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 1uzu_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 FXXXXXXXXG DATA SEQUENCE YIQAVLDRNL AENISRVLYP NDNFFEGKEL RLKQEYFVVA ATLQDIIRRF DATA SEQUENCE KSSXXXXXXX XXTNFDAFPD KVAIQLNDTH PSLAIPELMR VLVDLERLDW DATA SEQUENCE DKAWEVTVKT CAYTNHTVLP EALERWPVHL LETLLPRHLQ IIYEINQRFL DATA SEQUENCE NRVAAAFPGD VDRLRRMSLV EEGAVKRINM AHLCIAGSHA VNGVARIHSE DATA SEQUENCE ILKKTIFKDF YELEPHKFQN KTNGITPRRW LVLCNPGLAE IIAERIGEEY DATA SEQUENCE ISDLDQLRKL LSYVDDEAFI RDVAKVKQEN KLKFAAYLER EYKVHINPNS DATA SEQUENCE LFDVQVKRIH EYKRQLLNCL HVITLYNRIK KEPNKFVVPR TVMIGGKAAP DATA SEQUENCE GYHMAKMIIK LITAIGDVVN HDPVVGDRLR VIFLENYRVS LAEKVIPAAD DATA SEQUENCE LSEQISTAGT EASGTGNMKF MLNGALTIGT MDGANVEMAE EAGEENFFIF DATA SEQUENCE GMRVEDVDRL DQRGYNAQEY YDRIPELRQI IEQLSSGFFS PKQPDLFKDI DATA SEQUENCE VNMLMHHDRF KVFADYEEYV KCQERVSALY KNPREWTRMV IRNIATSGKF DATA SEQUENCE SSDRTIAQYA REIWGVEPSR QRLPAPD VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 12 Q HA 0.000 nan 4.340 nan 0.000 0.214 12 Q C 0.000 175.985 176.000 -0.025 0.000 1.003 12 Q CA 0.000 55.776 55.803 -0.044 0.000 1.022 12 Q CB 0.000 28.707 28.738 -0.052 0.000 1.108 13 I N 0.055 120.615 120.570 -0.016 0.000 2.437 13 I HA 0.575 4.739 4.170 -0.009 0.000 0.298 13 I C 0.977 177.096 176.117 0.003 0.000 0.984 13 I CA -0.202 61.097 61.300 -0.002 0.000 1.214 13 I CB 1.979 39.982 38.000 0.006 0.000 1.365 13 I HN 0.399 nan 8.210 nan 0.000 0.469 14 S N 3.962 119.668 115.700 0.010 0.000 2.389 14 S HA -0.218 4.246 4.470 -0.009 0.000 0.229 14 S C 1.776 176.386 174.600 0.017 0.000 1.048 14 S CA 2.616 60.825 58.200 0.014 0.000 1.117 14 S CB -0.638 62.576 63.200 0.024 0.000 1.020 14 S HN 0.848 nan 8.310 nan 0.000 0.430 15 V N 0.135 120.068 119.914 0.031 0.000 3.140 15 V HA 0.014 4.128 4.120 -0.009 0.000 0.269 15 V C 1.871 177.979 176.094 0.024 0.000 1.149 15 V CA 1.672 63.992 62.300 0.034 0.000 1.162 15 V CB -1.104 30.748 31.823 0.048 0.000 0.756 15 V HN 0.395 nan 8.190 nan 0.000 0.523 16 R N 1.147 121.652 120.500 0.010 0.000 2.310 16 R HA 0.440 4.774 4.340 -0.009 0.000 0.202 16 R C 1.120 177.410 176.300 -0.017 0.000 0.933 16 R CA 0.549 56.647 56.100 -0.002 0.000 1.054 16 R CB 0.102 30.397 30.300 -0.007 0.000 0.985 16 R HN 0.770 nan 8.270 nan 0.000 0.489 17 G N 0.723 109.513 108.800 -0.018 0.000 2.712 17 G HA2 -0.201 3.754 3.960 -0.009 0.000 0.683 17 G HA3 -0.201 3.754 3.960 -0.009 0.000 0.683 17 G C -0.903 173.980 174.900 -0.028 0.000 1.320 17 G CA -1.094 43.987 45.100 -0.032 0.000 0.847 17 G HN -0.034 nan 8.290 nan 0.000 0.553 18 L N 0.152 121.356 121.223 -0.032 0.000 2.379 18 L HA 0.710 5.044 4.340 -0.009 0.000 0.269 18 L C 1.200 178.053 176.870 -0.028 0.000 1.084 18 L CA 0.193 55.017 54.840 -0.027 0.000 0.802 18 L CB 1.054 43.098 42.059 -0.024 0.000 1.175 18 L HN 1.564 nan 8.230 nan 0.000 0.448 19 A N 1.818 124.624 122.820 -0.022 0.000 3.056 19 A HA 0.573 4.887 4.320 -0.009 0.000 0.328 19 A C 0.765 178.342 177.584 -0.012 0.000 1.233 19 A CA -0.325 51.700 52.037 -0.019 0.000 0.965 19 A CB -0.445 18.544 19.000 -0.019 0.000 1.123 19 A HN 0.818 nan 8.150 nan 0.000 0.502 20 G N -0.262 108.530 108.800 -0.013 0.000 2.562 20 G HA2 0.290 4.245 3.960 -0.009 0.000 0.233 20 G HA3 0.290 4.245 3.960 -0.009 0.000 0.233 20 G C 1.006 175.907 174.900 0.001 0.000 1.266 20 G CA 0.113 45.209 45.100 -0.006 0.000 0.852 20 G HN 0.492 nan 8.290 nan 0.000 0.581 21 V N 1.380 121.296 119.914 0.004 0.000 2.307 21 V HA -0.128 3.986 4.120 -0.009 0.000 0.245 21 V C 2.659 178.760 176.094 0.012 0.000 1.045 21 V CA 2.323 64.627 62.300 0.008 0.000 1.024 21 V CB -0.700 31.127 31.823 0.007 0.000 0.651 21 V HN 0.773 nan 8.190 nan 0.000 0.449 22 E N 0.459 120.667 120.200 0.013 0.000 2.047 22 E HA -0.177 4.167 4.350 -0.009 0.000 0.191 22 E C 2.111 178.727 176.600 0.027 0.000 0.987 22 E CA 1.454 57.865 56.400 0.019 0.000 0.799 22 E CB -0.292 29.419 29.700 0.018 0.000 0.752 22 E HN 0.576 nan 8.360 nan 0.000 0.449 23 N N -0.666 118.047 118.700 0.022 0.000 2.043 23 N HA -0.162 4.573 4.740 -0.009 0.000 0.193 23 N C 1.627 177.156 175.510 0.032 0.000 1.037 23 N CA 1.451 54.516 53.050 0.026 0.000 0.851 23 N CB -0.177 38.309 38.487 -0.002 0.000 1.027 23 N HN -0.022 nan 8.380 nan 0.000 0.422 24 V N 0.020 119.946 119.914 0.020 0.000 2.332 24 V HA -0.242 3.872 4.120 -0.009 0.000 0.248 24 V C 2.068 178.180 176.094 0.031 0.000 1.055 24 V CA 1.997 64.310 62.300 0.022 0.000 1.038 24 V CB -0.993 30.839 31.823 0.015 0.000 0.651 24 V HN 0.425 nan 8.190 nan 0.000 0.450 25 T N -0.577 113.995 114.554 0.030 0.000 2.746 25 T HA -0.220 4.124 4.350 -0.009 0.000 0.267 25 T C 1.932 176.662 174.700 0.050 0.000 1.039 25 T CA 1.787 63.906 62.100 0.033 0.000 1.142 25 T CB -0.203 68.680 68.868 0.026 0.000 0.866 25 T HN 0.487 nan 8.240 nan 0.000 0.444 26 E N 0.611 120.848 120.200 0.061 0.000 2.072 26 E HA -0.058 4.286 4.350 -0.009 0.000 0.191 26 E C 1.894 178.564 176.600 0.117 0.000 0.985 26 E CA 0.660 57.109 56.400 0.081 0.000 0.801 26 E CB -0.423 29.332 29.700 0.092 0.000 0.750 26 E HN 0.174 nan 8.360 nan 0.000 0.452 27 L N 0.832 122.133 121.223 0.129 0.000 2.046 27 L HA -0.114 4.220 4.340 -0.009 0.000 0.208 27 L C 2.049 179.021 176.870 0.170 0.000 1.077 27 L CA 1.761 56.704 54.840 0.171 0.000 0.747 27 L CB -0.676 41.459 42.059 0.127 0.000 0.896 27 L HN 0.077 nan 8.230 nan 0.000 0.432 28 K N -0.127 120.334 120.400 0.102 0.000 2.057 28 K HA -0.203 4.112 4.320 -0.009 0.000 0.207 28 K C 1.966 178.662 176.600 0.159 0.000 1.049 28 K CA 1.701 58.040 56.287 0.087 0.000 0.931 28 K CB -0.110 32.404 32.500 0.022 0.000 0.714 28 K HN 0.436 nan 8.250 nan 0.000 0.440 29 K N 0.079 120.552 120.400 0.121 0.000 2.155 29 K HA -0.004 4.310 4.320 -0.009 0.000 0.203 29 K C 1.568 178.240 176.600 0.121 0.000 1.052 29 K CA 1.125 57.477 56.287 0.109 0.000 0.948 29 K CB -0.057 32.482 32.500 0.065 0.000 0.728 29 K HN -0.010 nan 8.250 nan 0.000 0.448 30 N N 0.461 119.241 118.700 0.132 0.000 2.331 30 N HA -0.079 4.655 4.740 -0.009 0.000 0.180 30 N C 1.474 177.089 175.510 0.176 0.000 1.019 30 N CA 0.752 53.854 53.050 0.087 0.000 0.881 30 N CB -0.161 38.382 38.487 0.094 0.000 0.972 30 N HN 0.202 nan 8.380 nan 0.000 0.435 31 F N 2.486 122.511 119.950 0.124 0.000 2.084 31 F HA -0.053 4.468 4.527 -0.009 0.000 0.296 31 F C 1.991 177.885 175.800 0.157 0.000 1.111 31 F CA 1.244 59.345 58.000 0.167 0.000 1.224 31 F CB -0.209 38.867 39.000 0.126 0.000 0.991 31 F HN -0.047 nan 8.300 nan 0.000 0.471 32 N N 0.462 119.367 118.700 0.342 0.000 2.223 32 N HA -0.168 4.567 4.740 -0.009 0.000 0.185 32 N C 2.087 177.662 175.510 0.107 0.000 1.016 32 N CA 0.660 53.834 53.050 0.206 0.000 0.863 32 N CB -0.473 38.126 38.487 0.186 0.000 0.983 32 N HN 0.287 nan 8.380 nan 0.000 0.429 33 R N 0.815 121.377 120.500 0.103 0.000 2.073 33 R HA -0.074 4.260 4.340 -0.009 0.000 0.234 33 R C 1.559 177.937 176.300 0.131 0.000 1.134 33 R CA 1.402 57.588 56.100 0.143 0.000 0.952 33 R CB -0.486 29.822 30.300 0.014 0.000 0.850 33 R HN 0.460 nan 8.270 nan 0.000 0.433 34 H N -0.384 118.715 119.070 0.048 0.000 2.395 34 H HA -0.101 4.449 4.556 -0.009 0.000 0.299 34 H C 1.854 177.105 175.328 -0.129 0.000 1.070 34 H CA 1.152 57.164 56.048 -0.060 0.000 1.356 34 H CB 0.116 29.805 29.762 -0.122 0.000 1.401 34 H HN 0.058 nan 8.280 nan 0.000 0.524 35 L N 0.074 121.266 121.223 -0.052 0.000 2.083 35 L HA -0.182 4.152 4.340 -0.009 0.000 0.209 35 L C 2.181 179.024 176.870 -0.045 0.000 1.083 35 L CA 1.835 56.615 54.840 -0.100 0.000 0.752 35 L CB -0.420 41.581 42.059 -0.097 0.000 0.899 35 L HN 0.298 nan 8.230 nan 0.000 0.433 36 H N -1.733 117.258 119.070 -0.132 0.000 2.287 36 H HA -0.053 4.498 4.556 -0.009 0.000 0.309 36 H C 1.820 176.964 175.328 -0.307 0.000 1.059 36 H CA 2.167 58.056 56.048 -0.266 0.000 1.357 36 H CB -0.336 29.181 29.762 -0.409 0.000 1.409 36 H HN 0.258 nan 8.280 nan 0.000 0.515 37 F N -0.131 119.788 119.950 -0.052 0.000 2.206 37 F HA -0.049 4.472 4.527 -0.009 0.000 0.298 37 F C 2.611 178.334 175.800 -0.129 0.000 1.090 37 F CA 1.507 59.435 58.000 -0.120 0.000 1.323 37 F CB -0.464 38.520 39.000 -0.027 0.000 1.028 37 F HN 0.206 nan 8.300 nan 0.000 0.492 38 T N -0.413 114.180 114.554 0.066 0.000 2.901 38 T HA 0.015 4.359 4.350 -0.009 0.000 0.252 38 T C 1.659 176.259 174.700 -0.166 0.000 1.035 38 T CA 0.752 62.807 62.100 -0.074 0.000 1.142 38 T CB -0.188 68.586 68.868 -0.156 0.000 0.869 38 T HN -0.061 nan 8.240 nan 0.000 0.442 39 L N 1.021 122.146 121.223 -0.163 0.000 2.529 39 L HA 0.288 4.622 4.340 -0.009 0.000 0.223 39 L C 0.646 177.418 176.870 -0.164 0.000 1.113 39 L CA 0.225 54.960 54.840 -0.175 0.000 0.861 39 L CB -0.670 41.293 42.059 -0.159 0.000 1.012 39 L HN 0.022 nan 8.230 nan 0.000 0.461 40 V N 0.180 119.983 119.914 -0.186 0.000 5.949 40 V HA -0.308 3.807 4.120 -0.009 0.000 0.287 40 V C 0.468 176.454 176.094 -0.180 0.000 0.603 40 V CA 0.906 63.070 62.300 -0.226 0.000 0.608 40 V CB -2.123 29.593 31.823 -0.178 0.000 0.259 40 V HN 0.448 nan 8.190 nan 0.000 0.742 41 K N 0.935 121.238 120.400 -0.160 0.000 2.495 41 K HA 0.753 5.068 4.320 -0.009 0.000 0.268 41 K C -0.780 175.793 176.600 -0.044 0.000 1.008 41 K CA -0.550 55.676 56.287 -0.102 0.000 0.882 41 K CB 2.874 35.308 32.500 -0.109 0.000 1.443 41 K HN 0.476 nan 8.250 nan 0.000 0.447 42 D N -0.583 119.811 120.400 -0.010 0.000 2.523 42 D HA 0.287 4.921 4.640 -0.009 0.000 0.236 42 D C 0.556 176.893 176.300 0.061 0.000 1.094 42 D CA -0.665 53.361 54.000 0.043 0.000 0.942 42 D CB 0.983 41.807 40.800 0.040 0.000 1.447 42 D HN 0.147 nan 8.370 nan 0.000 0.479 43 R N 0.617 121.181 120.500 0.107 0.000 2.261 43 R HA -0.103 4.231 4.340 -0.009 0.000 0.236 43 R C 1.030 177.400 176.300 0.117 0.000 1.141 43 R CA 0.857 57.053 56.100 0.161 0.000 1.001 43 R CB -1.093 29.295 30.300 0.147 0.000 0.866 43 R HN 0.623 nan 8.270 nan 0.000 0.468 44 N N -0.126 118.612 118.700 0.064 0.000 2.300 44 N HA -0.087 4.647 4.740 -0.009 0.000 0.179 44 N C 1.211 176.738 175.510 0.028 0.000 1.016 44 N CA 1.053 54.129 53.050 0.043 0.000 0.876 44 N CB 0.345 38.847 38.487 0.025 0.000 0.979 44 N HN 0.108 nan 8.380 nan 0.000 0.432 45 V N -2.995 116.923 119.914 0.007 0.000 3.253 45 V HA 0.548 4.663 4.120 -0.009 0.000 0.320 45 V C 0.272 176.330 176.094 -0.059 0.000 1.442 45 V CA -0.739 61.550 62.300 -0.018 0.000 1.097 45 V CB -0.138 31.671 31.823 -0.025 0.000 1.008 45 V HN 0.020 nan 8.190 nan 0.000 0.463 46 A N 1.827 124.593 122.820 -0.091 0.000 2.401 46 A HA 0.684 4.999 4.320 -0.009 0.000 0.259 46 A C 0.684 178.086 177.584 -0.304 0.000 1.103 46 A CA 0.619 52.492 52.037 -0.273 0.000 0.789 46 A CB 0.189 18.902 19.000 -0.478 0.000 1.035 46 A HN 0.810 nan 8.150 nan 0.000 0.491 47 T N 0.047 114.420 114.554 -0.301 0.000 2.948 47 T HA 0.566 4.910 4.350 -0.009 0.000 0.285 47 T C -2.176 172.420 174.700 -0.173 0.000 1.019 47 T CA -1.816 60.191 62.100 -0.155 0.000 1.013 47 T CB 1.240 70.067 68.868 -0.069 0.000 1.117 47 T HN 0.241 nan 8.240 nan 0.000 0.533 48 P HA -0.124 nan 4.420 nan 0.000 0.217 48 P C 1.577 178.969 177.300 0.153 0.000 1.148 48 P CA 0.987 64.202 63.100 0.191 0.000 0.834 48 P CB 0.071 31.860 31.700 0.147 0.000 0.783 49 R N -0.108 120.433 120.500 0.067 0.000 2.092 49 R HA -0.128 4.206 4.340 -0.009 0.000 0.231 49 R C 1.647 178.107 176.300 0.267 0.000 1.119 49 R CA 1.675 57.859 56.100 0.140 0.000 0.970 49 R CB -0.597 29.715 30.300 0.020 0.000 0.864 49 R HN 0.111 nan 8.270 nan 0.000 0.440 50 D N -0.395 120.036 120.400 0.051 0.000 2.144 50 D HA -0.179 4.455 4.640 -0.009 0.000 0.200 50 D C 1.639 177.947 176.300 0.015 0.000 0.978 50 D CA 1.221 55.212 54.000 -0.014 0.000 0.833 50 D CB -0.221 40.428 40.800 -0.253 0.000 0.961 50 D HN 0.300 nan 8.370 nan 0.000 0.470 51 Y N 0.110 120.512 120.300 0.171 0.000 2.242 51 Y HA -0.197 4.348 4.550 -0.009 0.000 0.291 51 Y C 2.322 178.360 175.900 0.231 0.000 1.137 51 Y CA 0.274 58.521 58.100 0.245 0.000 1.181 51 Y CB -1.126 37.535 38.460 0.334 0.000 0.989 51 Y HN 0.085 nan 8.280 nan 0.000 0.527 52 Y N -0.570 119.869 120.300 0.232 0.000 2.181 52 Y HA -0.255 4.290 4.550 -0.009 0.000 0.288 52 Y C 1.895 177.751 175.900 -0.074 0.000 1.146 52 Y CA 1.190 59.321 58.100 0.052 0.000 1.164 52 Y CB -1.070 37.318 38.460 -0.120 0.000 0.982 52 Y HN 0.043 nan 8.280 nan 0.000 0.515 53 F N 0.165 119.910 119.950 -0.342 0.000 2.186 53 F HA -0.092 4.429 4.527 -0.009 0.000 0.299 53 F C 2.639 178.288 175.800 -0.251 0.000 1.090 53 F CA 1.231 58.978 58.000 -0.421 0.000 1.307 53 F CB -0.807 38.107 39.000 -0.144 0.000 1.019 53 F HN 0.188 nan 8.300 nan 0.000 0.489 54 A N -0.054 122.719 122.820 -0.078 0.000 1.877 54 A HA -0.198 4.117 4.320 -0.009 0.000 0.216 54 A C 2.068 179.570 177.584 -0.137 0.000 1.186 54 A CA 1.688 53.560 52.037 -0.274 0.000 0.620 54 A CB -1.066 17.420 19.000 -0.856 0.000 0.822 54 A HN 0.351 nan 8.150 nan 0.000 0.443 55 L N -0.292 120.966 121.223 0.058 0.000 2.056 55 L HA -0.017 4.318 4.340 -0.009 0.000 0.207 55 L C 2.645 179.524 176.870 0.015 0.000 1.078 55 L CA 2.174 57.165 54.840 0.251 0.000 0.749 55 L CB -0.841 41.418 42.059 0.334 0.000 0.901 55 L HN 0.338 nan 8.230 nan 0.000 0.433 56 A N -1.284 121.353 122.820 -0.306 0.000 1.902 56 A HA -0.268 4.046 4.320 -0.009 0.000 0.217 56 A C 2.124 179.374 177.584 -0.557 0.000 1.181 56 A CA 1.961 53.697 52.037 -0.502 0.000 0.623 56 A CB -1.049 17.310 19.000 -1.068 0.000 0.818 56 A HN 0.671 nan 8.150 nan 0.000 0.443 57 H N -0.797 117.984 119.070 -0.483 0.000 2.389 57 H HA -0.046 4.505 4.556 -0.009 0.000 0.299 57 H C 2.335 177.497 175.328 -0.276 0.000 1.081 57 H CA 1.943 57.648 56.048 -0.572 0.000 1.345 57 H CB -0.167 28.928 29.762 -1.111 0.000 1.393 57 H HN 0.457 nan 8.280 nan 0.000 0.520 58 T N -0.282 114.322 114.554 0.083 0.000 2.708 58 T HA -0.138 4.207 4.350 -0.009 0.000 0.266 58 T C 2.264 177.139 174.700 0.293 0.000 1.037 58 T CA 1.382 63.666 62.100 0.308 0.000 1.146 58 T CB -0.414 68.678 68.868 0.373 0.000 0.865 58 T HN 0.092 nan 8.240 nan 0.000 0.435 59 V N 1.574 121.643 119.914 0.257 0.000 2.358 59 V HA -0.141 3.974 4.120 -0.009 0.000 0.246 59 V C 2.609 178.892 176.094 0.314 0.000 1.047 59 V CA 1.702 64.200 62.300 0.329 0.000 1.035 59 V CB -0.643 31.370 31.823 0.316 0.000 0.658 59 V HN 0.377 nan 8.190 nan 0.000 0.452 60 R N 0.227 120.851 120.500 0.207 0.000 2.105 60 R HA -0.224 4.111 4.340 -0.009 0.000 0.239 60 R C 1.935 178.327 176.300 0.153 0.000 1.135 60 R CA 2.089 58.299 56.100 0.183 0.000 0.967 60 R CB -0.416 29.831 30.300 -0.088 0.000 0.861 60 R HN 0.465 nan 8.270 nan 0.000 0.442 61 D N -0.183 120.286 120.400 0.114 0.000 2.182 61 D HA -0.165 4.470 4.640 -0.009 0.000 0.201 61 D C 1.594 177.872 176.300 -0.037 0.000 0.986 61 D CA 1.092 55.117 54.000 0.043 0.000 0.847 61 D CB -0.289 40.518 40.800 0.012 0.000 0.942 61 D HN 0.448 nan 8.370 nan 0.000 0.467 62 H N -0.452 118.686 119.070 0.114 0.000 2.546 62 H HA 0.079 4.630 4.556 -0.009 0.000 0.277 62 H C 2.114 177.488 175.328 0.076 0.000 1.004 62 H CA 0.369 56.467 56.048 0.083 0.000 1.231 62 H CB 0.425 30.228 29.762 0.069 0.000 1.382 62 H HN 0.216 nan 8.280 nan 0.000 0.580 63 L N 0.276 121.608 121.223 0.183 0.000 2.168 63 L HA -0.089 4.245 4.340 -0.009 0.000 0.203 63 L C 2.727 179.712 176.870 0.192 0.000 1.078 63 L CA 0.416 55.338 54.840 0.137 0.000 0.780 63 L CB -0.223 41.885 42.059 0.082 0.000 0.939 63 L HN 0.068 nan 8.230 nan 0.000 0.451 64 V N -1.613 118.438 119.914 0.228 0.000 2.278 64 V HA -0.251 3.864 4.120 -0.009 0.000 0.251 64 V C 2.354 178.563 176.094 0.192 0.000 1.062 64 V CA 2.213 64.678 62.300 0.275 0.000 1.038 64 V CB -2.038 29.899 31.823 0.191 0.000 0.646 64 V HN 0.423 nan 8.190 nan 0.000 0.447 65 G N 0.013 108.883 108.800 0.117 0.000 2.491 65 G HA2 -0.289 3.665 3.960 -0.009 0.000 0.218 65 G HA3 -0.289 3.665 3.960 -0.009 0.000 0.218 65 G C 1.753 176.704 174.900 0.085 0.000 1.180 65 G CA 1.183 46.328 45.100 0.075 0.000 0.774 65 G HN 0.531 nan 8.290 nan 0.000 0.562 66 R N -1.437 119.122 120.500 0.099 0.000 2.081 66 R HA -0.100 4.234 4.340 -0.009 0.000 0.235 66 R C 2.270 178.658 176.300 0.147 0.000 1.131 66 R CA 1.286 57.434 56.100 0.080 0.000 0.960 66 R CB -0.378 29.954 30.300 0.053 0.000 0.856 66 R HN 0.513 nan 8.270 nan 0.000 0.436 67 W N 1.396 122.684 121.300 -0.020 0.000 2.355 67 W HA -0.114 4.541 4.660 -0.009 0.000 0.309 67 W C 1.672 178.174 176.519 -0.027 0.000 1.206 67 W CA 1.062 58.395 57.345 -0.020 0.000 1.284 67 W CB -0.637 28.829 29.460 0.011 0.000 1.145 67 W HN -0.003 nan 8.180 nan 0.000 0.502 68 I N 1.043 121.674 120.570 0.102 0.000 2.226 68 I HA -0.338 3.826 4.170 -0.009 0.000 0.245 68 I C 2.631 178.735 176.117 -0.023 0.000 1.100 68 I CA 2.017 63.290 61.300 -0.045 0.000 1.374 68 I CB -0.575 37.401 38.000 -0.039 0.000 1.057 68 I HN -0.005 nan 8.210 nan 0.000 0.413 69 R N -0.026 120.475 120.500 0.002 0.000 2.193 69 R HA -0.004 4.331 4.340 -0.009 0.000 0.213 69 R C 1.843 178.110 176.300 -0.054 0.000 1.055 69 R CA 1.204 57.295 56.100 -0.016 0.000 0.995 69 R CB -0.962 29.328 30.300 -0.018 0.000 0.893 69 R HN 0.172 nan 8.270 nan 0.000 0.459 70 T N 1.414 115.919 114.554 -0.082 0.000 2.770 70 T HA -0.067 4.278 4.350 -0.009 0.000 0.263 70 T C 1.748 176.192 174.700 -0.426 0.000 1.039 70 T CA 1.080 63.024 62.100 -0.260 0.000 1.142 70 T CB -0.048 68.714 68.868 -0.177 0.000 0.868 70 T HN 0.194 nan 8.240 nan 0.000 0.435 71 Q N 0.822 120.530 119.800 -0.153 0.000 2.167 71 Q HA -0.051 4.283 4.340 -0.009 0.000 0.202 71 Q C 2.318 178.348 176.000 0.049 0.000 0.970 71 Q CA 1.214 57.006 55.803 -0.018 0.000 0.855 71 Q CB -0.444 28.306 28.738 0.021 0.000 0.911 71 Q HN 0.458 nan 8.270 nan 0.000 0.438 72 Q N -0.075 119.739 119.800 0.023 0.000 2.079 72 Q HA -0.167 4.168 4.340 -0.009 0.000 0.200 72 Q C 1.894 177.993 176.000 0.164 0.000 0.974 72 Q CA 1.760 57.621 55.803 0.098 0.000 0.840 72 Q CB -0.339 28.433 28.738 0.057 0.000 0.898 72 Q HN 0.510 nan 8.270 nan 0.000 0.430 73 H N -0.828 118.219 119.070 -0.038 0.000 2.290 73 H HA -0.188 4.362 4.556 -0.009 0.000 0.298 73 H C 1.240 176.631 175.328 0.105 0.000 1.087 73 H CA 2.371 58.402 56.048 -0.028 0.000 1.291 73 H CB -0.435 29.235 29.762 -0.154 0.000 1.369 73 H HN 0.353 nan 8.280 nan 0.000 0.492 74 Y N -0.962 119.380 120.300 0.070 0.000 2.207 74 Y HA -0.221 4.323 4.550 -0.010 0.000 0.287 74 Y C 2.506 178.431 175.900 0.042 0.000 1.156 74 Y CA 1.166 59.272 58.100 0.009 0.000 1.182 74 Y CB -1.383 37.147 38.460 0.117 0.000 0.979 74 Y HN 0.370 nan 8.280 nan 0.000 0.521 75 Y N 1.146 121.532 120.300 0.143 0.000 2.242 75 Y HA -0.163 4.381 4.550 -0.009 0.000 0.291 75 Y C 2.067 177.978 175.900 0.018 0.000 1.137 75 Y CA 1.468 59.611 58.100 0.072 0.000 1.181 75 Y CB -0.081 38.411 38.460 0.054 0.000 0.989 75 Y HN 0.062 nan 8.280 nan 0.000 0.527 76 E N 0.397 120.578 120.200 -0.030 0.000 2.001 76 E HA -0.155 4.190 4.350 -0.009 0.000 0.193 76 E C 1.973 178.475 176.600 -0.164 0.000 0.994 76 E CA 1.266 57.594 56.400 -0.120 0.000 0.815 76 E CB -0.281 29.411 29.700 -0.013 0.000 0.770 76 E HN 0.365 nan 8.360 nan 0.000 0.453 77 K N 0.920 121.212 120.400 -0.180 0.000 2.211 77 K HA -0.114 4.201 4.320 -0.009 0.000 0.203 77 K C 0.291 176.820 176.600 -0.119 0.000 1.050 77 K CA 0.783 56.971 56.287 -0.164 0.000 0.945 77 K CB -0.550 31.800 32.500 -0.250 0.000 0.732 77 K HN 0.178 nan 8.250 nan 0.000 0.451 78 D N 0.639 120.979 120.400 -0.100 0.000 2.737 78 D HA -0.103 4.531 4.640 -0.009 0.000 0.238 78 D C -2.230 174.037 176.300 -0.055 0.000 1.157 78 D CA 0.117 54.074 54.000 -0.072 0.000 0.694 78 D CB -0.248 40.480 40.800 -0.120 0.000 1.021 78 D HN 0.204 nan 8.370 nan 0.000 0.420 79 P HA 0.092 nan 4.420 nan 0.000 0.275 79 P C -0.144 177.112 177.300 -0.073 0.000 1.266 79 P CA -0.602 62.460 63.100 -0.064 0.000 0.793 79 P CB 0.633 32.285 31.700 -0.080 0.000 1.074 80 K N 0.824 121.184 120.400 -0.067 0.000 2.401 80 K HA 0.091 4.406 4.320 -0.009 0.000 0.278 80 K C -0.063 176.451 176.600 -0.143 0.000 1.018 80 K CA -0.108 56.134 56.287 -0.075 0.000 0.981 80 K CB 0.262 32.735 32.500 -0.044 0.000 0.933 80 K HN 0.240 nan 8.250 nan 0.000 0.477 81 R N 3.512 123.911 120.500 -0.168 0.000 2.368 81 R HA 0.356 4.691 4.340 -0.009 0.000 0.302 81 R C -0.597 175.426 176.300 -0.461 0.000 1.002 81 R CA -0.466 55.450 56.100 -0.307 0.000 0.929 81 R CB 0.838 30.956 30.300 -0.304 0.000 1.073 81 R HN 0.493 nan 8.270 nan 0.000 0.464 82 I N 4.426 124.668 120.570 -0.546 0.000 2.354 82 I HA 0.233 4.398 4.170 -0.009 0.000 0.292 82 I C -0.663 175.137 176.117 -0.529 0.000 0.989 82 I CA -0.806 60.123 61.300 -0.618 0.000 1.188 82 I CB 0.933 38.452 38.000 -0.801 0.000 1.342 82 I HN 0.529 nan 8.210 nan 0.000 0.457 83 Y N 5.804 126.068 120.300 -0.060 0.000 2.356 83 Y HA 0.290 4.835 4.550 -0.009 0.000 0.334 83 Y C -0.335 175.673 175.900 0.181 0.000 0.958 83 Y CA -0.742 57.453 58.100 0.158 0.000 1.196 83 Y CB 1.241 39.756 38.460 0.092 0.000 1.137 83 Y HN 0.395 nan 8.280 nan 0.000 0.485 84 Y N 4.676 125.172 120.300 0.326 0.000 2.518 84 Y HA 0.467 5.011 4.550 -0.009 0.000 0.344 84 Y C -1.215 174.957 175.900 0.453 0.000 0.982 84 Y CA -0.977 57.320 58.100 0.328 0.000 1.234 84 Y CB 0.224 38.879 38.460 0.325 0.000 1.114 84 Y HN 0.495 nan 8.280 nan 0.000 0.515 85 L N 4.785 126.085 121.223 0.129 0.000 2.281 85 L HA 0.461 4.796 4.340 -0.009 0.000 0.285 85 L C -0.091 176.817 176.870 0.062 0.000 1.074 85 L CA 0.135 55.099 54.840 0.208 0.000 0.817 85 L CB 1.195 43.336 42.059 0.138 0.000 1.168 85 L HN 0.571 nan 8.230 nan 0.000 0.434 86 S N 2.521 118.347 115.700 0.210 0.000 2.537 86 S HA 0.493 4.957 4.470 -0.009 0.000 0.270 86 S C 0.128 174.850 174.600 0.202 0.000 1.142 86 S CA -0.530 57.699 58.200 0.047 0.000 0.870 86 S CB 0.970 63.996 63.200 -0.291 0.000 1.112 86 S HN 0.454 nan 8.310 nan 0.000 0.466 87 L N 2.791 124.166 121.223 0.253 0.000 2.591 87 L HA 0.465 4.799 4.340 -0.009 0.000 0.228 87 L C 0.212 177.311 176.870 0.382 0.000 1.133 87 L CA 0.920 55.979 54.840 0.365 0.000 0.880 87 L CB -0.109 42.185 42.059 0.393 0.000 1.033 87 L HN 0.656 nan 8.230 nan 0.000 0.450 88 E N -1.250 119.046 120.200 0.160 0.000 2.308 88 E HA 0.394 4.738 4.350 -0.009 0.000 0.275 88 E C -1.403 175.085 176.600 -0.187 0.000 0.890 88 E CA -0.453 56.015 56.400 0.113 0.000 0.754 88 E CB 1.882 31.620 29.700 0.062 0.000 1.207 88 E HN -0.172 nan 8.360 nan 0.000 0.426 89 F N 2.054 122.118 119.950 0.189 0.000 2.771 89 F HA 0.178 4.699 4.527 -0.010 0.000 0.365 89 F C -0.812 175.078 175.800 0.151 0.000 1.169 89 F CA -0.737 57.363 58.000 0.167 0.000 1.093 89 F CB 0.945 40.037 39.000 0.153 0.000 1.363 89 F HN 0.496 nan 8.300 nan 0.000 0.496 90 Y N 5.157 125.531 120.300 0.123 0.000 2.636 90 Y HA 0.184 4.728 4.550 -0.009 0.000 0.334 90 Y C 1.133 177.057 175.900 0.039 0.000 1.286 90 Y CA -0.946 57.180 58.100 0.044 0.000 1.688 90 Y CB 0.184 38.654 38.460 0.016 0.000 1.662 90 Y HN 0.538 nan 8.280 nan 0.000 0.465 91 M N 0.927 120.658 119.600 0.218 0.000 2.156 91 M HA 0.070 4.544 4.480 -0.009 0.000 0.264 91 M C 1.638 177.917 176.300 -0.035 0.000 1.067 91 M CA 1.283 56.623 55.300 0.066 0.000 1.131 91 M CB -1.347 31.269 32.600 0.026 0.000 1.368 91 M HN 0.640 nan 8.290 nan 0.000 0.416 92 G N 0.713 109.499 108.800 -0.023 0.000 2.553 92 G HA2 -0.256 3.698 3.960 -0.009 0.000 0.242 92 G HA3 -0.256 3.698 3.960 -0.009 0.000 0.242 92 G C -0.296 174.555 174.900 -0.081 0.000 1.277 92 G CA -0.272 44.777 45.100 -0.086 0.000 0.910 92 G HN 0.433 nan 8.290 nan 0.000 0.576 93 R N -0.404 120.031 120.500 -0.108 0.000 2.560 93 R HA 0.559 4.894 4.340 -0.009 0.000 0.270 93 R C 1.498 177.683 176.300 -0.192 0.000 1.074 93 R CA 0.407 56.452 56.100 -0.093 0.000 1.140 93 R CB 0.964 31.216 30.300 -0.081 0.000 1.073 93 R HN 0.849 nan 8.270 nan 0.000 0.527 94 T N 0.079 114.467 114.554 -0.276 0.000 2.975 94 T HA 0.012 4.357 4.350 -0.009 0.000 0.261 94 T C 1.364 175.681 174.700 -0.638 0.000 0.984 94 T CA -0.199 61.565 62.100 -0.560 0.000 0.911 94 T CB 0.204 68.518 68.868 -0.923 0.000 1.127 94 T HN 0.349 nan 8.240 nan 0.000 0.514 95 L N 1.860 122.914 121.223 -0.281 0.000 1.970 95 L HA 0.089 4.424 4.340 -0.009 0.000 0.212 95 L C 2.569 179.405 176.870 -0.056 0.000 1.071 95 L CA 2.267 57.103 54.840 -0.008 0.000 0.751 95 L CB -0.942 41.340 42.059 0.372 0.000 0.889 95 L HN 0.364 nan 8.230 nan 0.000 0.432 96 Q N -0.723 119.046 119.800 -0.053 0.000 2.084 96 Q HA -0.251 4.083 4.340 -0.009 0.000 0.202 96 Q C 2.225 178.158 176.000 -0.111 0.000 0.978 96 Q CA 1.795 57.562 55.803 -0.061 0.000 0.844 96 Q CB -0.309 28.390 28.738 -0.065 0.000 0.898 96 Q HN 0.699 nan 8.270 nan 0.000 0.426 97 N N -0.838 117.756 118.700 -0.176 0.000 2.166 97 N HA -0.138 4.596 4.740 -0.009 0.000 0.186 97 N C 1.352 176.759 175.510 -0.171 0.000 1.019 97 N CA 1.755 54.692 53.050 -0.189 0.000 0.856 97 N CB 0.074 38.414 38.487 -0.244 0.000 0.993 97 N HN 0.206 nan 8.380 nan 0.000 0.426 98 T N 1.142 115.562 114.554 -0.223 0.000 2.777 98 T HA -0.022 4.322 4.350 -0.009 0.000 0.266 98 T C 2.075 176.718 174.700 -0.095 0.000 1.040 98 T CA 0.937 62.923 62.100 -0.189 0.000 1.141 98 T CB -0.022 68.689 68.868 -0.261 0.000 0.868 98 T HN 0.252 nan 8.240 nan 0.000 0.444 99 M N 0.559 120.120 119.600 -0.065 0.000 2.086 99 M HA -0.085 4.390 4.480 -0.009 0.000 0.261 99 M C 2.469 178.737 176.300 -0.054 0.000 1.067 99 M CA 1.258 56.533 55.300 -0.040 0.000 1.116 99 M CB -0.594 31.998 32.600 -0.013 0.000 1.348 99 M HN 0.087 nan 8.290 nan 0.000 0.407 100 V N 0.886 120.773 119.914 -0.046 0.000 2.287 100 V HA -0.279 3.836 4.120 -0.009 0.000 0.248 100 V C 1.633 177.725 176.094 -0.003 0.000 1.053 100 V CA 2.016 64.310 62.300 -0.009 0.000 1.027 100 V CB -0.892 30.932 31.823 0.002 0.000 0.646 100 V HN 0.480 nan 8.190 nan 0.000 0.447 101 N N -0.579 118.106 118.700 -0.025 0.000 2.512 101 N HA -0.016 4.719 4.740 -0.009 0.000 0.183 101 N C 0.974 176.376 175.510 -0.181 0.000 1.073 101 N CA 0.558 53.567 53.050 -0.068 0.000 0.911 101 N CB 0.062 38.531 38.487 -0.029 0.000 0.964 101 N HN 0.289 nan 8.380 nan 0.000 0.447 102 L N -0.599 120.540 121.223 -0.139 0.000 2.766 102 L HA 0.432 4.766 4.340 -0.009 0.000 0.242 102 L C 0.535 177.316 176.870 -0.148 0.000 1.136 102 L CA -0.188 54.570 54.840 -0.136 0.000 0.933 102 L CB -0.464 41.543 42.059 -0.087 0.000 1.241 102 L HN 0.062 nan 8.230 nan 0.000 0.522 103 A N -0.386 122.346 122.820 -0.148 0.000 2.822 103 A HA -0.224 4.091 4.320 -0.009 0.000 0.287 103 A C 1.047 178.570 177.584 -0.102 0.000 1.479 103 A CA 1.017 52.980 52.037 -0.123 0.000 0.779 103 A CB -1.945 16.968 19.000 -0.144 0.000 1.022 103 A HN 0.224 nan 8.150 nan 0.000 0.532 104 L N -0.840 120.325 121.223 -0.097 0.000 2.693 104 L HA 0.266 4.600 4.340 -0.009 0.000 0.235 104 L C 1.777 178.613 176.870 -0.056 0.000 1.127 104 L CA 1.488 56.268 54.840 -0.101 0.000 0.914 104 L CB -0.223 41.753 42.059 -0.138 0.000 1.193 104 L HN 0.604 nan 8.230 nan 0.000 0.502 105 E N -0.262 119.913 120.200 -0.041 0.000 2.058 105 E HA -0.234 4.111 4.350 -0.009 0.000 0.194 105 E C 1.517 178.106 176.600 -0.018 0.000 0.997 105 E CA 1.416 57.804 56.400 -0.021 0.000 0.801 105 E CB 0.279 29.968 29.700 -0.018 0.000 0.746 105 E HN 0.420 nan 8.360 nan 0.000 0.450 106 N N -0.104 118.581 118.700 -0.025 0.000 2.216 106 N HA -0.075 4.660 4.740 -0.009 0.000 0.183 106 N C 1.550 177.046 175.510 -0.023 0.000 1.017 106 N CA 1.105 54.140 53.050 -0.025 0.000 0.861 106 N CB -0.312 38.158 38.487 -0.028 0.000 0.986 106 N HN 0.195 nan 8.380 nan 0.000 0.428 107 A N 0.473 123.276 122.820 -0.028 0.000 1.883 107 A HA -0.161 4.153 4.320 -0.009 0.000 0.217 107 A C 2.645 180.223 177.584 -0.010 0.000 1.186 107 A CA 1.389 53.412 52.037 -0.023 0.000 0.624 107 A CB -1.027 17.949 19.000 -0.041 0.000 0.822 107 A HN 0.429 nan 8.150 nan 0.000 0.444 108 C N -0.946 118.349 119.300 -0.008 0.000 2.446 108 C HA -0.060 4.394 4.460 -0.009 0.000 0.277 108 C C 2.500 177.494 174.990 0.007 0.000 1.275 108 C CA 0.992 60.016 59.018 0.011 0.000 1.727 108 C CB -1.043 26.716 27.740 0.032 0.000 2.010 108 C HN 0.675 nan 8.230 nan 0.000 0.486 109 D N 0.694 121.098 120.400 0.006 0.000 2.104 109 D HA -0.157 4.477 4.640 -0.009 0.000 0.194 109 D C 2.114 178.430 176.300 0.028 0.000 0.994 109 D CA 1.641 55.647 54.000 0.010 0.000 0.830 109 D CB -0.238 40.557 40.800 -0.009 0.000 0.959 109 D HN 0.496 nan 8.370 nan 0.000 0.452 110 E N 0.454 120.663 120.200 0.015 0.000 2.047 110 E HA -0.067 4.278 4.350 -0.009 0.000 0.191 110 E C 1.893 178.535 176.600 0.070 0.000 