 nan 8.270 nan 0.000 0.424 745 L N -0.033 121.385 121.223 0.325 0.000 2.012 745 L HA -0.217 4.115 4.340 -0.013 0.000 0.210 745 L C 2.477 179.538 176.870 0.318 0.000 1.073 745 L CA 1.084 56.127 54.840 0.338 0.000 0.748 745 L CB -0.448 41.723 42.059 0.187 0.000 0.891 745 L HN 0.164 nan 8.230 nan 0.000 0.431 746 S N -0.302 115.539 115.700 0.236 0.000 2.368 746 S HA -0.151 4.311 4.470 -0.013 0.000 0.225 746 S C 2.083 176.791 174.600 0.179 0.000 1.030 746 S CA 1.558 59.876 58.200 0.196 0.000 0.999 746 S CB -0.201 63.094 63.200 0.160 0.000 0.844 746 S HN 0.615 nan 8.310 nan 0.000 0.459 747 S N 0.289 116.097 115.700 0.179 0.000 2.527 747 S HA 0.326 4.788 4.470 -0.013 0.000 0.222 747 S C 1.395 176.091 174.600 0.159 0.000 0.985 747 S CA 0.690 58.980 58.200 0.149 0.000 0.921 747 S CB -0.001 63.278 63.200 0.132 0.000 0.772 747 S HN 0.815 nan 8.310 nan 0.000 0.529 748 G N 0.648 109.577 108.800 0.215 0.000 2.130 748 G HA2 -0.268 3.685 3.960 -0.013 0.000 0.216 748 G HA3 -0.268 3.685 3.960 -0.013 0.000 0.216 748 G C 0.139 175.142 174.900 0.170 0.000 0.999 748 G CA 0.085 45.301 45.100 0.194 0.000 0.686 748 G HN 0.508 nan 8.290 nan 0.000 0.515 749 F N 0.129 120.099 119.950 0.033 0.000 2.171 749 F HA 0.187 4.707 4.527 -0.013 0.000 0.300 749 F C 1.895 177.516 175.800 -0.299 0.000 1.090 749 F CA 1.940 59.839 58.000 -0.168 0.000 1.293 749 F CB -0.023 38.804 39.000 -0.288 0.000 1.013 749 F HN 0.184 nan 8.300 nan 0.000 0.486 750 F N -0.361 119.705 119.950 0.193 0.000 2.727 750 F HA 0.192 4.712 4.527 -0.013 0.000 0.302 750 F C 0.657 176.556 175.800 0.166 0.000 1.097 750 F CA 0.207 58.279 58.000 0.120 0.000 1.330 750 F CB -0.065 39.028 39.000 0.156 0.000 1.084 750 F HN -0.054 nan 8.300 nan 0.000 0.578 751 S N -1.761 114.082 115.700 0.239 0.000 2.440 751 S HA 0.321 4.783 4.470 -0.013 0.000 0.142 751 S C -2.441 172.174 174.600 0.025 0.000 1.578 751 S CA -1.057 57.205 58.200 0.103 0.000 1.260 751 S CB 0.942 64.153 63.200 0.018 0.000 1.407 751 S HN -0.184 nan 8.310 nan 0.000 0.392 752 P HA -0.070 nan 4.420 nan 0.000 0.216 752 P C 1.011 178.300 177.300 -0.019 0.000 1.150 752 P CA 1.272 64.349 63.100 -0.040 0.000 0.837 752 P CB 0.102 31.754 31.700 -0.081 0.000 0.786 753 K N -1.365 119.023 120.400 -0.019 0.000 2.361 753 K HA 0.053 4.366 4.320 -0.013 0.000 0.196 753 K C 0.606 177.202 176.600 -0.007 0.000 1.039 753 K CA 0.612 56.892 56.287 -0.012 0.000 1.001 753 K CB 0.162 32.655 32.500 -0.012 0.000 0.795 753 K HN 0.260 nan 8.250 nan 0.000 0.495 754 Q N -0.141 119.651 119.800 -0.012 0.000 3.064 754 Q HA 0.155 4.487 4.340 -0.013 0.000 0.258 754 Q C -2.376 173.613 176.000 -0.018 0.000 0.972 754 Q CA -1.598 54.194 55.803 -0.019 0.000 0.761 754 Q CB 1.489 30.207 28.738 -0.033 0.000 1.281 754 Q HN -0.077 nan 8.270 nan 0.000 0.455 755 P HA -0.200 nan 4.420 nan 0.000 0.219 755 P C 0.579 177.914 177.300 0.059 0.000 1.146 755 P CA 1.339 64.467 63.100 0.046 0.000 0.808 755 P CB 0.221 31.950 31.700 0.048 0.000 0.779 756 D N -1.380 119.038 120.400 0.029 0.000 2.342 756 D HA -0.002 4.631 4.640 -0.013 0.000 0.221 756 D C 1.617 177.917 176.300 -0.000 0.000 1.101 756 D CA -0.239 53.786 54.000 0.042 0.000 0.837 756 D CB -0.676 40.149 40.800 0.042 0.000 