0.987 110 E CA 1.676 58.105 56.400 0.048 0.000 0.799 110 E CB -0.534 29.174 29.700 0.014 0.000 0.752 110 E HN 0.204 nan 8.360 nan 0.000 0.449 111 A N -0.102 122.724 122.820 0.011 0.000 1.908 111 A HA -0.200 4.114 4.320 -0.009 0.000 0.218 111 A C 2.485 179.998 177.584 -0.117 0.000 1.181 111 A CA 2.720 54.736 52.037 -0.034 0.000 0.627 111 A CB -1.408 17.574 19.000 -0.029 0.000 0.818 111 A HN 0.520 nan 8.150 nan 0.000 0.445 112 T N -3.990 110.488 114.554 -0.126 0.000 2.951 112 T HA -0.163 4.182 4.350 -0.009 0.000 0.268 112 T C 1.803 176.418 174.700 -0.142 0.000 1.073 112 T CA 1.399 63.358 62.100 -0.234 0.000 1.134 112 T CB -0.506 68.260 68.868 -0.169 0.000 0.884 112 T HN 0.459 nan 8.240 nan 0.000 0.479 113 Y N 2.108 122.328 120.300 -0.134 0.000 2.145 113 Y HA -0.053 4.492 4.550 -0.008 0.000 0.286 113 Y C 2.634 178.472 175.900 -0.103 0.000 1.145 113 Y CA 1.499 59.540 58.100 -0.099 0.000 1.148 113 Y CB -0.546 37.874 38.460 -0.066 0.000 0.981 113 Y HN 0.222 nan 8.280 nan 0.000 0.507 114 Q N -0.782 118.930 119.800 -0.147 0.000 2.170 114 Q HA -0.150 4.185 4.340 -0.009 0.000 0.203 114 Q C 1.583 177.440 176.000 -0.239 0.000 0.976 114 Q CA 1.209 56.889 55.803 -0.205 0.000 0.858 114 Q CB -0.136 28.567 28.738 -0.059 0.000 0.907 114 Q HN 0.359 nan 8.270 nan 0.000 0.433 115 L N -0.811 120.261 121.223 -0.251 0.000 2.599 115 L HA 0.122 4.456 4.340 -0.009 0.000 0.230 115 L C 1.069 177.769 176.870 -0.284 0.000 1.141 115 L CA 1.163 55.843 54.840 -0.267 0.000 0.877 115 L CB -0.382 41.440 42.059 -0.396 0.000 1.009 115 L HN 0.306 nan 8.230 nan 0.000 0.447 116 G N -0.137 108.473 108.800 -0.316 0.000 2.182 116 G HA2 -0.255 3.699 3.960 -0.009 0.000 0.248 116 G HA3 -0.255 3.699 3.960 -0.009 0.000 0.248 116 G C -0.008 174.749 174.900 -0.239 0.000 1.042 116 G CA 0.259 45.184 45.100 -0.291 0.000 0.775 116 G HN 0.281 nan 8.290 nan 0.000 0.501 117 L N -0.332 120.753 121.223 -0.231 0.000 2.370 117 L HA 0.563 4.897 4.340 -0.009 0.000 0.266 117 L C -0.615 176.223 176.870 -0.053 0.000 1.002 117 L CA -1.190 53.548 54.840 -0.169 0.000 0.818 117 L CB 1.988 43.887 42.059 -0.267 0.000 1.325 117 L HN 0.099 nan 8.230 nan 0.000 0.418 118 D N 2.367 122.767 120.400 0.000 0.000 2.347 118 D HA 0.154 4.789 4.640 -0.009 0.000 0.235 118 D C 0.681 177.012 176.300 0.052 0.000 1.149 118 D CA -0.201 53.827 54.000 0.047 0.000 0.850 118 D CB 1.460 42.291 40.800 0.053 0.000 1.061 118 D HN 0.524 nan 8.370 nan 0.000 0.487 119 M N 3.305 122.937 119.600 0.053 0.000 2.108 119 M HA -0.169 4.306 4.480 -0.009 0.000 0.261 119 M C 1.389 177.734 176.300 0.075 0.000 1.066 119 M CA 1.599 56.938 55.300 0.066 0.000 1.107 119 M CB 0.149 32.782 32.600 0.055 0.000 1.356 119 M HN 0.422 nan 8.290 nan 0.000 0.406 120 E N -0.171 120.064 120.200 0.059 0.000 2.110 120 E HA -0.267 4.078 4.350 -0.009 0.000 0.193 120 E C 1.876 178.511 176.600 0.059 0.000 0.988 120 E CA 1.497 57.929 56.400 0.054 0.000 0.804 120 E CB -0.167 29.561 29.700 0.047 0.000 0.745 120 E HN 0.642 nan 8.360 nan 0.000 0.458 121 E N 0.299 120.538 120.200 0.065 0.000 2.150 121 E HA -0.193 4.152 4.350 -0.009 0.000 0.193 121 E C 1.850 178.494 176.600 0.073 0.000 0.985 121 E CA 0.549 56.988 56.400 0.065 0.000 0.814 121 E CB 0.182 29.922 29.700 0.066 0.000 0.752 121 E HN 0.097 nan 8.360 nan 0.000 0.466 122 L N 1.234 122.520 121.223 0.106 0.000 2.156 122 L HA -0.093 4.242 4.340 -0.009 0.000 0.208 122 L C 1.974 178.905 176.870 0.102 0.000 1.095 122 L CA 1.492 56.426 54.840 0.157 0.000 0.770 122 L CB -0.324 41.881 42.059 0.243 0.000 0.914 122 L HN 0.105 nan 8.230 nan 0.000 0.439 123 E N -0.680 119.568 120.200 0.081 0.000 2.150 123 E HA -0.166 4.179 4.350 -0.009 0.000 0.193 123 E C 1.655 178.211 176.600 -0.074 0.000 0.985 123 E CA 0.628 57.045 56.400 0.028 0.000 0.814 123 E CB -0.013 29.716 29.700 0.048 0.000 0.752 123 E HN 0.414 nan 8.360 nan 0.000 0.466 124 E N 0.452 120.629 120.200 -0.038 0.000 2.409 124 E HA -0.091 4.254 4.350 -0.009 0.000 0.198 124 E C 1.820 178.363 176.600 -0.095 0.000 1.024 124 E CA 0.517 56.897 56.400 -0.034 0.000 0.861 124 E CB 0.081 29.796 29.700 0.025 0.000 0.788 124 E HN 0.425 nan 8.360 nan 0.000 0.521 125 I N 0.661 121.112 120.570 -0.198 0.000 2.716 125 I HA -0.075 4.090 4.170 -0.009 0.000 0.259 125 I C 1.335 177.171 176.117 -0.468 0.000 1.172 125 I CA 0.124 61.254 61.300 -0.283 0.000 1.478 125 I CB 0.109 37.944 38.000 -0.274 0.000 1.104 125 I HN -0.028 nan 8.210 nan 0.000 0.439 126 E N 2.439 122.235 120.200 -0.674 0.000 2.415 126 E HA -0.066 4.279 4.350 -0.009 0.000 0.263 126 E C -0.082 176.434 176.600 -0.140 0.000 0.995 126 E CA -0.144 55.907 56.400 -0.582 0.000 0.915 126 E CB 0.638 30.093 29.700 -0.407 0.000 0.951 126 E HN 0.047 nan 8.360 nan 0.000 0.449 127 E N 2.939 123.156 120.200 0.028 0.000 2.354 127 E HA 0.083 4.428 4.350 -0.009 0.000 0.269 127 E C -1.213 175.503 176.600 0.193 0.000 1.036 127 E CA -0.262 56.242 56.400 0.172 0.000 0.876 127 E CB 0.792 30.687 29.700 0.325 0.000 1.009 127 E HN 0.348 nan 8.360 nan 0.000 0.416 128 D N 1.624 122.104 120.400 0.133 0.000 2.382 128 D HA 0.279 4.913 4.640 -0.009 0.000 0.245 128 D C -0.788 175.521 176.300 0.014 0.000 1.120 128 D CA 0.177 54.215 54.000 0.064 0.000 0.890 128 D CB 0.980 41.799 40.800 0.031 0.000 1.201 128 D HN 0.417 nan 8.370 nan 0.000 0.433 129 A N 2.230 124.993 122.820 -0.095 0.000 2.798 129 A HA 0.481 4.795 4.320 -0.009 0.000 0.316 129 A C 0.934 178.321 177.584 -0.328 0.000 1.506 129 A CA -0.518 51.221 52.037 -0.496 0.000 1.162 129 A CB -0.261 18.547 19.000 -0.320 0.000 1.138 129 A HN 0.508 nan 8.150 nan 0.000 0.532 130 G N 1.763 110.350 108.800 -0.355 0.000 3.541 130 G HA2 0.402 4.357 3.960 -0.009 0.000 0.253 130 G HA3 0.402 4.357 3.960 -0.009 0.000 0.253 130 G C 0.299 174.991 174.900 -0.348 0.000 1.017 130 G CA -0.285 44.710 45.100 -0.176 0.000 1.832 130 G HN 0.685 nan 8.290 nan 0.000 0.649 131 L N 1.478 122.549 121.223 -0.253 0.000 2.955 131 L HA 0.393 4.727 4.340 -0.009 0.000 0.238 131 L C 1.005 177.810 176.870 -0.108 0.000 1.359 131 L CA -0.243 54.548 54.840 -0.082 0.000 1.214 131 L CB -0.419 41.732 42.059 0.153 0.000 1.600 131 L HN 0.324 nan 8.230 nan 0.000 0.442 132 G N -1.140 107.364 108.800 -0.492 0.000 2.646 132 G HA2 0.201 4.155 3.960 -0.009 0.000 0.291 132 G HA3 0.201 4.155 3.960 -0.009 0.000 0.291 132 G C -0.194 174.206 174.900 -0.834 0.000 1.445 132 G CA -0.468 44.295 45.100 -0.563 0.000 0.814 132 G HN -0.045 nan 8.290 nan 0.000 0.495 133 N N -0.759 117.706 118.700 -0.393 0.000 2.436 133 N HA 0.214 4.949 4.740 -0.009 0.000 0.178 133 N C 1.152 176.665 175.510 0.004 0.000 1.026 133 N CA 1.271 54.198 53.050 -0.205 0.000 0.880 133 N CB 1.295 39.773 38.487 -0.015 0.000 1.061 133 N HN 0.822 nan 8.380 nan 0.000 0.434 134 G N -0.638 108.244 108.800 0.137 0.000 2.818 134 G HA2 0.217 4.172 3.960 -0.009 0.000 0.109 134 G HA3 0.217 4.172 3.960 -0.009 0.000 0.109 134 G C 0.739 175.772 174.900 0.221 0.000 1.206 134 G CA 0.230 45.501 45.100 0.285 0.000 1.243 134 G HN 0.151 nan 8.290 nan 0.000 0.609 135 G N 0.478 109.353 108.800 0.125 0.000 2.529 135 G HA2 -0.176 3.779 3.960 -0.009 0.000 0.219 135 G HA3 -0.176 3.779 3.960 -0.009 0.000 0.219 135 G C 1.906 176.801 174.900 -0.008 0.000 1.177 135 G CA 1.620 46.753 45.100 0.055 0.000 0.773 135 G HN 0.852 nan 8.290 nan 0.000 0.573 136 L N 0.640 121.817 121.223 -0.078 0.000 2.012 136 L HA 0.036 4.370 4.340 -0.009 0.000 0.210 136 L C 2.854 179.646 176.870 -0.130 0.000 1.073 136 L CA 2.129 56.814 54.840 -0.258 0.000 0.748 136 L CB -0.597 41.262 42.059 -0.333 0.000 0.891 136 L HN 0.257 nan 8.230 nan 0.000 0.431 137 G N -0.889 107.905 108.800 -0.010 0.000 2.408 137 G HA2 -0.233 3.722 3.960 -0.009 0.000 0.217 137 G HA3 -0.233 3.722 3.960 -0.009 0.000 0.217 137 G C 1.701 176.676 174.900 0.125 0.000 1.150 137 G CA 0.220 45.343 45.100 0.039 0.000 0.776 137 G HN 0.180 nan 8.290 nan 0.000 0.542 138 R N -0.001 120.602 120.500 0.172 0.000 2.090 138 R HA 0.102 4.437 4.340 -0.009 0.000 0.228 138 R C 2.469 178.785 176.300 0.027 0.000 1.110 138 R CA 0.689 56.864 56.100 0.124 0.000 0.973 138 R CB -0.908 29.428 30.300 0.060 0.000 0.869 138 R HN 0.406 nan 8.270 nan 0.000 0.440 139 L N 0.755 121.925 121.223 -0.088 0.000 2.042 139 L HA -0.099 4.235 4.340 -0.009 0.000 0.210 139 L C 2.217 178.817 176.870 -0.449 0.000 1.076 139 L CA 2.202 56.857 54.840 -0.309 0.000 0.749 139 L CB -0.753 41.075 42.059 -0.384 0.000 0.893 139 L HN 0.175 nan 8.230 nan 0.000 0.432 140 A N -0.521 122.143 122.820 -0.259 0.000 1.883 140 A HA -0.193 4.121 4.320 -0.009 0.000 0.217 140 A C 2.456 180.070 177.584 0.051 0.000 1.186 140 A CA 2.098 54.033 52.037 -0.170 0.000 0.624 140 A CB -1.247 17.594 19.000 -0.265 0.000 0.822 140 A HN 0.589 nan 8.150 nan 0.000 0.444 141 A N -1.056 121.843 122.820 0.131 0.000 1.877 141 A HA -0.176 4.138 4.320 -0.009 0.000 0.216 141 A C 2.336 180.006 177.584 0.144 0.000 1.186 141 A CA 1.710 53.862 52.037 0.192 0.000 0.620 141 A CB -1.328 17.775 19.000 0.172 0.000 0.822 141 A HN 0.615 nan 8.150 nan 0.000 0.443 142 C N -1.590 117.799 119.300 0.149 0.000 2.429 142 C HA -0.068 4.386 4.460 -0.009 0.000 0.277 142 C C 2.430 177.588 174.990 0.281 0.000 1.262 142 C CA 0.647 59.792 59.018 0.211 0.000 1.733 142 C CB -1.653 26.242 27.740 0.259 0.000 2.010 142 C HN 0.597 nan 8.230 nan 0.000 0.483 143 F N 0.618 120.551 119.950 -0.028 0.000 2.095 143 F HA -0.099 4.423 4.527 -0.010 0.000 0.298 143 F C 2.127 177.869 175.800 -0.096 0.000 1.104 143 F CA 1.150 59.080 58.000 -0.117 0.000 1.232 143 F CB -1.377 37.408 39.000 -0.359 0.000 0.987 143 F HN 0.087 nan 8.300 nan 0.000 0.475 144 L N 0.325 121.627 121.223 0.132 0.000 2.012 144 L HA -0.254 4.080 4.340 -0.009 0.000 0.210 144 L C 2.199 179.088 176.870 0.030 0.000 1.073 144 L CA 2.128 57.005 54.840 0.063 0.000 0.748 144 L CB -1.292 40.817 42.059 0.084 0.000 0.891 144 L HN 0.129 nan 8.230 nan 0.000 0.431 145 D N -1.542 118.884 120.400 0.043 0.000 2.104 145 D HA -0.186 4.448 4.640 -0.009 0.000 0.194 145 D C 2.153 178.470 176.300 0.028 0.000 0.994 145 D CA 1.585 55.596 54.000 0.018 0.000 0.830 145 D CB 0.118 40.927 40.800 0.015 0.000 0.959 145 D HN 0.213 nan 8.370 nan 0.000 0.452 146 S N -0.837 114.892 115.700 0.048 0.000 2.402 146 S HA -0.081 4.383 4.470 -0.009 0.000 0.229 146 S C 1.973 176.581 174.600 0.013 0.000 1.021 146 S CA 0.799 59.017 58.200 0.030 0.000 0.974 146 S CB -0.197 63.019 63.200 0.027 0.000 0.800 146 S HN 0.354 nan 8.310 nan 0.000 0.484 147 M N 0.891 120.492 119.600 0.002 0.000 2.175 147 M HA -0.046 4.429 4.480 -0.009 0.000 0.264 147 M C 2.452 178.755 176.300 0.006 0.000 1.063 147 M CA 1.300 56.600 55.300 0.001 0.000 1.119 147 M CB -0.490 32.095 32.600 -0.025 0.000 1.377 147 M HN 0.384 nan 8.290 nan 0.000 0.415 148 A N -0.231 122.590 122.820 0.002 0.000 1.929 148 A HA -0.098 4.217 4.320 -0.009 0.000 0.216 148 A C 2.164 179.766 177.584 0.030 0.000 1.176 148 A CA 1.853 53.896 52.037 0.011 0.000 0.628 148 A CB -0.964 18.026 19.000 -0.015 0.000 0.816 148 A HN 0.402 nan 8.150 nan 0.000 0.444 149 T N 0.259 114.835 114.554 0.036 0.000 2.915 149 T HA 0.039 4.383 4.350 -0.009 0.000 0.269 149 T C 1.255 175.986 174.700 0.053 0.000 1.071 149 T CA 0.903 63.038 62.100 0.059 0.000 1.132 149 T CB -0.231 68.679 68.868 0.069 0.000 0.878 149 T HN 0.325 nan 8.240 nan 0.000 0.479 150 L N 0.709 121.959 121.223 0.043 0.000 2.685 150 L HA 0.293 4.628 4.340 -0.009 0.000 0.233 150 L C 1.569 178.473 176.870 0.055 0.000 1.173 150 L CA -0.133 54.734 54.840 0.046 0.000 0.961 150 L CB -0.584 41.499 42.059 0.041 0.000 1.217 150 L HN 0.385 nan 8.230 nan 0.000 0.478 151 G N 1.309 110.147 108.800 0.063 0.000 2.305 151 G HA2 -0.291 3.664 3.960 -0.009 0.000 0.287 151 G HA3 -0.291 3.664 3.960 -0.009 0.000 0.287 151 G C 0.117 175.069 174.900 0.088 0.000 1.036 151 G CA 0.161 45.317 45.100 0.094 0.000 0.887 151 G HN 0.316 nan 8.290 nan 0.000 0.505 152 L N -0.303 120.940 121.223 0.035 0.000 2.334 152 L HA 0.612 4.947 4.340 -0.009 0.000 0.277 152 L C 1.160 177.917 176.870 -0.189 0.000 1.075 152 L CA -0.435 54.379 54.840 -0.044 0.000 0.804 152 L CB 1.653 43.698 42.059 -0.025 0.000 1.174 152 L HN 0.250 nan 8.230 nan 0.000 0.438 153 A N 3.002 125.577 122.820 -0.408 0.000 2.990 153 A HA 0.573 4.887 4.320 -0.009 0.000 0.282 153 A C 0.273 177.496 177.584 -0.601 0.000 1.688 153 A CA -0.165 51.336 52.037 -0.894 0.000 1.391 153 A CB -0.619 17.773 19.000 -1.014 0.000 1.112 153 A HN 0.703 nan 8.150 nan 0.000 0.588 154 A N 1.435 123.947 122.820 -0.514 0.000 2.337 154 A HA 0.817 5.132 4.320 -0.009 0.000 0.331 154 A C -1.067 176.228 177.584 -0.481 0.000 1.137 154 A CA -0.474 51.327 52.037 -0.393 0.000 0.807 154 A CB 0.824 19.681 19.000 -0.239 0.000 1.250 154 A HN 0.620 nan 8.150 nan 0.000 0.468 155 Y N 0.077 120.328 120.300 -0.083 0.000 2.373 155 Y HA 0.530 5.075 4.550 -0.009 0.000 0.336 155 Y C 0.801 176.795 175.900 0.157 0.000 0.979 155 Y CA -0.480 57.643 58.100 0.038 0.000 1.080 155 Y CB 2.408 40.983 38.460 0.192 0.000 1.190 155 Y HN 0.848 nan 8.280 nan 0.000 0.446 156 G N 2.273 111.158 108.800 0.142 0.000 2.338 156 G HA2 0.452 4.406 3.960 -0.009 0.000 0.298 156 G HA3 0.452 4.406 3.960 -0.009 0.000 0.298 156 G C -1.725 173.184 174.900 0.016 0.000 1.140 156 G CA -0.230 44.990 45.100 0.200 0.000 0.860 156 G HN 0.512 nan 8.290 nan 0.000 0.470 157 Y N 0.913 121.451 120.300 0.397 0.000 2.376 157 Y HA 0.647 5.191 4.550 -0.009 0.000 0.340 157 Y C 0.751 176.955 175.900 0.507 0.000 0.965 157 Y CA 0.210 58.511 58.100 0.334 0.000 1.078 157 Y CB 2.731 41.414 38.460 0.372 0.000 1.193 157 Y HN 0.889 nan 8.280 nan 0.000 0.452 158 G N 2.191 111.312 108.800 0.534 0.000 2.664 158 G HA2 0.561 4.515 3.960 -0.009 0.000 0.303 158 G HA3 0.561 4.515 3.960 -0.009 0.000 0.303 158 G C -1.809 173.342 174.900 0.418 0.000 1.243 158 G CA -0.837 44.608 45.100 0.576 0.000 0.826 158 G HN 0.439 nan 8.290 nan 0.000 0.498 159 I N 0.505 121.220 120.570 0.241 0.000 2.441 159 I HA 0.447 4.612 4.170 -0.009 0.000 0.295 159 I C 0.297 176.332 176.117 -0.137 0.000 0.994 159 I CA -0.740 60.590 61.300 0.049 0.000 1.144 159 I CB 2.182 40.021 38.000 -0.267 0.000 1.314 159 I HN 0.378 nan 8.210 nan 0.000 0.445 160 R N 5.991 126.505 120.500 0.024 0.000 2.593 160 R HA 0.251 4.585 4.340 -0.009 0.000 0.282 160 R C -1.339 175.018 176.300 0.095 0.000 1.300 160 R CA -0.456 55.686 56.100 0.071 0.000 1.221 160 R CB -0.001 30.313 30.300 0.023 0.000 1.157 160 R HN 0.393 nan 8.270 nan 0.000 0.555 161 Y N 1.999 122.466 120.300 0.278 0.000 2.442 161 Y HA -0.040 4.504 4.550 -0.009 0.000 0.330 161 Y C 1.516 177.601 175.900 0.308 0.000 1.129 161 Y CA -0.088 58.167 58.100 0.259 0.000 1.365 161 Y CB 0.962 39.560 38.460 0.232 0.000 1.233 161 Y HN 0.590 nan 8.280 nan 0.000 0.529 162 E N 1.556 121.937 120.200 0.301 0.000 2.435 162 E HA 0.008 4.352 4.350 -0.009 0.000 0.195 162 E C -0.791 175.694 176.600 -0.192 0.000 1.029 162 E CA 0.535 56.929 56.400 -0.011 0.000 0.865 162 E CB 0.073 29.622 29.700 -0.251 0.000 0.833 162 E HN 0.445 nan 8.360 nan 0.000 0.510 163 F N 0.981 121.161 119.950 0.383 0.000 2.496 163 F HA 0.479 5.000 4.527 -0.009 0.000 0.341 163 F C 0.807 176.712 175.800 0.175 0.000 1.134 163 F CA -0.992 57.183 58.000 0.293 0.000 0.968 163 F CB 2.083 41.180 39.000 0.162 0.000 1.205 163 F HN -0.040 nan 8.300 nan 0.000 0.436 164 G N 1.939 110.872 108.800 0.222 0.000 2.531 164 G HA2 0.346 4.300 3.960 -0.009 0.000 0.253 164 G HA3 0.346 4.300 3.960 -0.009 0.000 0.253 164 G C -0.480 174.385 174.900 -0.058 0.000 1.439 164 G CA -0.704 44.363 45.100 -0.055 0.000 1.056 164 G HN 0.527 nan 8.290 nan 0.000 0.555 165 I N 0.779 121.233 120.570 -0.193 0.000 2.775 165 I HA 0.196 4.361 4.170 -0.009 0.000 0.290 165 I C 0.516 176.538 176.117 -0.159 0.000 1.203 165 I CA -1.082 60.074 61.300 -0.239 0.000 1.433 165 I CB -0.236 37.529 38.000 -0.392 0.000 1.354 165 I HN 0.332 nan 8.210 nan 0.000 0.579 166 F N 6.525 126.486 119.950 0.019 0.000 2.553 166 F HA 0.291 4.813 4.527 -0.009 0.000 0.356 166 F C 0.406 176.256 175.800 0.084 0.000 1.142 166 F CA -0.610 57.424 58.000 0.056 0.000 1.322 166 F CB -0.286 38.733 39.000 0.032 0.000 1.126 166 F HN 0.428 nan 8.300 nan 0.000 0.599 167 N N 2.632 121.520 118.700 0.314 0.000 2.458 167 N HA 0.056 4.791 4.740 -0.009 0.000 0.270 167 N C -0.827 174.929 175.510 0.410 0.000 1.102 167 N CA -0.292 52.911 53.050 0.255 0.000 0.967 167 N CB 1.232 39.854 38.487 0.224 0.000 1.078 167 N HN 0.762 nan 8.380 nan 0.000 0.471 168 Q N 2.454 122.467 119.800 0.355 0.000 2.274 168 Q HA 0.170 4.504 4.340 -0.009 0.000 0.256 168 Q C -0.966 175.203 176.000 0.282 0.000 0.927 168 Q CA -0.328 55.717 55.803 0.403 0.000 0.939 168 Q CB 0.697 29.683 28.738 0.414 0.000 1.201 168 Q HN 0.209 nan 8.270 nan 0.000 0.426 169 K N 4.152 124.690 120.400 0.231 0.000 2.259 169 K HA 0.472 4.786 4.320 -0.009 0.000 0.252 169 K C -0.730 175.957 176.600 0.145 0.000 0.936 169 K CA -0.855 55.543 56.287 0.184 0.000 0.810 169 K CB 1.596 34.188 32.500 0.152 0.000 1.143 169 K HN 0.626 nan 8.250 nan 0.000 0.427 170 I N 2.396 123.040 120.570 0.122 0.000 2.330 170 I HA 0.226 4.391 4.170 -0.009 0.000 0.289 170 I C -0.232 175.931 176.117 0.077 0.000 1.001 170 I CA -0.701 60.638 61.300 0.066 0.000 1.193 170 I CB 0.694 38.701 38.000 0.011 0.000 1.345 170 I HN 0.379 nan 8.210 nan 0.000 0.461 171 C N 4.065 123.425 119.300 0.100 0.000 2.322 171 C HA 0.594 5.048 4.460 -0.009 0.000 0.324 171 C C 1.140 176.233 174.990 0.171 0.000 1.249 171 C CA -0.324 58.763 59.018 0.114 0.000 1.453 171 C CB 0.511 28.312 27.740 0.102 0.000 2.145 171 C HN 1.091 nan 8.230 nan 0.000 0.466 172 G N 2.524 111.398 108.800 0.124 0.000 2.225 172 G HA2 0.092 4.046 3.960 -0.009 0.000 0.267 172 G HA3 0.092 4.046 3.960 -0.009 0.000 0.267 172 G C 1.087 176.013 174.900 0.043 0.000 1.024 172 G CA 1.011 46.200 45.100 0.147 0.000 0.784 172 G HN 2.367 nan 8.290 nan 0.000 0.507 173 G N -2.903 105.860 108.800 -0.061 0.000 2.176 173 G HA2 -0.286 3.668 3.960 -0.009 0.000 0.253 173 G HA3 -0.286 3.668 3.960 -0.009 0.000 0.253 173 G C 0.366 175.030 174.900 -0.393 0.000 0.979 173 G CA 0.644 45.583 45.100 -0.269 0.000 0.641 173 G HN 1.193 nan 8.290 nan 0.000 0.530 174 W N 0.895 122.134 121.300 -0.102 0.000 2.512 174 W HA 0.668 5.323 4.660 -0.009 0.000 0.335 174 W C 0.651 177.107 176.519 -0.106 0.000 1.088 174 W CA -0.826 56.453 57.345 -0.111 0.000 1.236 174 W CB 0.787 30.200 29.460 -0.077 0.000 1.307 174 W HN 0.256 nan 8.180 nan 0.000 0.567 175 Q N 2.911 122.800 119.800 0.148 0.000 2.314 175 Q HA 0.287 4.621 4.340 -0.009 0.000 0.258 175 Q C -0.648 175.398 176.000 0.076 0.000 0.954 175 Q CA 0.107 55.961 55.803 0.086 0.000 0.890 175 Q CB 0.589 29.369 28.738 0.070 0.000 1.210 175 Q HN 0.323 nan 8.270 nan 0.000 0.410 176 M N 3.076 122.715 119.600 0.065 0.000 2.395 176 M HA 0.390 4.864 4.480 -0.009 0.000 0.307 176 M C -1.254 175.042 176.300 -0.006 0.000 1.091 176 M CA -0.687 54.621 55.300 0.014 0.000 0.919 176 M CB 1.887 34.513 32.600 0.044 0.000 1.662 176 M HN 0.623 nan 8.290 nan 0.000 0.440 177 E N 1.737 121.864 120.200 -0.122 0.000 2.191 177 E HA 0.536 4.881 4.350 -0.009 0.000 0.274 177 E C -0.748 175.836 176.600 -0.027 0.000 0.948 177 E CA -0.634 55.663 56.400 -0.172 0.000 0.802 177 E CB 1.784 31.111 29.700 -0.621 0.000 1.137 177 E HN 0.527 nan 8.360 nan 0.000 0.397 178 E N 0.861 121.124 120.200 0.105 0.000 2.292 178 E HA 0.685 5.029 4.350 -0.009 0.000 0.272 178 E C -1.090 175.601 176.600 0.151 0.000 0.881 178 E CA -1.447 55.010 56.400 0.095 0.000 0.754 178 E CB 1.439 31.203 29.700 0.106 0.000 1.201 178 E HN 0.490 nan 8.360 nan 0.000 0.425 179 A N 2.576 125.446 122.820 0.083 0.000 2.587 179 A HA -0.002 4.313 4.320 -0.009 0.000 0.235 179 A C 0.053 177.813 177.584 0.292 0.000 1.044 179 A CA 0.615 52.720 52.037 0.114 0.000 0.754 179 A CB -0.066 18.877 19.000 -0.096 0.000 0.968 179 A HN 0.702 nan 8.150 nan 0.000 0.509 180 D N 1.746 122.390 120.400 0.406 0.000 2.524 180 D HA 0.192 4.826 4.640 -0.009 0.000 0.222 180 D C -0.420 176.192 176.300 0.519 0.000 1.142 180 D CA -0.279 53.956 54.000 0.391 0.000 0.973 180 D CB 0.258 41.225 40.800 0.279 0.000 1.025 180 D HN 0.385 nan 8.370 nan 0.000 0.519 181 D N 3.453 124.119 120.400 0.443 0.000 2.688 181 D HA -0.037 4.597 4.640 -0.009 0.000 0.228 181 D C 1.187 177.594 176.300 0.179 0.000 1.116 181 D CA -0.537 53.609 54.000 0.244 0.000 1.023 181 D CB -0.191 40.760 40.800 0.251 0.000 1.100 181 D HN 0.541 nan 8.370 nan 0.000 0.487 182 W N 2.182 123.498 121.300 0.026 0.000 2.525 182 W HA -0.033 4.622 4.660 -0.009 0.000 0.259 182 W C 0.160 176.719 176.519 0.067 0.000 1.253 182 W CA 0.078 57.466 57.345 0.072 0.000 1.262 182 W CB -0.725 28.787 29.460 0.087 0.000 1.122 182 W HN 0.201 nan 8.180 nan 0.000 0.607 183 L N 0.889 121.730 121.223 -0.636 0.000 2.607 183 L HA 0.155 4.490 4.340 -0.009 0.000 0.228 183 L C 2.775 179.462 176.870 -0.305 0.000 1.123 183 L CA 0.027 54.472 54.840 -0.658 0.000 0.890 183 L CB -0.648 40.910 42.059 -0.836 0.000 1.103 183 L HN -0.102 nan 8.230 nan 0.000 0.468 184 R N 0.777 121.142 120.500 -0.225 0.000 2.159 184 R HA -0.260 4.074 4.340 -0.009 0.000 0.249 184 R C 1.523 177.639 176.300 -0.307 0.000 1.136 184 R CA 2.310 58.245 56.100 -0.275 0.000 0.951 184 R CB -0.289 29.810 30.300 -0.337 0.000 0.876 184 R HN 0.295 nan 8.270 nan 0.000 0.440 185 Y N -0.661 119.641 120.300 0.004 0.000 2.466 185 Y HA 0.325 4.870 4.550 -0.009 0.000 0.272 185 Y C 0.864 176.730 175.900 -0.057 0.000 1.169 185 Y CA 0.564 58.669 58.100 0.008 0.000 1.285 185 Y CB 0.858 39.418 38.460 0.167 0.000 1.078 185 Y HN 0.482 nan 8.280 nan 0.000 0.523 186 G N 1.201 110.036 108.800 0.059 0.000 2.629 186 G HA2 -0.178 3.777 3.960 -0.009 0.000 0.686 186 G HA3 -0.178 3.777 3.960 -0.009 0.000 0.686 186 G C -1.365 173.609 174.900 0.124 0.000 1.232 186 G CA -0.868 44.233 45.100 0.001 0.000 0.803 186 G HN 0.245 nan 8.290 nan 0.000 0.638 187 N N 1.241 119.961 118.700 0.033 0.000 2.531 187 N HA 0.587 5.321 4.740 -0.009 0.000 0.268 187 N C -0.660 174.855 175.510 0.009 0.000 1.023 187 N CA -1.880 51.218 53.050 0.080 0.000 0.896 187 N CB 2.136 40.609 38.487 -0.024 0.000 1.233 187 N HN 0.271 nan 8.380 nan 0.000 0.512 188 P HA 0.023 nan 4.420 nan 0.000 0.233 188 P C 0.433 177.378 177.300 -0.591 0.000 1.167 188 P CA 0.660 63.440 63.100 -0.532 0.000 0.770 188 P CB 0.107 31.227 31.700 -0.966 0.000 0.837 189 W N 1.873 123.183 121.300 0.018 0.000 2.640 189 W HA 0.081 4.736 4.660 -0.009 0.000 0.268 189 W C 1.282 177.842 176.519 0.068 0.000 1.263 189 W CA -0.330 57.022 57.345 0.012 0.000 1.344 189 W CB -0.290 29.180 29.460 0.017 0.000 1.093 189 W HN -0.012 nan 8.180 nan 0.000 0.603 190 E N 1.865 122.238 120.200 0.288 0.000 2.349 190 E HA 0.308 4.652 4.350 -0.009 0.000 0.265 190 E C -0.569 176.191 176.600 0.266 0.000 1.064 190 E CA -0.650 55.928 56.400 0.297 0.000 0.886 190 E CB 1.266 31.152 29.700 0.311 0.000 1.036 190 E HN -0.325 nan 8.360 nan 0.000 0.413 191 K N 1.610 122.178 120.400 0.281 0.000 2.535 191 K HA 0.417 4.731 4.320 -0.009 0.000 0.253 191 K C -1.260 175.335 176.600 -0.008 0.000 0.953 191 K CA -0.500 55.878 56.287 0.151 0.000 0.863 191 K CB 1.586 34.184 32.500 0.164 0.000 1.111 191 K HN 0.664 nan 8.250 nan 0.000 0.431 192 A N 4.144 126.867 122.820 -0.162 0.000 2.477 192 A HA 0.380 4.694 4.320 -0.009 0.000 0.246 192 A C -0.220 177.118 177.584 -0.410 0.000 1.078 192 A CA -0.156 51.532 52.037 -0.581 0.000 0.770 192 A CB 0.229 18.895 19.000 -0.557 0.000 1.011 192 A HN 0.663 nan 8.150 nan 0.000 0.494 193 R N 3.101 123.328 120.500 -0.455 0.000 2.886 193 R HA 0.194 4.529 4.340 -0.009 0.000 0.306 193 R C -2.288 173.772 176.300 -0.401 0.000 1.300 193 R CA -1.656 54.185 56.100 -0.432 0.000 1.441 193 R CB 0.573 30.695 30.300 -0.297 0.000 1.328 193 R HN 0.608 nan 8.270 nan 0.000 0.629 194 P HA -0.190 nan 4.420 nan 0.000 0.222 194 P C 0.705 177.907 177.300 -0.163 0.000 1.142 194 P CA 1.173 64.162 63.100 -0.184 0.000 0.788 194 P CB 0.377 31.988 31.700 -0.149 0.000 0.767 195 E N -0.229 119.763 120.200 -0.348 0.000 2.482 195 E HA -0.082 4.263 4.350 -0.009 0.000 0.196 195 E C 1.031 177.618 176.600 -0.021 0.000 1.047 195 E CA 0.455 56.687 56.400 -0.280 0.000 0.869 195 E CB -0.875 28.554 29.700 -0.451 0.000 0.836 195 E HN 0.416 nan 8.360 nan 0.000 0.520 196 F N 1.602 121.566 119.950 0.023 0.000 2.668 196 F HA 0.223 4.744 4.527 -0.009 0.000 0.301 196 F C 0.476 176.372 175.800 0.159 0.000 1.106 196 F CA -0.798 57.246 58.000 0.074 0.000 1.289 196 F CB 0.702 39.736 39.000 0.057 0.000 1.006 196 F HN -0.263 nan 8.300 nan 0.000 0.535 197 T N 3.027 117.744 114.554 0.271 0.000 2.928 197 T HA 0.185 4.529 4.350 -0.009 0.000 0.305 197 T C -0.233 174.576 174.700 0.181 0.000 1.035 197 T CA 0.379 62.626 62.100 0.245 0.000 1.145 197 T CB 0.786 69.745 68.868 0.153 0.000 0.963 197 T HN -0.106 nan 8.240 nan 0.000 0.545 198 L N 5.829 127.120 121.223 0.114 0.000 2.370 198 L HA 0.572 4.906 4.340 -0.009 0.000 0.266 198 L C -2.182 174.628 176.870 -0.100 0.000 1.002 198 L CA -2.476 52.347 54.840 -0.029 0.000 0.818 198 L CB 1.967 43.930 42.059 -0.160 0.000 1.325 198 L HN 0.389 nan 8.230 nan 0.000 0.418 199 P HA 0.360 nan 4.420 nan 0.000 0.290 199 P C -1.229 175.890 177.300 -0.302 0.000 1.276 199 P CA -0.406 62.582 63.100 -0.187 0.000 0.808 199 P CB 1.972 33.562 31.700 -0.183 0.000 0.966 200 V N 4.246 123.968 119.914 -0.319 0.000 2.604 200 V HA 0.327 4.442 4.120 -0.009 0.000 0.305 200 V C 0.208 176.024 176.094 -0.463 0.000 1.043 200 V CA -0.606 61.486 62.300 -0.348 0.000 0.888 200 V CB 1.469 33.161 31.823 -0.219 0.000 0.995 200 V HN 0.612 nan 8.190 nan 0.000 0.429 201 H N 3.892 122.778 119.070 -0.307 0.000 2.472 201 H HA 0.621 5.172 4.556 -0.009 0.000 0.338 201 H C -1.292 173.722 175.328 -0.523 0.000 1.133 201 H CA -0.186 55.605 56.048 -0.428 0.000 1.216 201 H CB 1.869 31.138 29.762 -0.821 0.000 1.497 201 H HN 0.474 nan 8.280 nan 0.000 0.500 202 F N 0.464 120.459 119.950 0.075 0.000 2.599 202 F HA 0.214 4.735 4.527 -0.009 0.000 0.311 202 F C -0.287 175.596 175.800 0.137 0.000 1.076 202 F CA -0.557 57.469 58.000 0.042 0.000 0.937 202 F CB 1.118 40.026 39.000 -0.152 0.000 1.282 202 F HN 0.545 nan 8.300 nan 0.000 0.460 203 Y N 0.277 120.869 120.300 0.487 0.000 2.904 203 Y HA -0.024 4.520 4.550 -0.009 0.000 0.466 203 Y C 1.412 177.570 175.900 0.430 0.000 1.202 203 Y CA 0.602 58.912 58.100 0.350 0.000 2.491 203 Y CB -1.945 36.650 38.460 0.224 0.000 1.237 203 Y HN 1.300 nan 8.280 nan 0.000 0.633 204 G N 0.842 109.922 108.800 0.468 0.000 2.598 204 G HA2 0.076 4.031 3.960 -0.009 0.000 0.244 204 G HA3 0.076 4.031 3.960 -0.009 0.000 0.244 204 G C -0.411 174.700 174.900 0.353 0.000 1.302 204 G CA 1.140 46.435 45.100 0.324 0.000 0.903 204 G HN 1.347 nan 8.290 nan 0.000 0.575 205 R N -2.720 117.981 120.500 0.334 0.000 2.766 205 R HA 0.738 5.072 4.340 -0.009 0.000 0.270 205 R C -1.463 174.961 176.300 0.207 0.000 1.035 205 R CA -0.924 55.310 56.100 0.223 0.000 0.911 205 R CB 1.267 31.646 30.300 0.131 0.000 1.243 205 R HN 0.926 nan 8.270 nan 0.000 0.460 206 V N 0.673 120.622 119.914 0.059 0.000 2.417 206 V HA 0.393 4.507 4.120 -0.009 0.000 0.291 206 V C -0.384 175.633 176.094 -0.128 0.000 1.024 206 V CA -0.621 61.644 62.300 -0.058 0.000 0.861 206 V CB 1.439 33.159 31.823 -0.172 0.000 0.985 206 V HN 0.679 nan 8.190 nan 0.000 0.436 207 E N 2.783 122.888 120.200 -0.159 0.000 2.171 207 E HA 0.424 4.768 4.350 -0.009 0.000 0.271 207 E C -1.099 175.355 176.600 -0.242 0.000 0.916 207 E CA -0.739 55.584 56.400 -0.128 0.000 0.774 207 E CB 1.085 30.764 29.700 -0.034 0.000 1.128 207 E HN 0.671 nan 8.360 nan 0.000 0.403 208 H N 2.616 121.699 119.070 0.021 0.000 2.641 208 H HA 0.167 4.718 4.556 -0.009 0.000 0.295 208 H C 0.121 175.457 175.328 0.013 0.000 1.070 208 H CA -0.228 55.829 56.048 0.014 0.000 1.257 208 H CB 0.768 30.534 29.762 0.007 0.000 1.393 208 H HN 0.541 nan 8.280 nan 0.000 0.464 209 T N -0.556 114.055 114.554 0.095 0.000 2.884 209 T HA 0.182 4.526 4.350 -0.009 0.000 0.277 209 T C 1.582 176.319 174.700 0.062 0.000 0.976 209 T CA -0.624 61.514 62.100 0.063 0.000 0.956 209 T CB 1.160 70.050 68.868 0.036 0.000 1.113 209 T HN 0.342 nan 8.240 nan 0.000 0.554 210 S N 0.295 116.020 115.700 0.042 0.000 2.378 210 S HA -0.170 4.294 4.470 -0.009 0.000 0.229 210 S C 1.047 175.669 174.600 0.036 0.000 1.052 210 S CA 1.490 59.710 58.200 0.034 0.000 1.084 210 S CB -0.504 62.711 63.200 0.025 0.000 0.950 210 S HN 0.756 nan 8.310 nan 0.000 0.440 211 Q N 0.465 120.286 119.800 0.036 0.000 2.706 211 Q HA 0.553 4.888 4.340 -0.009 0.000 0.250 211 Q C 0.040 176.065 176.000 0.042 0.000 1.120 211 Q CA 0.379 56.204 55.803 0.036 0.000 0.972 211 Q CB 0.589 29.344 28.738 0.028 0.000 1.173 211 Q HN 0.535 nan 8.270 nan 0.000 0.522 212 G N 0.684 109.519 108.800 0.059 0.000 2.662 212 G HA2 0.154 4.109 3.960 -0.009 0.000 0.686 212 G HA3 0.154 4.109 3.960 -0.009 0.000 0.686 212 G C -0.853 174.092 174.900 0.075 0.000 1.271 212 G CA -0.650 44.491 45.100 0.069 0.000 0.816 212 G HN 0.682 nan 8.290 nan 0.000 0.608 213 A N 0.630 123.490 122.820 0.066 0.000 2.316 213 A HA 0.810 5.124 4.320 -0.009 0.000 0.284 213 A C 0.426 177.977 177.584 -0.054 0.000 1.115 213 A CA 0.021 52.032 52.037 -0.043 0.000 0.812 213 A CB 0.820 19.768 19.000 -0.086 0.000 1.064 213 A HN 0.786 nan 8.150 nan 0.000 0.489 214 K N 0.617 120.966 120.400 -0.084 0.000 2.371 214 K HA 0.255 4.570 4.320 -0.009 0.000 0.251 214 K C -1.767 174.867 176.600 0.057 0.000 0.934 214 K CA -0.409 55.873 56.287 -0.008 0.000 0.798 214 K CB 2.233 34.728 32.500 -0.008 0.000 1.204 214 K HN 0.719 nan 8.250 nan 0.000 0.427 215 W N 5.108 126.327 121.300 -0.135 0.000 2.291 215 W HA 0.358 5.012 4.660 -0.009 0.000 0.312 215 W C -0.760 175.687 176.519 -0.119 0.000 1.061 215 W CA -0.849 56.420 57.345 -0.127 0.000 1.296 215 W CB 0.192 29.568 29.460 -0.139 0.000 1.223 215 W HN 0.334 nan 8.180 nan 0.000 0.421 216 V N 2.758 122.737 119.914 0.108 0.000 3.158 216 V HA 0.605 4.720 4.120 -0.009 0.000 0.315 216 V C -0.059 176.012 176.094 -0.038 0.000 1.148 216 V CA -0.914 61.358 62.300 -0.046 0.000 1.042 216 V CB 1.948 33.767 31.823 -0.007 0.000 1.101 216 V HN 0.480 nan 8.190 nan 0.000 0.448 217 D N 0.372 120.741 120.400 -0.053 0.000 2.723 217 D HA -0.143 4.491 4.640 -0.009 0.000 0.236 217 D C 0.533 176.834 176.300 0.001 0.000 1.138 217 D CA 1.440 55.432 54.000 -0.013 0.000 0.676 217 D CB -1.563 39.252 40.800 0.026 0.000 1.069 217 D HN 1.273 nan 8.370 nan 0.000 0.430 218 T N -3.042 111.462 114.554 -0.084 0.000 2.902 218 T HA 0.387 4.732 4.350 -0.009 0.000 0.280 218 T C 0.263 175.020 174.700 0.095 0.000 0.992 218 T CA -0.786 61.288 62.100 -0.044 0.000 1.015 218 T CB 2.704 71.348 68.868 -0.373 0.000 1.044 218 T HN 0.155 nan 8.240 nan 0.000 0.520 219 Q N 1.001 120.932 119.800 0.218 0.000 2.257 219 Q HA 0.502 4.837 4.340 -0.009 0.000 0.255 219 Q C -1.376 174.748 176.000 0.206 0.000 0.920 219 Q CA -0.769 55.176 55.803 0.237 0.000 0.927 219 Q CB 1.169 30.137 28.738 0.383 0.000 1.229 219 Q HN 0.631 nan 8.270 nan 0.000 0.433 220 V N 4.516 124.497 119.914 0.113 0.000 2.427 220 V HA 0.418 4.532 4.120 -0.009 0.000 0.286 220 V C -0.336 175.815 176.094 0.095 0.000 1.034 220 V CA -0.583 61.716 62.300 -0.002 0.000 0.893 220 V CB 1.651 33.421 31.823 -0.090 0.000 0.982 220 V HN 0.582 nan 8.190 nan 0.000 0.452 221 V N 6.037 126.030 119.914 0.132 0.000 2.604 221 V HA 0.494 4.608 4.120 -0.009 0.000 0.305 221 V C -0.213 175.987 176.094 0.177 0.000 1.043 221 V CA -0.641 61.787 62.300 0.213 0.000 0.888 221 V CB 1.970 34.019 31.823 0.376 0.000 0.995 221 V HN 0.632 nan 8.190 nan 0.000 0.429 222 L N 3.488 124.820 121.223 0.182 0.000 2.334 222 L HA 0.761 5.096 4.340 -0.009 0.000 0.277 222 L C 0.426 177.476 176.870 0.300 0.000 1.075 222 L CA -0.411 54.528 54.840 0.165 0.000 0.804 222 L CB 1.501 43.639 42.059 0.132 0.000 1.174 222 L HN 0.763 nan 8.230 nan 0.000 0.438 223 A N 5.102 128.031 122.820 0.183 0.000 2.256 223 A HA 0.579 4.894 4.320 -0.009 0.000 0.317 223 A C -0.489 177.368 177.584 0.455 0.000 1.318 223 A CA -0.453 51.719 52.037 0.225 0.000 0.894 223 A CB 0.844 19.514 19.000 -0.549 0.000 1.165 223 A HN 0.780 nan 8.150 nan 0.000 0.525 224 M N 6.207 126.138 119.600 0.552 0.000 2.180 224 M HA 0.445 4.920 4.480 -0.009 0.000 0.350 224 M C -2.583 173.996 176.300 0.465 0.000 1.125 224 M CA -2.149 53.414 55.300 0.438 0.000 1.031 224 M CB 2.161 34.940 32.600 0.298 0.000 1.623 224 M HN 0.390 nan 8.290 nan 0.000 0.451 225 P HA 0.255 nan 4.420 nan 0.000 0.286 225 P C -1.966 175.254 177.300 -0.135 0.000 1.261 225 P CA -0.170 62.834 63.100 -0.161 0.000 0.821 225 P CB 0.770 32.144 31.700 -0.544 0.000 1.013 226 Y N 0.606 120.834 120.300 -0.120 0.000 2.326 226 Y HA 0.295 4.840 4.550 -0.009 0.000 0.329 226 Y C 0.200 176.092 175.900 -0.014 0.000 0.973 226 Y CA -0.344 57.743 58.100 -0.020 0.000 1.162 226 Y CB 1.260 39.740 38.460 0.033 0.000 1.147 226 Y HN 0.212 nan 8.280 nan 0.000 0.456 227 D N 2.016 122.519 120.400 0.172 0.000 2.210 227 D HA 0.402 5.037 4.640 -0.009 0.000 0.249 227 D C -0.501 176.039 176.300 0.399 0.000 1.078 227 D CA -0.116 54.044 54.000 0.266 0.000 0.875 227 D CB 1.681 42.672 40.800 0.319 0.000 1.175 227 D HN 0.364 nan 8.370 nan 0.000 0.440 228 T N 3.206 117.905 114.554 0.242 0.000 2.841 228 T HA 0.435 4.780 4.350 -0.009 0.000 0.285 228 T C -2.539 172.003 174.700 -0.264 0.000 0.991 228 T CA -1.416 60.716 62.100 0.055 0.000 0.966 228 T CB 2.119 71.012 68.868 0.042 0.000 0.962 228 T HN 0.183 nan 8.240 nan 0.000 0.438 229 P HA 0.296 nan 4.420 nan 0.000 0.275 229 P C -0.987 175.980 177.300 -0.555 0.000 1.227 229 P CA -0.361 62.034 63.100 -1.176 0.000 0.781 229 P CB 0.886 31.673 31.700 -1.520 0.000 0.906 230 V N 5.400 125.052 119.914 -0.436 0.000 2.340 230 V HA 0.255 4.369 4.120 -0.009 0.000 0.277 230 V C -2.008 173.961 176.094 -0.210 0.000 1.017 230 V CA -1.900 60.246 62.300 -0.257 0.000 0.820 230 V CB 1.421 33.144 31.823 -0.167 0.000 1.028 230 V HN 0.556 nan 8.190 nan 0.000 0.436 231 P HA 0.259 nan 4.420 nan 0.000 0.280 231 P C 0.341 177.596 177.300 -0.075 0.000 1.244 231 P CA 0.320 63.339 63.100 -0.136 0.000 0.784 231 P CB 1.747 33.363 31.700 -0.141 0.000 0.913 232 G N 2.383 111.156 108.800 -0.044 0.000 2.599 232 G HA2 0.141 4.095 3.960 -0.009 0.000 0.264 232 G HA3 0.141 4.095 3.960 -0.009 0.000 0.264 232 G C -1.184 173.731 174.900 0.025 0.000 1.200 232 G CA -0.600 44.502 45.100 0.004 0.000 0.896 232 G HN 0.526 nan 8.290 nan 0.000 0.536 233 Y N 0.471 120.737 120.300 -0.056 0.000 2.584 233 Y HA 0.276 4.820 4.550 -0.010 0.000 0.351 233 Y C 1.268 177.134 175.900 -0.056 0.000 1.030 233 Y CA -0.202 57.860 58.100 -0.063 0.000 1.332 233 Y CB 0.136 38.557 38.460 -0.065 0.000 1.148 233 Y HN 0.709 nan 8.280 nan 0.000 0.528 234 R N 2.742 122.914 120.500 -0.547 0.000 3.722 234 R HA -0.322 4.013 4.340 -0.009 0.000 0.284 234 R C 0.062 176.228 176.300 -0.223 0.000 1.165 234 R CA 1.524 57.346 56.100 -0.463 0.000 0.779 234 R CB -1.880 27.987 30.300 -0.720 0.000 1.179 234 R HN 0.944 nan 8.270 nan 0.000 0.491 235 N N -1.349 117.273 118.700 -0.129 0.000 2.177 235 N HA 0.067 4.802 4.740 -0.009 0.000 0.218 235 N C -0.212 175.260 175.510 -0.063 0.000 1.182 235 N CA -0.332 52.676 53.050 -0.070 0.000 0.882 235 N CB 0.517 38.990 38.487 -0.022 0.000 1.052 235 N HN 0.084 nan 8.380 nan 0.000 0.519 236 N N -0.192 118.464 118.700 -0.074 0.000 2.753 236 N HA -0.133 4.602 4.740 -0.009 0.000 0.251 236 N C -1.016 174.464 175.510 -0.051 0.000 1.097 236 N CA 0.576 53.590 53.050 -0.059 0.000 0.786 236 N CB -1.255 37.196 38.487 -0.059 0.000 1.137 236 N HN 0.191 nan 8.380 nan 0.000 0.566 237 V N 1.114 121.003 119.914 -0.041 0.000 2.439 237 V HA 0.477 4.592 4.120 -0.009 0.000 0.282 237 V C 0.530 176.608 176.094 -0.028 0.000 1.039 237 V CA -0.522 61.764 62.300 -0.024 0.000 0.913 237 V CB 2.224 34.058 31.823 0.018 0.000 0.983 237 V HN -0.045 nan 8.190 nan 0.000 0.460 238 V N 5.367 125.272 119.914 -0.015 0.000 2.419 238 V HA 0.429 4.544 4.120 -0.009 0.000 0.287 238 V C -0.095 176.002 176.094 0.006 0.000 1.017 238 V CA -0.857 61.405 62.300 -0.063 0.000 0.844 238 V CB 1.406 33.176 31.823 -0.089 0.000 1.011 238 V HN 0.838 nan 8.190 nan 0.000 0.429 239 N N 1.949 120.626 118.700 -0.038 0.000 2.418 239 N HA 0.554 5.289 4.740 -0.009 0.000 0.283 239 N C -0.017 175.493 175.510 0.001 0.000 1.267 239 N CA -0.256 52.796 53.050 0.004 0.000 0.975 239 N CB 1.165 39.610 38.487 -0.071 0.000 1.167 239 N HN 0.570 nan 8.380 nan 0.000 0.581 240 T N 0.735 115.306 114.554 0.028 0.000 2.841 240 T HA 0.416 4.760 4.350 -0.009 0.000 0.283 240 T C -0.278 174.419 174.700 -0.005 0.000 1.000 240 T CA -0.519 61.668 62.100 0.146 0.000 0.977 240 T CB 1.160 70.263 68.868 0.393 0.000 0.979 240 T HN 0.322 nan 8.240 nan 0.000 0.446 241 M N 3.733 123.293 119.600 -0.066 0.000 2.114 241 M HA 0.516 4.990 4.480 -0.009 0.000 0.332 241 M C -0.536 175.637 176.300 -0.212 0.000 1.014 241 M CA -0.742 54.425 55.300 -0.221 0.000 0.956 241 M CB 0.742 33.164 32.600 -0.297 0.000 1.551 241 M HN 0.479 nan 8.290 nan 0.000 0.427 242 R N 4.788 125.058 120.500 -0.383 0.000 2.265 242 R HA 0.548 4.882 4.340 -0.009 0.000 0.328 242 R C -1.975 174.078 176.300 -0.412 0.000 0.969 242 R CA -0.582 55.254 56.100 -0.440 0.000 0.832 242 R CB 0.878 30.750 30.300 -0.713 0.000 1.139 242 R HN 0.653 nan 8.270 nan 0.000 0.457 243 L N 5.639 126.711 121.223 -0.253 0.000 2.313 243 L HA 0.456 4.790 4.340 -0.009 0.000 0.283 243 L C -1.006 175.837 176.870 -0.046 0.000 1.013 243 L CA -0.482 54.305 54.840 -0.089 0.000 0.816 243 L CB 1.098 43.180 42.059 0.037 0.000 1.236 243 L HN 0.616 nan 8.230 nan 0.000 0.419 244 W N 2.308 123.741 121.300 0.220 0.000 2.316 244 W HA 0.594 5.249 4.660 -0.009 0.000 0.321 244 W C 0.618 177.367 176.519 0.383 0.000 1.203 244 W CA -0.196 57.305 57.345 0.259 0.000 1.214 244 W CB 1.374 30.865 29.460 0.051 0.000 1.169 244 W HN 0.431 nan 8.180 nan 0.000 0.561 245 S N 1.569 117.692 115.700 0.705 0.000 2.513 245 S HA 0.779 5.244 4.470 -0.009 0.000 0.299 245 S C -0.569 174.394 174.600 0.605 0.000 1.087 245 S CA -0.739 57.774 58.200 0.522 0.000 1.012 245 S CB 0.728 64.166 63.200 0.396 0.000 1.044 245 S HN 0.521 nan 8.310 nan 0.000 0.485 246 A N 4.623 127.636 122.820 0.321 0.000 2.320 246 A HA 0.668 4.982 4.320 -0.009 0.000 0.287 246 A C -0.168 177.521 177.584 0.175 0.000 1.181 246 A CA -0.322 51.820 52.037 0.176 0.000 0.831 246 A CB 0.365 19.196 19.000 -0.282 0.000 1.102 246 A HN 0.632 nan 8.150 nan 0.000 0.513 247 K N 1.153 121.678 120.400 0.209 0.000 2.422 247 K HA 0.629 4.943 4.320 -0.009 0.000 0.251 247 K C -0.552 176.125 176.600 0.128 0.000 0.933 247 K CA -0.441 55.938 56.287 0.154 0.000 0.798 247 K CB 2.270 34.872 32.500 0.169 0.000 1.238 247 K HN 0.822 nan 8.250 nan 0.000 0.428 248 A N 4.242 127.118 122.820 0.093 0.000 2.354 248 A HA 0.485 4.800 4.320 -0.009 0.000 0.269 248 A C -2.127 175.509 177.584 0.087 0.000 1.109 248 A CA -1.150 50.939 52.037 0.086 0.000 0.800 248 A CB -0.144 18.893 19.000 0.061 0.000 1.045 248 A HN 0.367 nan 8.150 nan 0.000 0.489 249 P HA 0.113 nan 4.420 nan 0.000 0.274 249 P C -0.087 177.268 177.300 0.091 0.000 1.231 249 P CA -0.302 62.850 63.100 0.087 0.000 0.790 249 P CB 0.580 32.330 31.700 0.084 0.000 0.951 250 N N 0.426 119.175 118.700 0.081 0.000 2.609 250 N HA -0.122 4.613 4.740 -0.009 0.000 0.190 250 N C 0.933 176.512 175.510 0.115 0.000 1.157 250 N CA 0.124 53.222 53.050 0.080 0.000 0.918 250 N CB -0.123 38.404 38.487 0.067 0.000 0.978 250 N HN 0.437 nan 8.380 nan 0.000 0.448 251 D N -0.233 120.251 120.400 0.140 0.000 2.117 251 D HA 0.013 4.647 4.640 -0.009 0.000 0.198 251 D C 0.010 176.539 176.300 0.383 0.000 0.982 251 D CA 1.220 55.335 54.000 0.191 0.000 0.828 251 D CB 0.308 41.189 40.800 0.135 0.000 0.967 251 D HN 0.033 nan 8.370 nan 0.000 0.464 262 Y N 2.440 122.725 120.300 -0.026 0.000 2.145 262 Y HA -0.057 4.488 4.550 -0.009 0.000 0.286 262 Y C 2.367 178.223 175.900 -0.074 0.000 1.145 262 Y CA 1.904 59.974 58.100 -0.050 0.000 1.148 262 Y CB 0.048 38.492 38.460 -0.026 0.000 0.981 262 Y HN 0.381 nan 8.280 nan 0.000 0.507 263 I N 0.538 120.984 120.570 -0.206 0.000 2.127 263 I HA -0.306 3.858 4.170 -0.009 0.000 0.241 263 I C 2.402 178.358 176.117 -0.269 0.000 1.075 263 I CA 1.511 62.641 61.300 -0.283 0.000 1.334 263 I CB -1.390 36.573 38.000 -0.062 0.000 1.040 263 I HN 0.369 nan 8.210 nan 0.000 0.405 264 Q N 0.531 120.231 119.800 -0.168 0.000 2.135 264 Q HA -0.148 4.187 4.340 -0.009 0.000 0.204 264 Q C 2.351 178.222 176.000 -0.215 0.000 0.981 264 Q CA 1.924 57.641 55.803 -0.144 0.000 0.856 264 Q CB -0.297 28.394 28.738 -0.078 0.000 0.902 264 Q HN 0.555 nan 8.270 nan 0.000 0.425 265 A N -0.188 122.447 122.820 -0.310 0.000 1.902 265 A HA -0.124 4.191 4.320 -0.009 0.000 0.217 265 A C 2.380 179.682 177.584 -0.470 0.000 1.181 265 A CA 1.549 53.288 52.037 -0.497 0.000 0.623 265 A CB -0.582 17.998 19.000 -0.700 0.000 0.818 265 A HN 0.229 nan 8.150 nan 0.000 0.443 266 V N 0.171 119.808 119.914 -0.462 0.000 2.427 266 V HA -0.216 3.898 4.120 -0.009 0.000 0.248 266 V C 2.473 178.429 176.094 -0.230 0.000 1.051 266 V CA 1.805 63.885 62.300 -0.367 0.000 1.048 266 V CB -0.698 30.854 31.823 -0.451 0.000 0.666 266 V HN 0.568 nan 8.190 nan 0.000 0.456 267 L N -0.401 120.699 121.223 -0.204 0.000 2.217 267 L HA -0.083 4.251 4.340 -0.009 0.000 0.211 267 L C 1.878 178.689 176.870 -0.099 0.000 1.107 267 L CA 1.014 55.779 54.840 -0.126 0.000 0.783 267 L CB -0.614 41.383 42.059 -0.103 0.000 0.919 267 L HN 0.304 nan 8.230 nan 0.000 0.442 268 D N 0.222 120.549 120.400 -0.122 0.000 2.378 268 D HA -0.058 4.576 4.640 -0.009 0.000 0.227 268 D C 2.076 178.342 176.300 -0.057 0.000 1.012 268 D CA 0.429 54.381 54.000 -0.079 0.000 0.905 268 D CB 0.047 40.800 40.800 -0.078 0.000 0.895 268 D HN 0.258 nan 8.370 nan 0.000 0.532 269 R N 0.425 120.881 120.500 -0.074 0.000 2.148 269 R HA 0.019 4.354 4.340 -0.009 0.000 0.227 269 R C 0.595 176.890 176.300 -0.009 0.000 1.103 269 R CA 0.481 56.560 56.100 -0.035 0.000 0.983 269 R CB -0.033 30.242 30.300 -0.043 0.000 0.874 269 R HN 0.049 nan 8.270 nan 0.000 0.451 270 N N 0.960 119.651 118.700 -0.016 0.000 3.243 270 N HA 0.002 4.736 4.740 -0.009 0.000 0.310 270 N C 0.050 175.561 175.510 0.001 0.000 1.313 270 N CA 0.456 53.506 53.050 -0.001 0.000 1.204 270 N CB 0.892 39.378 38.487 -0.002 0.000 1.483 270 N HN 0.116 nan 8.380 nan 0.000 0.553 271 L N -0.778 120.447 121.223 0.004 0.000 3.048 271 L HA 0.273 4.608 4.340 -0.009 0.000 0.278 271 L C 1.765 178.633 176.870 -0.003 0.000 1.057 271 L CA 0.501 55.344 54.840 0.005 0.000 1.073 271 L CB -0.130 41.937 42.059 0.012 0.000 1.802 271 L HN 0.155 nan 8.230 nan 0.000 0.562 272 A N -0.661 122.162 122.820 0.005 0.000 1.984 272 A HA 0.038 4.352 4.320 -0.009 0.000 0.214 272 A C 1.741 179.306 177.584 -0.032 0.000 1.173 272 A CA 0.859 52.894 52.037 -0.004 0.000 0.673 272 A CB -0.158 18.870 19.000 0.046 0.000 0.830 272 A HN 0.416 nan 8.150 nan 0.000 0.453 273 E N 0.355 120.552 120.200 -0.006 0.000 2.481 273 E HA -0.040 4.304 4.350 -0.009 0.000 0.195 273 E C 0.785 177.382 176.600 -0.005 0.000 1.047 273 E CA 0.030 56.428 56.400 -0.003 0.000 0.867 273 E CB -0.091 29.628 29.700 0.032 0.000 0.858 273 E HN 0.405 nan 8.360 nan 0.000 0.513 274 N N 1.068 119.764 118.700 -0.006 0.000 2.453 274 N HA -0.046 4.688 4.740 -0.009 0.000 0.183 274 N C 1.615 177.131 175.510 0.010 0.000 1.041 274 N CA 0.535 53.598 53.050 0.021 0.000 0.900 274 N CB 0.029 38.527 38.487 0.019 0.000 0.961 274 N HN 0.266 nan 8.380 nan 0.000 0.443 275 I N 0.350 120.870 120.570 -0.083 0.000 2.264 275 I HA -0.241 3.924 4.170 -0.009 0.000 0.248 275 I C 1.364 177.440 176.117 -0.067 0.000 1.111 275 I CA 1.228 62.441 61.300 -0.145 0.000 1.382 275 I CB -0.195 37.554 38.000 -0.420 0.000 1.060 275 I HN 0.125 nan 8.210 nan 0.000 0.418 276 S N -0.552 115.110 115.700 -0.063 0.000 2.574 276 S HA 0.194 4.659 4.470 -0.009 0.000 0.242 276 S C 1.442 176.178 174.600 0.227 0.000 0.982 276 S CA -0.584 57.662 58.200 0.077 0.000 0.977 276 S CB 0.310 63.536 63.200 0.044 0.000 0.814 276 S HN 0.196 nan 8.310 nan 0.000 0.464 277 R N 1.515 122.151 120.500 0.227 0.000 2.062 277 R HA 0.237 4.571 4.340 -0.009 0.000 0.231 277 R C 0.537 177.098 176.300 0.436 0.000 1.136 277 R CA 1.428 57.709 56.100 0.302 0.000 0.948 277 R CB -0.381 30.054 30.300 0.226 0.000 0.845 277 R HN 0.416 nan 8.270 nan 0.000 0.430 278 V N 0.014 120.134 119.914 0.343 0.000 2.971 278 V HA 0.404 4.519 4.120 -0.009 0.000 0.309 278 V C -1.596 174.477 176.094 -0.035 0.000 1.130 278 V CA -1.393 61.041 62.300 0.223 0.000 0.964 278 V CB 1.804 33.678 31.823 0.084 0.000 1.029 278 V HN 0.181 nan 8.190 nan 0.000 0.427 279 L N 5.860 126.836 121.223 -0.411 0.000 2.331 279 L HA 0.511 4.845 4.340 -0.009 0.000 0.278 279 L C -0.901 175.807 176.870 -0.270 0.000 1.106 279 L CA 0.351 54.735 54.840 -0.760 0.000 0.824 279 L CB 0.651 42.154 42.059 -0.926 0.000 1.142 279 L HN 0.693 nan 8.230 nan 0.000 0.443 280 Y N 6.583 126.806 120.300 -0.128 0.000 2.544 280 Y HA 0.209 4.753 4.550 -0.009 0.000 0.330 280 Y C -1.396 174.502 175.900 -0.004 0.000 1.136 280 Y CA -1.220 56.875 58.100 -0.008 0.000 1.417 280 Y CB 0.428 38.912 38.460 0.040 0.000 1.229 280 Y HN 0.565 nan 8.280 nan 0.000 0.532 281 P HA 0.011 nan 4.420 nan 0.000 0.249 281 P C -0.923 176.503 177.300 0.209 0.000 1.593 281 P CA 0.146 63.347 63.100 0.168 0.000 0.896 281 P CB 0.075 31.958 31.700 0.304 0.000 1.581 282 N N 1.373 120.209 118.700 0.228 0.000 2.426 282 N HA 0.162 4.896 4.740 -0.009 0.000 0.275 282 N C -0.694 174.970 175.510 0.257 0.000 1.019 282 N CA 0.041 53.246 53.050 0.260 0.000 0.941 282 N CB 1.178 39.861 38.487 0.326 0.000 1.123 282 N HN 0.065 nan 8.380 nan 0.000 0.486 283 D N 1.286 121.866 120.400 0.300 0.000 2.349 283 D HA 0.220 4.854 4.640 -0.009 0.000 0.232 283 D C -0.200 176.395 176.300 0.492 0.000 1.071 283 D CA -0.264 53.949 54.000 0.355 0.000 0.832 283 D CB 0.231 41.255 40.800 0.374 0.000 1.086 283 D HN 0.292 nan 8.370 nan 0.000 0.504 284 N N 2.846 121.756 118.700 0.349 0.000 2.740 284 N HA -0.253 4.482 4.740 -0.009 0.000 0.248 284 N C -1.324 174.408 175.510 0.370 0.000 1.062 284 N CA 0.709 53.931 53.050 0.286 0.000 0.704 284 N CB -1.040 37.544 38.487 0.162 0.000 0.968 284 N HN 0.400 nan 8.380 nan 0.000 0.547 285 F N 0.430 120.488 119.950 0.180 0.000 2.588 285 F HA 0.445 4.967 4.527 -0.009 0.000 0.314 285 F C -1.130 174.754 175.800 0.140 0.000 1.134 285 F CA -1.140 56.938 58.000 0.130 0.000 0.961 285 F CB 0.984 40.024 39.000 0.067 0.000 1.239 285 F HN -0.020 nan 8.300 nan 0.000 0.448 286 F N 6.201 125.672 119.950 -0.799 0.000 2.404 286 F HA 0.420 4.942 4.527 -0.009 0.000 0.358 286 F C -0.389 174.998 175.800 -0.687 0.000 1.120 286 F CA -0.174 57.456 58.000 -0.617 0.000 1.144 286 F CB 0.595 39.265 39.000 -0.551 0.000 1.133 286 F HN 0.587 nan 8.300 nan 0.000 0.495 287 E N 4.438 124.129 120.200 -0.849 0.000 2.129 287 E HA 0.313 4.657 4.350 -0.009 0.000 0.268 287 E C -0.022 175.914 176.600 -1.108 0.000 0.900 287 E CA -0.767 55.221 56.400 -0.686 0.000 0.755 287 E CB 1.352 30.984 29.700 -0.114 0.000 1.117 287 E HN 0.912 nan 8.360 nan 0.000 0.410 288 G N 5.402 113.474 108.800 -1.214 0.000 3.401 288 G HA2 0.032 3.987 3.960 -0.009 0.000 0.251 288 G HA3 0.032 3.987 3.960 -0.009 0.000 0.251 288 G C -0.047 174.788 174.900 -0.108 0.000 0.960 288 G CA -0.252 44.290 45.100 -0.931 0.000 1.900 288 G HN 0.224 nan 8.290 nan 0.000 0.645 289 K N 0.362 120.757 120.400 -0.009 0.000 2.118 289 K HA 0.189 4.504 4.320 -0.009 0.000 0.267 289 K C 0.958 177.701 176.600 0.238 0.000 0.991 289 K CA -0.642 55.725 56.287 0.133 0.000 0.916 289 K CB 2.134 34.709 32.500 0.125 0.000 1.041 289 K HN 0.373 nan 8.250 nan 0.000 0.455 290 E N 1.452 121.758 120.200 0.177 0.000 2.085 290 E HA -0.205 4.139 4.350 -0.009 0.000 0.194 290 E C 1.550 178.180 176.600 0.049 0.000 0.994 290 E CA 0.989 57.444 56.400 0.090 0.000 0.801 290 E CB 0.155 29.910 29.700 0.092 0.000 0.743 290 E HN 0.390 nan 8.360 nan 0.000 0.453 291 L N 1.380 122.674 121.223 0.118 0.000 2.127 291 L HA -0.179 4.155 4.340 -0.009 0.000 0.211 291 L C 2.345 179.313 176.870 0.163 0.000 1.089 291 L CA 1.590 56.517 54.840 0.145 0.000 0.757 291 L CB -0.429 41.783 42.059 0.256 0.000 0.899 291 L HN 0.011 nan 8.230 nan 0.000 0.434 292 R N -0.540 120.009 120.500 0.080 0.000 2.073 292 R HA -0.083 4.252 4.340 -0.009 0.000 0.229 292 R C 2.205 178.553 176.300 0.081 0.000 1.120 292 R CA 1.568 57.658 56.100 -0.017 0.000 0.967 292 R CB -1.010 29.101 30.300 -0.314 0.000 0.862 292 R HN 0.437 nan 8.270 nan 0.000 0.436 293 L N 1.567 122.740 121.223 -0.084 0.000 2.083 293 L HA -0.115 4.219 4.340 -0.009 0.000 0.209 293 L C 1.946 178.762 176.870 -0.089 0.000 1.083 293 L CA 1.842 56.432 54.840 -0.417 0.000 0.752 293 L CB -0.301 41.185 42.059 -0.955 0.000 0.899 293 L HN 0.027 nan 8.230 nan 0.000 0.433 294 K N -0.992 119.404 120.400 -0.007 0.000 2.057 294 K HA -0.181 4.133 4.320 -0.009 0.000 0.207 294 K C 2.076 178.841 176.600 0.275 0.000 1.049 294 K CA 1.748 58.104 56.287 0.115 0.000 0.931 294 K CB -0.164 32.237 32.500 -0.165 0.000 0.714 294 K HN 0.517 nan 8.250 nan 0.000 0.440 295 Q N 0.641 120.569 119.800 0.214 0.000 2.084 295 Q HA -0.175 4.159 4.340 -0.009 0.000 0.202 295 Q C 1.941 178.141 176.000 0.333 0.000 0.978 295 Q CA 1.357 57.339 55.803 0.298 0.000 0.844 295 Q CB -0.020 28.917 28.738 0.331 0.000 0.898 295 Q HN 0.373 nan 8.270 nan 0.000 0.426 296 E N -0.119 120.234 120.200 0.254 0.000 2.077 296 E HA -0.215 4.129 4.350 -0.009 0.000 0.193 296 E C 1.715 178.434 176.600 0.197 0.000 0.989 296 E CA 1.067 57.600 56.400 0.223 0.000 0.800 296 E CB -0.113 29.696 29.700 0.183 0.000 0.746 296 E HN 0.325 nan 8.360 nan 0.000 0.452 297 Y N 0.241 120.596 120.300 0.091 0.000 2.263 297 Y HA -0.176 4.368 4.550 -0.009 0.000 0.292 297 Y C 1.926 177.864 175.900 0.062 0.000 1.130 297 Y CA 0.863 58.970 58.100 0.011 0.000 1.179 297 Y CB -0.350 38.083 38.460 -0.045 0.000 0.998 297 Y HN 0.004 nan 8.280 nan 0.000 0.532 298 F N -0.227 119.705 119.950 -0.029 0.000 2.065 298 F HA -0.263 4.258 4.527 -0.009 0.000 0.298 298 F C 2.504 178.151 175.800 -0.256 0.000 1.112 298 F CA 2.105 60.046 58.000 -0.098 0.000 1.212 298 F CB -1.093 37.999 39.000 0.153 0.000 0.975 298 F HN -0.063 nan 8.300 nan 0.000 0.476 299 V N -0.506 119.382 119.914 -0.043 0.000 2.427 299 V HA -0.200 3.914 4.120 -0.009 0.000 0.248 299 V C 2.163 178.117 176.094 -0.234 0.000 1.051 299 V CA 1.901 64.140 62.300 -0.102 0.000 1.048 299 V CB -0.362 31.596 31.823 0.224 0.000 0.666 299 V HN 0.270 nan 8.190 nan 0.000 0.456 300 V N 0.338 120.113 119.914 -0.232 0.000 2.283 300 V HA -0.144 3.970 4.120 -0.009 0.000 0.243 300 V C 2.808 178.644 176.094 -0.430 0.000 1.039 300 V CA 2.037 64.184 62.300 -0.254 0.000 1.016 300 V CB -1.057 30.676 31.823 -0.150 0.000 0.650 300 V HN 0.634 nan 8.190 nan 0.000 0.449 301 A N -0.016 122.378 122.820 -0.709 0.000 1.883 301 A HA -0.164 4.151 4.320 -0.009 0.000 0.217 301 A C 2.405 179.624 177.584 -0.608 0.000 1.186 301 A CA 2.324 53.946 52.037 -0.693 0.000 0.624 301 A CB -0.883 17.496 19.000 -1.035 0.000 0.822 301 A HN 0.577 nan 8.150 nan 0.000 0.444 302 A N -1.185 121.118 122.820 -0.863 0.000 1.898 302 A HA -0.064 4.251 4.320 -0.009 0.000 0.216 302 A C 2.318 179.449 177.584 -0.755 0.000 1.181 302 A CA 2.287 53.656 52.037 -1.114 0.000 0.620 302 A CB -1.298 16.390 19.000 -2.187 0.000 0.819 302 A HN 0.437 nan 8.150 nan 0.000 0.442 303 T N 0.557 114.783 114.554 -0.547 0.000 2.684 303 T HA -0.116 4.229 4.350 -0.009 0.000 0.267 303 T C 1.825 176.262 174.700 -0.437 0.000 1.036 303 T CA 1.521 63.396 62.100 -0.376 0.000 1.148 303 T CB -0.417 68.221 68.868 -0.383 0.000 0.863 303 T HN 0.348 nan 8.240 nan 0.000 0.436 304 L N 0.693 121.704 121.223 -0.355 0.000 2.083 304 L HA -0.172 4.162 4.340 -0.009 0.000 0.209 304 L C 2.916 179.666 176.870 -0.199 0.000 1.083 304 L CA 1.399 56.078 54.840 -0.268 0.000 0.752 304 L CB -0.543 41.396 42.059 -0.201 0.000 0.899 304 L HN 0.367 nan 8.230 nan 0.000 0.433 305 Q N -0.566 119.114 119.800 -0.199 0.000 2.084 305 Q HA -0.248 4.086 4.340 -0.009 0.000 0.202 305 Q C 1.820 177.776 176.000 -0.073 0.000 0.978 305 Q CA 1.719 57.451 55.803 -0.119 0.000 0.844 305 Q CB -0.127 28.527 28.738 -0.139 0.000 0.898 305 Q HN 0.381 nan 8.270 nan 0.000 0.426 306 D N 0.521 120.871 120.400 -0.082 0.000 2.117 306 D HA -0.104 4.530 4.640 -0.009 0.000 0.197 306 D C 1.670 177.907 176.300 -0.104 0.000 0.987 306 D CA 0.867 54.860 54.000 -0.011 0.000 0.829 306 D CB -0.016 40.880 40.800 0.162 0.000 0.961 306 D HN 0.175 nan 8.370 nan 0.000 0.460 307 I N 0.120 120.530 120.570 -0.267 0.000 2.202 307 I HA -0.230 3.935 4.170 -0.009 0.000 0.242 307 I C 2.335 178.452 176.117 -0.000 0.000 1.091 307 I CA 0.737 61.828 61.300 -0.349 0.000 1.368 307 I CB -0.138 37.501 38.000 -0.602 0.000 1.058 307 I HN 0.027 nan 8.210 nan 0.000 0.410 308 I N 0.322 120.948 120.570 0.094 0.000 2.315 308 I HA -0.284 3.881 4.170 -0.009 0.000 0.248 308 I C 2.767 179.051 176.117 0.277 0.000 1.117 308 I CA 1.127 62.609 61.300 0.304 0.000 1.404 308 I CB -0.413 37.718 38.000 0.218 0.000 1.071 308 I HN 0.207 nan 8.210 nan 0.000 0.419 309 R N 1.342 121.920 120.500 0.129 0.000 2.073 309 R HA -0.210 4.124 4.340 -0.009 0.000 0.234 309 R C 2.502 178.852 176.300 0.083 0.000 1.134 309 R CA 1.651 57.803 56.100 0.087 0.000 0.952 309 R CB -0.253 30.063 30.300 0.027 0.000 0.850 309 R HN 0.191 nan 8.270 nan 0.000 0.433 310 R N -0.581 119.966 120.500 0.078 0.000 2.115 310 R HA -0.156 4.179 4.340 -0.009 0.000 0.230 310 R C 2.038 178.423 176.300 0.141 0.000 1.111 310 R CA 1.486 57.637 56.100 0.085 0.000 0.976 310 R CB -0.318 30.022 30.300 0.067 0.000 0.870 310 R HN 0.309 nan 8.270 nan 0.000 0.445 311 F N 1.465 121.442 119.950 0.046 0.000 2.128 311 F HA -0.040 4.481 4.527 -0.009 0.000 0.295 311 F C 1.579 177.391 175.800 0.020 0.000 1.100 311 F CA 1.419 59.443 58.000 0.041 0.000 1.260 311 F CB -0.063 39.012 39.000 0.125 0.000 1.009 311 F HN -0.162 nan 8.300 nan 0.000 0.476 312 K N 0.012 120.374 120.400 -0.063 0.000 2.442 312 K HA -0.109 4.205 4.320 -0.009 0.000 0.199 312 K C 2.070 178.547 176.600 -0.204 0.000 1.044 312 K CA 1.193 57.352 56.287 -0.213 0.000 0.941 312 K CB -0.205 32.295 32.500 0.000 0.000 0.759 312 K HN 0.271 nan 8.250 nan 0.000 0.472 313 S N 0.284 115.911 115.700 -0.122 0.000 2.371 313 S HA -0.003 4.462 4.470 -0.009 0.000 0.219 313 S C 0.704 175.233 174.600 -0.118 0.000 1.040 313 S CA -0.077 58.091 58.200 -0.053 0.000 0.958 313 S CB 0.060 63.304 63.200 0.074 0.000 0.860 313 S HN 0.223 nan 8.310 nan 0.000 0.487 325 N N 1.168 119.821 118.700 -0.078 0.000 2.438 325 N HA 0.296 5.030 4.740 -0.009 0.000 0.267 325 N C 0.448 175.985 175.510 0.045 0.000 1.222 325 N CA -0.246 52.823 53.050 0.031 0.000 0.930 325 N CB 0.033 38.557 38.487 0.062 0.000 1.083 325 N HN 0.290 nan 8.380 nan 0.000 0.476 326 F N 0.649 120.694 119.950 0.160 0.000 2.788 326 F HA -0.011 4.511 4.527 -0.009 0.000 0.300 326 F C 1.284 177.156 175.800 0.121 0.000 1.229 326 F CA 0.185 58.275 58.000 0.150 0.000 1.446 326 F CB -0.065 38.891 39.000 -0.074 0.000 1.118 326 F HN 0.496 nan 8.300 nan 0.000 0.579 327 D N 0.377 120.913 120.400 0.226 0.000 2.219 327 D HA -0.138 4.497 4.640 -0.009 0.000 0.205 327 D C 2.176 178.568 176.300 0.154 0.000 0.970 327 D CA 1.132 55.225 54.000 0.155 0.000 0.851 327 D CB -0.028 40.837 40.800 0.107 0.000 0.943 327 D HN 0.279 nan 8.370 nan 0.000 0.488 328 A N -0.674 122.265 122.820 0.199 0.000 2.238 328 A HA 0.096 4.410 4.320 -0.009 0.000 0.210 328 A C 1.578 179.286 177.584 0.206 0.000 1.179 328 A CA -0.273 51.878 52.037 0.190 0.000 0.827 328 A CB -0.689 18.429 19.000 0.196 0.000 0.856 328 A HN 0.218 nan 8.150 nan 0.000 0.488 329 F N 1.909 121.853 119.950 -0.009 0.000 2.063 329 F HA -0.151 4.371 4.527 -0.009 0.000 0.298 329 F C -0.808 174.904 175.800 -0.147 0.000 1.109 329 F CA 2.562 60.365 58.000 -0.328 0.000 1.212 329 F CB -0.700 38.097 39.000 -0.338 0.000 0.973 329 F HN 0.191 nan 8.300 nan 0.000 0.480 330 P HA -0.112 nan 4.420 nan 0.000 0.222 330 P C 0.724 177.993 177.300 -0.052 0.000 1.147 330 P CA 1.604 64.699 63.100 -0.009 0.000 0.790 330 P CB -0.055 31.655 31.700 0.018 0.000 0.780 331 D N -1.174 119.212 120.400 -0.023 0.000 2.348 331 D HA -0.006 4.629 4.640 -0.009 0.000 0.211 331 D C 1.452 177.739 176.300 -0.021 0.000 0.998 331 D CA 0.797 54.792 54.000 -0.007 0.000 0.873 331 D CB 0.180 40.995 40.800 0.024 0.000 0.925 331 D HN 0.146 nan 8.370 nan 0.000 0.524 332 K N 0.116 120.479 120.400 -0.061 0.000 2.380 332 K HA 0.213 4.528 4.320 -0.009 0.000 0.198 332 K C 0.025 176.535 176.600 -0.151 0.000 1.070 332 K CA 0.076 56.334 56.287 -0.048 0.000 1.040 332 K CB 2.312 34.882 32.500 0.118 0.000 0.903 332 K HN -0.063 nan 8.250 nan 0.000 0.549 