0.938 756 D HN 0.027 nan 8.370 nan 0.000 0.508 757 L N 0.004 121.159 121.223 -0.113 0.000 2.043 757 L HA -0.090 4.243 4.340 -0.013 0.000 0.212 757 L C 1.232 177.910 176.870 -0.319 0.000 1.075 757 L CA 1.698 56.355 54.840 -0.304 0.000 0.752 757 L CB -0.609 41.070 42.059 -0.633 0.000 0.891 757 L HN -0.016 nan 8.230 nan 0.000 0.432 758 F N -0.702 119.307 119.950 0.098 0.000 2.668 758 F HA 0.122 4.642 4.527 -0.012 0.000 0.297 758 F C 1.845 177.702 175.800 0.094 0.000 1.124 758 F CA -0.135 57.914 58.000 0.081 0.000 1.353 758 F CB -0.298 38.739 39.000 0.061 0.000 0.992 758 F HN 0.115 nan 8.300 nan 0.000 0.524 759 K N -0.388 120.135 120.400 0.206 0.000 2.097 759 K HA -0.176 4.137 4.320 -0.013 0.000 0.206 759 K C 1.021 177.728 176.600 0.179 0.000 1.049 759 K CA 1.893 58.284 56.287 0.173 0.000 0.933 759 K CB -0.247 32.328 32.500 0.126 0.000 0.717 759 K HN 0.054 nan 8.250 nan 0.000 0.442 760 D N 1.318 121.833 120.400 0.192 0.000 2.117 760 D HA -0.101 4.531 4.640 -0.013 0.000 0.197 760 D C 2.020 178.434 176.300 0.189 0.000 0.987 760 D CA 1.175 55.296 54.000 0.202 0.000 0.829 760 D CB -0.123 40.835 40.800 0.263 0.000 0.961 760 D HN 0.302 nan 8.370 nan 0.000 0.460 761 I N 0.394 121.080 120.570 0.193 0.000 2.202 761 I HA -0.221 3.941 4.170 -0.013 0.000 0.242 761 I C 2.446 178.634 176.117 0.119 0.000 1.091 761 I CA 0.597 61.983 61.300 0.143 0.000 1.368 761 I CB -0.231 37.843 38.000 0.124 0.000 1.058 761 I HN -0.113 nan 8.210 nan 0.000 0.410 762 V N 1.261 121.261 119.914 0.143 0.000 2.287 762 V HA -0.299 3.814 4.120 -0.013 0.000 0.248 762 V C 2.198 178.335 176.094 0.071 0.000 1.053 762 V CA 2.076 64.446 62.300 0.117 0.000 1.027 762 V CB -0.913 30.995 31.823 0.142 0.000 0.646 762 V HN 0.437 nan 8.190 nan 0.000 0.447 763 N N -0.345 118.432 118.700 0.128 0.000 2.069 763 N HA -0.185 4.547 4.740 -0.013 0.000 0.191 763 N C 1.780 177.392 175.510 0.170 0.000 1.031 763 N CA 1.661 54.824 53.050 0.189 0.000 0.852 763 N CB -0.487 38.154 38.487 0.256 0.000 1.018 763 N HN 0.345 nan 8.380 nan 0.000 0.423 764 M N 0.175 119.880 119.600 0.174 0.000 2.080 764 M HA -0.109 4.363 4.480 -0.013 0.000 0.260 764 M C 1.422 177.732 176.300 0.017 0.000 1.068 764 M CA 1.328 56.730 55.300 0.171 0.000 1.109 764 M CB -0.511 32.187 32.600 0.162 0.000 1.342 764 M HN 0.035 nan 8.290 nan 0.000 0.405 765 L N 0.564 121.744 121.223 -0.073 0.000 2.046 765 L HA -0.197 4.135 4.340 -0.013 0.000 0.208 765 L C 2.450 179.031 176.870 -0.482 0.000 1.077 765 L CA 1.594 56.254 54.840 -0.301 0.000 0.747 765 L CB -1.153 40.754 42.059 -0.254 0.000 0.896 765 L HN 0.343 nan 8.230 nan 0.000 0.432 766 M N -1.821 117.548 119.600 -0.385 0.000 2.236 766 M HA -0.070 4.403 4.480 -0.013 0.000 0.266 766 M C 1.802 177.664 176.300 -0.730 0.000 1.070 766 M CA 1.454 56.405 55.300 -0.582 0.000 1.137 766 M CB -0.771 31.370 32.600 -0.765 0.000 1.378 766 M HN 0.339 nan 8.290 nan 0.000 0.426 767 H N -2.444 116.467 119.070 -0.264 0.000 3.205 767 H HA 0.274 4.822 4.556 -0.012 0.000 0.252 767 H C 0.277 175.187 175.328 -0.696 0.000 1.015 767 H CA 0.392 56.122 56.048 -0.530 0.000 1.192 767 H CB 0.727 30.047 29.762 -0.737 0.000 1.474 767 H HN 0.423 nan 8.280 nan 0.000 0.484 768 H N 0.452 119.578 119.070 