333 V N 0.784 120.525 119.914 -0.289 0.000 2.760 333 V HA 0.664 4.778 4.120 -0.009 0.000 0.309 333 V C -1.193 174.822 176.094 -0.132 0.000 1.077 333 V CA -1.303 60.831 62.300 -0.276 0.000 0.910 333 V CB 1.932 33.316 31.823 -0.731 0.000 1.008 333 V HN 0.102 nan 8.190 nan 0.000 0.424 334 A N 5.313 128.105 122.820 -0.045 0.000 2.374 334 A HA 0.931 5.245 4.320 -0.009 0.000 0.305 334 A C -1.100 176.512 177.584 0.045 0.000 1.053 334 A CA -0.435 51.600 52.037 -0.004 0.000 0.726 334 A CB 1.120 20.043 19.000 -0.128 0.000 1.229 334 A HN 0.763 nan 8.150 nan 0.000 0.431 335 I N 1.927 122.573 120.570 0.127 0.000 2.411 335 I HA 0.296 4.461 4.170 -0.009 0.000 0.284 335 I C -0.388 175.828 176.117 0.166 0.000 1.012 335 I CA -0.534 60.854 61.300 0.146 0.000 1.119 335 I CB 1.978 40.048 38.000 0.116 0.000 1.261 335 I HN 0.710 nan 8.210 nan 0.000 0.448 336 Q N 6.002 125.897 119.800 0.158 0.000 2.314 336 Q HA 0.456 4.791 4.340 -0.009 0.000 0.259 336 Q C -1.415 174.592 176.000 0.012 0.000 0.951 336 Q CA -0.471 55.453 55.803 0.200 0.000 0.909 336 Q CB 1.250 30.213 28.738 0.375 0.000 1.236 336 Q HN 0.434 nan 8.270 nan 0.000 0.444 337 L N 4.305 125.574 121.223 0.077 0.000 2.268 337 L HA 0.315 4.649 4.340 -0.009 0.000 0.289 337 L C -0.222 176.675 176.870 0.045 0.000 1.064 337 L CA -0.197 54.680 54.840 0.063 0.000 0.824 337 L CB 0.485 42.639 42.059 0.158 0.000 1.202 337 L HN 0.598 nan 8.230 nan 0.000 0.433 338 N N 3.996 122.639 118.700 -0.095 0.000 2.605 338 N HA 0.137 4.871 4.740 -0.009 0.000 0.258 338 N C -0.127 175.402 175.510 0.033 0.000 1.156 338 N CA 0.544 53.583 53.050 -0.018 0.000 1.008 338 N CB -0.194 38.210 38.487 -0.138 0.000 1.354 338 N HN 0.570 nan 8.380 nan 0.000 0.509 339 D N -0.381 120.121 120.400 0.169 0.000 4.259 339 D HA -0.217 4.418 4.640 -0.009 0.000 0.290 339 D C 0.418 176.841 176.300 0.205 0.000 2.199 339 D CA 1.497 55.601 54.000 0.173 0.000 1.194 339 D CB -0.705 39.958 40.800 -0.229 0.000 1.003 339 D HN 0.455 nan 8.370 nan 0.000 1.204 340 T N -2.454 112.169 114.554 0.115 0.000 3.129 340 T HA 0.102 4.447 4.350 -0.009 0.000 0.251 340 T C 1.679 176.484 174.700 0.175 0.000 1.117 340 T CA 1.569 63.711 62.100 0.071 0.000 1.034 340 T CB -0.534 68.334 68.868 -0.000 0.000 0.968 340 T HN 0.518 nan 8.240 nan 0.000 0.526 341 H N 2.613 121.775 119.070 0.153 0.000 2.353 341 H HA -0.013 4.537 4.556 -0.009 0.000 0.298 341 H C -0.812 174.610 175.328 0.158 0.000 1.103 341 H CA 1.042 57.196 56.048 0.177 0.000 1.293 341 H CB -0.739 29.131 29.762 0.180 0.000 1.372 341 H HN 0.448 nan 8.280 nan 0.000 0.501 342 P HA 0.095 nan 4.420 nan 0.000 0.262 342 P C 0.603 177.956 177.300 0.088 0.000 1.651 342 P CA 0.323 63.512 63.100 0.150 0.000 1.119 342 P CB 0.480 32.259 31.700 0.132 0.000 1.552 343 S N -0.299 115.447 115.700 0.077 0.000 2.442 343 S HA -0.087 4.378 4.470 -0.009 0.000 0.236 343 S C 1.781 176.389 174.600 0.014 0.000 1.007 343 S CA 0.602 58.806 58.200 0.008 0.000 0.965 343 S CB -1.331 61.846 63.200 -0.039 0.000 0.773 343 S HN 0.146 nan 8.310 nan 0.000 0.504 344 L N 0.951 122.199 121.223 0.041 0.000 2.549 344 L HA 0.042 4.376 4.340 -0.009 0.000 0.229 344 L C 2.876 179.789 176.870 0.072 0.000 1.158 344 L CA 0.610 55.480 54.840 0.049 0.000 0.842 344 L CB -0.723 41.370 42.059 0.057 0.000 0.952 344 L HN 0.473 nan 8.230 nan 0.000 0.452 345 A N 0.512 123.352 122.820 0.033 0.000 1.972 345 A HA -0.170 4.144 4.320 -0.009 0.000 0.219 345 A C 2.180 179.758 177.584 -0.010 0.000 1.169 345 A CA 1.323 53.361 52.037 0.001 0.000 0.635 345 A CB -0.407 18.586 19.000 -0.012 0.000 0.810 345 A HN 0.373 nan 8.150 nan 0.000 0.446 346 I N 0.286 120.851 120.570 -0.008 0.000 2.163 346 I HA -0.140 4.024 4.170 -0.009 0.000 0.240 346 I C -0.360 175.763 176.117 0.009 0.000 1.081 346 I CA 1.479 62.765 61.300 -0.023 0.000 1.353 346 I CB -1.031 36.959 38.000 -0.017 0.000 1.054 346 I HN 0.255 nan 8.210 nan 0.000 0.407 347 P HA -0.141 nan 4.420 nan 0.000 0.225 347 P C 1.234 178.534 177.300 -0.000 0.000 1.156 347 P CA 1.369 64.495 63.100 0.044 0.000 0.787 347 P CB 0.080 31.830 31.700 0.083 0.000 0.802 348 E N 0.437 120.703 120.200 0.111 0.000 2.072 348 E HA -0.139 4.206 4.350 -0.009 0.000 0.190 348 E C 1.928 178.496 176.600 -0.052 0.000 0.982 348 E CA 0.624 57.102 56.400 0.130 0.000 0.803 348 E CB -1.170 28.675 29.700 0.242 0.000 0.755 348 E HN -0.011 nan 8.360 nan 0.000 0.453 349 L N -0.007 121.155 121.223 -0.102 0.000 2.046 349 L HA -0.081 4.254 4.340 -0.009 0.000 0.208 349 L C 2.072 178.777 176.870 -0.276 0.000 1.077 349 L CA 1.727 56.441 54.840 -0.210 0.000 0.747 349 L CB -0.539 41.390 42.059 -0.217 0.000 0.896 349 L HN 0.234 nan 8.230 nan 0.000 0.432 350 M N -0.761 118.695 119.600 -0.241 0.000 2.117 350 M HA -0.210 4.265 4.480 -0.009 0.000 0.262 350 M C 2.439 178.560 176.300 -0.299 0.000 1.065 350 M CA 1.556 56.665 55.300 -0.319 0.000 1.114 350 M CB -1.183 31.220 32.600 -0.328 0.000 1.361 350 M HN 0.334 nan 8.290 nan 0.000 0.408 351 R N -0.015 120.336 120.500 -0.247 0.000 2.083 351 R HA -0.144 4.191 4.340 -0.009 0.000 0.237 351 R C 2.088 178.279 176.300 -0.182 0.000 1.137 351 R CA 1.761 57.723 56.100 -0.229 0.000 0.951 351 R CB -0.234 29.881 30.300 -0.308 0.000 0.851 351 R HN 0.199 nan 8.270 nan 0.000 0.434 352 V N 1.406 121.209 119.914 -0.185 0.000 2.295 352 V HA -0.255 3.860 4.120 -0.009 0.000 0.246 352 V C 2.415 178.349 176.094 -0.268 0.000 1.049 352 V CA 1.769 63.957 62.300 -0.186 0.000 1.024 352 V CB -0.393 31.313 31.823 -0.195 0.000 0.648 352 V HN 0.359 nan 8.190 nan 0.000 0.447 353 L N -0.677 120.318 121.223 -0.381 0.000 2.083 353 L HA -0.145 4.190 4.340 -0.009 0.000 0.209 353 L C 2.336 179.027 176.870 -0.298 0.000 1.083 353 L CA 1.166 55.721 54.840 -0.474 0.000 0.752 353 L CB -0.553 41.173 42.059 -0.555 0.000 0.899 353 L HN 0.226 nan 8.230 nan 0.000 0.433 354 V N -0.840 118.936 119.914 -0.232 0.000 2.374 354 V HA -0.145 3.970 4.120 -0.009 0.000 0.241 354 V C 1.943 177.996 176.094 -0.068 0.000 1.034 354 V CA 1.473 63.697 62.300 -0.127 0.000 1.037 354 V CB -0.280 31.485 31.823 -0.097 0.000 0.682 354 V HN 0.309 nan 8.190 nan 0.000 0.463 355 D N 0.170 120.526 120.400 -0.074 0.000 2.123 355 D HA -0.038 4.597 4.640 -0.009 0.000 0.200 355 D C 2.055 178.334 176.300 -0.034 0.000 0.976 355 D CA 1.265 55.242 54.000 -0.039 0.000 0.831 355 D CB 0.015 40.790 40.800 -0.041 0.000 0.974 355 D HN 0.316 nan 8.370 nan 0.000 0.469 356 L N 0.251 121.440 121.223 -0.057 0.000 2.262 356 L HA 0.082 4.416 4.340 -0.009 0.000 0.197 356 L C 1.954 178.806 176.870 -0.030 0.000 1.073 356 L CA 0.532 55.350 54.840 -0.037 0.000 0.800 356 L CB -0.144 41.892 42.059 -0.039 0.000 0.987 356 L HN -0.185 nan 8.230 nan 0.000 0.470 357 E N 0.710 120.865 120.200 -0.074 0.000 2.427 357 E HA -0.019 4.326 4.350 -0.009 0.000 0.196 357 E C 0.217 176.809 176.600 -0.013 0.000 1.028 357 E CA 0.031 56.409 56.400 -0.036 0.000 0.864 357 E CB 0.129 29.728 29.700 -0.169 0.000 0.813 357 E HN 0.243 nan 8.360 nan 0.000 0.514 358 R N -0.137 120.341 120.500 -0.037 0.000 3.651 358 R HA -0.199 4.136 4.340 -0.009 0.000 0.292 358 R C -0.421 175.878 176.300 -0.002 0.000 1.161 358 R CA 0.280 56.375 56.100 -0.008 0.000 0.787 358 R CB -2.453 27.859 30.300 0.019 0.000 1.249 358 R HN 0.056 nan 8.270 nan 0.000 0.476 359 L N 1.819 123.015 121.223 -0.044 0.000 2.439 359 L HA 0.149 4.483 4.340 -0.009 0.000 0.261 359 L C 1.334 178.201 176.870 -0.004 0.000 1.153 359 L CA 0.155 54.979 54.840 -0.026 0.000 0.808 359 L CB 0.396 42.401 42.059 -0.090 0.000 1.126 359 L HN 0.114 nan 8.230 nan 0.000 0.460 360 D N 0.461 120.882 120.400 0.035 0.000 2.362 360 D HA -0.122 4.512 4.640 -0.009 0.000 0.242 360 D C 0.976 177.339 176.300 0.105 0.000 1.132 360 D CA -0.531 53.521 54.000 0.087 0.000 0.907 360 D CB 0.733 41.591 40.800 0.097 0.000 1.195 360 D HN 0.595 nan 8.370 nan 0.000 0.429 361 W N 2.404 123.707 121.300 0.006 0.000 2.289 361 W HA -0.270 4.384 4.660 -0.009 0.000 0.331 361 W C 1.214 177.776 176.519 0.071 0.000 1.283 361 W CA 2.153 59.508 57.345 0.017 0.000 1.252 361 W CB -0.446 29.005 29.460 -0.016 0.000 1.153 361 W HN 0.506 nan 8.180 nan 0.000 0.467 362 D N 0.160 120.780 120.400 0.366 0.000 2.158 362 D HA -0.219 4.415 4.640 -0.009 0.000 0.197 362 D C 2.020 178.422 176.300 0.169 0.000 0.995 362 D CA 1.546 55.725 54.000 0.299 0.000 0.846 362 D CB -0.435 40.509 40.800 0.240 0.000 0.941 362 D HN 0.094 nan 8.370 nan 0.000 0.456 363 K N 1.071 121.528 120.400 0.094 0.000 2.025 363 K HA -0.006 4.308 4.320 -0.009 0.000 0.207 363 K C 2.024 178.609 176.600 -0.024 0.000 1.049 363 K CA 1.032 57.347 56.287 0.045 0.000 0.933 363 K CB -0.461 32.062 32.500 0.039 0.000 0.714 363 K HN 0.037 nan 8.250 nan 0.000 0.438 364 A N 0.824 123.583 122.820 -0.102 0.000 1.902 364 A HA -0.195 4.119 4.320 -0.009 0.000 0.217 364 A C 2.178 179.645 177.584 -0.194 0.000 1.181 364 A CA 1.414 53.315 52.037 -0.227 0.000 0.623 364 A CB -1.058 17.737 19.000 -0.342 0.000 0.818 364 A HN 0.656 nan 8.150 nan 0.000 0.443 365 W N 0.646 121.725 121.300 -0.369 0.000 2.381 365 W HA -0.146 4.508 4.660 -0.009 0.000 0.301 365 W C 1.967 178.422 176.519 -0.108 0.000 1.205 365 W CA 1.783 58.967 57.345 -0.269 0.000 1.285 365 W CB -0.111 29.239 29.460 -0.183 0.000 1.133 365 W HN 0.600 nan 8.180 nan 0.000 0.521 366 E N 0.153 120.348 120.200 -0.008 0.000 2.058 366 E HA -0.223 4.121 4.350 -0.009 0.000 0.194 366 E C 2.059 178.575 176.600 -0.140 0.000 0.997 366 E CA 1.974 58.337 56.400 -0.062 0.000 0.801 366 E CB -0.308 29.410 29.700 0.031 0.000 0.746 366 E HN 0.057 nan 8.360 nan 0.000 0.450 367 V N 0.803 120.645 119.914 -0.121 0.000 2.287 367 V HA -0.287 3.827 4.120 -0.009 0.000 0.248 367 V C 2.452 178.447 176.094 -0.164 0.000 1.053 367 V CA 2.263 64.497 62.300 -0.111 0.000 1.027 367 V CB -0.917 30.818 31.823 -0.147 0.000 0.646 367 V HN 0.370 nan 8.190 nan 0.000 0.447 368 T N 0.121 114.503 114.554 -0.287 0.000 2.652 368 T HA -0.194 4.150 4.350 -0.009 0.000 0.267 368 T C 1.947 176.445 174.700 -0.336 0.000 1.039 368 T CA 1.858 63.761 62.100 -0.327 0.000 1.153 368 T CB -0.344 68.262 68.868 -0.437 0.000 0.863 368 T HN 0.277 nan 8.240 nan 0.000 0.428 369 V N 1.452 121.051 119.914 -0.524 0.000 2.392 369 V HA -0.189 3.925 4.120 -0.009 0.000 0.249 369 V C 2.354 178.386 176.094 -0.104 0.000 1.059 369 V CA 1.642 63.705 62.300 -0.394 0.000 1.051 369 V CB -0.514 31.023 31.823 -0.476 0.000 0.658 369 V HN 0.489 nan 8.190 nan 0.000 0.455 370 K N -0.117 120.206 120.400 -0.128 0.000 2.288 370 K HA -0.101 4.213 4.320 -0.009 0.000 0.201 370 K C 2.163 178.701 176.600 -0.103 0.000 1.048 370 K CA 1.585 57.780 56.287 -0.154 0.000 0.956 370 K CB -0.199 32.225 32.500 -0.127 0.000 0.746 370 K HN 0.658 nan 8.250 nan 0.000 0.461 371 T N -1.799 112.772 114.554 0.028 0.000 3.037 371 T HA 0.072 4.417 4.350 -0.009 0.000 0.252 371 T C 0.739 175.552 174.700 0.187 0.000 1.073 371 T CA -0.270 61.896 62.100 0.109 0.000 1.091 371 T CB -0.045 68.932 68.868 0.181 0.000 0.935 371 T HN 0.020 nan 8.240 nan 0.000 0.488 372 C N 2.633 122.030 119.300 0.161 0.000 2.365 372 C HA 0.915 5.369 4.460 -0.009 0.000 0.351 372 C C 0.584 175.664 174.990 0.150 0.000 1.240 372 C CA -0.904 58.195 59.018 0.136 0.000 2.062 372 C CB 0.148 27.897 27.740 0.016 0.000 2.387 372 C HN 0.738 nan 8.230 nan 0.000 0.537 373 A N 2.403 125.304 122.820 0.135 0.000 2.414 373 A HA 0.747 5.062 4.320 -0.009 0.000 0.306 373 A C -1.473 176.197 177.584 0.143 0.000 1.054 373 A CA -0.408 51.657 52.037 0.047 0.000 0.724 373 A CB 0.968 20.039 19.000 0.119 0.000 1.267 373 A HN 0.934 nan 8.150 nan 0.000 0.418 374 Y N 1.292 121.553 120.300 -0.064 0.000 2.376 374 Y HA 0.633 5.178 4.550 -0.009 0.000 0.340 374 Y C -0.450 175.443 175.900 -0.012 0.000 0.965 374 Y CA -0.299 57.776 58.100 -0.043 0.000 1.078 374 Y CB 2.012 40.407 38.460 -0.109 0.000 1.193 374 Y HN 0.556 nan 8.280 nan 0.000 0.452 375 T N 6.637 120.934 114.554 -0.429 0.000 2.770 375 T HA 0.183 4.527 4.350 -0.009 0.000 0.283 375 T C -0.761 173.466 174.700 -0.788 0.000 0.988 375 T CA -0.793 61.019 62.100 -0.479 0.000 0.957 375 T CB 0.365 69.185 68.868 -0.079 0.000 0.930 375 T HN 0.649 nan 8.240 nan 0.000 0.443 376 N N 1.779 120.047 118.700 -0.720 0.000 2.479 376 N HA 0.132 4.866 4.740 -0.009 0.000 0.285 376 N C 0.155 175.547 175.510 -0.197 0.000 1.075 376 N CA -0.298 52.556 53.050 -0.327 0.000 0.967 376 N CB 0.813 39.295 38.487 -0.007 0.000 1.137 376 N HN 0.646 nan 8.380 nan 0.000 0.472 377 H N 0.896 119.994 119.070 0.046 0.000 2.874 377 H HA 0.156 4.706 4.556 -0.009 0.000 0.264 377 H C -0.084 175.155 175.328 -0.149 0.000 1.007 377 H CA 0.203 56.225 56.048 -0.044 0.000 1.207 377 H CB 1.189 30.932 29.762 -0.032 0.000 1.487 377 H HN 0.541 nan 8.280 nan 0.000 0.505 378 T N -0.029 114.548 114.554 0.039 0.000 2.830 378 T HA 0.254 4.599 4.350 -0.009 0.000 0.322 378 T C 0.304 175.018 174.700 0.024 0.000 1.501 378 T CA -0.310 61.757 62.100 -0.055 0.000 1.036 378 T CB 1.251 70.078 68.868 -0.069 0.000 1.379 378 T HN -0.065 nan 8.240 nan 0.000 0.493 379 V N 1.289 121.181 119.914 -0.037 0.000 3.528 379 V HA 0.550 4.665 4.120 -0.009 0.000 0.294 379 V C 0.643 176.694 176.094 -0.071 0.000 1.404 379 V CA -0.095 62.174 62.300 -0.052 0.000 1.065 379 V CB -0.442 31.350 31.823 -0.051 0.000 0.904 379 V HN 0.677 nan 8.190 nan 0.000 0.435 380 L N 3.288 124.457 121.223 -0.090 0.000 2.477 380 L HA 0.219 4.554 4.340 -0.009 0.000 0.272 380 L C -0.458 176.400 176.870 -0.020 0.000 1.157 380 L CA -1.033 53.773 54.840 -0.056 0.000 0.889 380 L CB 0.845 42.848 42.059 -0.092 0.000 1.158 380 L HN 0.124 nan 8.230 nan 0.000 0.473 381 P HA -0.223 nan 4.420 nan 0.000 0.216 381 P C 0.910 178.202 177.300 -0.014 0.000 1.150 381 P CA 1.319 64.413 63.100 -0.011 0.000 0.837 381 P CB 0.061 31.761 31.700 -0.000 0.000 0.786 382 E N 0.281 120.498 120.200 0.028 0.000 2.472 382 E HA -0.058 4.287 4.350 -0.009 0.000 0.200 382 E C 1.634 178.172 176.600 -0.103 0.000 1.046 382 E CA 1.071 57.471 56.400 -0.000 0.000 0.871 382 E CB -0.713 29.107 29.700 0.199 0.000 0.806 382 E HN 0.238 nan 8.360 nan 0.000 0.533 383 A N 1.065 123.871 122.820 -0.024 0.000 2.115 383 A HA 0.177 4.491 4.320 -0.009 0.000 0.211 383 A C 1.222 178.774 177.584 -0.053 0.000 1.169 383 A CA -0.290 51.748 52.037 0.000 0.000 0.787 383 A CB 0.108 19.139 19.000 0.052 0.000 0.858 383 A HN 0.136 nan 8.150 nan 0.000 0.474 384 L N 2.058 123.217 121.223 -0.107 0.000 2.513 384 L HA 0.068 4.403 4.340 -0.009 0.000 0.272 384 L C 0.018 176.564 176.870 -0.540 0.000 1.187 384 L CA 0.661 55.380 54.840 -0.202 0.000 0.895 384 L CB -0.097 41.874 42.059 -0.146 0.000 1.147 384 L HN 0.434 nan 8.230 nan 0.000 0.483 385 E N 5.152 124.934 120.200 -0.697 0.000 2.180 385 E HA 0.184 4.529 4.350 -0.009 0.000 0.283 385 E C -0.367 175.587 176.600 -1.076 0.000 1.061 385 E CA -0.186 55.338 56.400 -1.460 0.000 0.861 385 E CB 0.663 29.857 29.700 -0.843 0.000 1.056 385 E HN 0.369 nan 8.360 nan 0.000 0.407 386 R N 3.986 123.719 120.500 -1.279 0.000 2.513 386 R HA 0.172 4.507 4.340 -0.009 0.000 0.283 386 R C -1.188 174.957 176.300 -0.258 0.000 1.535 386 R CA -0.575 55.235 56.100 -0.484 0.000 1.315 386 R CB 0.703 30.853 30.300 -0.249 0.000 1.163 386 R HN 0.451 nan 8.270 nan 0.000 0.573 387 W N 4.063 125.314 121.300 -0.081 0.000 2.304 387 W HA 0.217 4.871 4.660 -0.009 0.000 0.313 387 W C -1.891 174.603 176.519 -0.042 0.000 1.323 387 W CA -1.962 55.400 57.345 0.028 0.000 1.223 387 W CB 0.524 29.976 29.460 -0.014 0.000 1.237 387 W HN 0.210 nan 8.180 nan 0.000 0.535 388 P HA -0.105 nan 4.420 nan 0.000 0.264 388 P C 0.835 178.052 177.300 -0.138 0.000 1.193 388 P CA 0.243 63.301 63.100 -0.070 0.000 0.763 388 P CB 0.741 32.244 31.700 -0.329 0.000 0.810 389 V N 3.405 123.287 119.914 -0.053 0.000 2.332 389 V HA -0.292 3.822 4.120 -0.009 0.000 0.248 389 V C 2.097 178.187 176.094 -0.007 0.000 1.055 389 V CA 2.559 64.862 62.300 0.004 0.000 1.038 389 V CB -1.735 30.160 31.823 0.119 0.000 0.651 389 V HN 0.765 nan 8.190 nan 0.000 0.450 390 H N -1.063 118.070 119.070 0.105 0.000 2.489 390 H HA -0.093 4.458 4.556 -0.009 0.000 0.293 390 H C 1.949 177.329 175.328 0.088 0.000 1.066 390 H CA 1.617 57.721 56.048 0.093 0.000 1.305 390 H CB -0.539 29.278 29.762 0.090 0.000 1.386 390 H HN 0.381 nan 8.280 nan 0.000 0.551 391 L N -0.142 120.982 121.223 -0.165 0.000 2.049 391 L HA -0.026 4.309 4.340 -0.009 0.000 0.203 391 L C 2.345 179.185 176.870 -0.049 0.000 1.074 391 L CA 0.761 55.587 54.840 -0.022 0.000 0.749 391 L CB -0.194 41.839 42.059 -0.043 0.000 0.907 391 L HN 0.308 nan 8.230 nan 0.000 0.439 392 L N -0.455 120.707 121.223 -0.103 0.000 2.083 392 L HA -0.253 4.082 4.340 -0.009 0.000 0.209 392 L C 2.461 179.272 176.870 -0.098 0.000 1.083 392 L CA 1.223 55.969 54.840 -0.156 0.000 0.752 392 L CB -0.483 41.473 42.059 -0.172 0.000 0.899 392 L HN 0.354 nan 8.230 nan 0.000 0.433 393 E N -0.261 119.924 120.200 -0.025 0.000 2.070 393 E HA -0.228 4.117 4.350 -0.009 0.000 0.197 393 E C 1.971 178.609 176.600 0.062 0.000 1.004 393 E CA 2.065 58.482 56.400 0.029 0.000 0.805 393 E CB 0.117 29.873 29.700 0.094 0.000 0.744 393 E HN 0.422 nan 8.360 nan 0.000 0.451 394 T N 0.638 115.256 114.554 0.106 0.000 2.851 394 T HA -0.080 4.265 4.350 -0.009 0.000 0.262 394 T C 1.694 176.525 174.700 0.217 0.000 1.043 394 T CA 0.663 62.877 62.100 0.190 0.000 1.140 394 T CB -0.111 68.900 68.868 0.239 0.000 0.872 394 T HN 0.053 nan 8.240 nan 0.000 0.446 395 L N 0.142 121.394 121.223 0.050 0.000 2.095 395 L HA 0.333 4.668 4.340 -0.009 0.000 0.204 395 L C 0.469 177.271 176.870 -0.113 0.000 1.080 395 L CA 1.624 56.373 54.840 -0.150 0.000 0.759 395 L CB -0.036 41.898 42.059 -0.208 0.000 0.914 395 L HN 0.185 nan 8.230 nan 0.000 0.439 396 L N 0.836 121.950 121.223 -0.183 0.000 2.551 396 L HA 0.284 4.618 4.340 -0.009 0.000 0.248 396 L C -1.619 175.071 176.870 -0.301 0.000 1.509 396 L CA -0.938 53.702 54.840 -0.334 0.000 0.842 396 L CB 0.854 42.548 42.059 -0.608 0.000 1.087 396 L HN -0.041 nan 8.230 nan 0.000 0.512 397 P HA -0.239 nan 4.420 nan 0.000 0.216 397 P C 1.458 178.575 177.300 -0.304 0.000 1.150 397 P CA 1.358 64.341 63.100 -0.194 0.000 0.843 397 P CB 0.378 32.031 31.700 -0.080 0.000 0.787 398 R N -0.370 119.774 120.500 -0.595 0.000 2.090 398 R HA -0.132 4.202 4.340 -0.009 0.000 0.228 398 R C 2.356 178.374 176.300 -0.470 0.000 1.110 398 R CA 1.492 57.249 56.100 -0.573 0.000 0.973 398 R CB -1.348 28.427 30.300 -0.875 0.000 0.869 398 R HN 0.218 nan 8.270 nan 0.000 0.440 399 H N -0.236 118.530 119.070 -0.506 0.000 2.423 399 H HA -0.033 4.517 4.556 -0.009 0.000 0.297 399 H C 1.738 176.899 175.328 -0.280 0.000 1.075 399 H CA 1.537 57.373 56.048 -0.353 0.000 1.342 399 H CB -0.035 29.489 29.762 -0.396 0.000 1.395 399 H HN 0.118 nan 8.280 nan 0.000 0.530 400 L N 0.358 121.465 121.223 -0.193 0.000 2.056 400 L HA -0.224 4.111 4.340 -0.009 0.000 0.207 400 L C 1.874 178.565 176.870 -0.298 0.000 1.078 400 L CA 1.496 56.154 54.840 -0.304 0.000 0.749 400 L CB -0.229 41.679 42.059 -0.252 0.000 0.901 400 L HN 0.430 nan 8.230 nan 0.000 0.433 401 Q N -0.306 119.433 119.800 -0.102 0.000 2.124 401 Q HA -0.219 4.115 4.340 -0.009 0.000 0.202 401 Q C 2.156 178.182 176.000 0.043 0.000 0.977 401 Q CA 1.503 57.335 55.803 0.048 0.000 0.850 401 Q CB -0.070 28.696 28.738 0.046 0.000 0.901 401 Q HN 0.554 nan 8.270 nan 0.000 0.429 402 I N 0.431 121.003 120.570 0.003 0.000 2.315 402 I HA -0.259 3.905 4.170 -0.009 0.000 0.248 402 I C 2.161 178.351 176.117 0.122 0.000 1.117 402 I CA 1.011 62.392 61.300 0.134 0.000 1.404 402 I CB -0.161 37.864 38.000 0.040 0.000 1.071 402 I HN 0.198 nan 8.210 nan 0.000 0.419 403 I N -0.353 120.203 120.570 -0.024 0.000 2.226 403 I HA -0.313 3.851 4.170 -0.009 0.000 0.245 403 I C 2.397 178.510 176.117 -0.006 0.000 1.100 403 I CA 1.502 62.770 61.300 -0.054 0.000 1.374 403 I CB -0.353 37.538 38.000 -0.182 0.000 1.057 403 I HN 0.165 nan 8.210 nan 0.000 0.413 404 Y N 0.734 121.037 120.300 0.006 0.000 2.242 404 Y HA -0.240 4.304 4.550 -0.009 0.000 0.291 404 Y C 2.563 178.423 175.900 -0.066 0.000 1.137 404 Y CA 1.351 59.440 58.100 -0.019 0.000 1.181 404 Y CB -0.689 37.754 38.460 -0.028 0.000 0.989 404 Y HN 0.185 nan 8.280 nan 0.000 0.527 405 E N 0.502 120.732 120.200 0.051 0.000 2.072 405 E HA -0.134 4.210 4.350 -0.009 0.000 0.191 405 E C 2.029 178.516 176.600 -0.187 0.000 0.985 405 E CA 1.291 57.572 56.400 -0.198 0.000 0.801 405 E CB -0.528 28.896 29.700 -0.459 0.000 0.750 405 E HN 0.468 nan 8.360 nan 0.000 0.452 406 I N 0.651 121.217 120.570 -0.006 0.000 2.179 406 I HA -0.275 3.889 4.170 -0.009 0.000 0.242 406 I C 2.287 178.390 176.117 -0.023 0.000 1.088 406 I CA 1.435 62.691 61.300 -0.073 0.000 1.357 406 I CB -0.426 37.551 38.000 -0.039 0.000 1.051 406 I HN 0.215 nan 8.210 nan 0.000 0.409 407 N N 0.785 119.525 118.700 0.067 0.000 2.120 407 N HA -0.272 4.462 4.740 -0.009 0.000 0.188 407 N C 1.878 177.472 175.510 0.141 0.000 1.024 407 N CA 1.565 54.711 53.050 0.160 0.000 0.852 407 N CB -0.134 38.466 38.487 0.188 0.000 1.003 407 N HN 0.298 nan 8.380 nan 0.000 0.424 408 Q N 0.000 119.827 119.800 0.045 0.000 2.030 408 Q HA -0.116 4.218 4.340 -0.009 0.000 0.204 408 Q C 1.936 177.913 176.000 -0.038 0.000 0.986 408 Q CA 1.498 57.291 55.803 -0.017 0.000 0.843 408 Q CB 0.001 28.687 28.738 -0.086 0.000 0.904 408 Q HN 0.393 nan 8.270 nan 0.000 0.420 409 R N -0.773 119.676 120.500 -0.085 0.000 2.148 409 R HA -0.100 4.234 4.340 -0.009 0.000 0.223 409 R C 2.104 178.416 176.300 0.020 0.000 1.088 409 R CA 0.994 57.040 56.100 -0.090 0.000 0.985 409 R CB -0.250 29.934 30.300 -0.193 0.000 0.880 409 R HN 0.293 nan 8.270 nan 0.000 0.451 410 F N 1.458 121.371 119.950 -0.061 0.000 2.163 410 F HA -0.024 4.497 4.527 -0.009 0.000 0.297 410 F C 1.826 177.646 175.800 0.034 0.000 1.094 410 F CA 1.126 59.139 58.000 0.022 0.000 1.290 410 F CB -0.133 38.912 39.000 0.075 0.000 1.017 410 F HN -0.149 nan 8.300 nan 0.000 0.483 411 L N 0.057 121.269 121.223 -0.019 0.000 2.275 411 L HA -0.207 4.128 4.340 -0.009 0.000 0.215 411 L C 1.875 178.668 176.870 -0.128 0.000 1.119 411 L CA 1.328 56.100 54.840 -0.113 0.000 0.790 411 L CB -0.860 41.205 42.059 0.009 0.000 0.919 411 L HN 0.264 nan 8.230 nan 0.000 0.443 412 N N -0.201 118.442 118.700 -0.095 0.000 2.270 412 N HA -0.129 4.606 4.740 -0.009 0.000 0.181 412 N C 1.911 177.359 175.510 -0.105 0.000 1.016 412 N CA 0.537 53.537 53.050 -0.084 0.000 0.870 412 N CB 0.093 38.539 38.487 -0.069 0.000 0.979 412 N HN 0.261 nan 8.380 nan 0.000 0.431 413 R N 0.395 120.807 120.500 -0.147 0.000 2.090 413 R HA -0.006 4.328 4.340 -0.009 0.000 0.228 413 R C 2.121 178.309 176.300 -0.186 0.000 1.110 413 R CA 0.680 56.691 56.100 -0.149 0.000 0.973 413 R CB -0.094 30.123 30.300 -0.138 0.000 0.869 413 R HN 0.046 nan 8.270 nan 0.000 0.440 414 V N 0.720 120.473 119.914 -0.267 0.000 2.307 414 V HA -0.220 3.895 4.120 -0.009 0.000 0.245 414 V C 2.362 178.455 176.094 -0.002 0.000 1.045 414 V CA 1.987 64.208 62.300 -0.132 0.000 1.024 414 V CB -0.723 30.961 31.823 -0.231 0.000 0.651 414 V HN 0.403 nan 8.190 nan 0.000 0.449 415 A N 0.064 122.853 122.820 -0.051 0.000 1.933 415 A HA -0.097 4.218 4.320 -0.009 0.000 0.218 415 A C 2.367 179.925 177.584 -0.043 0.000 1.175 415 A CA 2.047 54.071 52.037 -0.022 0.000 0.628 415 A CB -0.688 18.289 19.000 -0.038 0.000 0.814 415 A HN 0.583 nan 8.150 nan 0.000 0.444 416 A N -0.671 122.101 122.820 -0.080 0.000 2.014 416 A HA 0.315 4.629 4.320 -0.009 0.000 0.218 416 A C 2.309 179.796 177.584 -0.161 0.000 1.163 416 A CA 1.671 53.649 52.037 -0.098 0.000 0.652 416 A CB -0.576 18.371 19.000 -0.089 0.000 0.808 416 A HN 0.952 nan 8.150 nan 0.000 0.449 417 A N -1.746 120.926 122.820 -0.247 0.000 2.030 417 A HA 0.437 4.752 4.320 -0.009 0.000 0.215 417 A C 0.351 177.460 177.584 -0.791 0.000 1.164 417 A CA 0.406 52.119 52.037 -0.539 0.000 0.697 417 A CB -0.048 18.537 19.000 -0.692 0.000 0.827 417 A HN 0.399 nan 8.150 nan 0.000 0.457 418 F N 0.041 119.945 119.950 -0.077 0.000 2.622 418 F HA 0.348 4.869 4.527 -0.009 0.000 0.338 418 F C -2.821 172.943 175.800 -0.061 0.000 1.334 418 F CA -2.913 55.046 58.000 -0.068 0.000 1.179 418 F CB 0.709 39.660 39.000 -0.081 0.000 1.471 418 F HN -0.077 nan 8.300 nan 0.000 0.576 419 P HA 0.186 nan 4.420 nan 0.000 0.264 419 P C 1.028 178.348 177.300 0.035 0.000 1.193 419 P CA 1.151 64.264 63.100 0.021 0.000 0.763 419 P CB 0.842 32.536 31.700 -0.010 0.000 0.810 420 G N 2.790 111.603 108.800 0.021 0.000 2.253 420 G HA2 -0.253 3.701 3.960 -0.009 0.000 0.251 420 G HA3 -0.253 3.701 3.960 -0.009 0.000 0.251 420 G C 0.448 175.356 174.900 0.014 0.000 0.998 420 G CA 0.057 45.166 45.100 0.014 0.000 0.621 420 G HN 0.593 nan 8.290 nan 0.000 0.524 421 D N 1.694 122.112 120.400 0.029 0.000 2.600 421 D HA 0.355 4.989 4.640 -0.009 0.000 0.226 421 D C 2.161 178.448 176.300 -0.021 0.000 1.119 421 D CA 0.482 54.481 54.000 -0.002 0.000 1.051 421 D CB 0.244 41.037 40.800 -0.011 0.000 1.106 421 D HN 0.668 nan 8.370 nan 0.000 0.491 422 V N 0.254 120.158 119.914 -0.017 0.000 2.759 422 V HA -0.140 3.974 4.120 -0.009 0.000 0.256 422 V C 1.714 177.794 176.094 -0.024 0.000 1.080 422 V CA 1.491 63.780 62.300 -0.017 0.000 1.101 422 V CB -0.364 31.453 31.823 -0.011 0.000 0.698 422 V HN 0.181 nan 8.190 nan 0.000 0.477 423 D N 0.451 120.831 120.400 -0.033 0.000 2.162 423 D HA -0.129 4.505 4.640 -0.009 0.000 0.203 423 D C 2.334 178.602 176.300 -0.055 0.000 0.967 423 D CA 1.105 55.085 54.000 -0.033 0.000 0.840 423 D CB -0.185 40.594 40.800 -0.034 0.000 0.972 423 D HN 0.401 nan 8.370 nan 0.000 0.482 424 R N -0.119 120.323 120.500 -0.096 0.000 2.105 424 R HA -0.095 4.239 4.340 -0.009 0.000 0.239 424 R C 2.231 178.458 176.300 -0.123 0.000 1.135 424 R CA 0.901 56.905 56.100 -0.161 0.000 0.967 424 R CB -0.220 29.925 30.300 -0.259 0.000 0.861 424 R HN 0.269 nan 8.270 nan 0.000 0.442 425 L N 0.478 121.657 121.223 -0.074 0.000 2.012 425 L HA -0.204 4.131 4.340 -0.009 0.000 0.210 425 L C 2.602 179.474 176.870 0.004 0.000 1.073 425 L CA 1.807 56.623 54.840 -0.040 0.000 0.748 425 L CB -0.473 41.572 42.059 -0.022 0.000 0.891 425 L HN 0.270 nan 8.230 nan 0.000 0.431 426 R N 0.016 120.523 120.500 0.012 0.000 2.153 426 R HA -0.067 4.268 4.340 -0.009 0.000 0.218 426 R C 2.077 178.424 176.300 0.078 0.000 1.072 426 R CA 0.873 57.002 56.100 0.049 0.000 0.990 426 R CB -0.503 29.820 30.300 0.038 0.000 0.889 426 R HN 0.198 nan 8.270 nan 0.000 0.452 427 R N 0.075 120.601 120.500 0.043 0.000 2.119 427 R HA 0.163 4.497 4.340 -0.009 0.000 0.222 427 R C 1.883 178.249 176.300 0.111 0.000 1.088 427 R CA 1.561 57.708 56.100 0.079 0.000 0.984 427 R CB -0.144 30.162 30.300 0.011 0.000 0.884 427 R HN 0.308 nan 8.270 nan 0.000 0.447 428 M N 0.224 119.814 119.600 -0.017 0.000 2.502 428 M HA 0.049 4.523 4.480 -0.009 0.000 0.243 428 M C 0.786 177.223 176.300 0.227 0.000 1.130 428 M CA 0.012 55.254 55.300 -0.097 0.000 1.055 428 M CB 0.500 32.903 32.600 -0.329 0.000 1.457 428 M HN -0.092 nan 8.290 nan 0.000 0.488 429 S N 1.048 116.898 115.700 0.251 0.000 2.558 429 S HA 0.058 4.522 4.470 -0.009 0.000 0.288 429 S C 1.159 176.005 174.600 0.411 0.000 1.318 429 S CA -0.230 58.149 58.200 0.299 0.000 1.056 429 S CB 0.558 63.881 63.200 0.205 0.000 0.853 429 S HN 0.367 nan 8.310 nan 0.000 0.505 430 L N 4.232 125.653 121.223 0.330 0.000 2.291 430 L HA 0.089 4.423 4.340 -0.009 0.000 0.214 430 L C 0.394 177.376 176.870 0.187 0.000 1.120 430 L CA 0.389 55.386 54.840 0.261 0.000 0.799 430 L CB -0.375 41.775 42.059 0.151 0.000 0.925 430 L HN 0.411 nan 8.230 nan 0.000 0.446 431 V N 0.766 120.801 119.914 0.203 0.000 2.407 431 V HA 0.154 4.268 4.120 -0.009 0.000 0.278 431 V C 0.076 176.264 176.094 0.157 0.000 1.037 431 V CA -0.514 61.895 62.300 0.182 0.000 0.900 431 V CB 1.577 33.544 31.823 0.240 0.000 0.983 431 V HN 0.167 nan 8.190 nan 0.000 0.459 432 E N 3.263 123.535 120.200 0.119 0.000 2.133 432 E HA 0.413 4.757 4.350 -0.009 0.000 0.274 432 E C -0.577 176.076 176.600 0.089 0.000 0.930 432 E CA -0.562 55.897 56.400 0.099 0.000 0.770 432 E CB 1.263 31.000 29.700 0.062 0.000 1.104 432 E HN 0.721 nan 8.360 nan 0.000 0.403 433 E N 2.059 122.308 120.200 0.082 0.000 2.312 433 E HA 0.690 5.035 4.350 -0.009 0.000 0.259 433 E C 0.075 176.712 176.600 0.061 0.000 1.122 433 E CA 0.790 57.232 56.400 0.070 0.000 0.922 433 E CB 1.514 31.249 29.700 0.059 0.000 1.109 433 E HN 0.718 nan 8.360 nan 0.000 0.442 434 G N -0.215 