0.094 0.000 2.901 768 H HA 0.142 4.691 4.556 -0.013 0.000 0.227 768 H C -0.726 174.629 175.328 0.044 0.000 1.390 768 H CA -0.232 55.862 56.048 0.076 0.000 1.120 768 H CB 1.005 30.816 29.762 0.082 0.000 2.131 768 H HN 0.104 nan 8.280 nan 0.000 0.549 769 D N 1.323 121.783 120.400 0.101 0.000 2.411 769 D HA 0.122 4.755 4.640 -0.013 0.000 0.225 769 D C 1.180 177.430 176.300 -0.083 0.000 1.156 769 D CA -0.365 53.661 54.000 0.044 0.000 0.874 769 D CB 0.611 41.419 40.800 0.012 0.000 1.034 769 D HN 0.213 nan 8.370 nan 0.000 0.502 770 R N 2.262 122.613 120.500 -0.249 0.000 2.237 770 R HA -0.053 4.279 4.340 -0.013 0.000 0.219 770 R C 0.584 176.378 176.300 -0.843 0.000 1.080 770 R CA 0.920 56.647 56.100 -0.621 0.000 0.995 770 R CB 0.079 29.794 30.300 -0.974 0.000 0.875 770 R HN 0.406 nan 8.270 nan 0.000 0.462 771 F N 0.194 120.098 119.950 -0.077 0.000 2.661 771 F HA 0.280 4.799 4.527 -0.012 0.000 0.306 771 F C 0.087 175.765 175.800 -0.203 0.000 1.094 771 F CA -0.687 57.257 58.000 -0.094 0.000 1.254 771 F CB 0.260 39.266 39.000 0.009 0.000 1.040 771 F HN -0.244 nan 8.300 nan 0.000 0.562 772 K N -0.426 119.781 120.400 -0.322 0.000 3.096 772 K HA -0.178 4.134 4.320 -0.013 0.000 0.266 772 K C 1.004 177.483 176.600 -0.203 0.000 1.043 772 K CA 0.234 56.143 56.287 -0.631 0.000 0.758 772 K CB -1.932 30.152 32.500 -0.694 0.000 1.260 772 K HN 0.208 nan 8.250 nan 0.000 0.481 773 V N -0.009 119.870 119.914 -0.058 0.000 2.282 773 V HA -0.303 3.809 4.120 -0.013 0.000 0.249 773 V C 1.963 178.206 176.094 0.249 0.000 1.057 773 V CA 2.411 64.761 62.300 0.083 0.000 1.032 773 V CB -0.511 31.362 31.823 0.084 0.000 0.645 773 V HN 0.472 nan 8.190 nan 0.000 0.447 774 F N 0.145 120.104 119.950 0.015 0.000 2.171 774 F HA -0.174 4.346 4.527 -0.013 0.000 0.300 774 F C 2.540 178.136 175.800 -0.339 0.000 1.090 774 F CA 0.659 58.609 58.000 -0.082 0.000 1.293 774 F CB -0.399 38.563 39.000 -0.063 0.000 1.013 774 F HN 0.198 nan 8.300 nan 0.000 0.486 775 A N -0.467 122.184 122.820 -0.281 0.000 2.019 775 A HA -0.201 4.111 4.320 -0.013 0.000 0.219 775 A C 1.462 179.043 177.584 -0.006 0.000 1.164 775 A CA 1.905 53.697 52.037 -0.410 0.000 0.644 775 A CB -0.476 18.438 19.000 -0.144 0.000 0.805 775 A HN 0.242 nan 8.150 nan 0.000 0.449 776 D N -2.820 117.637 120.400 0.096 0.000 2.369 776 D HA 0.083 4.716 4.640 -0.013 0.000 0.211 776 D C 1.173 177.638 176.300 0.276 0.000 1.077 776 D CA -0.009 54.125 54.000 0.223 0.000 0.842 776 D CB -0.116 40.837 40.800 0.254 0.000 0.947 776 D HN 0.603 nan 8.370 nan 0.000 0.509 777 Y N 2.096 122.479 120.300 0.137 0.000 2.097 777 Y HA -0.214 4.329 4.550 -0.012 0.000 0.282 777 Y C 2.077 178.059 175.900 0.137 0.000 1.152 777 Y CA 1.863 60.053 58.100 0.150 0.000 1.136 777 Y CB 0.186 38.702 38.460 0.094 0.000 0.975 777 Y HN -0.110 nan 8.280 nan 0.000 0.498 778 E N -0.017 120.237 120.200 0.090 0.000 2.051 778 E HA -0.239 4.104 4.350 -0.013 0.000 0.192 778 E C 2.186 178.749 176.600 -0.061 0.000 0.991 778 E CA 1.516 57.901 56.400 -0.025 0.000 0.799 778 E CB -0.181 29.609 29.700 0.150 0.000 0.748 778 E HN 0.630 nan 8.360 nan 0.000 0.449 779 E N -0.142 120.100 120.200 0.070 0.000 2.110 779 E HA -0.208 4.135 4.350 -0.013 0.000 0.193 779 E C 1.943 178.531 176.600 -0.021 0.000 0.988 779 E CA 0.846 57.310 56.400 0.107 0.000 0.804 779 E CB -0.137 29.723 29.700 0.267 0.000 0.745 779 E HN 0.264 nan 8.360 nan 0.000 0.458 780 Y N 1.211 121.310 120.300 -0.336 0.000 2.163 780 Y HA -0.215 4.328 4.550 -0.013 0.000 0.288 780 Y C 2.142 177.645 175.900 -0.661 0.000 1.136 780 Y CA 0.980 58.555 58.100 -0.876 0.000 1.147 780 Y CB -0.504 37.478 38.460 -0.797 0.000 0.987 780 Y HN -0.207 nan 8.280 nan 0.000 0.509 781 V N 0.614 120.156 119.914 -0.619 0.000 2.343 781 V HA -0.324 3.789 4.120 -0.013 0.000 0.247 781 V C 2.276 178.134 176.094 -0.392 0.000 1.051 781 V CA 2.398 64.353 62.300 -0.576 0.000 1.036 781 V CB -0.609 30.899 31.823 -0.524 0.000 0.654 781 V HN 0.303 nan 8.190 nan 0.000 0.451 782 K N -0.881 119.358 120.400 -0.268 0.000 2.057 782 K HA -0.199 4.113 4.320 -0.013 0.000 0.207 782 K C 2.292 178.803 176.600 -0.150 0.000 1.049 782 K CA 1.692 57.888 56.287 -0.151 0.000 0.931 782 K CB -0.652 31.808 32.500 -0.067 0.000 0.714 782 K HN 0.520 nan 8.250 nan 0.000 0.440 783 C N 1.381 120.568 119.300 -0.188 0.000 2.413 783 C HA -0.123 4.330 4.460 -0.013 0.000 0.276 783 C C 2.619 177.437 174.990 -0.287 0.000 1.248 783 C CA 0.903 59.840 59.018 -0.135 0.000 1.742 783 C CB -0.667 27.010 27.740 -0.105 0.000 2.017 783 C HN 0.445 nan 8.230 nan 0.000 0.481 784 Q N 0.418 119.899 119.800 -0.531 0.000 2.181 784 Q HA -0.183 4.149 4.340 -0.013 0.000 0.205 784 Q C 1.984 177.790 176.000 -0.323 0.000 0.980 784 Q CA 1.697 57.147 55.803 -0.589 0.000 0.862 784 Q CB -0.437 27.701 28.738 -1.001 0.000 0.905 784 Q HN 0.762 nan 8.270 nan 0.000 0.429 785 E N 0.172 120.241 120.200 -0.218 0.000 2.110 785 E HA -0.140 4.202 4.350 -0.013 0.000 0.193 785 E C 2.088 178.652 176.600 -0.059 0.000 0.988 785 E CA 0.593 56.928 56.400 -0.108 0.000 0.804 785 E CB -0.031 29.624 29.700 -0.074 0.000 0.745 785 E HN 0.273 nan 8.360 nan 0.000 0.458 786 R N 0.476 120.952 120.500 -0.040 0.000 2.115 786 R HA -0.079 4.253 4.340 -0.013 0.000 0.230 786 R C 2.431 178.768 176.300 0.063 0.000 1.111 786 R CA 0.859 57.010 56.100 0.084 0.000 0.976 786 R CB -0.331 30.095 30.300 0.210 0.000 0.870 786 R HN 0.067 nan 8.270 nan 0.000 0.445 787 V N 0.742 120.475 119.914 -0.301 0.000 2.261 787 V HA -0.260 3.853 4.120 -0.013 0.000 0.246 787 V C 2.227 178.305 176.094 -0.027 0.000 1.047 787 V CA 2.056 64.067 62.300 -0.483 0.000 1.015 787 V CB -0.454 30.961 31.823 -0.679 0.000 0.642 787 V HN 0.286 nan 8.190 nan 0.000 0.446 788 S N 0.082 115.736 115.700 -0.077 0.000 2.370 788 S HA -0.203 4.260 4.470 -0.013 0.000 0.226 788 S C 2.216 176.875 174.600 0.097 0.000 1.033 788 S CA 1.442 59.632 58.200 -0.016 0.000 1.011 788 S CB -0.567 62.598 63.200 -0.058 0.000 0.852 788 S HN 0.660 nan 8.310 nan 0.000 0.457 789 A N 1.545 124.427 122.820 0.104 0.000 1.865 789 A HA -0.061 4.251 4.320 -0.013 0.000 0.217 789 A C 2.115 179.821 177.584 0.203 0.000 1.191 789 A CA 1.286 53.407 52.037 0.140 0.000 0.623 789 A CB -0.835 18.239 19.000 0.123 0.000 0.826 789 A HN 0.462 nan 8.150 nan 0.000 0.444 790 L N -2.094 119.312 121.223 0.306 0.000 2.093 790 L HA -0.166 4.167 4.340 -0.013 0.000 0.208 790 L C 2.482 179.636 176.870 0.472 0.000 1.085 790 L CA 