108.619 108.800 0.057 0.000 2.291 434 G HA2 0.209 4.164 3.960 -0.009 0.000 0.249 434 G HA3 0.209 4.164 3.960 -0.009 0.000 0.249 434 G C 0.506 175.439 174.900 0.054 0.000 1.340 434 G CA 0.318 45.448 45.100 0.051 0.000 1.017 434 G HN 0.660 nan 8.290 nan 0.000 0.470 435 A N -0.794 122.057 122.820 0.052 0.000 1.863 435 A HA 0.263 4.578 4.320 -0.009 0.000 0.218 435 A C 1.717 179.344 177.584 0.072 0.000 1.233 435 A CA 4.403 56.473 52.037 0.055 0.000 0.655 435 A CB -1.334 17.698 19.000 0.053 0.000 0.839 435 A HN 2.389 nan 8.150 nan 0.000 0.454 436 V N -3.673 116.295 119.914 0.089 0.000 2.604 436 V HA 0.569 4.684 4.120 -0.009 0.000 0.305 436 V C -0.417 175.744 176.094 0.112 0.000 1.043 436 V CA -1.360 61.014 62.300 0.123 0.000 0.888 436 V CB 1.515 33.442 31.823 0.174 0.000 0.995 436 V HN 0.364 nan 8.190 nan 0.000 0.429 437 K N 3.559 124.032 120.400 0.122 0.000 2.448 437 K HA 0.404 4.719 4.320 -0.009 0.000 0.278 437 K C -0.227 176.433 176.600 0.099 0.000 1.009 437 K CA 0.107 56.462 56.287 0.113 0.000 0.995 437 K CB 0.576 33.158 32.500 0.136 0.000 0.917 437 K HN 0.740 nan 8.250 nan 0.000 0.481 438 R N 1.776 122.327 120.500 0.085 0.000 2.836 438 R HA 0.484 4.818 4.340 -0.009 0.000 0.269 438 R C -0.768 175.567 176.300 0.058 0.000 1.010 438 R CA -1.023 55.115 56.100 0.064 0.000 0.930 438 R CB 1.316 31.638 30.300 0.037 0.000 1.218 438 R HN 0.359 nan 8.270 nan 0.000 0.473 439 I N 1.838 122.435 120.570 0.046 0.000 2.354 439 I HA 0.180 4.345 4.170 -0.009 0.000 0.292 439 I C -0.314 175.784 176.117 -0.032 0.000 0.989 439 I CA -0.725 60.590 61.300 0.024 0.000 1.188 439 I CB 1.374 39.384 38.000 0.016 0.000 1.342 439 I HN 0.516 nan 8.210 nan 0.000 0.457 440 N N 7.115 125.771 118.700 -0.073 0.000 2.415 440 N HA 0.106 4.841 4.740 -0.009 0.000 0.246 440 N C 0.802 176.204 175.510 -0.180 0.000 1.078 440 N CA -0.365 52.561 53.050 -0.206 0.000 0.942 440 N CB 1.018 39.259 38.487 -0.410 0.000 1.140 440 N HN 0.383 nan 8.380 nan 0.000 0.501 441 M N 2.421 121.917 119.600 -0.173 0.000 2.296 441 M HA -0.064 4.410 4.480 -0.009 0.000 0.265 441 M C 1.907 178.053 176.300 -0.257 0.000 1.064 441 M CA 0.715 55.927 55.300 -0.146 0.000 1.109 441 M CB -1.519 31.037 32.600 -0.072 0.000 1.396 441 M HN 0.604 nan 8.290 nan 0.000 0.430 442 A N -0.604 122.051 122.820 -0.276 0.000 1.930 442 A HA -0.157 4.158 4.320 -0.009 0.000 0.217 442 A C 1.966 179.289 177.584 -0.435 0.000 1.175 442 A CA 1.356 53.183 52.037 -0.350 0.000 0.627 442 A CB -1.078 17.899 19.000 -0.039 0.000 0.815 442 A HN 0.595 nan 8.150 nan 0.000 0.443 443 H N -1.099 117.729 119.070 -0.403 0.000 2.423 443 H HA 0.016 4.566 4.556 -0.009 0.000 0.297 443 H C 2.097 177.174 175.328 -0.419 0.000 1.075 443 H CA 0.845 56.599 56.048 -0.491 0.000 1.342 443 H CB -0.000 29.692 29.762 -0.116 0.000 1.395 443 H HN 0.383 nan 8.280 nan 0.000 0.530 444 L N 0.293 121.412 121.223 -0.172 0.000 2.017 444 L HA -0.218 4.116 4.340 -0.009 0.000 0.208 444 L C 2.176 178.906 176.870 -0.235 0.000 1.073 444 L CA 1.234 55.982 54.840 -0.153 0.000 0.745 444 L CB -0.350 41.648 42.059 -0.101 0.000 0.894 444 L HN 0.435 nan 8.230 nan 0.000 0.432 445 C N 0.080 119.141 119.300 -0.398 0.000 2.429 445 C HA -0.170 4.285 4.460 -0.009 0.000 0.277 445 C C 2.664 177.405 174.990 -0.414 0.000 1.262 445 C CA 0.608 59.322 59.018 -0.507 0.000 1.733 445 C CB -0.761 26.310 27.740 -1.115 0.000 2.010 445 C HN 0.516 nan 8.230 nan 0.000 0.483 446 I N 1.298 121.573 120.570 -0.492 0.000 2.252 446 I HA -0.180 3.984 4.170 -0.009 0.000 0.245 446 I C 2.750 178.709 176.117 -0.263 0.000 1.102 446 I CA 1.580 62.636 61.300 -0.406 0.000 1.385 446 I CB -0.569 37.043 38.000 -0.646 0.000 1.064 446 I HN 0.268 nan 8.210 nan 0.000 0.414 447 A N 0.654 123.294 122.820 -0.299 0.000 1.898 447 A HA -0.066 4.249 4.320 -0.009 0.000 0.216 447 A C 2.189 179.808 177.584 0.059 0.000 1.181 447 A CA 1.773 53.691 52.037 -0.198 0.000 0.620 447 A CB -1.096 17.611 19.000 -0.487 0.000 0.819 447 A HN 0.464 nan 8.150 nan 0.000 0.442 448 G N -0.915 107.856 108.800 -0.049 0.000 3.371 448 G HA2 0.426 4.380 3.960 -0.009 0.000 0.248 448 G HA3 0.426 4.380 3.960 -0.009 0.000 0.248 448 G C 0.051 174.776 174.900 -0.292 0.000 1.161 448 G CA 0.444 45.365 45.100 -0.298 0.000 0.796 448 G HN 0.340 nan 8.290 nan 0.000 0.539 449 S N -0.487 115.107 115.700 -0.177 0.000 2.566 449 S HA 0.355 4.819 4.470 -0.009 0.000 0.298 449 S C 0.588 175.144 174.600 -0.073 0.000 1.083 449 S CA -0.730 57.403 58.200 -0.112 0.000 0.978 449 S CB 1.298 64.439 63.200 -0.099 0.000 1.073 449 S HN 0.504 nan 8.310 nan 0.000 0.491 450 H N -0.439 118.592 119.070 -0.065 0.000 2.551 450 H HA 0.579 5.129 4.556 -0.009 0.000 0.271 450 H C -0.027 175.279 175.328 -0.036 0.000 0.984 450 H CA 0.091 56.125 56.048 -0.024 0.000 1.164 450 H CB 0.138 29.906 29.762 0.010 0.000 1.437 450 H HN 0.520 nan 8.280 nan 0.000 0.550 451 A N 0.896 123.408 122.820 -0.513 0.000 2.517 451 A HA 0.542 4.856 4.320 -0.009 0.000 0.297 451 A C -1.536 175.847 177.584 -0.335 0.000 1.050 451 A CA -0.551 51.225 52.037 -0.435 0.000 0.694 451 A CB 2.003 20.695 19.000 -0.514 0.000 1.277 451 A HN 0.086 nan 8.150 nan 0.000 0.400 452 V N 4.253 123.939 119.914 -0.380 0.000 2.531 452 V HA 0.552 4.667 4.120 -0.009 0.000 0.301 452 V C -0.689 175.252 176.094 -0.255 0.000 1.034 452 V CA -0.756 61.341 62.300 -0.338 0.000 0.865 452 V CB 1.787 33.289 31.823 -0.534 0.000 0.995 452 V HN 1.008 nan 8.190 nan 0.000 0.424 453 N N 3.133 121.697 118.700 -0.228 0.000 2.240 453 N HA 0.602 5.337 4.740 -0.009 0.000 0.302 453 N C -0.241 175.187 175.510 -0.137 0.000 1.106 453 N CA -0.370 52.581 53.050 -0.164 0.000 0.778 453 N CB 2.879 41.237 38.487 -0.216 0.000 1.431 453 N HN 0.634 nan 8.380 nan 0.000 0.479 454 G N -0.711 108.036 108.800 -0.088 0.000 2.522 454 G HA2 0.408 4.363 3.960 -0.009 0.000 0.304 454 G HA3 0.408 4.363 3.960 -0.009 0.000 0.304 454 G C 0.794 175.761 174.900 0.111 0.000 1.210 454 G CA -0.525 44.562 45.100 -0.021 0.000 0.960 454 G HN 0.606 nan 8.290 nan 0.000 0.497 455 V N -3.436 116.670 119.914 0.321 0.000 3.483 455 V HA 0.684 4.798 4.120 -0.009 0.000 0.301 455 V C 0.592 176.770 176.094 0.141 0.000 1.389 455 V CA 0.315 62.703 62.300 0.147 0.000 1.101 455 V CB -0.887 30.965 31.823 0.050 0.000 0.971 455 V HN 1.296 nan 8.190 nan 0.000 0.434 456 A N -0.111 122.804 122.820 0.159 0.000 2.605 456 A HA 0.628 4.943 4.320 -0.009 0.000 0.294 456 A C 0.696 178.332 177.584 0.086 0.000 1.062 456 A CA -0.142 51.965 52.037 0.118 0.000 0.682 456 A CB 1.209 20.272 19.000 0.106 0.000 1.278 456 A HN 0.020 nan 8.150 nan 0.000 0.410 457 R N 0.914 121.444 120.500 0.050 0.000 2.096 457 R HA -0.169 4.165 4.340 -0.009 0.000 0.240 457 R C 1.672 177.971 176.300 -0.002 0.000 1.139 457 R CA 2.334 58.440 56.100 0.010 0.000 0.952 457 R CB -0.235 30.067 30.300 0.003 0.000 0.854 457 R HN 0.827 nan 8.270 nan 0.000 0.436 458 I N 0.207 120.787 120.570 0.016 0.000 2.286 458 I HA -0.294 3.870 4.170 -0.009 0.000 0.248 458 I C 2.358 178.485 176.117 0.016 0.000 1.115 458 I CA 1.856 63.158 61.300 0.003 0.000 1.392 458 I CB -0.241 37.762 38.000 0.006 0.000 1.065 458 I HN 0.353 nan 8.210 nan 0.000 0.418 459 H N 0.278 119.322 119.070 -0.044 0.000 2.353 459 H HA -0.122 4.428 4.556 -0.009 0.000 0.300 459 H C 2.254 177.547 175.328 -0.059 0.000 1.090 459 H CA 2.188 58.204 56.048 -0.053 0.000 1.327 459 H CB -0.274 29.464 29.762 -0.040 0.000 1.383 459 H HN 0.231 nan 8.280 nan 0.000 0.508 460 S N 0.220 115.789 115.700 -0.219 0.000 2.382 460 S HA -0.117 4.348 4.470 -0.009 0.000 0.228 460 S C 1.901 176.368 174.600 -0.221 0.000 1.027 460 S CA 1.173 59.221 58.200 -0.254 0.000 0.991 460 S CB -0.063 63.065 63.200 -0.119 0.000 0.823 460 S HN 0.480 nan 8.310 nan 0.000 0.469 461 E N 1.175 121.273 120.200 -0.170 0.000 2.072 461 E HA 0.009 4.354 4.350 -0.009 0.000 0.191 461 E C 2.014 178.494 176.600 -0.200 0.000 0.985 461 E CA 0.624 56.916 56.400 -0.180 0.000 0.801 461 E CB -0.367 29.262 29.700 -0.120 0.000 0.750 461 E HN 0.501 nan 8.360 nan 0.000 0.452 462 I N 0.967 121.435 120.570 -0.169 0.000 2.264 462 I HA -0.275 3.889 4.170 -0.009 0.000 0.248 462 I C 2.356 178.341 176.117 -0.220 0.000 1.111 462 I CA 0.805 62.010 61.300 -0.159 0.000 1.382 462 I CB -0.218 37.722 38.000 -0.099 0.000 1.060 462 I HN 0.067 nan 8.210 nan 0.000 0.418 463 L N 0.309 121.360 121.223 -0.286 0.000 2.093 463 L HA -0.206 4.128 4.340 -0.009 0.000 0.208 463 L C 2.437 179.150 176.870 -0.262 0.000 1.085 463 L CA 1.487 56.156 54.840 -0.285 0.000 0.755 463 L CB -0.502 41.442 42.059 -0.191 0.000 0.904 463 L HN 0.186 nan 8.230 nan 0.000 0.435 464 K N -0.134 120.042 120.400 -0.373 0.000 2.228 464 K HA -0.085 4.229 4.320 -0.009 0.000 0.202 464 K C 1.913 178.290 176.600 -0.371 0.000 1.051 464 K CA 0.789 56.717 56.287 -0.598 0.000 0.960 464 K CB 0.115 32.015 32.500 -0.999 0.000 0.743 464 K HN 0.227 nan 8.250 nan 0.000 0.458 465 K N -0.020 120.229 120.400 -0.253 0.000 2.356 465 K HA -0.002 4.313 4.320 -0.009 0.000 0.195 465 K C 1.535 178.074 176.600 -0.101 0.000 1.037 465 K CA 1.144 57.342 56.287 -0.148 0.000 1.014 465 K CB 0.668 33.092 32.500 -0.126 0.000 0.815 465 K HN 0.254 nan 8.250 nan 0.000 0.507 466 T N -1.885 112.598 114.554 -0.119 0.000 3.349 466 T HA 0.045 4.389 4.350 -0.009 0.000 0.169 466 T C 1.535 176.182 174.700 -0.088 0.000 0.938 466 T CA -0.367 61.678 62.100 -0.091 0.000 1.017 466 T CB -0.659 68.150 68.868 -0.097 0.000 1.476 466 T HN -0.102 nan 8.240 nan 0.000 0.327 467 I N 1.381 121.840 120.570 -0.185 0.000 2.181 467 I HA -0.015 4.149 4.170 -0.009 0.000 0.247 467 I C 1.002 177.043 176.117 -0.128 0.000 1.081 467 I CA 1.633 62.761 61.300 -0.286 0.000 1.340 467 I CB -0.402 37.222 38.000 -0.626 0.000 1.036 467 I HN 0.538 nan 8.210 nan 0.000 0.417 468 F N -0.718 119.291 119.950 0.098 0.000 2.805 468 F HA 0.216 4.737 4.527 -0.009 0.000 0.317 468 F C 1.773 177.641 175.800 0.114 0.000 1.146 468 F CA -0.497 57.639 58.000 0.227 0.000 1.265 468 F CB -0.096 39.024 39.000 0.199 0.000 0.992 468 F HN -0.112 nan 8.300 nan 0.000 0.511 469 K N 1.029 121.528 120.400 0.165 0.000 2.074 469 K HA -0.212 4.102 4.320 -0.009 0.000 0.209 469 K C 1.310 177.956 176.600 0.077 0.000 1.048 469 K CA 2.183 58.515 56.287 0.076 0.000 0.926 469 K CB 0.008 32.519 32.500 0.019 0.000 0.713 469 K HN 0.188 nan 8.250 nan 0.000 0.444 470 D N -0.095 120.314 120.400 0.014 0.000 2.117 470 D HA -0.162 4.472 4.640 -0.009 0.000 0.197 470 D C 1.829 178.024 176.300 -0.175 0.000 0.987 470 D CA 1.244 55.127 54.000 -0.196 0.000 0.829 470 D CB -0.296 40.276 40.800 -0.380 0.000 0.961 470 D HN 0.240 nan 8.370 nan 0.000 0.460 471 F N -0.028 120.007 119.950 0.141 0.000 2.186 471 F HA -0.146 4.375 4.527 -0.009 0.000 0.299 471 F C 2.356 178.341 175.800 0.308 0.000 1.090 471 F CA 0.516 58.680 58.000 0.273 0.000 1.307 471 F CB -0.729 38.489 39.000 0.363 0.000 1.019 471 F HN -0.033 nan 8.300 nan 0.000 0.489 472 Y N 1.395 121.722 120.300 0.044 0.000 2.181 472 Y HA -0.206 4.338 4.550 -0.009 0.000 0.288 472 Y C 2.159 178.096 175.900 0.062 0.000 1.146 472 Y CA 1.684 59.668 58.100 -0.194 0.000 1.164 472 Y CB -0.698 37.443 38.460 -0.531 0.000 0.982 472 Y HN 0.135 nan 8.280 nan 0.000 0.515 473 E N -0.226 119.936 120.200 -0.064 0.000 2.153 473 E HA -0.194 4.150 4.350 -0.009 0.000 0.194 473 E C 2.205 178.863 176.600 0.096 0.000 0.988 473 E CA 0.956 57.319 56.400 -0.061 0.000 0.811 473 E CB -0.204 29.507 29.700 0.019 0.000 0.746 473 E HN 0.432 nan 8.360 nan 0.000 0.466 474 L N 0.681 122.006 121.223 0.169 0.000 2.095 474 L HA -0.028 4.306 4.340 -0.009 0.000 0.204 474 L C 0.118 177.087 176.870 0.165 0.000 1.080 474 L CA 1.540 56.516 54.840 0.227 0.000 0.759 474 L CB 0.159 42.359 42.059 0.234 0.000 0.914 474 L HN 0.022 nan 8.230 nan 0.000 0.439 475 E N 0.270 120.567 120.200 0.162 0.000 3.352 475 E HA 0.159 4.504 4.350 -0.009 0.000 0.254 475 E C -1.908 174.661 176.600 -0.053 0.000 1.229 475 E CA -1.251 55.161 56.400 0.020 0.000 0.949 475 E CB 0.976 30.645 29.700 -0.051 0.000 1.373 475 E HN 0.196 nan 8.360 nan 0.000 0.392 476 P HA -0.247 nan 4.420 nan 0.000 0.219 476 P C 1.111 178.527 177.300 0.194 0.000 1.146 476 P CA 1.364 64.422 63.100 -0.068 0.000 0.808 476 P CB -0.007 31.510 31.700 -0.305 0.000 0.779 477 H N 0.115 119.284 119.070 0.165 0.000 2.491 477 H HA 0.087 4.638 4.556 -0.009 0.000 0.290 477 H C 1.475 176.870 175.328 0.111 0.000 1.050 477 H CA 0.721 56.849 56.048 0.134 0.000 1.309 477 H CB -0.675 29.140 29.762 0.088 0.000 1.392 477 H HN 0.164 nan 8.280 nan 0.000 0.554 478 K N 0.327 120.559 120.400 -0.281 0.000 2.217 478 K HA 0.034 4.348 4.320 -0.009 0.000 0.202 478 K C -0.130 176.252 176.600 -0.363 0.000 1.051 478 K CA 0.261 56.353 56.287 -0.326 0.000 0.952 478 K CB 0.072 32.244 32.500 -0.547 0.000 0.736 478 K HN 0.095 nan 8.250 nan 0.000 0.453 479 F N 1.912 121.892 119.950 0.050 0.000 2.438 479 F HA 0.154 4.675 4.527 -0.010 0.000 0.356 479 F C 0.553 176.357 175.800 0.006 0.000 1.099 479 F CA -0.024 58.007 58.000 0.052 0.000 1.185 479 F CB 0.790 39.875 39.000 0.142 0.000 1.115 479 F HN -0.082 nan 8.300 nan 0.000 0.526 480 Q N 1.681 121.512 119.800 0.051 0.000 2.683 480 Q HA 0.388 4.722 4.340 -0.009 0.000 0.302 480 Q C -1.187 174.775 176.000 -0.065 0.000 1.042 480 Q CA -1.293 54.493 55.803 -0.028 0.000 0.773 480 Q CB 3.077 31.744 28.738 -0.118 0.000 1.508 480 Q HN 0.625 nan 8.270 nan 0.000 0.459 481 N N 0.520 119.160 118.700 -0.100 0.000 2.240 481 N HA 0.311 5.046 4.740 -0.009 0.000 0.302 481 N C -1.588 173.821 175.510 -0.169 0.000 1.106 481 N CA -0.396 52.592 53.050 -0.103 0.000 0.778 481 N CB 1.240 39.689 38.487 -0.064 0.000 1.431 481 N HN 0.289 nan 8.380 nan 0.000 0.479 482 K N 2.533 122.840 120.400 -0.154 0.000 2.832 482 K HA 0.169 4.484 4.320 -0.009 0.000 0.243 482 K C -1.090 175.515 176.600 0.009 0.000 1.117 482 K CA -0.456 55.712 56.287 -0.198 0.000 1.068 482 K CB 1.090 33.243 32.500 -0.578 0.000 1.286 482 K HN 0.558 nan 8.250 nan 0.000 0.553 483 T N 1.985 116.562 114.554 0.038 0.000 2.902 483 T HA 0.057 4.401 4.350 -0.009 0.000 0.301 483 T C 0.805 175.628 174.700 0.204 0.000 1.012 483 T CA 0.396 62.569 62.100 0.122 0.000 1.151 483 T CB 0.284 69.222 68.868 0.116 0.000 0.946 483 T HN 0.335 nan 8.240 nan 0.000 0.542 484 N N 0.628 119.472 118.700 0.240 0.000 2.267 484 N HA 0.400 5.135 4.740 -0.009 0.000 0.226 484 N C 0.444 176.137 175.510 0.305 0.000 1.314 484 N CA -0.208 53.017 53.050 0.292 0.000 0.887 484 N CB 0.395 39.002 38.487 0.200 0.000 1.120 484 N HN 0.756 nan 8.380 nan 0.000 0.440 485 G N -0.563 108.428 108.800 0.318 0.000 2.684 485 G HA2 0.585 4.539 3.960 -0.009 0.000 0.290 485 G HA3 0.585 4.539 3.960 -0.009 0.000 0.290 485 G C -1.311 173.729 174.900 0.233 0.000 1.425 485 G CA -0.731 44.539 45.100 0.284 0.000 0.822 485 G HN 0.594 nan 8.290 nan 0.000 0.482 486 I N -2.133 118.556 120.570 0.199 0.000 2.785 486 I HA 0.762 4.926 4.170 -0.009 0.000 0.302 486 I C -0.196 176.089 176.117 0.281 0.000 1.069 486 I CA -0.921 60.493 61.300 0.190 0.000 1.045 486 I CB 2.486 40.477 38.000 -0.016 0.000 1.236 486 I HN 0.475 nan 8.210 nan 0.000 0.429 487 T N 4.536 119.322 114.554 0.387 0.000 2.794 487 T HA 0.337 4.681 4.350 -0.009 0.000 0.296 487 T C -1.267 173.561 174.700 0.214 0.000 0.949 487 T CA -1.668 60.574 62.100 0.237 0.000 1.101 487 T CB 0.781 69.729 68.868 0.133 0.000 0.905 487 T HN 0.640 nan 8.240 nan 0.000 0.516 488 P HA -0.017 nan 4.420 nan 0.000 0.226 488 P C 1.114 178.392 177.300 -0.036 0.000 1.153 488 P CA 0.479 63.623 63.100 0.073 0.000 0.777 488 P CB 0.400 32.124 31.700 0.040 0.000 0.794 489 R N 0.443 120.874 120.500 -0.115 0.000 2.056 489 R HA 0.003 4.337 4.340 -0.009 0.000 0.227 489 R C 2.761 178.950 176.300 -0.185 0.000 1.149 489 R CA 1.579 57.573 56.100 -0.178 0.000 0.937 489 R CB -1.239 28.964 30.300 -0.162 0.000 0.835 489 R HN 0.053 nan 8.270 nan 0.000 0.430 490 R N -0.758 119.569 120.500 -0.288 0.000 2.075 490 R HA -0.110 4.224 4.340 -0.009 0.000 0.232 490 R C 1.071 177.009 176.300 -0.603 0.000 1.126 490 R CA 1.528 57.303 56.100 -0.541 0.000 0.963 490 R CB -0.177 29.617 30.300 -0.844 0.000 0.858 490 R HN 0.295 nan 8.270 nan 0.000 0.435 491 W N 0.042 121.304 121.300 -0.064 0.000 3.405 491 W HA 0.130 4.784 4.660 -0.010 0.000 0.300 491 W C 0.949 177.440 176.519 -0.045 0.000 1.286 491 W CA -0.648 56.657 57.345 -0.066 0.000 1.762 491 W CB 0.361 29.785 29.460 -0.059 0.000 1.087 491 W HN 0.236 nan 8.180 nan 0.000 0.703 492 L N -2.437 118.841 121.223 0.091 0.000 2.604 492 L HA 0.158 4.492 4.340 -0.009 0.000 0.150 492 L C 1.772 178.663 176.870 0.036 0.000 1.292 492 L CA 0.701 55.594 54.840 0.089 0.000 0.977 492 L CB -0.855 41.282 42.059 0.131 0.000 1.943 492 L HN -0.263 nan 8.230 nan 0.000 0.508 493 V N 1.300 121.216 119.914 0.003 0.000 2.287 493 V HA -0.284 3.830 4.120 -0.009 0.000 0.248 493 V C 2.439 178.512 176.094 -0.034 0.000 1.053 493 V CA 2.549 64.841 62.300 -0.013 0.000 1.027 493 V CB -0.710 31.081 31.823 -0.053 0.000 0.646 493 V HN 0.519 nan 8.190 nan 0.000 0.447 494 L N 0.431 121.604 121.223 -0.083 0.000 2.023 494 L HA -0.169 4.165 4.340 -0.009 0.000 0.205 494 L C 2.473 179.285 176.870 -0.097 0.000 1.073 494 L CA 2.318 57.093 54.840 -0.110 0.000 0.745 494 L CB -0.238 41.706 42.059 -0.191 0.000 0.900 494 L HN 0.652 nan 8.230 nan 0.000 0.435 495 C N -1.777 117.461 119.300 -0.103 0.000 2.563 495 C HA 0.212 4.667 4.460 -0.009 0.000 0.268 495 C C 1.175 176.153 174.990 -0.019 0.000 1.365 495 C CA -0.302 58.675 59.018 -0.068 0.000 1.754 495 C CB -1.017 26.686 27.740 -0.061 0.000 1.932 495 C HN 0.588 nan 8.230 nan 0.000 0.536 496 N N 1.153 119.853 118.700 -0.000 0.000 2.703 496 N HA 0.278 5.013 4.740 -0.009 0.000 0.283 496 N C -1.691 173.836 175.510 0.027 0.000 1.851 496 N CA -1.597 51.464 53.050 0.018 0.000 0.826 496 N CB 0.753 39.260 38.487 0.033 0.000 1.239 496 N HN 0.256 nan 8.380 nan 0.000 0.495 497 P HA -0.056 nan 4.420 nan 0.000 0.218 497 P C 1.402 178.722 177.300 0.033 0.000 1.149 497 P CA 0.939 64.054 63.100 0.025 0.000 0.817 497 P CB 0.242 31.949 31.700 0.012 0.000 0.785 498 G N 0.657 109.471 108.800 0.023 0.000 2.440 498 G HA2 -0.250 3.704 3.960 -0.009 0.000 0.218 498 G HA3 -0.250 3.704 3.960 -0.009 0.000 0.218 498 G C 1.534 176.446 174.900 0.021 0.000 1.154 498 G CA 0.714 45.825 45.100 0.018 0.000 0.767 498 G HN 0.259 nan 8.290 nan 0.000 0.552 499 L N 1.177 122.414 121.223 0.024 0.000 2.109 499 L HA 0.310 4.645 4.340 -0.009 0.000 0.207 499 L C 3.028 179.933 176.870 0.059 0.000 1.086 499 L CA 1.909 56.763 54.840 0.022 0.000 0.760 499 L CB -0.692 41.380 42.059 0.021 0.000 0.910 499 L HN 0.219 nan 8.230 nan 0.000 0.437 500 A N -0.770 122.106 122.820 0.094 0.000 1.933 500 A HA -0.236 4.078 4.320 -0.009 0.000 0.218 500 A C 2.227 179.915 177.584 0.173 0.000 1.175 500 A CA 1.754 53.900 52.037 0.181 0.000 0.628 500 A CB -0.612 18.487 19.000 0.165 0.000 0.814 500 A HN 0.530 nan 8.150 nan 0.000 0.444 501 E N 0.758 121.019 120.200 0.102 0.000 2.028 501 E HA -0.154 4.190 4.350 -0.009 0.000 0.191 501 E C 1.868 178.513 176.600 0.076 0.000 0.988 501 E CA 1.589 58.038 56.400 0.082 0.000 0.799 501 E CB -0.515 29.214 29.700 0.049 0.000 0.755 501 E HN 0.732 nan 8.360 nan 0.000 0.447 502 I N -1.712 118.898 120.570 0.068 0.000 2.493 502 I HA -0.129 4.035 4.170 -0.009 0.000 0.254 502 I C 2.100 178.303 176.117 0.143 0.000 1.160 502 I CA 1.034 62.390 61.300 0.094 0.000 1.445 502 I CB -0.327 37.715 38.000 0.070 0.000 1.086 502 I HN 0.024 nan 8.210 nan 0.000 0.433 503 I N 1.957 122.585 120.570 0.097 0.000 2.193 503 I HA -0.161 4.004 4.170 -0.009 0.000 0.240 503 I C 3.048 179.126 176.117 -0.064 0.000 1.084 503 I CA 1.263 62.550 61.300 -0.022 0.000 1.365 503 I CB -0.487 37.378 38.000 -0.225 0.000 1.064 503 I HN 0.279 nan 8.210 nan 0.000 0.410 504 A N 0.418 123.293 122.820 0.091 0.000 1.940 504 A HA -0.258 4.057 4.320 -0.009 0.000 0.219 504 A C 2.155 179.772 177.584 0.055 0.000 1.176 504 A CA 1.775 53.913 52.037 0.169 0.000 0.631 504 A CB -0.669 18.461 19.000 0.218 0.000 0.814 504 A HN 0.444 nan 8.150 nan 0.000 0.446 505 E N -0.830 119.385 120.200 0.023 0.000 2.171 505 E HA -0.214 4.131 4.350 -0.009 0.000 0.197 505 E C 2.258 178.821 176.600 -0.063 0.000 0.997 505 E CA 1.254 57.650 56.400 -0.006 0.000 0.810 505 E CB -0.013 29.688 29.700 0.002 0.000 0.738 505 E HN 0.509 nan 8.360 nan 0.000 0.467 506 R N -0.105 120.300 120.500 -0.157 0.000 2.087 506 R HA 0.083 4.418 4.340 -0.009 0.000 0.216 506 R C 2.279 178.496 176.300 -0.139 0.000 1.114 506 R CA 0.866 56.795 56.100 -0.285 0.000 1.002 506 R CB -0.173 29.645 30.300 -0.803 0.000 0.903 506 R HN 0.314 nan 8.270 nan 0.000 0.445 507 I N -2.783 117.726 120.570 -0.100 0.000 4.081 507 I HA 0.443 4.607 4.170 -0.009 0.000 0.333 507 I C 0.371 176.531 176.117 0.073 0.000 1.413 507 I CA 0.004 61.302 61.300 -0.004 0.000 1.110 507 I CB 0.787 38.775 38.000 -0.020 0.000 1.082 507 I HN 0.171 nan 8.210 nan 0.000 0.402 508 G N 2.150 111.003 108.800 0.089 0.000 2.685 508 G HA2 -0.203 3.751 3.960 -0.009 0.000 0.387 508 G HA3 -0.203 3.751 3.960 -0.009 0.000 0.387 508 G C -0.089 174.940 174.900 0.215 0.000 1.324 508 G CA 0.080 45.252 45.100 0.119 0.000 0.878 508 G HN 0.440 nan 8.290 nan 0.000 0.527 509 E N -0.342 119.929 120.200 0.118 0.000 2.472 509 E HA 0.061 4.405 4.350 -0.009 0.000 0.196 509 E C 1.877 178.419 176.600 -0.097 0.000 1.033 509 E CA 0.048 56.453 56.400 0.008 0.000 0.886 509 E CB 0.238 29.939 29.700 0.002 0.000 0.944 509 E HN 0.467 nan 8.360 nan 0.000 0.492 510 E N 0.694 120.911 120.200 0.029 0.000 2.219 510 E HA -0.203 4.141 4.350 -0.009 0.000 0.198 510 E C 1.775 178.368 176.600 -0.011 0.000 0.998 510 E CA 1.046 57.458 56.400 0.020 0.000 0.818 510 E CB -0.079 29.659 29.700 0.062 0.000 0.741 510 E HN 0.541 nan 8.360 nan 0.000 0.477 511 Y N -0.618 119.684 120.300 0.003 0.000 2.333 511 Y HA -0.118 4.428 4.550 -0.008 0.000 0.290 511 Y C 1.946 177.819 175.900 -0.045 0.000 1.144 511 Y CA 0.438 58.532 58.100 -0.010 0.000 1.228 511 Y CB -0.536 37.924 38.460 -0.001 0.000 0.985 511 Y HN -0.101 nan 8.280 nan 0.000 0.542 512 I N 1.364 121.439 120.570 -0.824 0.000 2.315 512 I HA -0.261 3.903 4.170 -0.009 0.000 0.251 512 I C 1.702 177.555 176.117 -0.439 0.000 1.125 512 I CA 1.978 62.854 61.300 -0.706 0.000 1.392 512 I CB -1.530 35.977 38.000 -0.823 0.000 1.065 512 I HN 0.567 nan 8.210 nan 0.000 0.424 513 S N -1.415 114.129 115.700 -0.261 0.000 2.741 513 S HA 0.270 4.734 4.470 -0.009 0.000 0.247 513 S C 0.132 174.709 174.600 -0.038 0.000 1.050 513 S CA -0.481 57.642 58.200 -0.127 0.000 1.025 513 S CB 0.320 63.506 63.200 -0.023 0.000 0.897 513 S HN 0.331 nan 8.310 nan 0.000 0.508 514 D N 0.718 121.106 120.400 -0.019 0.000 3.595 514 D HA 0.180 4.814 4.640 -0.009 0.000 0.253 514 D C 0.699 177.042 176.300 0.072 0.000 1.395 514 D CA -0.307 53.709 54.000 0.026 0.000 0.820 514 D CB -0.371 40.449 40.800 0.033 0.000 1.431 514 D HN 0.184 nan 8.370 nan 0.000 0.690 515 L N 0.235 121.504 121.223 0.076 0.000 2.197 515 L HA -0.169 4.166 4.340 -0.009 0.000 0.215 515 L C 1.303 178.227 176.870 0.090 0.000 1.095 515 L CA 1.182 56.097 54.840 0.124 0.000 0.764 515 L CB -0.025 42.099 42.059 0.108 0.000 0.897 515 L HN 0.312 nan 8.230 nan 0.000 0.436 516 D N -0.275 120.154 120.400 0.048 0.000 2.182 516 D HA -0.230 4.405 4.640 -0.009 0.000 0.201 516 D C 2.087 178.410 176.300 0.038 0.000 0.986 516 D CA 1.032 55.047 54.000 0.025 0.000 0.847 516 D CB -0.081 40.721 40.800 0.003 0.000 0.942 516 D HN 0.492 nan 8.370 nan 0.000 0.467 517 Q N -0.233 119.605 119.800 0.064 0.000 2.368 517 Q HA -0.136 4.199 4.340 -0.009 0.000 0.210 517 Q C 1.874 177.897 176.000 0.039 0.000 0.982 517 Q CA 0.219 56.061 55.803 0.065 0.000 0.884 517 Q CB -0.004 28.800 28.738 0.109 0.000 0.933 517 Q HN 0.194 nan 8.270 nan 0.000 0.460 518 L N 0.626 121.867 121.223 0.030 0.000 2.261 518 L HA -0.178 4.156 4.340 -0.009 0.000 0.216 518 L C 2.025 178.895 176.870 -0.000 0.000 1.114 518 L CA 1.516 56.339 54.840 -0.029 0.000 0.777 518 L CB -0.424 41.629 42.059 -0.010 0.000 0.910 518 L HN 0.123 nan 8.230 nan 0.000 0.440 519 R N -0.602 119.907 120.500 0.016 0.000 2.127 519 R HA -0.179 4.155 4.340 -0.009 0.000 0.238 519 R C 2.017 178.326 176.300 0.016 0.000 1.134 519 R CA 1.067 57.177 56.100 0.017 0.000 0.975 519 R CB -0.196 30.110 30.300 0.010 0.000 0.865 519 R HN 0.393 nan 8.270 nan 0.000 0.447 520 K N 0.577 120.986 120.400 0.016 0.000 2.281 520 K HA -0.121 4.194 4.320 -0.009 0.000 0.203 520 K C 1.803 178.444 176.600 0.069 0.000 1.046 520 K CA 0.891 57.193 56.287 0.026 0.000 0.938 520 K CB -0.093 32.429 32.500 0.037 0.000 0.737 520 K HN 0.236 nan 8.250 nan 0.000 0.458 521 L N 0.549 121.809 121.223 0.061 0.000 2.465 521 L HA -0.123 4.212 4.340 -0.009 0.000 0.224 521 L C 1.881 178.831 176.870 0.132 0.000 1.145 521 L CA -0.014 54.892 54.840 0.109 0.000 0.834 521 L CB -0.241 41.838 42.059 0.033 0.000 0.944 521 L HN 0.127 nan 8.230 nan 0.000 0.451 522 L N 0.111 121.370 121.223 0.060 0.000 2.191 522 L HA -0.165 4.170 4.340 -0.009 0.000 0.212 522 L C 2.545 179.405 176.870 -0.018 0.000 1.103 522 L CA 1.784 56.644 54.840 0.033 0.000 0.769 522 L CB -0.673 41.391 42.059 0.009 0.000 0.908 522 L HN 0.331 nan 8.230 nan 0.000 0.438 523 S N -3.021 112.612 115.700 -0.111 0.000 2.631 523 S HA 0.002 4.467 4.470 -0.009 0.000 0.217 523 S C 1.033 175.370 174.600 -0.439 0.000 0.958 523 S CA -0.034 58.005 58.200 -0.269 0.000 0.920 523 S CB -0.466 62.521 63.200 -0.356 0.000 0.776 523 S HN 0.422 nan 8.310 nan 0.000 0.517 524 Y N -0.419 119.832 120.300 -0.082 0.000 2.557 524 Y HA 0.414 4.962 4.550 -0.003 0.000 0.247 524 Y C 1.898 177.851 175.900 0.088 0.000 1.164 524 Y CA -0.687 57.367 58.100 -0.077 0.000 1.218 524 Y CB 0.183 38.410 38.460 -0.389 0.000 1.210 524 Y HN 0.271 nan 8.280 nan 0.000 0.529 525 V N 0.398 120.412 119.914 0.167 0.000 2.688 525 V HA -0.226 3.888 4.120 -0.009 0.000 0.256 525 V C 0.927 177.093 176.094 0.121 0.000 1.084 525 V CA 2.342 64.735 62.300 0.156 0.000 1.103 525 V CB 0.008 31.882 31.823 0.085 0.000 0.688 525 V HN 0.323 nan 8.190 nan 0.000 0.480 526 D N -0.859 119.594 120.400 0.087 0.000 2.398 526 D HA 0.127 4.761 4.640 -0.009 0.000 0.210 526 D C 0.334 176.686 176.300 0.086 0.000 1.094 526 D CA -0.009 54.030 54.000 0.066 0.000 0.839 526 D CB 0.072 40.887 40.800 0.026 0.000 0.963 526 D HN 0.448 nan 8.370 nan 0.000 0.506 527 D N 1.360 121.846 120.400 0.143 0.000 2.338 527 D HA -0.035 4.599 4.640 -0.009 0.000 0.255 527 D C 1.267 177.676 176.300 0.181 0.000 1.237 527 D CA 0.044 54.150 54.000 0.177 0.000 0.883 527 D CB 1.366 42.348 40.800 0.304 0.000 1.087 527 D HN -0.218 nan 8.370 nan 0.000 0.485 528 E N 3.432 123.703 120.200 0.119 0.000 2.153 528 E HA -0.150 4.194 4.350 -0.009 0.000 0.194 528 E C 1.650 178.308 176.600 0.096 0.000 0.988 528 E CA 1.487 57.941 56.400 0.090 0.000 0.811 528 E CB -0.066 29.669 29.700 0.059 0.000 0.746 528 E HN 0.559 nan 8.360 nan 0.000 0.466 529 A N -0.435 122.458 122.820 0.123 0.000 1.897 529 A HA -0.091 4.224 4.320 -0.009 0.000 0.215 529 A C 2.220 179.895 177.584 0.152 0.000 1.181 529 A CA 1.157 53.263 52.037 0.114 0.000 0.620 529 A CB -0.902 18.166 19.000 0.113 0.000 0.821 529 A HN 0.440 nan 8.150 nan 0.000 0.443 530 F N 0.379 120.345 119.950 0.027 0.000 2.146 530 F HA -0.131 4.392 4.527 -0.008 0.000 0.298 530 F C 2.067 177.875 175.800 0.014 0.000 1.096 530 F CA 1.454 59.454 58.000 -0.000 0.000 1.275 530 F CB -0.087 38.920 39.000 0.013 0.000 1.008 530 F HN 0.150 nan 8.300 nan 0.000 0.480 531 I N 0.205 120.819 120.570 0.073 0.000 2.151 531 I HA -0.378 3.786 4.170 -0.009 0.000 0.243 531 I C 2.568 178.638 176.117 -0.077 0.000 1.080 531 I CA 1.719 63.005 61.300 -0.023 0.000 1.339 531 I CB -0.468 37.561 38.000 0.047 0.000 1.039 531 I HN 0.114 nan 8.210 nan 0.000 0.409 532 R N 0.741 121.220 120.500 -0.036 0.000 2.092 532 R HA -0.174 4.160 4.340 -0.009 0.000 0.231 532 R C 1.870 178.123 176.300 -0.079 0.000 1.119 532 R CA 1.679 57.754 56.100 -0.042 0.000 0.970 532 R CB -0.073 30.221 30.300 -0.010 0.000 0.864 532 R HN 0.303 nan 8.270 nan 0.000 0.440 533 D N -0.366 119.966 120.400 -0.113 0.000 2.097 533 D HA -0.120 4.515 4.640 -0.009 0.000 0.197 533 D C 1.942 178.114 176.300 -0.213 0.000 0.984 533 D CA 1.290 55.207 54.000 -0.138 0.000 0.826 533 D CB -0.272 40.460 40.800 -0.113 0.000 0.973 533 D HN 0.053 nan 8.370 nan 0.000 0.460 534 V N 1.614 121.296 119.914 -0.386 0.000 2.282 534 V HA -0.279 3.835 4.120 -0.009 0.000 0.249 534 V C 2.514 178.514 176.094 -0.157 0.000 1.057 534 V CA 2.043 64.135 62.300 -0.347 0.000 1.032 534 V CB -0.839 30.709 31.823 -0.458 0.000 0.645 534 V HN 0.200 nan 8.190 nan 0.000 0.447 535 A N -0.841 121.908 122.820 -0.118 0.000 1.969 535 A HA -0.216 4.099 4.320 -0.009 0.000 0.218 535 A C 2.355 179.904 177.584 -0.058 0.000 1.169 535 A CA 1.906 53.908 52.037 -0.058 0.000 0.635 535 A CB -0.426 18.546 19.000 -0.048 0.000 0.810 535 A HN 0.524 nan 8.150 nan 0.000 0.445 536 K N -0.227 120.133 120.400 -0.066 0.000 2.057 536 K HA -0.051 4.263 4.320 -0.009 0.000 0.206 536 K C 1.807 178.383 176.600 -0.040 0.000 1.050 536 K CA 1.366 57.624 56.287 -0.049 0.000 0.935 536 K CB -0.195 32.279 32.500 -0.044 0.000 0.715 536 K HN 0.238 nan 8.250 nan 0.000 0.439 537 V N 1.747 121.632 119.914 -0.048 0.000 2.343 537 V HA -0.243 3.871 4.120 -0.009 0.000 0.247 537 V C 2.347 178.431 176.094 -0.016 0.000 1.051 537 V CA 1.937 64.219 62.300 -0.030 0.000 1.036 537 V CB -0.423 31.376 31.823 -0.040 0.000 0.654 537 V HN 0.335 nan 8.190 nan 0.000 0.451 538 K N 0.417 120.805 120.400 -0.019 0.000 2.057 538 K HA -0.234 4.081 4.320 -0.009 0.000 0.207 538 K C 2.146 178.728 176.600 -0.030 0.000 1.049 538 K CA 1.801 58.085 56.287 -0.006 0.000 0.931 538 K CB -0.487 32.023 32.500 0.018 0.000 0.714 538 K HN 0.372 nan 8.250 nan 0.000 0.440 539 Q N 0.984 120.758 119.800 -0.043 0.000 2.084 539 Q HA -0.100 4.235 4.340 -0.009 0.000 0.202 539 Q C 1.663 177.649 176.000 -0.024 0.000 0.978 539 Q CA 1.953 57.721 55.803 -0.058 0.000 0.844 539 Q CB -0.076 28.630 28.738 -0.054 0.000 0.898 539 Q HN 0.526 nan 8.270 nan 0.000 0.426 540 E N -0.524 119.673 120.200 -0.005 0.000 2.072 540 E HA -0.140 4.204 4.350 -0.009 0.000 0.191 540 E C 1.719 178.347 176.600 0.047 0.000 0.985 540 E CA 0.927 57.338 56.400 0.019 0.000 0.801 540 E CB -0.053 29.655 29.700 0.014 0.000 0.750 540 E HN 0.397 nan 8.360 nan 0.000 0.452 541 N N 0.999 119.725 118.700 0.044 0.000 2.166 541 N HA -0.133 4.601 4.740 -0.009 0.000 0.186 541 N C 1.467 177.065 175.510 0.146 0.000 1.019 541 N CA 1.033 54.130 53.050 0.079 0.000 0.856 541 N CB -0.050 38.469 38.487 0.053 0.000 0.993 541 N HN 0.149 nan 8.380 nan 0.000 0.426 542 K N 0.520 120.973 120.400 0.089 0.000 2.062 542 K HA 0.052 4.367 4.320 -0.009 0.000 0.205 542 K C 2.096 178.839 176.600 0.238 0.000 1.051 542 K CA 0.575 56.944 56.287 0.135 0.000 0.941 542 K CB -0.105 32.217 32.500 -0.297 0.000 0.719 542 K HN 0.095 nan 8.250 nan 0.000 0.440 543 L N 1.168 122.468 121.223 0.128 0.000 2.046 543 L HA -0.170 4.164 4.340 -0.009 0.000 0.208 543 L C 2.610 179.576 176.870 0.161 0.000 1.077 543 L CA 1.046 55.963 54.840 0.129 0.000 0.747 543 L CB -0.340 41.762 42.059 0.073 0.000 0.896 543 L HN 0.102 nan 8.230 nan 0.000 0.432 544 K N -0.034 120.466 120.400 0.168 0.000 2.057 544 K HA -0.218 4.097 4.320 -0.009 0.000 0.207 544 K C 2.154 178.911 176.600 0.261 0.000 1.049 544 K CA 1.721 58.115 56.287 0.178 0.000 0.931 544 K CB -0.280 32.311 32.500 0.151 0.000 0.714 544 K HN 0.145 nan 8.250 nan 0.000 0.440 545 F N 1.078 121.129 119.950 0.169 0.000 2.187 545 F HA 0.013 4.535 4.527 -0.009 0.000 0.295 545 F C 2.064 178.013 175.800 0.249 0.000 1.091 545 F CA 1.071 59.192 58.000 0.201 0.000 1.308 545 F CB -0.495 38.626 39.000 0.201 0.000 1.030 545 F HN 0.029 nan 8.300 nan 0.000 0.487 546 A N 0.290 123.246 122.820 0.228 0.000 1.978 546 A HA -0.078 4.236 4.320 -0.009 0.000 0.220 546 A C 2.376 179.967 177.584 0.013 0.000 1.170 546 A CA 1.824 53.928 52.037 0.110 0.000 0.636 546 A CB -1.428 17.718 19.000 0.244 0.000 0.810 546 A HN 0.468 nan 8.150 nan 0.000 0.448 547 A N -1.400 121.454 122.820 0.056 0.000 1.854 547 A HA -0.027 4.287 4.320 -0.009 0.000 0.214 547 A C 2.110 179.690 177.584 -0.006 0.000 1.192 547 A CA 1.444 53.497 52.037 0.028 0.000 0.611 547 A CB -0.924 18.113 19.000 0.061 0.000 0.832 547 A HN 0.752 nan 8.150 nan 0.000 0.442 548 Y N 0.059 120.299 120.300 -0.101 0.000 2.241 548 Y HA -0.207 4.337 4.550 -0.009 0.000 0.286 548 Y C 1.824 177.611 175.900 -0.188 0.000 1.166 548 Y CA 1.774 59.802 58.100 -0.120 0.000 1.203 548 Y CB -0.273 38.139 38.460 -0.080 0.000 0.977 548 Y HN 0.198 nan 8.280 nan 0.000 0.529 549 L N 0.482 121.586 121.223 -0.199 0.000 2.201 549 L HA -0.129 4.205 4.340 -0.009 0.000 0.212 549 L C 2.125 178.904 176.870 -0.151 0.000 1.105 549 L CA 1.747 56.455 54.840 -0.219 0.000 0.775 549 L CB -0.573 41.304 42.059 -0.305 0.000 0.913 549 L HN 0.327 nan 8.230 nan 0.000 0.440 550 E N -1.532 118.580 120.200 -0.147 0.000 2.127 550 E HA -0.088 4.256 4.350 -0.009 0.000 0.191 550 E C 2.158 178.669 176.600 -0.148 0.000 0.964 550 E CA 0.031 56.356 56.400 -0.125 0.000 0.832 550 E CB -0.044 29.585 29.700 -0.118 0.000 0.790 550 E HN 0.285 nan 8.360 nan 0.000 0.465 551 R N 1.083 121.478 120.500 -0.176 0.000 2.103 551 R HA -0.105 4.230 4.340 -0.009 0.000 0.242 551 R C 0.047 176.189 176.300 -0.263 0.000 1.142 551 R CA 1.094 57.082 56.100 -0.186 0.000 0.960 551 R CB 0.212 30.409 30.300 -0.173 0.000 0.858 551 R HN 0.067 nan 8.270 nan 0.000 0.439 552 E N -0.431 119.522 120.200 -0.412 0.000 2.165 552 E HA 0.127 4.472 4.350 -0.009 0.000 0.266 552 E C -0.751 175.628 176.600 -0.368 0.000 0.889 552 E CA -0.825 55.247 56.400 -0.546 0.000 0.756 552 E CB 1.096 30.294 29.700 -0.836 0.000 1.131 552 E HN 0.194 nan 8.360 nan 0.000 0.411 553 Y N 0.113 120.327 120.300 -0.142 0.000 4.928 553 Y HA -0.253 4.291 4.550 -0.009 0.000 0.272 553 Y C 0.082 175.939 175.900 -0.072 0.000 0.889 553 Y CA 0.359 58.410 58.100 -0.082 0.000 1.783 553 Y CB -1.612 36.808 38.460 -0.068 0.000 1.218 553 Y HN 0.507 nan 8.280 nan 0.000 0.500 554 K N -0.240 120.169 120.400 0.015 0.000 4.814 554 K HA -0.104 4.211 4.320 -0.009 0.000 0.295 554 K C 0.184 176.786 176.600 0.003 0.000 0.828 554 K CA 1.014 57.290 56.287 -0.018 0.000 0.895 554 K CB -1.396 31.096 32.500 -0.014 0.000 1.810 554 K HN 0.297 nan 8.250 nan 0.000 0.418 555 V N 0.719 120.621 119.914 -0.019 0.000 3.547 555 V HA 0.366 4.481 4.120 -0.009 0.000 0.289 555 V C 1.020 177.111 176.094 -0.005 0.000 1.226 555 V CA -0.648 61.656 62.300 0.005 0.000 0.966 555 V CB 1.445 33.264 31.823 -0.005 0.000 1.255 555 V HN 0.659 nan 8.190 nan 0.000 0.466 556 H N 0.856 119.911 119.070 -0.025 0.000 3.064 556 H HA 0.370 4.920 4.556 -0.009 0.000 0.232 556 H C -0.248 175.074 175.328 -0.010 0.000 1.308 556 H CA -0.441 55.598 56.048 -0.015 0.000 1.010 556 H CB 0.333 30.085 29.762 -0.017 0.000 2.408 556 H HN 0.577 nan 8.280 nan 0.000 0.599 557 I N -0.945 119.698 120.570 0.122 0.000 2.754 557 I HA 0.173 4.338 4.170 -0.009 0.000 0.285 557 I C 0.452 176.670 176.117 0.168 0.000 1.166 557 I CA -0.368 60.992 61.300 0.100 0.000 1.417 557 I CB 0.710 38.722 38.000 0.020 0.000 1.382 557 I HN 0.071 nan 8.210 nan 0.000 0.588 558 N N 5.975 124.779 118.700 0.173 0.000 2.485 558 N HA 0.377 5.111 4.740 -0.009 0.000 0.243 558 N C -1.973 173.683 175.510 0.245 0.000 0.987 558 N CA -2.379 50.775 53.050 0.173 0.000 0.940 558 N CB 1.259 39.812 38.487 0.109 0.000 1.122 558 N HN 0.344 nan 8.380 nan 0.000 0.509 559 P HA -0.129 nan 4.420 nan 0.000 0.219 559 P C 0.066 177.362 177.300 -0.007 0.000 1.144 559 P CA 1.330 64.512 63.100 0.137 0.000 0.806 559 P CB 0.112 31.870 31.700 0.095 0.000 0.771 560 N N -1.356 117.370 118.700 0.045 0.000 2.463 560 N HA -0.003 4.732 4.740 -0.009 0.000 0.181 560 N C 0.515 176.056 175.510 0.052 0.000 1.078 560 N CA -0.087 52.975 53.050 0.021 0.000 0.902 560 N CB 0.026 38.535 38.487 0.037 0.000 0.970 560 N HN 0.227 nan 8.380 nan 0.000 0.451 561 S N 0.461 116.211 115.700 0.083 0.000 2.624 561 S HA 0.203 4.668 4.470 -0.009 0.000 0.263 561 S C 0.014 174.606 174.600 -0.013 0.000 1.287 561 S CA -0.863 57.380 58.200 0.072 0.000 0.990 561 S CB 1.202 64.467 63.200 0.108 0.000 0.950 561 S HN 0.166 nan 8.310 nan 0.000 0.561 562 L N 1.731 122.810 121.223 -0.239 0.000 2.361 562 L HA 0.387 4.721 4.340 -0.009 0.000 0.278 562 L C -0.949 175.899 176.870 -0.037 0.000 1.113 562 L CA -0.621 53.865 54.840 -0.589 0.000 0.849 562 L CB -0.172 41.220 42.059 -1.111 0.000 1.155 562 L HN 0.702 nan 8.230 nan 0.000 0.452 563 F N 4.297 124.120 119.950 -0.211 0.000 2.439 563 F HA 0.087 4.610 4.527 -0.008 0.000 0.356 563 F C 0.478 176.209 175.800 -0.115 0.000 1.161 563 F CA -0.811 57.131 58.000 -0.096 0.000 1.151 563 F CB 0.517 39.511 39.000 -0.010 0.000 1.222 563 F HN 0.540 nan 8.300 nan 0.000 0.558 564 D N 4.950 125.356 120.400 0.010 0.000 2.396 564 D HA 0.226 4.861 4.640 -0.009 0.000 0.225 564 D C -0.971 175.270 176.300 -0.100 0.000 1.121 564 D CA 0.001 53.956 54.000 -0.075 0.000 0.853 564 D CB 1.290 42.031 40.800 -0.099 0.000 1.043 564 D HN 0.266 nan 8.370 nan 0.000 0.500 565 V N 2.823 122.659 119.914 -0.130 0.000 2.735 565 V HA 0.589 4.704 4.120 -0.009 0.000 0.310 565 V C -1.420 174.525 176.094 -0.249 0.000 1.061 565 V CA -0.676 61.529 62.300 -0.157 0.000 0.913 565 V CB 1.964 33.746 31.823 -0.069 0.000 1.005 565 V HN 0.520 nan 8.190 nan 0.000 0.428 566 Q N 4.223 123.891 119.800 -0.221 0.000 2.397 566 Q HA 0.653 4.987 4.340 -0.009 0.000 0.260 566 Q C -1.570 174.263 176.000 -0.278 0.000 1.002 566 Q CA -0.628 55.031 55.803 -0.240 0.000 0.716 566 Q CB 1.914 30.535 28.738 -0.195 0.000 1.258 566 Q HN 1.151 nan 8.270 nan 0.000 0.477 567 V N 1.965 121.703 119.914 -0.293 0.000 2.444 567 V HA 0.862 4.976 4.120 -0.009 0.000 0.294 567 V C -0.836 174.976 176.094 -0.470 0.000 1.022 567 V CA -0.543 61.388 62.300 -0.614 0.000 0.850 567 V CB 1.276 32.486 31.823 -1.021 0.000 0.992 567 V HN 0.807 nan 8.190 nan 0.000 0.426 568 K N 2.601 122.767 120.400 -0.390 0.000 2.999 568 K HA 0.420 4.734 4.320 -0.009 0.000 0.295 568 K C -1.306 175.289 176.600 -0.008 0.000 1.082 568 K CA -1.100 55.143 56.287 -0.074 0.000 0.816 568 K CB 0.982 33.439 32.500 -0.071 0.000 1.492 568 K HN 0.462 nan 8.250 nan 0.000 0.362 569 R N 0.837 121.396 120.500 0.098 0.000 2.679 569 R HA 0.195 4.529 4.340 -0.009 0.000 0.268 569 R C 0.391 176.708 176.300 0.028 0.000 1.044 569 R CA -0.367 55.800 56.100 0.112 0.000 1.105 569 R CB -0.155 30.262 30.300 0.195 0.000 0.989 569 R HN 0.471 nan 8.270 nan 0.000 0.447 570 I N 4.415 124.971 120.570 -0.023 0.000 2.452 570 I HA 0.082 4.247 4.170 -0.009 0.000 0.287 570 I C 0.727 176.710 176.117 -0.223 0.000 1.079 570 I CA 0.655 61.889 61.300 -0.110 0.000 1.387 570 I CB -0.269 37.661 38.000 -0.115 0.000 1.404 570 I HN 0.270 nan 8.210 nan 0.000 0.522 571 H N 4.474 123.449 119.070 -0.158 0.000 3.012 571 H HA 0.240 4.791 4.556 -0.009 0.000 0.367 571 H C 0.417 175.628 175.328 -0.196 0.000 1.211 571 H CA -0.472 55.519 56.048 -0.094 0.000 1.139 571 H CB 2.063 31.679 29.762 -0.244 0.000 1.838 571 H HN 0.523 nan 8.280 nan 0.000 0.550 572 E N 1.239 121.512 120.200 0.122 0.000 2.150 572 E HA -0.178 4.167 4.350 -0.009 0.000 0.193 572 E C 1.317 177.618 176.600 -0.499 0.000 0.985 572 E CA 1.167 57.546 56.400 -0.035 0.000 0.814 572 E CB 0.104 29.983 29.700 0.298 0.000 0.752 572 E HN 0.538 nan 8.360 nan 0.000 0.466 573 Y N 0.808 120.551 120.300 -0.928 0.000 2.439 573 Y HA 0.047 4.592 4.550 -0.009 0.000 0.292 573 Y C 1.588 177.201 175.900 -0.477 0.000 1.130 573 Y CA 0.588 57.952 58.100 -1.226 0.000 1.254 573 Y CB 0.076 37.887 38.460 -1.082 0.000 1.000 573 Y HN -0.229 nan 8.280 nan 0.000 0.554 574 K N 1.088 121.005 120.400 -0.805 0.000 2.366 574 K HA 0.012 4.327 4.320 -0.009 0.000 0.198 574 K C 0.253 176.670 176.600 -0.306 0.000 1.044 574 K CA 0.742 56.681 56.287 -0.580 0.000 0.973 574 K CB -0.200 31.997 32.500 -0.505 0.000 0.767 574 K HN 0.448 nan 8.250 nan 0.000 0.475 575 R N 0.856 121.199 120.500 -0.262 0.000 3.336 575 R HA -0.190 4.144 4.340 -0.009 0.000 0.260 575 R C 0.489 176.696 176.300 -0.154 0.000 1.032 575 R CA 0.255 56.254 56.100 -0.170 0.000 0.693 575 R CB -1.845 28.373 30.300 -0.137 0.000 1.134 575 R HN 0.248 nan 8.270 nan 0.000 0.433 576 Q N 0.292 120.002 119.800 -0.150 0.000 2.297 576 Q HA -0.042 4.292 4.340 -0.009 0.000 0.208 576 Q C 2.015 177.953 176.000 -0.104 0.000 0.981 576 Q CA 1.329 57.057 55.803 -0.126 0.000 0.876 576 Q CB 0.040 28.709 28.738 -0.114 0.000 0.921 576 Q HN 0.585 nan 8.270 nan 0.000 0.446 577 L N -0.655 120.509 121.223 -0.099 0.000 2.141 577 L HA -0.162 4.172 4.340 -0.009 0.000 0.209 577 L C 1.946 178.798 176.870 -0.029 0.000 1.094 577 L CA 0.496 55.292 54.840 -0.073 0.000 0.763 577 L CB -0.296 41.728 42.059 -0.058 0.000 0.908 577 L HN 0.309 nan 8.230 nan 0.000 0.437 578 L N -0.122 121.066 121.223 -0.058 0.000 2.141 578 L HA -0.207 4.128 4.340 -0.009 0.000 0.209 578 L C 1.955 178.811 176.870 -0.023 0.000 1.094 578 L CA 1.791 56.591 54.840 -0.067 0.000 0.763 578 L CB -0.769 41.138 42.059 -0.254 0.000 0.908 578 L HN 0.273 nan 8.230 nan 0.000 0.437 579 N N -1.805 116.870 118.700 -0.042 0.000 2.142 579 N HA -0.208 4.526 4.740 -0.009 0.000 0.186 579 N C 1.937 177.512 175.510 0.109 0.000 1.023 579 N CA 1.427 54.536 53.050 0.099 0.000 0.852 579 N CB -0.116 38.374 38.487 0.004 0.000 0.998 579 N HN 0.469 nan 8.380 nan 0.000 0.424 580 C N 0.658 119.961 119.300 0.006 0.000 2.413 580 C HA -0.079 4.375 4.460 -0.009 0.000 0.276 580 C C 2.577 177.557 174.990 -0.016 0.000 1.248 580 C CA 0.420 59.403 59.018 -0.059 0.000 1.742 580 C CB -1.266 26.387 27.740 -0.145 0.000 2.017 580 C HN 0.514 nan 8.230 nan 0.000 0.481 581 L N -0.339 120.935 121.223 0.084 0.000 2.083 581 L HA -0.200 4.135 4.340 -0.009 0.000 0.209 581 L C 2.758 179.770 176.870 0.237 0.000 1.083 581 L CA 1.756 56.704 54.840 0.179 0.000 0.752 581 L CB -1.005 41.255 42.059 0.336 0.000 0.899 581 L HN 0.598 nan 8.230 nan 0.000 0.433 582 H N -0.176 118.983 119.070 0.149 0.000 2.357 582 H HA -0.111 4.439 4.556 -0.009 0.000 0.301 582 H C 2.206 177.522 175.328 -0.019 0.000 1.082 582 H CA 1.660 57.724 56.048 0.026 0.000 1.342 582 H CB 0.388 30.124 29.762 -0.044 0.000 1.389 582 H HN 0.105 nan 8.280 nan 0.000 0.511 583 V N 1.555 121.395 119.914 -0.123 0.000 2.343 583 V HA -0.259 3.856 4.120 -0.009 0.000 0.247 583 V C 2.790 178.817 176.094 -0.112 0.000 1.051 583 V CA 1.759 63.953 62.300 -0.177 0.000 1.036 583 V CB -0.461 31.299 31.823 -0.105 0.000 0.654 583 V HN 0.393 nan 8.190 nan 0.000 0.451 584 I N -0.284 120.249 120.570 -0.062 0.000 2.394 584 I HA -0.189 3.975 4.170 -0.009 0.000 0.251 584 I C 2.473 178.636 176.117 0.077 0.000 1.136 584 I CA 1.515 62.838 61.300 0.037 0.000 1.425 584 I CB -0.609 37.386 38.000 -0.010 0.000 1.079 584 I HN 0.318 nan 8.210 nan 0.000 0.425 585 T N 1.220 115.775 114.554 0.001 0.000 2.737 585 T HA -0.133 4.211 4.350 -0.009 0.000 0.265 585 T C 1.898 176.541 174.700 -0.095 0.000 1.038 585 T CA 1.151 63.242 62.100 -0.015 0.000 1.144 585 T CB -0.253 68.624 68.868 0.016 0.000 0.866 585 T HN 0.078 nan 8.240 nan 0.000 0.434 586 L N 0.226 121.315 121.223 -0.223 0.000 2.042 586 L HA -0.056 4.278 4.340 -0.009 0.000 0.210 586 L C 2.089 178.907 176.870 -0.087 0.000 1.076 586 L CA 1.617 56.325 54.840 -0.221 0.000 0.749 586 L CB -0.920 40.933 42.059 -0.344 0.000 0.893 586 L HN 0.373 nan 8.230 nan 0.000 0.432 587 Y N 0.150 120.375 120.300 -0.125 0.000 2.145 587 Y HA -0.286 4.259 4.550 -0.009 0.000 0.286 587 Y C 2.415 178.287 175.900 -0.046 0.000 1.145 587 Y CA 1.855 59.922 58.100 -0.055 0.000 1.148 587 Y CB -0.109 38.359 38.460 0.014 0.000 0.981 587 Y HN 0.271 nan 8.280 nan 0.000 0.507 588 N N 0.483 119.113 118.700 -0.117 0.000 2.289 588 N HA -0.137 4.598 4.740 -0.009 0.000 0.184 588 N C 1.728 177.118 175.510 -0.200 0.000 1.016 588 N CA 1.384 54.309 53.050 -0.208 0.000 0.872 588 N CB -0.315 38.120 38.487 -0.088 0.000 0.973 588 N HN 0.476 nan 8.380 nan 0.000 0.433 589 R N 0.188 120.595 120.500 -0.155 0.000 2.115 589 R HA 0.154 4.488 4.340 -0.009 0.000 0.226 589 R C 2.128 178.338 176.300 -0.150 0.000 1.100 589 R CA 0.529 56.550 56.100 -0.131 0.000 0.980 589 R CB -0.083 30.151 30.300 -0.109 0.000 0.875 589 R HN 0.224 nan 8.270 nan 0.000 0.445 590 I N 0.928 121.385 120.570 -0.189 0.000 2.202 590 I HA -0.243 3.921 4.170 -0.009 0.000 0.242 590 I C 2.026 178.024 176.117 -0.200 0.000 1.091 590 I CA 1.145 62.338 61.300 -0.179 0.000 1.368 590 I CB -0.131 37.765 38.000 -0.174 0.000 1.058 590 I HN 0.013 nan 8.210 nan 0.000 0.410 591 K N 0.844 121.059 120.400 -0.309 0.000 2.147 591 K HA -0.202 4.113 4.320 -0.009 0.000 0.205 591 K C 2.027 178.529 176.600 -0.163 0.000 1.049 591 K CA 1.103 57.229 56.287 -0.269 0.000 0.936 591 K CB -0.276 31.987 32.500 -0.396 0.000 0.722 591 K HN 0.134 nan 8.250 nan 0.000 0.446 592 K N 1.748 122.057 120.400 -0.151 0.000 2.062 592 K HA -0.077 4.237 4.320 -0.009 0.000 0.205 592 K C 0.133 176.687 176.600 -0.077 0.000 1.051 592 K CA 1.320 57.546 56.287 -0.101 0.000 0.941 592 K CB 0.285 32.729 32.500 -0.094 0.000 0.719 592 K HN 0.058 nan 8.250 nan 0.000 0.440 593 E N 0.224 120.376 120.200 -0.080 0.000 3.108 593 E HA 0.166 4.510 4.350 -0.009 0.000 0.228 593 E C -2.305 174.260 176.600 -0.058 0.000 1.176 593 E CA -1.696 54.669 56.400 -0.057 0.000 0.881 593 E CB 1.578 31.250 29.700 -0.046 0.000 1.354 593 E HN 0.090 nan 8.360 nan 0.000 0.400 594 P HA -0.184 nan 4.420 nan 0.000 0.215 594 P C 0.230 177.513 177.300 -0.028 0.000 1.157 594 P CA 1.325 64.395 63.100 -0.051 0.000 0.874 594 P CB 0.179 31.854 31.700 -0.042 0.000 0.790 595 N N -1.153 117.539 118.700 -0.013 0.000 2.322 595 N HA 0.019 4.754 4.740 -0.009 0.000 0.216 595 N C 0.389 175.916 175.510 0.028 0.000 1.144 595 N CA 0.032 53.088 53.050 0.009 0.000 0.830 595 N CB -0.100 38.392 38.487 0.008 0.000 1.034 595 N HN 0.076 nan 8.380 nan 0.000 0.484 596 K N 0.919 121.330 120.400 0.018 0.000 2.110 596 K HA 0.184 4.499 4.320 -0.009 0.000 0.263 596 K C -0.978 175.667 176.600 0.076 0.000 0.975 596 K CA -0.607 55.705 56.287 0.042 0.000 0.895 596 K CB 0.705 33.208 32.500 0.005 0.000 1.060 596 K HN -0.039 nan 8.250 nan 0.000 0.448 597 F N 4.338 124.273 119.950 -0.025 0.000 2.427 597 F HA 0.247 4.769 4.527 -0.010 0.000 0.352 597 F C -0.434 175.351 175.800 -0.025 0.000 1.100 597 F CA -0.248 57.738 58.000 -0.023 0.000 1.191 597 F CB 0.691 39.680 39.000 -0.018 0.000 1.128 597 F HN 0.186 nan 8.300 nan 0.000 0.533 598 V N 4.434 123.823 119.914 -0.875 0.000 2.789 598 V HA 0.590 4.705 4.120 -0.009 0.000 0.311 598 V C -0.865 174.650 176.094 -0.965 0.000 1.073 598 V CA -1.141 60.761 62.300 -0.665 0.000 0.921 598 V CB 1.045 32.659 31.823 -0.348 0.000 1.009 598 V HN 0.551 nan 8.190 nan 0.000 0.426 599 V N 4.815 124.393 119.914 -0.559 0.000 2.529 599 V HA 0.221 4.335 4.120 -0.009 0.000 0.292 599 V C -1.896 174.036 176.094 -0.270 0.000 1.028 599 V CA -0.631 61.461 62.300 -0.347 0.000 1.074 599 V CB 0.601 32.357 31.823 -0.112 0.000 0.958 599 V HN 0.900 nan 8.190 nan 0.000 0.481 600 P HA 0.314 nan 4.420 nan 0.000 0.267 600 P C -0.517 176.712 177.300 -0.118 0.000 1.205 600 P CA 0.091 63.117 63.100 -0.123 0.000 0.765 600 P CB 0.451 32.127 31.700 -0.040 0.000 0.828 601 R N 1.402 121.840 120.500 -0.103 0.000 2.673 601 R HA 0.579 4.913 4.340 -0.009 0.000 0.281 601 R C -0.841 175.431 176.300 -0.046 0.000 0.991 601 R CA -0.635 55.406 56.100 -0.098 0.000 0.896 601 R CB 1.911 32.130 30.300 -0.135 0.000 1.201 601 R HN 0.244 nan 8.270 nan 0.000 0.457 602 T N 1.876 116.424 114.554 -0.010 0.000 2.842 602 T HA 0.175 4.520 4.350 -0.009 0.000 0.308 602 T C -0.839 173.799 174.700 -0.104 0.000 1.041 602 T CA -0.475 61.589 62.100 -0.060 0.000 0.964 602 T CB 1.218 70.019 68.868 -0.112 0.000 0.972 602 T HN 0.278 nan 8.240 nan 0.000 0.460 603 V N 6.454 126.309 119.914 -0.099 0.000 2.406 603 V HA 0.605 4.720 4.120 -0.009 0.000 0.272 603 V C -0.514 175.511 176.094 -0.116 0.000 1.043 603 V CA -0.512 61.728 62.300 -0.099 0.000 0.915 603 V CB 0.526 32.304 31.823 -0.074 0.000 0.988 603 V HN 0.861 nan 8.190 nan 0.000 0.466 604 M N 8.114 127.632 119.600 -0.136 0.000 2.181 604 M HA 0.580 5.054 4.480 -0.009 0.000 0.323 604 M C -1.011 175.180 176.300 -0.182 0.000 1.004 604 M CA -0.198 55.012 55.300 -0.151 0.000 0.941 604 M CB 1.873 34.384 32.600 -0.150 0.000 1.579 604 M HN 0.456 nan 8.290 nan 0.000 0.427 605 I N 2.042 122.483 120.570 -0.215 0.000 2.436 605 I HA 0.813 4.978 4.170 -0.009 0.000 0.289 605 I C 0.096 175.874 176.117 -0.565 0.000 1.010 605 I CA -0.605 60.533 61.300 -0.269 0.000 1.098 605 I CB 2.249 40.175 38.000 -0.123 0.000 1.266 605 I HN 0.803 nan 8.210 nan 0.000 0.434 606 G N 3.067 111.500 108.800 -0.611 0.000 2.690 606 G HA2 0.834 4.788 3.960 -0.009 0.000 0.293 606 G HA3 0.834 4.788 3.960 -0.009 0.000 0.293 606 G C -1.021 173.566 174.900 -0.522 0.000 1.399 606 G CA -0.755 43.832 45.100 -0.855 0.000 0.890 606 G HN 0.974 nan 8.290 nan 0.000 0.485 607 G N -0.372 108.270 108.800 -0.262 0.000 2.352 607 G HA2 0.421 4.375 3.960 -0.009 0.000 0.305 607 G HA3 0.421 4.375 3.960 -0.009 0.000 0.305 607 G C -1.332 173.691 174.900 0.206 0.000 1.537 607 G CA -1.030 44.090 45.100 0.033 0.000 0.959 607 G HN 0.612 nan 8.290 nan 0.000 0.668 608 K N -0.145 120.376 120.400 0.201 0.000 2.110 608 K HA 0.772 5.087 4.320 -0.009 0.000 0.263 608 K C 0.208 176.930 176.600 0.202 0.000 0.975 608 K CA -0.274 56.153 56.287 0.234 0.000 0.895 608 K CB 2.147 34.703 32.500 0.094 0.000 1.060 608 K HN 0.867 nan 8.250 nan 0.000 0.448 609 A N 1.218 124.189 122.820 0.252 0.000 2.325 609 A HA 0.671 4.985 4.320 -0.009 0.000 0.333 609 A C -0.565 177.173 177.584 0.257 0.000 1.155 609 A CA -0.748 51.367 52.037 0.129 0.000 0.814 609 A CB 1.108 20.108 19.000 0.001 0.000 1.206 609 A HN 0.765 nan 8.150 nan 0.000 0.482 610 A N 2.946 125.894 122.820 0.214 0.000 2.477 610 A HA 0.515 4.829 4.320 -0.009 0.000 0.246 610 A C -1.447 176.213 177.584 0.126 0.000 1.078 610 A CA -1.009 51.167 52.037 0.232 0.000 0.770 610 A CB -0.355 18.755 19.000 0.185 0.000 1.011 610 A HN 0.587 nan 8.150 nan 0.000 0.494 611 P HA -0.182 nan 4.420 nan 0.000 0.218 611 P C 1.323 178.614 177.300 -0.015 0.000 1.154 611 P CA 2.158 65.204 63.100 -0.090 0.000 0.872 611 P CB 0.210 31.813 31.700 -0.162 0.000 0.790 612 G N -3.140 105.672 108.800 0.019 0.000 3.189 612 G HA2 -0.080 3.875 3.960 -0.009 0.000 0.225 612 G HA3 -0.080 3.875 3.960 -0.009 0.000 0.225 612 G C -0.192 174.744 174.900 0.060 0.000 1.159 612 G CA -0.147 44.966 45.100 0.023 0.000 0.763 612 G HN 0.316 nan 8.290 nan 0.000 0.549 613 Y N 1.712 121.961 120.300 -0.085 0.000 2.691 613 Y HA 0.175 4.720 4.550 -0.009 0.000 0.338 613 Y C 1.659 177.550 175.900 -0.015 0.000 1.148 613 Y CA -1.076 56.964 58.100 -0.099 0.000 1.430 613 Y CB 0.059 38.432 38.460 -0.145 0.000 1.303 613 Y HN 0.309 nan 8.280 nan 0.000 0.499 614 H N 3.903 123.099 119.070 0.209 0.000 2.319 614 H HA -0.238 4.312 4.556 -0.009 0.000 0.297 614 H C 1.812 177.175 175.328 0.058 0.000 1.097 614 H CA 2.434 58.548 56.048 0.110 0.000 1.285 614 H CB 0.334 30.157 29.762 0.101 0.000 1.368 614 H HN 0.712 nan 8.280 nan 0.000 0.495 615 M N 0.976 120.607 119.600 0.052 0.000 2.117 615 M HA -0.078 4.397 4.480 -0.009 0.000 0.262 615 M C 2.544 178.606 176.300 -0.396 0.000 1.065 615 M CA 1.845 57.083 55.300 -0.104 0.000 1.114 615 M CB -0.731 31.954 32.600 0.142 0.000 1.361 615 M HN 0.335 nan 8.290 nan 0.000 0.408 616 A N -0.511 121.797 122.820 -0.852 0.000 1.933 616 A HA -0.176 4.138 4.320 -0.009 0.000 0.218 616 A C 2.195 179.550 177.584 -0.382 0.000 1.175 616 A CA 1.751 53.307 52.037 -0.801 0.000 0.628 616 A CB -0.628 17.641 19.000 -1.217 0.000 0.814 616 A HN 0.581 nan 8.150 nan 0.000 0.444 617 K N -1.122 119.109 120.400 -0.282 0.000 2.217 617 K HA 0.005 4.319 4.320 -0.009 0.000 0.202 617 K C 1.829 178.365 176.600 -0.107 0.000 1.051 617 K CA 0.995 57.207 56.287 -0.126 0.000 0.952 617 K CB -0.166 32.317 32.500 -0.029 0.000 0.736 617 K HN 0.353 nan 8.250 nan 0.000 0.453 618 M N 0.485 119.974 119.600 -0.185 0.000 2.254 618 M HA -0.057 4.417 4.480 -0.009 0.000 0.265 618 M C 2.079 178.303 176.300 -0.128 0.000 1.066 618 M CA 1.343 56.584 55.300 -0.100 0.000 1.123 618 M CB -0.535 32.003 32.600 -0.103 0.000 1.388 618 M HN 0.118 nan 8.290 nan 0.000 0.425 619 I N -0.143 120.316 120.570 -0.185 0.000 2.252 619 I HA -0.292 3.872 4.170 -0.009 0.000 0.245 619 I C 2.284 178.265 176.117 -0.228 0.000 1.102 619 I CA 1.036 62.215 61.300 -0.201 0.000 1.385 619 I CB -0.294 37.590 38.000 -0.193 0.000 1.064 619 I HN 0.167 nan 8.210 nan 0.000 0.414 620 I N 0.759 121.182 120.570 -0.245 0.000 2.226 620 I HA -0.310 3.854 4.170 -0.009 0.000 0.245 620 I C 2.598 178.427 176.117 -0.480 0.000 1.100 620 I CA 1.282 62.354 61.300 -0.380 0.000 1.374 620 I CB -0.296 37.464 38.000 -0.400 0.000 1.057 620 I HN 0.163 nan 8.210 nan 0.000 0.413 621 K N 1.491 121.620 120.400 -0.451 0.000 2.097 621 K HA -0.139 4.176 4.320 -0.009 0.000 0.206 621 K C 2.028 178.441 176.600 -0.312 0.000 1.049 621 K CA 1.439 57.380 56.287 -0.577 0.000 0.933 621 K CB -0.535 31.360 32.500 -1.008 0.000 0.717 621 K HN 0.229 nan 8.250 nan 0.000 0.442 622 L N 0.397 121.450 121.223 -0.283 0.000 2.046 622 L HA -0.152 4.182 4.340 -0.009 0.000 0.208 622 L C 2.172 178.793 176.870 -0.416 0.000 1.077 622 L CA 1.656 56.164 54.840 -0.552 0.000 0.747 622 L CB -0.299 41.345 42.059 -0.692 0.000 0.896 622 L HN 0.270 nan 8.230 nan 0.000 0.432 623 I N -0.068 120.313 120.570 -0.315 0.000 2.163 623 I HA -0.347 3.818 4.170 -0.009 0.000 0.243 623 I C 2.600 178.608 176.117 -0.182 0.000 1.085 623 I CA 2.028 63.201 61.300 -0.211 0.000 1.347 623 I CB -0.519 37.439 38.000 -0.071 0.000 1.044 623 I HN 0.434 nan 8.210 nan 0.000 0.408 624 T N -1.107 113.306 114.554 -0.235 0.000 2.904 624 T HA -0.007 4.338 4.350 -0.009 0.000 0.267 624 T C 1.932 176.564 174.700 -0.114 0.000 1.059 624 T CA 0.826 62.821 62.100 -0.175 0.000 1.137 624 T CB -0.362 68.351 68.868 -0.258 0.000 0.879 624 T HN 0.335 nan 8.240 nan 0.000 0.467 625 A N 1.398 124.146 122.820 -0.121 0.000 1.969 625 A HA 0.201 4.515 4.320 -0.009 0.000 0.218 625 A C 2.343 179.943 177.584 0.027 0.000 1.169 625 A CA 1.027 53.067 52.037 0.006 0.000 0.635 625 A CB -0.739 18.356 19.000 0.159 0.000 0.810 625 A HN 0.594 nan 8.150 nan 0.000 0.445 626 I N -0.480 119.997 120.570 -0.155 0.000 2.353 626 I HA -0.148 4.016 4.170 -0.009 0.000 0.248 626 I C 2.637 178.713 176.117 -0.068 0.000 1.119 626 I CA 1.011 62.189 61.300 -0.204 0.000 1.417 626 I CB -0.508 37.255 38.000 -0.395 0.000 1.078 626 I HN 0.394 nan 8.210 nan 0.000 0.421 627 G N 0.401 109.162 108.800 -0.065 0.000 2.422 627 G HA2 -0.217 3.737 3.960 -0.009 0.000 0.218 627 G HA3 -0.217 3.737 3.960 -0.009 0.000 0.218 627 G C 1.183 176.099 174.900 0.027 0.000 1.140 627 G CA 0.688 45.766 45.100 -0.037 0.000 0.775 627 G HN 0.277 nan 8.290 nan 0.000 0.545 628 D N 0.011 120.459 120.400 0.080 0.000 2.219 628 D HA -0.045 4.589 4.640 -0.009 0.000 0.205 628 D C 2.634 179.063 176.300 0.215 0.000 0.970 628 D CA 0.437 54.545 54.000 0.180 0.000 0.851 628 D CB 0.040 40.891 40.800 0.085 0.000 0.943 628 D HN 0.263 nan 8.370 nan 0.000 0.488 629 V N 0.024 120.007 119.914 0.115 0.000 2.341 629 V HA -0.112 4.002 4.120 -0.009 0.000 0.240 629 V C 2.565 178.643 176.094 -0.027 0.000 1.035 629 V CA 0.624 62.948 62.300 0.040 0.000 1.033 629 V CB -0.318 31.534 31.823 0.047 0.000 0.678 629 V HN 0.009 nan 8.190 nan 0.000 0.464 630 V N 1.192 121.025 119.914 -0.136 0.000 2.287 630 V HA -0.231 3.883 4.120 -0.009 0.000 0.248 630 V C 2.163 178.221 176.094 -0.059 0.000 1.053 630 V CA 2.120 64.324 62.300 -0.160 0.000 1.027 630 V CB -0.891 30.828 31.823 -0.174 0.000 0.646 630 V HN 0.579 nan 8.190 nan 0.000 0.447 631 N N -0.309 118.313 118.700 -0.130 0.000 2.512 631 N HA -0.092 4.643 4.740 -0.009 0.000 0.183 631 N C 1.041 176.267 175.510 -0.474 0.000 1.073 631 N CA 0.895 53.766 53.050 -0.298 0.000 0.911 631 N CB -0.258 37.991 38.487 -0.398 0.000 0.964 631 N HN 0.691 nan 8.380 nan 0.000 0.447 632 H N -1.353 117.719 119.070 0.003 0.000 2.581 632 H HA 0.220 4.771 4.556 -0.009 0.000 0.275 632 H C -0.630 174.711 175.328 0.022 0.000 1.126 632 H CA -0.497 55.554 56.048 0.005 0.000 1.097 632 H CB 0.550 30.310 29.762 -0.004 0.000 1.626 632 H HN -0.022 nan 8.280 nan 0.000 0.565 633 D N 1.461 121.928 120.400 0.112 0.000 2.359 633 D HA 0.076 4.710 4.640 -0.009 0.000 0.230 633 D C -1.681 174.668 176.300 0.082 0.000 1.118 633 D CA -2.056 52.024 54.000 0.134 0.000 0.844 633 D CB 1.803 42.757 40.800 0.257 0.000 1.059 633 D HN 0.079 nan 8.370 nan 0.000 0.493 634 P HA -0.146 nan 4.420 nan 0.000 0.216 634 P C 1.514 178.827 177.300 0.021 0.000 1.150 634 P CA 0.563 63.681 63.100 0.030 0.000 0.843 634 P