1.885 56.981 54.840 0.427 0.000 0.755 790 L CB -0.400 42.031 42.059 0.621 0.000 0.904 790 L HN 0.621 nan 8.230 nan 0.000 0.435 791 Y N 0.924 121.358 120.300 0.224 0.000 2.352 791 Y HA -0.227 4.316 4.550 -0.011 0.000 0.292 791 Y C 2.423 178.258 175.900 -0.109 0.000 1.136 791 Y CA 1.430 59.408 58.100 -0.204 0.000 1.227 791 Y CB -0.032 38.066 38.460 -0.604 0.000 0.991 791 Y HN 0.074 nan 8.280 nan 0.000 0.545 792 K N -0.181 120.271 120.400 0.087 0.000 2.281 792 K HA -0.178 4.134 4.320 -0.013 0.000 0.203 792 K C 0.424 177.013 176.600 -0.019 0.000 1.046 792 K CA 1.006 57.322 56.287 0.048 0.000 0.938 792 K CB -0.176 32.388 32.500 0.107 0.000 0.737 792 K HN 0.089 nan 8.250 nan 0.000 0.458 793 N N 0.465 119.171 118.700 0.010 0.000 2.898 793 N HA 0.126 4.858 4.740 -0.013 0.000 0.245 793 N C -2.408 173.110 175.510 0.013 0.000 1.185 793 N CA -2.258 50.802 53.050 0.017 0.000 0.879 793 N CB 1.202 39.730 38.487 0.068 0.000 1.157 793 N HN -0.192 nan 8.380 nan 0.000 0.503 794 P HA -0.143 nan 4.420 nan 0.000 0.216 794 P C 1.365 178.681 177.300 0.027 0.000 1.150 794 P CA 0.967 63.999 63.100 -0.113 0.000 0.843 794 P CB 0.434 32.030 31.700 -0.173 0.000 0.787 795 R N 0.119 120.632 120.500 0.022 0.000 2.075 795 R HA -0.131 4.201 4.340 -0.013 0.000 0.232 795 R C 1.898 178.240 176.300 0.071 0.000 1.126 795 R CA 1.311 57.434 56.100 0.038 0.000 0.963 795 R CB -0.297 30.016 30.300 0.022 0.000 0.858 795 R HN 0.072 nan 8.270 nan 0.000 0.435 796 E N -0.099 120.154 120.200 0.089 0.000 2.158 796 E HA -0.204 4.139 4.350 -0.013 0.000 0.191 796 E C 1.574 178.254 176.600 0.134 0.000 0.982 796 E CA 0.539 56.996 56.400 0.094 0.000 0.823 796 E CB -0.397 29.357 29.700 0.090 0.000 0.766 796 E HN 0.497 nan 8.360 nan 0.000 0.468 797 W N 2.202 123.504 121.300 0.003 0.000 2.333 797 W HA -0.200 4.452 4.660 -0.014 0.000 0.316 797 W C 1.628 178.156 176.519 0.016 0.000 1.215 797 W CA 2.191 59.553 57.345 0.028 0.000 1.278 797 W CB -0.424 29.021 29.460 -0.024 0.000 1.154 797 W HN 0.036 nan 8.180 nan 0.000 0.486 798 T N 1.163 115.852 114.554 0.225 0.000 2.788 798 T HA -0.176 4.167 4.350 -0.013 0.000 0.268 798 T C 1.846 176.554 174.700 0.014 0.000 1.044 798 T CA 1.763 63.925 62.100 0.104 0.000 1.139 798 T CB -0.337 68.577 68.868 0.077 0.000 0.867 798 T HN 0.176 nan 8.240 nan 0.000 0.454 799 R N 0.492 121.008 120.500 0.026 0.000 2.081 799 R HA 0.048 4.381 4.340 -0.013 0.000 0.235 799 R C 2.523 178.814 176.300 -0.015 0.000 1.131 799 R CA 1.328 57.441 56.100 0.023 0.000 0.960 799 R CB -0.365 29.955 30.300 0.033 0.000 0.856 799 R HN 0.365 nan 8.270 nan 0.000 0.436 800 M N 0.495 120.051 119.600 -0.073 0.000 2.175 800 M HA -0.140 4.333 4.480 -0.013 0.000 0.264 800 M C 1.960 178.170 176.300 -0.150 0.000 1.063 800 M CA 1.369 56.590 55.300 -0.133 0.000 1.119 800 M CB 0.162 32.630 32.600 -0.220 0.000 1.377 800 M HN -0.005 nan 8.290 nan 0.000 0.415 801 V N 0.979 120.780 119.914 -0.188 0.000 2.287 801 V HA -0.323 3.790 4.120 -0.013 0.000 0.248 801 V C 2.201 178.276 176.094 -0.031 0.000 1.053 801 V CA 2.085 64.307 62.300 -0.130 0.000 1.027 801 V CB -0.635 31.131 31.823 -0.096 0.000 0.646 801 V HN 0.507 nan 8.190 nan 0.000 0.447 802 I N -0.661 119.911 120.570 0.004 0.000 2.264 802 I HA -0.254 3.908 4.170 -0.013 0.000 0.248 802 I C 2.687 178.853 176.117 0.082 0.000 1.111 802 I CA 1.573 62.925 61.300 0.086 0.000 1.382 802 I CB -0.419 37.685 38.000 0.174 0.000 1.060 802 I HN 0.190 nan 8.210 nan 0.000 0.418 803 R N 0.419 120.945 120.500 0.042 0.000 2.148 803 R HA -0.096 4.236 4.340 -0.013 0.000 0.227 803 R C 2.022 178.350 176.300 0.046 0.000 1.103 803 R CA 1.068 57.191 56.100 0.038 0.000 0.983 803 R CB -0.358 29.949 30.300 0.012 0.000 0.874 803 R HN 0.535 nan 8.270 nan 0.000 0.451 804 N N 0.601 119.321 118.700 0.034 0.000 2.109 804 N HA -0.091 4.642 4.740 -0.013 0.000 0.188 804 N C 1.950 177.512 175.510 0.087 0.000 1.034 804 N CA 1.112 54.202 53.050 0.065 0.000 0.846 804 N CB -0.038 38.467 38.487 0.029 0.000 1.010 804 N HN 0.122 nan 8.380 nan 0.000 0.425 805 I N 1.680 122.293 120.570 0.071 0.000 2.208 805 I HA -0.249 3.913 4.170 -0.013 0.000 0.245 805 I C 2.496 178.660 176.117 0.078 0.000 1.097 805 I CA 0.965 62.312 61.300 0.079 0.000 1.363 805 I CB -0.379 37.664 38.000 0.070 0.000 1.051 805 I HN 0.093 nan 8.210 nan 0.000 0.413 806 A N 0.391 123.257 122.820 0.077 0.000 2.019 806 A HA -0.180 4.133 4.320 -0.013 0.000 0.219 806 A C 2.117 179.736 177.584 0.058 0.000 1.164 806 A CA 2.157 54.230 52.037 0.059 0.000 0.644 806 A CB -0.895 18.144 19.000 0.065 0.000 0.805 806 A HN 0.553 nan 8.150 nan 0.000 0.449 807 T N -2.990 111.612 114.554 0.081 0.000 3.174 807 T HA 0.183 4.525 4.350 -0.013 0.000 0.269 807 T C 1.213 176.005 174.700 0.153 0.000 1.017 807 T CA 0.663 62.817 62.100 0.089 0.000 0.899 807 T CB -0.167 68.752 68.868 0.085 0.000 1.077 807 T HN 0.496 nan 8.240 nan 0.000 0.552 808 S N 0.301 116.106 115.700 0.174 0.000 2.562 808 S HA 0.206 4.668 4.470 -0.013 0.000 0.221 808 S C 2.247 176.981 174.600 0.224 0.000 0.975 808 S CA 0.372 58.746 58.200 0.291 0.000 0.918 808 S CB -0.778 62.558 63.200 0.227 0.000 0.772 808 S HN 0.537 nan 8.310 nan 0.000 0.531 809 G N 2.705 111.557 108.800 0.087 0.000 2.505 809 G HA2 -0.326 3.627 3.960 -0.013 0.000 0.220 809 G HA3 -0.326 3.627 3.960 -0.013 0.000 0.220 809 G C 1.326 176.180 174.900 -0.077 0.000 1.145 809 G CA 1.135 46.250 45.100 0.025 0.000 0.761 809 G HN 0.621 nan 8.290 nan 0.000 0.571 810 K N -0.172 120.066 120.400 -0.271 0.000 2.218 810 K HA -0.061 4.251 4.320 -0.013 0.000 0.205 810 K C 1.391 177.662 176.600 -0.549 0.000 1.046 810 K CA 0.943 56.921 56.287 -0.515 0.000 0.933 810 K CB -0.284 31.717 32.500 -0.830 0.000 0.728 810 K HN 0.422 nan 8.250 nan 0.000 0.454 811 F N 0.779 120.759 119.950 0.050 0.000 2.664 811 F HA 0.139 4.658 4.527 -0.013 0.000 0.301 811 F C 0.807 176.654 175.800 0.078 0.000 1.126 811 F CA -0.582 57.455 58.000 0.062 0.000 1.373 811 F CB 0.412 39.445 39.000 0.055 0.000 1.042 811 F HN -0.119 nan 8.300 nan 0.000 0.535 812 S N 0.399 116.185 115.700 0.144 0.000 2.531 812 S HA 0.048 4.510 4.470 -0.013 0.000 0.279 812 S C 1.473 176.155 174.600 0.136 0.000 1.305 812 S CA -0.132 58.148 58.200 0.132 0.000 1.058 812 S CB 0.762 64.008 63.200 0.078 0.000 0.899 812 S HN 0.365 nan 8.310 nan 0.000 0.493 813 S N 3.338 119.145 115.700 0.178 0.000 2.507 813 S HA -0.084 4.378 4.470 -0.013 0.000 0.235 813 S C 0.982 175.632 174.600 0.084 