CB 0.434 32.150 31.700 0.027 0.000 0.787 635 V N -0.993 118.937 119.914 0.027 0.000 2.515 635 V HA -0.157 3.958 4.120 -0.009 0.000 0.250 635 V C 2.379 178.473 176.094 -0.000 0.000 1.058 635 V CA 1.432 63.735 62.300 0.005 0.000 1.064 635 V CB -1.039 30.777 31.823 -0.011 0.000 0.675 635 V HN -0.008 nan 8.190 nan 0.000 0.461 636 V N -0.084 119.846 119.914 0.028 0.000 2.323 636 V HA 0.134 4.249 4.120 -0.009 0.000 0.244 636 V C 1.801 177.893 176.094 -0.003 0.000 1.041 636 V CA 1.704 64.019 62.300 0.025 0.000 1.025 636 V CB -1.191 30.691 31.823 0.099 0.000 0.656 636 V HN 0.741 nan 8.190 nan 0.000 0.451 637 G N 1.440 110.236 108.800 -0.007 0.000 2.527 637 G HA2 -0.355 3.599 3.960 -0.009 0.000 0.268 637 G HA3 -0.355 3.599 3.960 -0.009 0.000 0.268 637 G C 0.205 175.079 174.900 -0.044 0.000 1.175 637 G CA 0.444 45.527 45.100 -0.028 0.000 0.962 637 G HN 0.696 nan 8.290 nan 0.000 0.560 638 D N 0.280 120.655 120.400 -0.041 0.000 2.358 638 D HA 0.237 4.872 4.640 -0.009 0.000 0.224 638 D C 1.832 178.114 176.300 -0.030 0.000 1.123 638 D CA 0.174 54.150 54.000 -0.039 0.000 0.833 638 D CB -0.015 40.769 40.800 -0.027 0.000 0.946 638 D HN 0.600 nan 8.370 nan 0.000 0.505 639 R N -0.734 119.740 120.500 -0.042 0.000 2.161 639 R HA 0.262 4.597 4.340 -0.009 0.000 0.213 639 R C -0.055 176.202 176.300 -0.071 0.000 1.055 639 R CA 0.268 56.326 56.100 -0.070 0.000 0.996 639 R CB 0.245 30.488 30.300 -0.094 0.000 0.901 639 R HN 0.120 nan 8.270 nan 0.000 0.456 640 L N 0.644 121.840 121.223 -0.046 0.000 2.516 640 L HA 0.413 4.748 4.340 -0.009 0.000 0.267 640 L C -1.653 175.193 176.870 -0.039 0.000 0.957 640 L CA -0.573 54.241 54.840 -0.043 0.000 0.860 640 L CB 1.746 43.791 42.059 -0.023 0.000 1.265 640 L HN -0.156 nan 8.230 nan 0.000 0.403 641 R N 3.798 124.267 120.500 -0.052 0.000 2.686 641 R HA 0.766 5.101 4.340 -0.009 0.000 0.286 641 R C -1.537 174.719 176.300 -0.072 0.000 0.969 641 R CA -0.812 55.250 56.100 -0.063 0.000 0.898 641 R CB 2.368 32.634 30.300 -0.057 0.000 1.183 641 R HN 0.393 nan 8.270 nan 0.000 0.456 642 V N 4.813 124.683 119.914 -0.074 0.000 2.349 642 V HA 0.408 4.523 4.120 -0.009 0.000 0.284 642 V C -0.385 175.679 176.094 -0.050 0.000 1.014 642 V CA -0.676 61.583 62.300 -0.069 0.000 0.826 642 V CB 1.375 33.152 31.823 -0.077 0.000 1.009 642 V HN 0.500 nan 8.190 nan 0.000 0.431 643 I N 4.827 125.366 120.570 -0.051 0.000 2.474 643 I HA 0.471 4.635 4.170 -0.009 0.000 0.294 643 I C -0.624 175.489 176.117 -0.007 0.000 1.005 643 I CA -0.583 60.700 61.300 -0.029 0.000 1.113 643 I CB 1.802 39.767 38.000 -0.058 0.000 1.289 643 I HN 0.528 nan 8.210 nan 0.000 0.436 644 F N 6.996 126.888 119.950 -0.096 0.000 2.361 644 F HA 0.494 5.015 4.527 -0.009 0.000 0.364 644 F C -0.709 175.035 175.800 -0.094 0.000 1.117 644 F CA -0.836 57.105 58.000 -0.097 0.000 1.071 644 F CB 0.640 39.579 39.000 -0.102 0.000 1.188 644 F HN 0.111 nan 8.300 nan 0.000 0.464 645 L N 5.750 126.633 121.223 -0.566 0.000 2.485 645 L HA 0.127 4.461 4.340 -0.009 0.000 0.279 645 L C 0.465 177.130 176.870 -0.341 0.000 1.124 645 L CA 0.261 54.904 54.840 -0.328 0.000 0.888 645 L CB -0.151 41.793 42.059 -0.191 0.000 1.217 645 L HN 0.629 nan 8.230 nan 0.000 0.464 646 E N 3.113 123.232 120.200 -0.135 0.000 2.383 646 E HA -0.038 4.307 4.350 -0.009 0.000 0.264 646 E C 0.591 177.268 176.600 0.129 0.000 1.050 646 E CA -0.251 56.175 56.400 0.044 0.000 0.896 646 E CB 0.326 29.946 29.700 -0.133 0.000 0.982 646 E HN 0.539 nan 8.360 nan 0.000 0.424 647 N N 2.335 121.161 118.700 0.210 0.000 2.714 647 N HA -0.294 4.440 4.740 -0.009 0.000 0.252 647 N C -1.465 174.149 175.510 0.173 0.000 1.014 647 N CA 0.572 53.742 53.050 0.200 0.000 0.735 647 N CB -1.459 37.159 38.487 0.219 0.000 0.924 647 N HN 0.453 nan 8.380 nan 0.000 0.540 648 Y N 1.292 121.610 120.300 0.029 0.000 2.721 648 Y HA 0.104 4.648 4.550 -0.010 0.000 0.329 648 Y C 1.140 177.059 175.900 0.031 0.000 1.211 648 Y CA 0.648 58.749 58.100 0.001 0.000 1.512 648 Y CB 0.276 38.703 38.460 -0.055 0.000 1.249 648 Y HN 0.385 nan 8.280 nan 0.000 0.549 649 R N 2.463 122.649 120.500 -0.523 0.000 2.844 649 R HA 0.511 4.846 4.340 -0.009 0.000 0.264 649 R C -0.320 175.638 176.300 -0.569 0.000 1.077 649 R CA -0.626 55.224 56.100 -0.417 0.000 0.953 649 R CB 0.349 30.588 30.300 -0.102 0.000 1.272 649 R HN 0.337 nan 8.270 nan 0.000 0.447 650 V N 1.023 120.651 119.914 -0.477 0.000 2.287 650 V HA -0.282 3.832 4.120 -0.009 0.000 0.248 650 V C 2.491 178.459 176.094 -0.209 0.000 1.053 650 V CA 2.805 64.876 62.300 -0.382 0.000 1.027 650 V CB -0.740 30.834 31.823 -0.415 0.000 0.646 650 V HN 0.927 nan 8.190 nan 0.000 0.447 651 S N -0.161 115.438 115.700 -0.169 0.000 2.447 651 S HA -0.111 4.354 4.470 -0.009 0.000 0.233 651 S C 1.847 176.393 174.600 -0.091 0.000 1.006 651 S CA 1.356 59.485 58.200 -0.118 0.000 0.957 651 S CB -0.360 62.797 63.200 -0.071 0.000 0.773 651 S HN 0.410 nan 8.310 nan 0.000 0.507 652 L N 1.705 122.873 121.223 -0.091 0.000 2.179 652 L HA 0.430 4.765 4.340 -0.009 0.000 0.208 652 L C 2.508 179.368 176.870 -0.015 0.000 1.096 652 L CA 1.215 56.038 54.840 -0.028 0.000 0.779 652 L CB -1.149 40.949 42.059 0.064 0.000 0.922 652 L HN 0.319 nan 8.230 nan 0.000 0.443 653 A N -0.688 122.098 122.820 -0.056 0.000 1.969 653 A HA -0.181 4.133 4.320 -0.009 0.000 0.218 653 A C 2.101 179.731 177.584 0.076 0.000 1.169 653 A CA 1.563 53.642 52.037 0.071 0.000 0.635 653 A CB -0.518 18.502 19.000 0.032 0.000 0.810 653 A HN 0.587 nan 8.150 nan 0.000 0.445 654 E N -0.341 119.889 120.200 0.050 0.000 2.268 654 E HA -0.137 4.207 4.350 -0.009 0.000 0.195 654 E C 1.792 178.358 176.600 -0.057 0.000 0.995 654 E CA 1.049 57.450 56.400 0.001 0.000 0.836 654 E CB -0.014 29.607 29.700 -0.132 0.000 0.763 654 E HN 0.615 nan 8.360 nan 0.000 0.491 655 K N 0.020 120.361 120.400 -0.099 0.000 2.141 655 K HA -0.019 4.295 4.320 -0.009 0.000 0.202 655 K C 2.262 178.675 176.600 -0.311 0.000 1.045 655 K CA 0.932 57.137 56.287 -0.136 0.000 0.971 655 K CB 0.218 32.623 32.500 -0.158 0.000 0.795 655 K HN -0.005 nan 8.250 nan 0.000 0.459 656 V N 0.933 120.573 119.914 -0.457 0.000 2.270 656 V HA -0.208 3.907 4.120 -0.009 0.000 0.245 656 V C 2.235 178.107 176.094 -0.370 0.000 1.043 656 V CA 1.386 63.244 62.300 -0.737 0.000 1.014 656 V CB -0.860 30.671 31.823 -0.486 0.000 0.645 656 V HN 0.179 nan 8.190 nan 0.000 0.447 657 I N 0.855 121.250 120.570 -0.291 0.000 2.145 657 I HA -0.191 3.974 4.170 -0.009 0.000 0.244 657 I C 0.000 176.015 176.117 -0.170 0.000 1.075 657 I CA 2.102 63.169 61.300 -0.389 0.000 1.332 657 I CB -1.619 36.028 38.000 -0.589 0.000 1.033 657 I HN 0.351 nan 8.210 nan 0.000 0.410 658 P HA -0.118 nan 4.420 nan 0.000 0.222 658 P C 0.933 178.240 177.300 0.011 0.000 1.147 658 P CA 1.342 64.425 63.100 -0.027 0.000 0.790 658 P CB 0.038 31.728 31.700 -0.016 0.000 0.780 659 A N -1.303 121.513 122.820 -0.007 0.000 2.275 659 A HA 0.481 4.795 4.320 -0.009 0.000 0.212 659 A C 1.131 178.837 177.584 0.204 0.000 1.201 659 A CA 0.069 52.162 52.037 0.093 0.000 0.843 659 A CB -0.628 18.451 19.000 0.131 0.000 0.873 659 A HN 0.188 nan 8.150 nan 0.000 0.492 660 A N -0.183 122.751 122.820 0.189 0.000 2.340 660 A HA 0.492 4.806 4.320 -0.009 0.000 0.268 660 A C 0.334 178.069 177.584 0.252 0.000 1.100 660 A CA -0.170 52.037 52.037 0.284 0.000 0.803 660 A CB 0.381 19.637 19.000 0.428 0.000 1.043 660 A HN 0.267 nan 8.150 nan 0.000 0.488 661 D N 0.388 120.931 120.400 0.239 0.000 2.525 661 D HA 0.135 4.770 4.640 -0.009 0.000 0.248 661 D C 0.001 176.512 176.300 0.351 0.000 1.000 661 D CA 0.640 54.829 54.000 0.316 0.000 0.923 661 D CB 0.311 41.206 40.800 0.160 0.000 1.101 661 D HN 0.361 nan 8.370 nan 0.000 0.493 662 L N 1.194 122.503 121.223 0.142 0.000 2.356 662 L HA 0.305 4.640 4.340 -0.009 0.000 0.277 662 L C -0.755 175.983 176.870 -0.221 0.000 0.996 662 L CA -0.296 54.549 54.840 0.007 0.000 0.822 662 L CB 2.076 44.111 42.059 -0.041 0.000 1.256 662 L HN -0.172 nan 8.230 nan 0.000 0.413 663 S N 4.224 119.708 115.700 -0.361 0.000 2.429 663 S HA 0.325 4.789 4.470 -0.009 0.000 0.302 663 S C -0.412 173.905 174.600 -0.473 0.000 1.115 663 S CA -0.692 57.052 58.200 -0.760 0.000 1.095 663 S CB 0.668 63.372 63.200 -0.826 0.000 0.987 663 S HN 0.544 nan 8.310 nan 0.000 0.474 664 E N 4.126 124.059 120.200 -0.445 0.000 2.089 664 E HA 0.210 4.555 4.350 -0.009 0.000 0.284 664 E C -0.548 175.937 176.600 -0.191 0.000 1.023 664 E CA -0.397 55.866 56.400 -0.228 0.000 0.819 664 E CB 0.982 30.576 29.700 -0.177 0.000 1.076 664 E HN 0.597 nan 8.360 nan 0.000 0.396 665 Q N 2.807 122.550 119.800 -0.095 0.000 3.064 665 Q HA 0.267 4.601 4.340 -0.009 0.000 0.258 665 Q C 0.576 176.573 176.000 -0.004 0.000 0.972 665 Q CA -0.138 55.627 55.803 -0.062 0.000 0.761 665 Q CB 0.295 29.008 28.738 -0.042 0.000 1.281 665 Q HN 0.614 nan 8.270 nan 0.000 0.455 666 I N -1.493 119.062 120.570 -0.025 0.000 3.637 666 I HA 0.285 4.450 4.170 -0.009 0.000 0.342 666 I C 0.341 176.415 176.117 -0.071 0.000 1.545 666 I CA -0.641 60.661 61.300 0.004 0.000 1.126 666 I CB 0.314 38.313 38.000 -0.001 0.000 1.375 666 I HN 0.001 nan 8.210 nan 0.000 0.467 667 S N 0.303 115.958 115.700 -0.074 0.000 2.593 667 S HA 0.249 4.713 4.470 -0.009 0.000 0.269 667 S C 0.534 175.117 174.600 -0.029 0.000 1.334 667 S CA -0.328 57.842 58.200 -0.051 0.000 1.015 667 S CB 0.619 63.836 63.200 0.027 0.000 0.912 667 S HN 0.386 nan 8.310 nan 0.000 0.541 668 T N 2.609 117.177 114.554 0.024 0.000 2.888 668 T HA 0.406 4.750 4.350 -0.009 0.000 0.301 668 T C 0.725 175.434 174.700 0.016 0.000 1.001 668 T CA 0.193 62.312 62.100 0.031 0.000 1.147 668 T CB 0.081 69.034 68.868 0.142 0.000 0.931 668 T HN 1.000 nan 8.240 nan 0.000 0.541 669 A N 2.720 125.518 122.820 -0.037 0.000 2.580 669 A HA 0.435 4.749 4.320 -0.009 0.000 0.244 669 A C 1.653 179.230 177.584 -0.012 0.000 1.045 669 A CA 0.366 52.379 52.037 -0.039 0.000 0.761 669 A CB -0.936 18.028 19.000 -0.061 0.000 0.962 669 A HN 1.674 nan 8.150 nan 0.000 0.512 670 G N 1.411 110.205 108.800 -0.010 0.000 2.176 670 G HA2 -0.254 3.700 3.960 -0.009 0.000 0.232 670 G HA3 -0.254 3.700 3.960 -0.009 0.000 0.232 670 G C 0.951 175.840 174.900 -0.018 0.000 0.986 670 G CA 1.106 46.201 45.100 -0.009 0.000 0.643 670 G HN 1.987 nan 8.290 nan 0.000 0.522 671 T N -2.243 112.302 114.554 -0.017 0.000 3.042 671 T HA 0.385 4.729 4.350 -0.009 0.000 0.245 671 T C 0.819 175.382 174.700 -0.228 0.000 1.029 671 T CA 1.145 63.171 62.100 -0.122 0.000 1.120 671 T CB 0.455 69.298 68.868 -0.042 0.000 0.917 671 T HN 0.275 nan 8.240 nan 0.000 0.467 672 E N 1.579 121.775 120.200 -0.007 0.000 1.996 672 E HA 0.648 4.992 4.350 -0.009 0.000 0.280 672 E C 1.177 177.742 176.600 -0.059 0.000 1.092 672 E CA 0.068 56.508 56.400 0.066 0.000 0.862 672 E CB 0.664 30.453 29.700 0.148 0.000 1.066 672 E HN 0.361 nan 8.360 nan 0.000 0.396 673 A N 3.402 126.110 122.820 -0.186 0.000 1.903 673 A HA -0.247 4.067 4.320 -0.009 0.000 0.219 673 A C 1.976 179.453 177.584 -0.178 0.000 1.191 673 A CA 2.381 54.182 52.037 -0.393 0.000 0.638 673 A CB -0.275 18.244 19.000 -0.802 0.000 0.823 673 A HN 0.617 nan 8.150 nan 0.000 0.451 674 S N -4.182 111.467 115.700 -0.085 0.000 4.193 674 S HA 0.453 4.917 4.470 -0.009 0.000 0.211 674 S C 0.668 175.270 174.600 0.004 0.000 1.162 674 S CA 1.366 59.560 58.200 -0.009 0.000 1.039 674 S CB -0.131 63.085 63.200 0.026 0.000 1.371 674 S HN 2.335 nan 8.310 nan 0.000 0.550 675 G N 0.285 109.093 108.800 0.014 0.000 2.705 675 G HA2 -0.014 3.941 3.960 -0.009 0.000 0.686 675 G HA3 -0.014 3.941 3.960 -0.009 0.000 0.686 675 G C 0.228 175.123 174.900 -0.008 0.000 1.285 675 G CA 0.454 45.559 45.100 0.008 0.000 0.800 675 G HN 1.385 nan 8.290 nan 0.000 0.611 676 T N -2.034 112.501 114.554 -0.032 0.000 2.992 676 T HA 0.383 4.728 4.350 -0.009 0.000 0.255 676 T C 2.332 176.943 174.700 -0.148 0.000 0.938 676 T CA 1.229 63.281 62.100 -0.079 0.000 0.895 676 T CB 0.389 69.205 68.868 -0.087 0.000 1.221 676 T HN 1.875 nan 8.240 nan 0.000 0.512 677 G N 3.086 111.825 108.800 -0.102 0.000 2.422 677 G HA2 -0.242 3.713 3.960 -0.009 0.000 0.218 677 G HA3 -0.242 3.713 3.960 -0.009 0.000 0.218 677 G C 1.451 176.402 174.900 0.085 0.000 1.146 677 G CA 1.118 46.171 45.100 -0.079 0.000 0.769 677 G HN 0.823 nan 8.290 nan 0.000 0.547 678 N N 0.211 118.948 118.700 0.061 0.000 2.104 678 N HA -0.158 4.577 4.740 -0.009 0.000 0.190 678 N C 2.218 177.742 175.510 0.023 0.000 1.024 678 N CA 1.373 54.464 53.050 0.069 0.000 0.853 678 N CB -0.371 38.109 38.487 -0.012 0.000 1.008 678 N HN 0.341 nan 8.380 nan 0.000 0.424 679 M N 0.827 120.375 119.600 -0.087 0.000 2.132 679 M HA -0.043 4.432 4.480 -0.009 0.000 0.263 679 M C 2.009 178.262 176.300 -0.077 0.000 1.065 679 M CA 1.499 56.729 55.300 -0.116 0.000 1.122 679 M CB -0.155 32.388 32.600 -0.095 0.000 1.365 679 M HN 0.107 nan 8.290 nan 0.000 0.411 680 K N 0.095 120.377 120.400 -0.196 0.000 2.063 680 K HA -0.127 4.188 4.320 -0.009 0.000 0.208 680 K C 1.696 178.173 176.600 -0.204 0.000 1.048 680 K CA 1.431 57.533 56.287 -0.308 0.000 0.928 680 K CB -0.303 31.787 32.500 -0.682 0.000 0.713 680 K HN 0.144 nan 8.250 nan 0.000 0.442 681 F N 1.026 120.911 119.950 -0.109 0.000 2.146 681 F HA -0.104 4.417 4.527 -0.010 0.000 0.298 681 F C 2.537 178.314 175.800 -0.038 0.000 1.096 681 F CA 1.192 59.151 58.000 -0.067 0.000 1.275 681 F CB -0.314 38.635 39.000 -0.085 0.000 1.008 681 F HN -0.010 nan 8.300 nan 0.000 0.480 682 M N -0.524 119.165 119.600 0.147 0.000 2.213 682 M HA -0.173 4.301 4.480 -0.009 0.000 0.263 682 M C 1.950 178.306 176.300 0.092 0.000 1.062 682 M CA 1.501 56.859 55.300 0.097 0.000 1.105 682 M CB -0.154 32.495 32.600 0.081 0.000 1.385 682 M HN 0.267 nan 8.290 nan 0.000 0.417 683 L N 0.682 121.955 121.223 0.083 0.000 2.313 683 L HA -0.004 4.330 4.340 -0.009 0.000 0.214 683 L C 1.218 178.134 176.870 0.076 0.000 1.119 683 L CA 1.467 56.362 54.840 0.092 0.000 0.809 683 L CB -0.458 41.664 42.059 0.105 0.000 0.933 683 L HN 0.331 nan 8.230 nan 0.000 0.449 684 N N -0.056 118.680 118.700 0.061 0.000 2.251 684 N HA 0.180 4.915 4.740 -0.009 0.000 0.217 684 N C 0.767 176.318 175.510 0.068 0.000 1.124 684 N CA 0.770 53.852 53.050 0.053 0.000 0.843 684 N CB 0.541 39.038 38.487 0.016 0.000 1.024 684 N HN 0.384 nan 8.380 nan 0.000 0.501 685 G N 0.557 109.402 108.800 0.075 0.000 2.149 685 G HA2 -0.194 3.761 3.960 -0.009 0.000 0.235 685 G HA3 -0.194 3.761 3.960 -0.009 0.000 0.235 685 G C -0.062 174.915 174.900 0.128 0.000 1.018 685 G CA 0.150 45.298 45.100 0.080 0.000 0.728 685 G HN 0.526 nan 8.290 nan 0.000 0.508 686 A N -0.336 122.566 122.820 0.137 0.000 2.340 686 A HA 0.888 5.202 4.320 -0.009 0.000 0.331 686 A C 0.274 177.868 177.584 0.016 0.000 1.140 686 A CA -0.677 51.457 52.037 0.162 0.000 0.801 686 A CB 1.197 20.354 19.000 0.261 0.000 1.234 686 A HN 0.687 nan 8.150 nan 0.000 0.469 687 L N 0.894 122.082 121.223 -0.058 0.000 2.399 687 L HA 0.462 4.796 4.340 -0.009 0.000 0.265 687 L C 0.149 176.883 176.870 -0.225 0.000 1.089 687 L CA -0.374 54.322 54.840 -0.240 0.000 0.802 687 L CB 1.643 43.446 42.059 -0.427 0.000 1.180 687 L HN 0.709 nan 8.230 nan 0.000 0.454 688 T N 2.886 117.175 114.554 -0.442 0.000 2.797 688 T HA 0.466 4.810 4.350 -0.009 0.000 0.279 688 T C -0.405 174.116 174.700 -0.298 0.000 0.991 688 T CA -0.253 61.548 62.100 -0.499 0.000 0.979 688 T CB 1.541 69.889 68.868 -0.866 0.000 0.943 688 T HN 0.357 nan 8.240 nan 0.000 0.444 689 I N 2.912 123.415 120.570 -0.112 0.000 2.362 689 I HA 0.724 4.888 4.170 -0.009 0.000 0.289 689 I C 0.066 176.307 176.117 0.206 0.000 0.994 689 I CA 0.060 61.409 61.300 0.081 0.000 1.158 689 I CB 0.379 38.349 38.000 -0.051 0.000 1.315 689 I HN 0.800 nan 8.210 nan 0.000 0.451 690 G N 4.001 113.025 108.800 0.372 0.000 2.550 690 G HA2 0.451 4.406 3.960 -0.009 0.000 0.293 690 G HA3 0.451 4.406 3.960 -0.009 0.000 0.293 690 G C -0.985 173.880 174.900 -0.059 0.000 1.402 690 G CA -0.309 44.958 45.100 0.278 0.000 0.784 690 G HN 0.568 nan 8.290 nan 0.000 0.482 691 T N -1.664 112.726 114.554 -0.273 0.000 2.927 691 T HA 0.551 4.896 4.350 -0.009 0.000 0.281 691 T C 0.618 175.221 174.700 -0.162 0.000 0.998 691 T CA -0.739 61.113 62.100 -0.415 0.000 1.019 691 T CB 1.302 69.924 68.868 -0.410 0.000 1.061 691 T HN 0.263 nan 8.240 nan 0.000 0.518 692 M N 2.898 122.410 119.600 -0.148 0.000 3.436 692 M HA 0.332 4.806 4.480 -0.009 0.000 0.240 692 M C -0.467 175.792 176.300 -0.069 0.000 1.469 692 M CA -0.089 55.160 55.300 -0.084 0.000 1.622 692 M CB -1.765 30.790 32.600 -0.075 0.000 1.098 692 M HN 0.719 nan 8.290 nan 0.000 0.568 693 D N -0.029 120.338 120.400 -0.055 0.000 2.671 693 D HA 0.679 5.313 4.640 -0.009 0.000 0.232 693 D C 0.742 177.032 176.300 -0.017 0.000 1.114 693 D CA 0.687 54.667 54.000 -0.034 0.000 0.858 693 D CB 1.793 42.574 40.800 -0.032 0.000 1.544 693 D HN 0.603 nan 8.370 nan 0.000 0.471 694 G N 1.773 110.571 108.800 -0.004 0.000 2.627 694 G HA2 -0.265 3.690 3.960 -0.009 0.000 0.312 694 G HA3 -0.265 3.690 3.960 -0.009 0.000 0.312 694 G C 1.038 175.943 174.900 0.009 0.000 1.299 694 G CA 1.130 46.234 45.100 0.006 0.000 0.989 694 G HN 1.040 nan 8.290 nan 0.000 0.547 695 A N -0.374 122.450 122.820 0.006 0.000 2.168 695 A HA 0.084 4.398 4.320 -0.009 0.000 0.215 695 A C 2.116 179.654 177.584 -0.077 0.000 1.152 695 A CA 1.877 53.916 52.037 0.002 0.000 0.716 695 A CB -0.456 18.545 19.000 0.001 0.000 0.794 695 A HN 0.619 nan 8.150 nan 0.000 0.465 696 N N 0.458 119.122 118.700 -0.061 0.000 2.137 696 N HA -0.151 4.583 4.740 -0.009 0.000 0.190 696 N C 1.585 177.000 175.510 -0.158 0.000 1.017 696 N CA 1.601 54.617 53.050 -0.056 0.000 0.859 696 N CB -0.559 37.945 38.487 0.027 0.000 1.002 696 N HN 0.289 nan 8.380 nan 0.000 0.428 697 V N 1.240 121.094 119.914 -0.099 0.000 2.343 697 V HA -0.202 3.913 4.120 -0.009 0.000 0.247 697 V C 1.901 177.931 176.094 -0.107 0.000 1.051 697 V CA 1.654 63.891 62.300 -0.106 0.000 1.036 697 V CB -0.465 31.326 31.823 -0.053 0.000 0.654 697 V HN 0.363 nan 8.190 nan 0.000 0.451 698 E N -0.655 119.532 120.200 -0.021 0.000 2.216 698 E HA -0.113 4.231 4.350 -0.009 0.000 0.192 698 E C 2.181 178.875 176.600 0.157 0.000 0.988 698 E CA 0.936 57.393 56.400 0.095 0.000 0.834 698 E CB -0.150 29.692 29.700 0.238 0.000 0.772 698 E HN 0.550 nan 8.360 nan 0.000 0.479 699 M N 0.466 120.018 119.600 -0.081 0.000 2.077 699 M HA -0.100 4.375 4.480 -0.009 0.000 0.261 699 M C 2.515 178.511 176.300 -0.507 0.000 1.070 699 M CA 1.477 56.621 55.300 -0.259 0.000 1.125 699 M CB -0.166 32.165 32.600 -0.448 0.000 1.339 699 M HN 0.133 nan 8.290 nan 0.000 0.409 700 A N -0.110 122.140 122.820 -0.950 0.000 1.933 700 A HA -0.223 4.091 4.320 -0.009 0.000 0.218 700 A C 1.980 179.335 177.584 -0.382 0.000 1.175 700 A CA 1.970 53.405 52.037 -1.004 0.000 0.628 700 A CB -0.835 17.672 19.000 -0.822 0.000 0.814 700 A HN 0.590 nan 8.150 nan 0.000 0.444 701 E N -0.555 119.503 120.200 -0.236 0.000 2.153 701 E HA -0.197 4.147 4.350 -0.009 0.000 0.194 701 E C 1.687 178.249 176.600 -0.063 0.000 0.988 701 E CA 1.161 57.494 56.400 -0.111 0.000 0.811 701 E CB -0.002 29.658 29.700 -0.066 0.000 0.746 701 E HN 0.574 nan 8.360 nan 0.000 0.466 702 E N -0.099 120.086 120.200 -0.025 0.000 2.086 702 E HA -0.057 4.287 4.350 -0.009 0.000 0.190 702 E C 1.823 178.432 176.600 0.015 0.000 0.975 702 E CA 0.962 57.377 56.400 0.025 0.000 0.813 702 E CB -0.058 29.724 29.700 0.137 0.000 0.768 702 E HN 0.320 nan 8.360 nan 0.000 0.457 703 A N 0.551 123.370 122.820 -0.003 0.000 2.021 703 A HA 0.330 4.644 4.320 -0.009 0.000 0.216 703 A C 1.069 178.651 177.584 -0.005 0.000 1.163 703 A CA 1.170 53.223 52.037 0.026 0.000 0.676 703 A CB -0.000 19.061 19.000 0.102 0.000 0.818 703 A HN 0.249 nan 8.150 nan 0.000 0.453 704 G N -0.914 107.856 108.800 -0.051 0.000 3.069 704 G HA2 -0.058 3.896 3.960 -0.009 0.000 0.686 704 G HA3 -0.058 3.896 3.960 -0.009 0.000 0.686 704 G C -0.063 174.807 174.900 -0.051 0.000 1.161 704 G CA 0.084 45.156 45.100 -0.047 0.000 0.804 704 G HN 0.180 nan 8.290 nan 0.000 0.608 705 E N 0.432 120.597 120.200 -0.059 0.000 2.219 705 E HA -0.170 4.174 4.350 -0.009 0.000 0.198 705 E C 2.121 178.709 176.600 -0.019 0.000 0.998 705 E CA 2.045 58.423 56.400 -0.037 0.000 0.818 705 E CB 0.098 29.778 29.700 -0.034 0.000 0.741 705 E HN 0.728 nan 8.360 nan 0.000 0.477 706 E N 0.131 120.308 120.200 -0.040 0.000 2.347 706 E HA -0.082 4.263 4.350 -0.009 0.000 0.196 706 E C 0.778 177.298 176.600 -0.134 0.000 1.008 706 E CA 0.636 56.993 56.400 -0.071 0.000 0.852 706 E CB 0.041 29.709 29.700 -0.053 0.000 0.783 706 E HN 0.175 nan 8.360 nan 0.000 0.505 707 N N -0.274 118.373 118.700 -0.089 0.000 2.251 707 N HA 0.128 4.863 4.740 -0.009 0.000 0.217 707 N C -0.939 174.502 175.510 -0.115 0.000 1.124 707 N CA 0.098 53.068 53.050 -0.133 0.000 0.843 707 N CB 0.379 38.840 38.487 -0.044 0.000 1.024 707 N HN 0.046 nan 8.380 nan 0.000 0.501 708 F N -0.277 119.454 119.950 -0.364 0.000 2.565 708 F HA 0.396 4.916 4.527 -0.010 0.000 0.313 708 F C -0.724 174.858 175.800 -0.363 0.000 1.091 708 F CA -1.175 56.640 58.000 -0.309 0.000 0.915 708 F CB 1.249 40.165 39.000 -0.139 0.000 1.208 708 F HN -0.212 nan 8.300 nan 0.000 0.453 709 F N 5.341 125.252 119.950 -0.065 0.000 2.425 709 F HA 0.401 4.923 4.527 -0.009 0.000 0.354 709 F C -0.268 175.633 175.800 0.168 0.000 1.162 709 F CA -0.526 57.483 58.000 0.016 0.000 1.250 709 F CB -0.287 38.666 39.000 -0.078 0.000 1.579 709 F HN 0.047 nan 8.300 nan 0.000 0.589 710 I N 3.738 124.504 120.570 0.327 0.000 2.472 710 I HA 0.396 4.560 4.170 -0.009 0.000 0.290 710 I C -0.068 176.243 176.117 0.322 0.000 1.016 710 I CA -0.409 61.060 61.300 0.282 0.000 1.348 710 I CB 0.495 38.589 38.000 0.156 0.000 1.417 710 I HN 0.334 nan 8.210 nan 0.000 0.521 711 F N 2.725 122.739 119.950 0.106 0.000 2.745 711 F HA 0.922 5.443 4.527 -0.010 0.000 0.316 711 F C 0.103 175.945 175.800 0.071 0.000 1.155 711 F CA -0.749 57.304 58.000 0.089 0.000 0.937 711 F CB 0.671 39.734 39.000 0.104 0.000 1.361 711 F HN 0.880 nan 8.300 nan 0.000 0.472 712 G N 0.850 109.677 108.800 0.045 0.000 2.828 712 G HA2 -0.098 3.856 3.960 -0.009 0.000 0.463 712 G HA3 -0.098 3.856 3.960 -0.009 0.000 0.463 712 G C -0.774 174.078 174.900 -0.079 0.000 1.394 712 G CA -0.502 44.556 45.100 -0.070 0.000 0.862 712 G HN 0.949 nan 8.290 nan 0.000 0.540 713 M N 0.657 120.226 119.600 -0.051 0.000 2.245 713 M HA 0.308 4.783 4.480 -0.009 0.000 0.330 713 M C 1.183 177.443 176.300 -0.067 0.000 1.098 713 M CA 0.062 55.344 55.300 -0.030 0.000 1.172 713 M CB 0.335 32.928 32.600 -0.013 0.000 1.467 713 M HN 0.548 nan 8.290 nan 0.000 0.454 714 R N 1.150 121.626 120.500 -0.039 0.000 2.606 714 R HA 0.363 4.697 4.340 -0.009 0.000 0.249 714 R C 1.201 177.480 176.300 -0.034 0.000 1.127 714 R CA -0.671 55.403 56.100 -0.045 0.000 1.133 714 R CB 0.055 30.337 30.300 -0.030 0.000 1.243 714 R HN 0.557 nan 8.270 nan 0.000 0.558 715 V N 1.471 121.365 119.914 -0.033 0.000 2.324 715 V HA -0.272 3.842 4.120 -0.009 0.000 0.250 715 V C 1.851 177.934 176.094 -0.019 0.000 1.060 715 V CA 2.050 64.334 62.300 -0.027 0.000 1.042 715 V CB -0.469 31.337 31.823 -0.028 0.000 0.650 715 V HN 0.617 nan 8.190 nan 0.000 0.450 716 E N 0.141 120.332 120.200 -0.015 0.000 2.110 716 E HA -0.182 4.163 4.350 -0.009 0.000 0.193 716 E C 1.967 178.569 176.600 0.004 0.000 0.988 716 E CA 1.366 57.763 56.400 -0.007 0.000 0.804 716 E CB -0.405 29.292 29.700 -0.004 0.000 0.745 716 E HN 0.624 nan 8.360 nan 0.000 0.458 717 D N -0.097 120.306 120.400 0.006 0.000 2.144 717 D HA -0.100 4.535 4.640 -0.009 0.000 0.200 717 D C 1.952 178.265 176.300 0.022 0.000 0.978 717 D CA 0.877 54.890 54.000 0.022 0.000 0.833 717 D CB -0.023 40.793 40.800 0.025 0.000 0.961 717 D HN 0.071 nan 8.370 nan 0.000 0.470 718 V N 1.888 121.802 119.914 0.000 0.000 2.358 718 V HA -0.194 3.921 4.120 -0.009 0.000 0.246 718 V C 1.985 178.078 176.094 -0.002 0.000 1.047 718 V CA 1.586 63.878 62.300 -0.012 0.000 1.035 718 V CB -0.363 31.442 31.823 -0.030 0.000 0.658 718 V HN 0.048 nan 8.190 nan 0.000 0.452 719 D N -0.030 120.370 120.400 -0.001 0.000 2.117 719 D HA -0.139 4.496 4.640 -0.009 0.000 0.197 719 D C 2.415 178.726 176.300 0.018 0.000 0.987 719 D CA 1.163 55.164 54.000 0.003 0.000 0.829 719 D CB -0.204 40.593 40.800 -0.003 0.000 0.961 719 D HN 0.363 nan 8.370 nan 0.000 0.460 720 R N 0.184 120.700 120.500 0.026 0.000 2.092 720 R HA 0.011 4.346 4.340 -0.009 0.000 0.231 720 R C 2.463 178.798 176.300 0.059 0.000 1.119 720 R CA 0.345 56.469 56.100 0.039 0.000 0.970 720 R CB -0.229 30.095 30.300 0.041 0.000 0.864 720 R HN 0.187 nan 8.270 nan 0.000 0.440 721 L N 0.602 121.868 121.223 0.071 0.000 2.093 721 L HA -0.182 4.152 4.340 -0.009 0.000 0.208 721 L C 1.338 178.274 176.870 0.110 0.000 1.085 721 L CA 1.357 56.266 54.840 0.116 0.000 0.755 721 L CB -0.188 41.949 42.059 0.130 0.000 0.904 721 L HN 0.231 nan 8.230 nan 0.000 0.435 722 D N -0.818 119.621 120.400 0.065 0.000 2.149 722 D HA -0.158 4.477 4.640 -0.009 0.000 0.201 722 D C 2.255 178.585 176.300 0.051 0.000 0.972 722 D CA 0.757 54.790 54.000 0.055 0.000 0.835 722 D CB 0.063 40.875 40.800 0.019 0.000 0.966 722 D HN 0.348 nan 8.370 nan 0.000 0.476 723 Q N 0.532 120.357 119.800 0.043 0.000 2.061 723 Q HA -0.136 4.199 4.340 -0.009 0.000 0.204 723 Q C 2.224 178.250 176.000 0.044 0.000 0.984 723 Q CA 0.921 56.746 55.803 0.035 0.000 0.846 723 Q CB -0.419 28.337 28.738 0.030 0.000 0.902 723 Q HN 0.305 nan 8.270 nan 0.000 0.421 724 R N 0.265 120.799 120.500 0.056 0.000 2.115 724 R HA 0.007 4.341 4.340 -0.009 0.000 0.226 724 R C -0.058 176.284 176.300 0.069 0.000 1.100 724 R CA 1.100 57.236 56.100 0.059 0.000 0.980 724 R CB 0.123 30.464 30.300 0.069 0.000 0.875 724 R HN 0.343 nan 8.270 nan 0.000 0.445 725 G N 0.149 109.005 108.800 0.093 0.000 3.233 725 G HA2 -0.252 3.703 3.960 -0.009 0.000 0.686 725 G HA3 -0.252 3.703 3.960 -0.009 0.000 0.686 725 G C -1.452 173.548 174.900 0.165 0.000 1.153 725 G CA -0.352 44.813 45.100 0.108 0.000 0.853 725 G HN 0.297 nan 8.290 nan 0.000 0.582 726 Y N 3.824 124.161 120.300 0.062 0.000 2.404 726 Y HA 0.574 5.119 4.550 -0.009 0.000 0.344 726 Y C 0.367 176.330 175.900 0.107 0.000 0.995 726 Y CA -1.031 57.125 58.100 0.093 0.000 1.201 726 Y CB 0.937 39.429 38.460 0.053 0.000 1.151 726 Y HN 0.561 nan 8.280 nan 0.000 0.517 727 N N 5.316 123.794 118.700 -0.370 0.000 2.626 727 N HA 0.265 5.000 4.740 -0.009 0.000 0.242 727 N C 0.302 175.583 175.510 -0.382 0.000 1.005 727 N CA 0.332 53.187 53.050 -0.325 0.000 0.905 727 N CB 1.408 39.837 38.487 -0.096 0.000 1.128 727 N HN 0.902 nan 8.380 nan 0.000 0.512 728 A N 2.930 125.401 122.820 -0.583 0.000 1.978 728 A HA -0.245 4.069 4.320 -0.009 0.000 0.220 728 A C 1.982 179.715 177.584 0.249 0.000 1.170 728 A CA 1.528 53.490 52.037 -0.126 0.000 0.636 728 A CB -0.386 18.495 19.000 -0.198 0.000 0.810 728 A HN 0.753 nan 8.150 nan 0.000 0.448 729 Q N 0.239 120.082 119.800 0.070 0.000 2.133 729 Q HA -0.259 4.075 4.340 -0.009 0.000 0.208 729 Q C 1.908 177.993 176.000 0.143 0.000 0.991 729 Q CA 2.480 58.338 55.803 0.091 0.000 0.867 729 Q CB -0.417 28.332 28.738 0.019 0.000 0.911 729 Q HN 0.777 nan 8.270 nan 0.000 0.417 730 E N -1.454 118.781 120.200 0.057 0.000 2.097 730 E HA -0.251 4.094 4.350 -0.009 0.000 0.196 730 E C 1.586 178.132 176.600 -0.091 0.000 1.000 730 E CA 1.570 57.934 56.400 -0.060 0.000 0.804 730 E CB -0.241 29.339 29.700 -0.199 0.000 0.740 730 E HN 0.608 nan 8.360 nan 0.000 0.454 731 Y N -1.271 119.092 120.300 0.105 0.000 2.263 731 Y HA -0.162 4.382 4.550 -0.009 0.000 0.292 731 Y C 2.123 178.005 175.900 -0.030 0.000 1.130 731 Y CA 1.335 59.478 58.100 0.071 0.000 1.179 731 Y CB -0.574 37.978 38.460 0.154 0.000 0.998 731 Y HN 0.238 nan 8.280 nan 0.000 0.532 732 Y N 1.107 121.421 120.300 0.024 0.000 2.242 732 Y HA -0.216 4.329 4.550 -0.009 0.000 0.291 732 Y C 1.751 177.607 175.900 -0.073 0.000 1.137 732 Y CA 1.597 59.630 58.100 -0.111 0.000 1.181 732 Y CB -0.298 38.146 38.460 -0.027 0.000 0.989 732 Y HN 0.063 nan 8.280 nan 0.000 0.527 733 D N -0.219 120.275 120.400 0.156 0.000 2.183 733 D HA -0.073 4.561 4.640 -0.009 0.000 0.203 733 D C 1.708 177.983 176.300 -0.043 0.000 0.969 733 D CA 1.042 55.079 54.000 0.062 0.000 0.842 733 D CB -0.020 40.831 40.800 0.085 0.000 0.957 733 D HN 0.487 nan 8.370 nan 0.000 0.484 734 R N -0.056 120.414 120.500 -0.051 0.000 2.312 734 R HA 0.276 