0.000 0.988 813 S CA 0.752 59.076 58.200 0.206 0.000 0.944 813 S CB -0.356 63.048 63.200 0.340 0.000 0.762 813 S HN 0.792 nan 8.310 nan 0.000 0.526 814 D N 1.948 122.383 120.400 0.060 0.000 2.117 814 D HA -0.096 4.537 4.640 -0.013 0.000 0.197 814 D C 2.094 178.396 176.300 0.003 0.000 0.987 814 D CA 0.841 54.853 54.000 0.021 0.000 0.829 814 D CB -0.345 40.465 40.800 0.017 0.000 0.961 814 D HN 0.298 nan 8.370 nan 0.000 0.460 815 R N 0.785 121.289 120.500 0.007 0.000 2.066 815 R HA -0.086 4.247 4.340 -0.013 0.000 0.232 815 R C 1.893 178.181 176.300 -0.020 0.000 1.131 815 R CA 1.391 57.481 56.100 -0.017 0.000 0.955 815 R CB -0.786 29.491 30.300 -0.039 0.000 0.851 815 R HN 0.127 nan 8.270 nan 0.000 0.432 816 T N 2.171 116.735 114.554 0.016 0.000 2.684 816 T HA -0.122 4.220 4.350 -0.013 0.000 0.267 816 T C 1.918 176.611 174.700 -0.011 0.000 1.036 816 T CA 1.396 63.520 62.100 0.040 0.000 1.148 816 T CB -0.115 68.852 68.868 0.165 0.000 0.863 816 T HN 0.105 nan 8.240 nan 0.000 0.436 817 I N 1.626 122.113 120.570 -0.137 0.000 2.315 817 I HA -0.067 4.096 4.170 -0.013 0.000 0.248 817 I C 2.921 178.996 176.117 -0.069 0.000 1.117 817 I CA 0.886 62.077 61.300 -0.181 0.000 1.404 817 I CB -1.631 36.258 38.000 -0.185 0.000 1.071 817 I HN 0.191 nan 8.210 nan 0.000 0.419 818 A N 0.235 123.030 122.820 -0.042 0.000 1.940 818 A HA -0.242 4.071 4.320 -0.013 0.000 0.219 818 A C 2.252 179.794 177.584 -0.071 0.000 1.176 818 A CA 1.502 53.521 52.037 -0.029 0.000 0.631 818 A CB -0.540 18.447 19.000 -0.020 0.000 0.814 818 A HN 0.519 nan 8.150 nan 0.000 0.446 819 Q N -1.882 117.856 119.800 -0.104 0.000 2.083 819 Q HA -0.148 4.184 4.340 -0.013 0.000 0.198 819 Q C 1.935 177.759 176.000 -0.293 0.000 0.969 819 Q CA 1.574 57.273 55.803 -0.173 0.000 0.838 819 Q CB -0.315 28.312 28.738 -0.184 0.000 0.900 819 Q HN 0.813 nan 8.270 nan 0.000 0.436 820 Y N 0.698 120.709 120.300 -0.482 0.000 2.128 820 Y HA -0.307 4.235 4.550 -0.013 0.000 0.284 820 Y C 2.487 177.820 175.900 -0.946 0.000 1.154 820 Y CA 1.304 58.863 58.100 -0.902 0.000 1.149 820 Y CB -0.448 37.143 38.460 -1.449 0.000 0.976 820 Y HN 0.169 nan 8.280 nan 0.000 0.505 821 A N 0.203 122.799 122.820 -0.372 0.000 1.883 821 A HA -0.226 4.086 4.320 -0.013 0.000 0.217 821 A C 2.238 179.835 177.584 0.022 0.000 1.186 821 A CA 2.065 54.125 52.037 0.038 0.000 0.624 821 A CB -0.559 18.537 19.000 0.160 0.000 0.822 821 A HN 0.431 nan 8.150 nan 0.000 0.444 822 R N -0.782 119.690 120.500 -0.046 0.000 2.075 822 R HA -0.016 4.317 4.340 -0.013 0.000 0.226 822 R C 1.865 178.140 176.300 -0.042 0.000 1.114 822 R CA 1.450 57.535 56.100 -0.024 0.000 0.972 822 R CB -0.153 30.128 30.300 -0.031 0.000 0.869 822 R HN 0.657 nan 8.270 nan 0.000 0.437 823 E N -0.517 119.617 120.200 -0.111 0.000 2.415 823 E HA 0.083 4.425 4.350 -0.013 0.000 0.197 823 E C 1.419 177.968 176.600 -0.085 0.000 1.007 823 E CA 0.465 56.804 56.400 -0.101 0.000 0.890 823 E CB 0.541 30.153 29.700 -0.146 0.000 0.891 823 E HN 0.292 nan 8.360 nan 0.000 0.496 824 I N -1.091 119.391 120.570 -0.148 0.000 3.570 824 I HA 0.018 4.181 4.170 -0.013 0.000 0.270 824 I C 1.331 177.581 176.117 0.221 0.000 1.162 824 I CA -0.060 61.212 61.300 -0.045 0.000 1.413 824 I CB 0.252 38.083 38.000 -0.282 0.000 1.437 824 I HN 0.113 nan 8.210 nan 0.000 0.457 825 W N 1.492 122.888 121.300 0.160 0.000 2.658 825 W HA 0.321 4.974 4.660 -0.013 0.000 0.263 825 W C 1.455 178.013 176.519 0.066 0.000 1.274 825 W CA 0.816 58.237 57.345 0.127 0.000 1.343 825 W CB -1.090 28.433 29.460 0.104 0.000 1.106 825 W HN 0.309 nan 8.180 nan 0.000 0.615 826 G N 1.268 110.208 108.800 0.233 0.000 2.256 826 G HA2 -0.089 3.863 3.960 -0.013 0.000 0.272 826 G HA3 -0.089 3.863 3.960 -0.013 0.000 0.272 826 G C -0.369 174.605 174.900 0.123 0.000 1.076 826 G CA 0.232 45.410 45.100 0.131 0.000 0.882 826 G HN 0.445 nan 8.290 nan 0.000 0.497 827 V N -4.174 115.831 119.914 0.151 0.000 2.925 827 V HA 0.890 5.003 4.120 -0.013 0.000 0.311 827 V C -0.361 175.794 176.094 0.101 0.000 1.104 827 V CA -1.699 60.672 62.300 0.118 0.000 0.954 827 V CB 2.333 34.235 31.823 0.132 0.000 1.022 827 V HN 0.146 nan 8.190 nan 0.000 0.427 828 E N 4.056 124.299 120.200 0.070 0.000 2.174 828 E HA 0.512 4.854 4.350 -0.013 0.000 0.282 828 E C -2.452 174.186 176.600 0.063 0.000 0.992 828 E CA -1.690 54.745 56.400 0.058 0.000 0.803 828 E CB 1.793 31.519 29.700 0.043 0.000 1.090 828 E HN 0.745 nan 8.360 nan 0.000 0.396 829 P HA 0.094 nan 4.420 nan 0.000 0.272 829 P C -0.522 176.808 177.300 0.050 0.000 1.240 829 P CA -0.346 62.789 63.100 0.058 0.000 0.791 829 P CB 0.862 32.592 31.700 0.049 0.000 0.978 830 S N 0.461 116.192 115.700 0.052 0.000 2.619 830 S HA 0.310 4.773 4.470 -0.013 0.000 0.280 830 S C 0.443 175.068 174.600 0.042 0.000 1.150 830 S CA -0.733 57.495 58.200 0.048 0.000 0.978 830 S CB 0.934 64.170 63.200 0.060 0.000 1.041 830 S HN 0.258 nan 8.310 nan 0.000 0.485 831 R N 2.327 122.847 120.500 0.033 0.000 2.317 831 R HA 0.172 4.505 4.340 -0.013 0.000 0.208 831 R C 0.020 176.332 176.300 0.020 0.000 0.914 831 R CA 0.099 56.217 56.100 0.030 0.000 1.060 831 R CB 0.059 30.376 30.300 0.029 0.000 1.015 831 R HN 0.694 nan 8.270 nan 0.000 0.498 832 Q N 1.067 120.877 119.800 0.018 0.000 2.337 832 Q HA 0.078 4.411 4.340 -0.013 0.000 0.270 832 Q C -0.243 175.749 176.000 -0.012 0.000 1.002 832 Q CA 0.156 55.962 55.803 0.005 0.000 0.888 832 Q CB 0.757 29.502 28.738 0.011 0.000 1.222 832 Q HN -0.198 nan 8.270 nan 0.000 0.400 833 R N 1.608 122.092 120.500 -0.027 0.000 2.590 833 R HA 0.142 4.475 4.340 -0.013 0.000 0.274 833 R C -0.410 175.846 176.300 -0.074 0.000 1.061 833 R CA 0.113 56.184 56.100 -0.049 0.000 1.081 833 R CB 0.311 30.581 30.300 -0.050 0.000 0.984 833 R HN 0.499 nan 8.270 nan 0.000 0.448 834 L N 5.820 126.981 121.223 -0.103 0.000 2.395 834 L HA 0.342 4.674 4.340 -0.013 0.000 0.269 834 L C -1.660 175.146 176.870 -0.106 0.000 1.133 834 L CA -1.937 52.810 54.840 -0.154 0.000 0.812 834 L CB 0.970 42.905 42.059 -0.206 0.000 1.125 834 L HN 0.485 nan 8.230 nan 0.000 0.452 835 P HA 0.152 nan 4.420 nan 0.000 0.271 835 P C -0.977 176.291 177.300 -0.052 0.000 1.218 835 P CA -0.253 62.809 63.100 -0.062 0.000 0.780 835 P CB 1.152 32.822 31.700 -0.051 0.000 0.901 836 A N 0.000 122.798 122.820 -0.036 0.000 2.254 836 A HA 0.000 4.312 4.320 -0.013 0.000 0.244 836 A CA 0.000 52.023 52.037 -0.023 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