4.611 4.340 -0.009 0.000 0.205 734 R C 0.424 176.691 176.300 -0.055 0.000 0.904 734 R CA 0.084 56.151 56.100 -0.054 0.000 1.052 734 R CB 1.130 31.395 30.300 -0.059 0.000 1.014 734 R HN 0.132 nan 8.270 nan 0.000 0.503 735 I N 2.121 122.634 120.570 -0.095 0.000 2.464 735 I HA 0.222 4.386 4.170 -0.009 0.000 0.277 735 I C -1.937 174.072 176.117 -0.179 0.000 1.040 735 I CA -2.385 58.861 61.300 -0.090 0.000 1.153 735 I CB 2.136 40.104 38.000 -0.052 0.000 1.274 735 I HN -0.300 nan 8.210 nan 0.000 0.469 736 P HA -0.221 nan 4.420 nan 0.000 0.216 736 P C 1.181 178.380 177.300 -0.168 0.000 1.157 736 P CA 1.602 64.609 63.100 -0.155 0.000 0.880 736 P CB 0.281 31.926 31.700 -0.093 0.000 0.791 737 E N -1.157 118.980 120.200 -0.105 0.000 2.110 737 E HA -0.177 4.168 4.350 -0.009 0.000 0.193 737 E C 1.903 178.393 176.600 -0.184 0.000 0.988 737 E CA 0.776 57.129 56.400 -0.079 0.000 0.804 737 E CB -0.657 29.072 29.700 0.048 0.000 0.745 737 E HN 0.125 nan 8.360 nan 0.000 0.458 738 L N 1.349 122.362 121.223 -0.349 0.000 2.093 738 L HA -0.120 4.214 4.340 -0.009 0.000 0.208 738 L C 2.330 178.905 176.870 -0.492 0.000 1.085 738 L CA 1.605 56.067 54.840 -0.630 0.000 0.755 738 L CB -0.339 41.168 42.059 -0.920 0.000 0.904 738 L HN -0.080 nan 8.230 nan 0.000 0.435 739 R N -0.765 119.421 120.500 -0.522 0.000 2.073 739 R HA -0.238 4.096 4.340 -0.009 0.000 0.234 739 R C 2.380 178.492 176.300 -0.312 0.000 1.134 739 R CA 1.947 57.643 56.100 -0.673 0.000 0.952 739 R CB -0.339 29.499 30.300 -0.770 0.000 0.850 739 R HN 0.632 nan 8.270 nan 0.000 0.433 740 Q N 0.464 120.127 119.800 -0.229 0.000 2.135 740 Q HA -0.175 4.159 4.340 -0.009 0.000 0.204 740 Q C 2.034 177.977 176.000 -0.095 0.000 0.981 740 Q CA 1.841 57.561 55.803 -0.137 0.000 0.856 740 Q CB -0.103 28.559 28.738 -0.127 0.000 0.902 740 Q HN 0.477 nan 8.270 nan 0.000 0.425 741 I N 0.133 120.642 120.570 -0.101 0.000 2.179 741 I HA -0.271 3.893 4.170 -0.009 0.000 0.242 741 I C 1.967 178.101 176.117 0.028 0.000 1.088 741 I CA 0.765 62.045 61.300 -0.034 0.000 1.357 741 I CB -0.193 37.768 38.000 -0.064 0.000 1.051 741 I HN 0.248 nan 8.210 nan 0.000 0.409 742 I N 0.728 121.315 120.570 0.028 0.000 2.454 742 I HA -0.232 3.932 4.170 -0.009 0.000 0.254 742 I C 2.362 178.580 176.117 0.167 0.000 1.156 742 I CA 1.522 62.911 61.300 0.147 0.000 1.433 742 I CB -0.504 37.672 38.000 0.293 0.000 1.082 742 I HN 0.211 nan 8.210 nan 0.000 0.432 743 E N -0.361 119.912 120.200 0.123 0.000 2.158 743 E HA -0.178 4.166 4.350 -0.009 0.000 0.191 743 E C 2.082 178.746 176.600 0.106 0.000 0.982 743 E CA 0.589 57.060 56.400 0.117 0.000 0.823 743 E CB -0.115 29.630 29.700 0.074 0.000 0.766 743 E HN 0.587 nan 8.360 nan 0.000 0.468 744 Q N 0.559 120.402 119.800 0.072 0.000 2.119 744 Q HA -0.087 4.248 4.340 -0.009 0.000 0.201 744 Q C 2.287 178.451 176.000 0.273 0.000 0.972 744 Q CA 0.882 56.728 55.803 0.071 0.000 0.847 744 Q CB 0.020 28.673 28.738 -0.140 0.000 0.903 744 Q HN 0.290 nan 8.270 nan 0.000 0.433 745 L N -0.121 121.277 121.223 0.293 0.000 2.056 745 L HA -0.143 4.191 4.340 -0.009 0.000 0.207 745 L C 2.282 179.336 176.870 0.307 0.000 1.078 745 L CA 0.892 55.939 54.840 0.345 0.000 0.749 745 L CB -0.210 41.977 42.059 0.214 0.000 0.901 745 L HN 0.130 nan 8.230 nan 0.000 0.433 746 S N -0.574 115.260 115.700 0.222 0.000 2.436 746 S HA -0.096 4.369 4.470 -0.009 0.000 0.228 746 S C 1.991 176.688 174.600 0.161 0.000 1.014 746 S CA 1.199 59.508 58.200 0.182 0.000 0.950 746 S CB -0.049 63.238 63.200 0.146 0.000 0.784 746 S HN 0.564 nan 8.310 nan 0.000 0.504 747 S N 0.471 116.270 115.700 0.165 0.000 2.593 747 S HA 0.366 4.830 4.470 -0.009 0.000 0.217 747 S C 1.430 176.116 174.600 0.142 0.000 0.966 747 S CA 0.538 58.821 58.200 0.137 0.000 0.914 747 S CB -0.021 63.255 63.200 0.127 0.000 0.776 747 S HN 0.714 nan 8.310 nan 0.000 0.523 748 G N 0.818 109.733 108.800 0.192 0.000 2.132 748 G HA2 -0.314 3.641 3.960 -0.009 0.000 0.234 748 G HA3 -0.314 3.641 3.960 -0.009 0.000 0.234 748 G C 0.227 175.214 174.900 0.146 0.000 0.989 748 G CA 0.146 45.346 45.100 0.168 0.000 0.676 748 G HN 0.540 nan 8.290 nan 0.000 0.522 749 F N 0.342 120.286 119.950 -0.009 0.000 2.154 749 F HA 0.125 4.647 4.527 -0.009 0.000 0.301 749 F C 1.867 177.458 175.800 -0.349 0.000 1.087 749 F CA 2.132 60.001 58.000 -0.220 0.000 1.274 749 F CB -0.096 38.688 39.000 -0.360 0.000 1.009 749 F HN 0.179 nan 8.300 nan 0.000 0.485 750 F N -0.445 119.691 119.950 0.311 0.000 2.695 750 F HA 0.209 4.731 4.527 -0.009 0.000 0.303 750 F C 0.683 176.605 175.800 0.203 0.000 1.091 750 F CA 0.297 58.433 58.000 0.227 0.000 1.300 750 F CB -0.126 39.025 39.000 0.251 0.000 1.071 750 F HN -0.034 nan 8.300 nan 0.000 0.578 751 S N -1.804 114.050 115.700 0.256 0.000 2.440 751 S HA 0.330 4.794 4.470 -0.009 0.000 0.142 751 S C -2.478 172.138 174.600 0.026 0.000 1.578 751 S CA -1.070 57.194 58.200 0.106 0.000 1.260 751 S CB 1.049 64.241 63.200 -0.013 0.000 1.407 751 S HN -0.187 nan 8.310 nan 0.000 0.392 752 P HA -0.122 nan 4.420 nan 0.000 0.214 752 P C 1.126 178.411 177.300 -0.025 0.000 1.163 752 P CA 1.437 64.511 63.100 -0.043 0.000 0.889 752 P CB 0.084 31.735 31.700 -0.080 0.000 0.790 753 K N -1.230 119.157 120.400 -0.022 0.000 2.366 753 K HA -0.018 4.297 4.320 -0.009 0.000 0.198 753 K C 0.773 177.366 176.600 -0.012 0.000 1.044 753 K CA 0.764 57.041 56.287 -0.015 0.000 0.973 753 K CB -0.001 32.492 32.500 -0.012 0.000 0.767 753 K HN 0.280 nan 8.250 nan 0.000 0.475 754 Q N -0.287 119.503 119.800 -0.018 0.000 3.122 754 Q HA 0.138 4.472 4.340 -0.009 0.000 0.282 754 Q C -2.314 173.667 176.000 -0.032 0.000 0.947 754 Q CA -1.623 54.163 55.803 -0.029 0.000 0.812 754 Q CB 1.566 30.277 28.738 -0.046 0.000 1.333 754 Q HN -0.088 nan 8.270 nan 0.000 0.430 755 P HA -0.241 nan 4.420 nan 0.000 0.218 755 P C 0.535 177.861 177.300 0.042 0.000 1.154 755 P CA 1.602 64.720 63.100 0.030 0.000 0.872 755 P CB 0.216 31.934 31.700 0.031 0.000 0.790 756 D N -1.717 118.694 120.400 0.018 0.000 2.388 756 D HA 0.011 4.646 4.640 -0.009 0.000 0.221 756 D C 1.499 177.789 176.300 -0.016 0.000 1.133 756 D CA -0.313 53.707 54.000 0.033 0.000 0.831 756 D CB -0.851 39.974 40.800 0.042 0.000 0.962 756 D HN 0.027 nan 8.370 nan 0.000 0.502 757 L N -0.172 120.967 121.223 -0.141 0.000 2.089 757 L HA -0.059 4.275 4.340 -0.009 0.000 0.213 757 L C 0.944 177.586 176.870 -0.379 0.000 1.079 757 L CA 1.662 56.301 54.840 -0.334 0.000 0.758 757 L CB -0.548 41.117 42.059 -0.656 0.000 0.891 757 L HN 0.022 nan 8.230 nan 0.000 0.433 758 F N -0.669 119.340 119.950 0.099 0.000 2.750 758 F HA 0.160 4.681 4.527 -0.009 0.000 0.297 758 F C 1.748 177.601 175.800 0.090 0.000 1.138 758 F CA -0.307 57.741 58.000 0.081 0.000 1.346 758 F CB -0.237 38.799 39.000 0.061 0.000 0.965 758 F HN 0.088 nan 8.300 nan 0.000 0.514 759 K N -0.487 120.034 120.400 0.202 0.000 2.148 759 K HA -0.143 4.172 4.320 -0.009 0.000 0.204 759 K C 0.901 177.606 176.600 0.175 0.000 1.050 759 K CA 1.708 58.096 56.287 0.169 0.000 0.942 759 K CB -0.173 32.402 32.500 0.125 0.000 0.724 759 K HN 0.117 nan 8.250 nan 0.000 0.446 760 D N 1.489 122.008 120.400 0.199 0.000 2.117 760 D HA -0.087 4.547 4.640 -0.009 0.000 0.198 760 D C 2.104 178.507 176.300 0.172 0.000 0.982 760 D CA 1.150 55.279 54.000 0.214 0.000 0.828 760 D CB -0.106 40.866 40.800 0.287 0.000 0.967 760 D HN 0.297 nan 8.370 nan 0.000 0.464 761 I N 0.702 121.372 120.570 0.168 0.000 2.142 761 I HA -0.227 3.937 4.170 -0.009 0.000 0.240 761 I C 2.550 178.694 176.117 0.044 0.000 1.078 761 I CA 0.684 62.038 61.300 0.090 0.000 1.343 761 I CB -0.316 37.734 38.000 0.082 0.000 1.046 761 I HN -0.129 nan 8.210 nan 0.000 0.405 762 V N 1.079 121.047 119.914 0.090 0.000 2.287 762 V HA -0.352 3.762 4.120 -0.009 0.000 0.248 762 V C 2.211 178.302 176.094 -0.006 0.000 1.053 762 V CA 2.538 64.878 62.300 0.066 0.000 1.027 762 V CB -1.029 30.860 31.823 0.111 0.000 0.646 762 V HN 0.534 nan 8.190 nan 0.000 0.447 763 N N -0.638 118.091 118.700 0.049 0.000 2.104 763 N HA -0.247 4.487 4.740 -0.009 0.000 0.190 763 N C 2.026 177.495 175.510 -0.067 0.000 1.024 763 N CA 1.576 54.677 53.050 0.085 0.000 0.853 763 N CB -0.125 38.494 38.487 0.219 0.000 1.008 763 N HN 0.366 nan 8.380 nan 0.000 0.424 764 M N 0.686 120.170 119.600 -0.193 0.000 2.067 764 M HA -0.133 4.341 4.480 -0.009 0.000 0.260 764 M C 1.719 177.732 176.300 -0.478 0.000 1.069 764 M CA 1.250 56.156 55.300 -0.656 0.000 1.117 764 M CB -0.680 31.725 32.600 -0.326 0.000 1.334 764 M HN 0.208 nan 8.290 nan 0.000 0.407 765 L N 0.723 121.756 121.223 -0.318 0.000 2.042 765 L HA -0.236 4.099 4.340 -0.009 0.000 0.210 765 L C 2.478 179.035 176.870 -0.520 0.000 1.076 765 L CA 1.660 56.235 54.840 -0.442 0.000 0.749 765 L CB -1.358 40.465 42.059 -0.393 0.000 0.893 765 L HN 0.378 nan 8.230 nan 0.000 0.432 766 M N -1.870 117.486 119.600 -0.406 0.000 2.236 766 M HA -0.073 4.402 4.480 -0.009 0.000 0.266 766 M C 2.012 177.984 176.300 -0.547 0.000 1.070 766 M CA 1.399 56.404 55.300 -0.492 0.000 1.137 766 M CB -0.831 31.364 32.600 -0.675 0.000 1.378 766 M HN 0.322 nan 8.290 nan 0.000 0.426 767 H N -1.469 117.565 119.070 -0.060 0.000 2.788 767 H HA 0.210 4.760 4.556 -0.009 0.000 0.262 767 H C 0.384 175.790 175.328 0.130 0.000 0.968 767 H CA 0.670 56.748 56.048 0.050 0.000 1.218 767 H CB 0.404 30.254 29.762 0.146 0.000 1.443 767 H HN 0.461 nan 8.280 nan 0.000 0.478 768 H N -0.573 118.555 119.070 0.096 0.000 2.597 768 H HA 0.264 4.814 4.556 -0.009 0.000 0.225 768 H C -1.291 174.060 175.328 0.038 0.000 1.422 768 H CA -0.493 55.599 56.048 0.073 0.000 1.335 768 H CB 0.126 29.933 29.762 0.076 0.000 1.783 768 H HN -0.032 nan 8.280 nan 0.000 0.513 769 D N 1.873 122.259 120.400 -0.024 0.000 2.428 769 D HA 0.182 4.816 4.640 -0.009 0.000 0.221 769 D C 0.979 177.201 176.300 -0.130 0.000 1.123 769 D CA -0.502 53.457 54.000 -0.069 0.000 0.869 769 D CB 0.836 41.588 40.800 -0.080 0.000 1.032 769 D HN 0.404 nan 8.370 nan 0.000 0.506 770 R N 2.262 122.577 120.500 -0.307 0.000 2.235 770 R HA -0.017 4.317 4.340 -0.009 0.000 0.213 770 R C 0.598 176.375 176.300 -0.871 0.000 1.059 770 R CA 0.845 56.566 56.100 -0.630 0.000 0.997 770 R CB 0.119 29.859 30.300 -0.934 0.000 0.884 770 R HN 0.393 nan 8.270 nan 0.000 0.462 771 F N 1.506 121.401 119.950 -0.091 0.000 2.639 771 F HA 0.185 4.706 4.527 -0.009 0.000 0.302 771 F C 0.119 175.774 175.800 -0.240 0.000 1.097 771 F CA -0.817 57.111 58.000 -0.120 0.000 1.294 771 F CB 0.049 39.034 39.000 -0.026 0.000 1.027 771 F HN -0.139 nan 8.300 nan 0.000 0.550 772 K N -0.668 119.509 120.400 -0.372 0.000 4.116 772 K HA -0.210 4.105 4.320 -0.009 0.000 0.277 772 K C 0.565 177.008 176.600 -0.262 0.000 0.835 772 K CA 0.316 56.196 56.287 -0.679 0.000 0.740 772 K CB -2.036 29.773 32.500 -1.152 0.000 1.714 772 K HN 0.271 nan 8.250 nan 0.000 0.433 773 V N 0.877 120.718 119.914 -0.122 0.000 2.287 773 V HA -0.254 3.861 4.120 -0.009 0.000 0.248 773 V C 2.250 178.454 176.094 0.182 0.000 1.053 773 V CA 2.255 64.564 62.300 0.015 0.000 1.027 773 V CB -0.638 31.191 31.823 0.011 0.000 0.646 773 V HN 0.632 nan 8.190 nan 0.000 0.447 774 F N 0.288 120.230 119.950 -0.014 0.000 2.171 774 F HA -0.200 4.321 4.527 -0.009 0.000 0.300 774 F C 2.539 178.123 175.800 -0.360 0.000 1.090 774 F CA 0.660 58.602 58.000 -0.098 0.000 1.293 774 F CB -0.412 38.536 39.000 -0.086 0.000 1.013 774 F HN 0.202 nan 8.300 nan 0.000 0.486 775 A N -0.400 122.233 122.820 -0.312 0.000 2.024 775 A HA -0.210 4.105 4.320 -0.009 0.000 0.220 775 A C 1.501 179.080 177.584 -0.008 0.000 1.164 775 A CA 1.994 53.782 52.037 -0.414 0.000 0.643 775 A CB -0.478 18.405 19.000 -0.193 0.000 0.806 775 A HN 0.245 nan 8.150 nan 0.000 0.451 776 D N -2.919 117.530 120.400 0.081 0.000 2.369 776 D HA 0.086 4.720 4.640 -0.009 0.000 0.211 776 D C 1.190 177.659 176.300 0.282 0.000 1.077 776 D CA -0.018 54.104 54.000 0.203 0.000 0.842 776 D CB -0.127 40.792 40.800 0.199 0.000 0.947 776 D HN 0.571 nan 8.370 nan 0.000 0.509 777 Y N 2.050 122.439 120.300 0.149 0.000 2.081 777 Y HA -0.249 4.295 4.550 -0.009 0.000 0.280 777 Y C 2.194 178.193 175.900 0.165 0.000 1.163 777 Y CA 2.022 60.223 58.100 0.168 0.000 1.135 777 Y CB 0.113 38.645 38.460 0.119 0.000 0.970 777 Y HN -0.095 nan 8.280 nan 0.000 0.498 778 E N -0.136 120.200 120.200 0.225 0.000 2.058 778 E HA -0.264 4.081 4.350 -0.009 0.000 0.194 778 E C 2.251 178.857 176.600 0.010 0.000 0.997 778 E CA 1.554 58.008 56.400 0.089 0.000 0.801 778 E CB -0.185 29.647 29.700 0.220 0.000 0.746 778 E HN 0.604 nan 8.360 nan 0.000 0.450 779 E N -0.710 119.563 120.200 0.121 0.000 2.150 779 E HA -0.201 4.143 4.350 -0.009 0.000 0.193 779 E C 1.802 178.431 176.600 0.048 0.000 0.985 779 E CA 0.668 57.154 56.400 0.143 0.000 0.814 779 E CB -0.056 29.806 29.700 0.270 0.000 0.752 779 E HN 0.293 nan 8.360 nan 0.000 0.466 780 Y N 0.960 121.133 120.300 -0.212 0.000 2.114 780 Y HA -0.235 4.309 4.550 -0.009 0.000 0.284 780 Y C 2.207 177.733 175.900 -0.624 0.000 1.143 780 Y CA 1.662 59.320 58.100 -0.736 0.000 1.135 780 Y CB -0.631 37.438 38.460 -0.651 0.000 0.980 780 Y HN -0.017 nan 8.280 nan 0.000 0.499 781 V N -0.954 118.618 119.914 -0.570 0.000 2.343 781 V HA -0.233 3.881 4.120 -0.009 0.000 0.247 781 V C 2.151 178.013 176.094 -0.386 0.000 1.051 781 V CA 2.308 64.279 62.300 -0.548 0.000 1.036 781 V CB -0.880 30.694 31.823 -0.416 0.000 0.654 781 V HN 0.273 nan 8.190 nan 0.000 0.451 782 K N -0.421 119.824 120.400 -0.259 0.000 2.097 782 K HA -0.113 4.201 4.320 -0.009 0.000 0.206 782 K C 2.308 178.805 176.600 -0.171 0.000 1.049 782 K CA 1.780 57.975 56.287 -0.154 0.000 0.933 782 K CB -0.737 31.724 32.500 -0.065 0.000 0.717 782 K HN 0.662 nan 8.250 nan 0.000 0.442 783 C N 1.040 120.203 119.300 -0.229 0.000 2.435 783 C HA -0.049 4.405 4.460 -0.009 0.000 0.279 783 C C 2.448 177.211 174.990 -0.378 0.000 1.321 783 C CA 0.616 59.514 59.018 -0.200 0.000 1.752 783 C CB -0.590 27.053 27.740 -0.161 0.000 1.959 783 C HN 0.435 nan 8.230 nan 0.000 0.500 784 Q N 0.476 119.922 119.800 -0.589 0.000 2.224 784 Q HA -0.130 4.204 4.340 -0.009 0.000 0.203 784 Q C 1.989 177.764 176.000 -0.376 0.000 0.970 784 Q CA 1.409 56.821 55.803 -0.653 0.000 0.865 784 Q CB -0.295 27.817 28.738 -1.042 0.000 0.922 784 Q HN 0.768 nan 8.270 nan 0.000 0.445 785 E N 0.172 120.218 120.200 -0.257 0.000 2.107 785 E HA -0.094 4.250 4.350 -0.009 0.000 0.191 785 E C 1.996 178.537 176.600 -0.098 0.000 0.982 785 E CA 0.342 56.658 56.400 -0.140 0.000 0.809 785 E CB 0.012 29.655 29.700 -0.095 0.000 0.756 785 E HN 0.235 nan 8.360 nan 0.000 0.459 786 R N 0.602 121.043 120.500 -0.097 0.000 2.148 786 R HA -0.068 4.266 4.340 -0.009 0.000 0.227 786 R C 2.340 178.626 176.300 -0.023 0.000 1.103 786 R CA 0.763 56.874 56.100 0.019 0.000 0.983 786 R CB -0.242 30.139 30.300 0.134 0.000 0.874 786 R HN 0.085 nan 8.270 nan 0.000 0.451 787 V N 0.459 120.159 119.914 -0.357 0.000 2.323 787 V HA -0.189 3.925 4.120 -0.009 0.000 0.244 787 V C 2.186 178.266 176.094 -0.023 0.000 1.041 787 V CA 1.798 63.802 62.300 -0.493 0.000 1.025 787 V CB -0.307 31.079 31.823 -0.727 0.000 0.656 787 V HN 0.258 nan 8.190 nan 0.000 0.451 788 S N 0.291 115.939 115.700 -0.086 0.000 2.382 788 S HA -0.166 4.299 4.470 -0.009 0.000 0.228 788 S C 2.195 176.849 174.600 0.089 0.000 1.027 788 S CA 1.388 59.575 58.200 -0.022 0.000 0.991 788 S CB -0.454 62.702 63.200 -0.073 0.000 0.823 788 S HN 0.642 nan 8.310 nan 0.000 0.469 789 A N 1.298 124.172 122.820 0.090 0.000 1.902 789 A HA 0.033 4.348 4.320 -0.009 0.000 0.217 789 A C 2.082 179.782 177.584 0.194 0.000 1.181 789 A CA 1.019 53.131 52.037 0.125 0.000 0.623 789 A CB -0.670 18.392 19.000 0.104 0.000 0.818 789 A HN 0.464 nan 8.150 nan 0.000 0.443 790 L N -2.030 119.373 121.223 0.300 0.000 2.141 790 L HA -0.139 4.195 4.340 -0.009 0.000 0.209 790 L C 2.446 179.607 176.870 0.485 0.000 1.094 790 L CA 1.556 56.651 54.840 0.426 0.000 0.763 790 L CB -0.359 42.066 42.059 0.609 0.000 0.908 790 L HN 0.583 nan 8.230 nan 0.000 0.437 791 Y N 1.034 121.475 120.300 0.234 0.000 2.274 791 Y HA -0.250 4.295 4.550 -0.008 0.000 0.290 791 Y C 2.340 178.172 175.900 -0.113 0.000 1.145 791 Y CA 1.561 59.538 58.100 -0.205 0.000 1.203 791 Y CB -0.061 38.086 38.460 -0.521 0.000 0.984 791 Y HN 0.060 nan 8.280 nan 0.000 0.533 792 K N -0.119 120.307 120.400 0.043 0.000 2.515 792 K HA -0.113 4.202 4.320 -0.009 0.000 0.196 792 K C 0.393 176.973 176.600 -0.033 0.000 1.038 792 K CA 0.634 56.927 56.287 0.009 0.000 0.967 792 K CB -0.088 32.471 32.500 0.099 0.000 0.780 792 K HN 0.059 nan 8.250 nan 0.000 0.483 793 N N 0.544 119.242 118.700 -0.004 0.000 2.976 793 N HA 0.130 4.864 4.740 -0.009 0.000 0.255 793 N C -2.443 173.069 175.510 0.004 0.000 1.312 793 N CA -2.081 50.977 53.050 0.013 0.000 0.897 793 N CB 1.082 39.612 38.487 0.071 0.000 1.184 793 N HN -0.189 nan 8.380 nan 0.000 0.497 794 P HA -0.238 nan 4.420 nan 0.000 0.219 794 P C 1.413 178.721 177.300 0.014 0.000 1.158 794 P CA 1.381 64.407 63.100 -0.124 0.000 0.895 794 P CB 0.314 31.920 31.700 -0.156 0.000 0.792 795 R N -0.184 120.327 120.500 0.018 0.000 2.073 795 R HA -0.168 4.166 4.340 -0.009 0.000 0.234 795 R C 1.983 178.329 176.300 0.076 0.000 1.134 795 R CA 1.520 57.644 56.100 0.040 0.000 0.952 795 R CB -0.405 29.910 30.300 0.025 0.000 0.850 795 R HN 0.112 nan 8.270 nan 0.000 0.433 796 E N -0.098 120.158 120.200 0.093 0.000 2.158 796 E HA -0.201 4.143 4.350 -0.009 0.000 0.191 796 E C 1.619 178.306 176.600 0.146 0.000 0.982 796 E CA 0.618 57.078 56.400 0.101 0.000 0.823 796 E CB -0.443 29.312 29.700 0.092 0.000 0.766 796 E HN 0.531 nan 8.360 nan 0.000 0.468 797 W N 2.227 123.534 121.300 0.012 0.000 2.363 797 W HA -0.145 4.509 4.660 -0.011 0.000 0.296 797 W C 1.423 177.959 176.519 0.029 0.000 1.212 797 W CA 1.862 59.234 57.345 0.045 0.000 1.260 797 W CB -0.327 29.153 29.460 0.034 0.000 1.131 797 W HN -0.001 nan 8.180 nan 0.000 0.530 798 T N 1.195 115.914 114.554 0.275 0.000 2.857 798 T HA -0.115 4.230 4.350 -0.009 0.000 0.266 798 T C 1.858 176.585 174.700 0.045 0.000 1.048 798 T CA 1.475 63.667 62.100 0.154 0.000 1.139 798 T CB -0.196 68.737 68.868 0.109 0.000 0.874 798 T HN 0.161 nan 8.240 nan 0.000 0.455 799 R N 0.519 121.046 120.500 0.046 0.000 2.115 799 R HA 0.120 4.455 4.340 -0.009 0.000 0.230 799 R C 2.450 178.748 176.300 -0.003 0.000 1.111 799 R CA 1.039 57.160 56.100 0.036 0.000 0.976 799 R CB -0.310 30.015 30.300 0.042 0.000 0.870 799 R HN 0.364 nan 8.270 nan 0.000 0.445 800 M N 0.489 120.053 119.600 -0.059 0.000 2.200 800 M HA -0.116 4.358 4.480 -0.009 0.000 0.265 800 M C 1.911 178.128 176.300 -0.139 0.000 1.066 800 M CA 1.302 56.526 55.300 -0.127 0.000 1.127 800 M CB 0.211 32.671 32.600 -0.233 0.000 1.379 800 M HN -0.034 nan 8.290 nan 0.000 0.420 801 V N 1.013 120.832 119.914 -0.158 0.000 2.287 801 V HA -0.316 3.798 4.120 -0.009 0.000 0.248 801 V C 2.236 178.317 176.094 -0.021 0.000 1.053 801 V CA 2.023 64.258 62.300 -0.108 0.000 1.027 801 V CB -0.622 31.172 31.823 -0.048 0.000 0.646 801 V HN 0.514 nan 8.190 nan 0.000 0.447 802 I N -0.591 119.986 120.570 0.012 0.000 2.264 802 I HA -0.278 3.887 4.170 -0.009 0.000 0.248 802 I C 2.702 178.868 176.117 0.082 0.000 1.111 802 I CA 1.548 62.897 61.300 0.082 0.000 1.382 802 I CB -0.372 37.718 38.000 0.151 0.000 1.060 802 I HN 0.191 nan 8.210 nan 0.000 0.418 803 R N 1.010 121.536 120.500 0.044 0.000 2.120 803 R HA -0.112 4.222 4.340 -0.009 0.000 0.234 803 R C 2.082 178.413 176.300 0.050 0.000 1.123 803 R CA 1.340 57.463 56.100 0.039 0.000 0.975 803 R CB -0.229 30.076 30.300 0.009 0.000 0.866 803 R HN 0.429 nan 8.270 nan 0.000 0.446 804 N N -0.189 118.536 118.700 0.042 0.000 2.109 804 N HA -0.100 4.634 4.740 -0.009 0.000 0.188 804 N C 1.804 177.371 175.510 0.095 0.000 1.034 804 N CA 1.517 54.614 53.050 0.078 0.000 0.846 804 N CB -0.048 38.466 38.487 0.046 0.000 1.010 804 N HN 0.165 nan 8.380 nan 0.000 0.425 805 I N 1.629 122.246 120.570 0.077 0.000 2.208 805 I HA -0.253 3.911 4.170 -0.009 0.000 0.245 805 I C 2.393 178.562 176.117 0.086 0.000 1.097 805 I CA 0.930 62.280 61.300 0.084 0.000 1.363 805 I CB -0.313 37.730 38.000 0.071 0.000 1.051 805 I HN 0.105 nan 8.210 nan 0.000 0.413 806 A N 0.247 123.118 122.820 0.084 0.000 2.067 806 A HA -0.152 4.162 4.320 -0.009 0.000 0.219 806 A C 2.063 179.687 177.584 0.066 0.000 1.158 806 A CA 1.976 54.055 52.037 0.070 0.000 0.661 806 A CB -0.796 18.250 19.000 0.076 0.000 0.801 806 A HN 0.540 nan 8.150 nan 0.000 0.452 807 T N -3.032 111.574 114.554 0.087 0.000 3.129 807 T HA 0.172 4.517 4.350 -0.009 0.000 0.267 807 T C 1.139 175.934 174.700 0.159 0.000 1.018 807 T CA 0.631 62.787 62.100 0.093 0.000 0.903 807 T CB -0.186 68.732 68.868 0.084 0.000 1.067 807 T HN 0.475 nan 8.240 nan 0.000 0.549 808 S N 0.131 115.943 115.700 0.186 0.000 2.593 808 S HA 0.267 4.732 4.470 -0.009 0.000 0.217 808 S C 2.183 176.928 174.600 0.242 0.000 0.966 808 S CA 0.225 58.615 58.200 0.317 0.000 0.914 808 S CB -0.580 62.772 63.200 0.254 0.000 0.776 808 S HN 0.515 nan 8.310 nan 0.000 0.523 809 G N 2.759 111.621 108.800 0.103 0.000 2.469 809 G HA2 -0.296 3.659 3.960 -0.009 0.000 0.220 809 G HA3 -0.296 3.659 3.960 -0.009 0.000 0.220 809 G C 1.321 176.185 174.900 -0.060 0.000 1.136 809 G CA 1.043 46.168 45.100 0.042 0.000 0.759 809 G HN 0.608 nan 8.290 nan 0.000 0.562 810 K N -0.133 120.123 120.400 -0.240 0.000 2.211 810 K HA -0.051 4.263 4.320 -0.009 0.000 0.204 810 K C 1.228 177.472 176.600 -0.593 0.000 1.047 810 K CA 0.775 56.763 56.287 -0.499 0.000 0.935 810 K CB -0.273 31.750 32.500 -0.795 0.000 0.728 810 K HN 0.406 nan 8.250 nan 0.000 0.452 811 F N 0.949 120.926 119.950 0.045 0.000 2.693 811 F HA 0.125 4.646 4.527 -0.010 0.000 0.303 811 F C 0.793 176.637 175.800 0.074 0.000 1.143 811 F CA -0.496 57.538 58.000 0.057 0.000 1.389 811 F CB 0.325 39.355 39.000 0.051 0.000 1.060 811 F HN -0.119 nan 8.300 nan 0.000 0.535 812 S N 0.237 116.011 115.700 0.122 0.000 2.545 812 S HA 0.095 4.560 4.470 -0.009 0.000 0.275 812 S C 1.416 176.089 174.600 0.122 0.000 1.299 812 S CA -0.272 58.002 58.200 0.123 0.000 1.048 812 S CB 0.850 64.094 63.200 0.074 0.000 0.938 812 S HN 0.334 nan 8.310 nan 0.000 0.496 813 S N 3.266 119.063 115.700 0.162 0.000 2.507 813 S HA -0.077 4.388 4.470 -0.009 0.000 0.235 813 S C 0.916 175.556 174.600 0.067 0.000 0.988 813 S CA 0.669 58.977 58.200 0.181 0.000 0.944 813 S CB -0.309 63.064 63.200 0.289 0.000 0.762 813 S HN 0.790 nan 8.310 nan 0.000 0.526 814 D N 1.816 122.244 120.400 0.048 0.000 2.149 814 D HA -0.059 4.575 4.640 -0.009 0.000 0.201 814 D C 2.135 178.433 176.300 -0.003 0.000 0.972 814 D CA 0.688 54.696 54.000 0.012 0.000 0.835 814 D CB -0.293 40.514 40.800 0.011 0.000 0.966 814 D HN 0.291 nan 8.370 nan 0.000 0.476 815 R N 0.978 121.478 120.500 0.000 0.000 2.066 815 R HA -0.085 4.250 4.340 -0.009 0.000 0.232 815 R C 1.873 178.160 176.300 -0.021 0.000 1.131 815 R CA 1.388 57.475 56.100 -0.022 0.000 0.955 815 R CB -0.823 29.450 30.300 -0.045 0.000 0.851 815 R HN 0.098 nan 8.270 nan 0.000 0.432 816 T N 2.260 116.824 114.554 0.016 0.000 2.684 816 T HA -0.125 4.219 4.350 -0.009 0.000 0.267 816 T C 1.929 176.644 174.700 0.026 0.000 1.036 816 T CA 1.411 63.544 62.100 0.057 0.000 1.148 816 T CB -0.126 68.853 68.868 0.185 0.000 0.863 816 T HN 0.106 nan 8.240 nan 0.000 0.436 817 I N 1.658 122.160 120.570 -0.114 0.000 2.315 817 I HA -0.065 4.099 4.170 -0.009 0.000 0.248 817 I C 2.895 178.970 176.117 -0.070 0.000 1.117 817 I CA 0.867 62.057 61.300 -0.184 0.000 1.404 817 I CB -1.618 36.262 38.000 -0.200 0.000 1.071 817 I HN 0.200 nan 8.210 nan 0.000 0.419 818 A N 0.066 122.861 122.820 -0.041 0.000 1.972 818 A HA -0.215 4.099 4.320 -0.009 0.000 0.219 818 A C 2.232 179.778 177.584 -0.063 0.000 1.169 818 A CA 1.289 53.309 52.037 -0.027 0.000 0.635 818 A CB -0.478 18.511 19.000 -0.019 0.000 0.810 818 A HN 0.513 nan 8.150 nan 0.000 0.446 819 Q N -2.057 117.686 119.800 -0.096 0.000 2.137 819 Q HA -0.110 4.225 4.340 -0.009 0.000 0.198 819 Q C 1.818 177.657 176.000 -0.268 0.000 0.960 819 Q CA 1.328 57.035 55.803 -0.160 0.000 0.847 819 Q CB -0.230 28.401 28.738 -0.179 0.000 0.915 819 Q HN 0.817 nan 8.270 nan 0.000 0.448 820 Y N 0.590 120.614 120.300 -0.460 0.000 2.145 820 Y HA -0.241 4.303 4.550 -0.010 0.000 0.286 820 Y C 2.460 177.814 175.900 -0.911 0.000 1.145 820 Y CA 1.289 58.869 58.100 -0.867 0.000 1.148 820 Y CB -0.357 37.308 38.460 -1.325 0.000 0.981 820 Y HN 0.140 nan 8.280 nan 0.000 0.507 821 A N 0.324 122.949 122.820 -0.326 0.000 1.883 821 A HA -0.216 4.098 4.320 -0.009 0.000 0.217 821 A C 2.256 179.867 177.584 0.044 0.000 1.186 821 A CA 1.975 54.059 52.037 0.080 0.000 0.624 821 A CB -0.506 18.605 19.000 0.185 0.000 0.822 821 A HN 0.409 nan 8.150 nan 0.000 0.444 822 R N -0.578 119.903 120.500 -0.031 0.000 2.075 822 R HA -0.030 4.304 4.340 -0.009 0.000 0.226 822 R C 1.660 177.940 176.300 -0.033 0.000 1.114 822 R CA 1.435 57.526 56.100 -0.015 0.000 0.972 822 R CB -0.220 30.065 30.300 -0.026 0.000 0.869 822 R HN 0.672 nan 8.270 nan 0.000 0.437 823 E N -0.343 119.797 120.200 -0.100 0.000 2.472 823 E HA 0.108 4.453 4.350 -0.009 0.000 0.196 823 E C 1.356 177.907 176.600 -0.082 0.000 1.033 823 E CA 0.375 56.720 56.400 -0.091 0.000 0.886 823 E CB 0.531 30.150 29.700 -0.134 0.000 0.944 823 E HN 0.324 nan 8.360 nan 0.000 0.492 824 I N -1.263 119.230 120.570 -0.128 0.000 4.046 824 I HA 0.037 4.201 4.170 -0.009 0.000 0.285 824 I C 1.220 177.479 176.117 0.238 0.000 1.183 824 I CA -0.083 61.192 61.300 -0.041 0.000 1.337 824 I CB 0.286 38.105 38.000 -0.303 0.000 1.478 824 I HN 0.108 nan 8.210 nan 0.000 0.452 825 W N 1.597 122.995 121.300 0.163 0.000 2.737 825 W HA 0.353 5.008 4.660 -0.009 0.000 0.262 825 W C 1.477 178.038 176.519 0.070 0.000 1.282 825 W CA 0.777 58.200 57.345 0.130 0.000 1.386 825 W CB -0.981 28.543 29.460 0.107 0.000 1.099 825 W HN 0.307 nan 8.180 nan 0.000 0.621 826 G N 1.239 110.187 108.800 0.245 0.000 2.256 826 G HA2 -0.097 3.857 3.960 -0.009 0.000 0.272 826 G HA3 -0.097 3.857 3.960 -0.009 0.000 0.272 826 G C -0.354 174.623 174.900 0.128 0.000 1.076 826 G CA 0.210 45.396 45.100 0.142 0.000 0.882 826 G HN 0.416 nan 8.290 nan 0.000 0.497 827 V N -4.246 115.762 119.914 0.156 0.000 2.925 827 V HA 0.905 5.019 4.120 -0.009 0.000 0.311 827 V C -0.376 175.778 176.094 0.101 0.000 1.104 827 V CA -1.700 60.672 62.300 0.120 0.000 0.954 827 V CB 2.340 34.244 31.823 0.134 0.000 1.022 827 V HN 0.132 nan 8.190 nan 0.000 0.427 828 E N 4.000 124.242 120.200 0.070 0.000 2.174 828 E HA 0.516 4.860 4.350 -0.009 0.000 0.282 828 E C -2.496 174.140 176.600 0.060 0.000 0.992 828 E CA -1.766 54.668 56.400 0.057 0.000 0.803 828 E CB 1.922 31.648 29.700 0.043 0.000 1.090 828 E HN 0.765 nan 8.360 nan 0.000 0.396 829 P HA 0.111 nan 4.420 nan 0.000 0.274 829 P C -0.517 176.812 177.300 0.048 0.000 1.231 829 P CA -0.328 62.805 63.100 0.055 0.000 0.790 829 P CB 1.105 32.833 31.700 0.047 0.000 0.951 830 S N 1.218 116.950 115.700 0.052 0.000 2.536 830 S HA 0.377 4.842 4.470 -0.009 0.000 0.287 830 S C 0.377 175.004 174.600 0.046 0.000 1.101 830 S CA -0.772 57.458 58.200 0.050 0.000 0.950 830 S CB 1.066 64.303 63.200 0.062 0.000 1.056 830 S HN 0.289 nan 8.310 nan 0.000 0.481 831 R N 2.299 122.822 120.500 0.038 0.000 2.507 831 R HA 0.210 4.544 4.340 -0.009 0.000 0.298 831 R C -0.261 176.055 176.300 0.027 0.000 0.999 831 R CA -0.036 56.085 56.100 0.035 0.000 1.082 831 R CB 0.276 30.595 30.300 0.033 0.000 1.246 831 R HN 0.673 nan 8.270 nan 0.000 0.553 832 Q N 1.219 121.035 119.800 0.027 0.000 2.293 832 Q HA 0.130 4.465 4.340 -0.009 0.000 0.263 832 Q C -0.296 175.704 176.000 -0.000 0.000 1.002 832 Q CA -0.064 55.749 55.803 0.015 0.000 0.910 832 Q CB 0.946 29.698 28.738 0.022 0.000 1.185 832 Q HN -0.223 nan 8.270 nan 0.000 0.401 833 R N 1.529 122.020 120.500 -0.014 0.000 2.585 833 R HA 0.033 4.367 4.340 -0.009 0.000 0.275 833 R C -0.540 175.728 176.300 -0.053 0.000 1.018 833 R CA -0.100 55.979 56.100 -0.034 0.000 1.072 833 R CB 0.105 30.382 30.300 -0.038 0.000 0.953 833 R HN 0.422 nan 8.270 nan 0.000 0.419 834 L N 6.079 127.257 121.223 -0.076 0.000 2.371 834 L HA 0.292 4.627 4.340 -0.009 0.000 0.272 834 L C -1.722 175.082 176.870 -0.110 0.000 1.124 834 L CA -1.965 52.795 54.840 -0.132 0.000 0.816 834 L CB 0.764 42.727 42.059 -0.159 0.000 1.129 834 L HN 0.614 nan 8.230 nan 0.000 0.448 835 P HA -0.008 nan 4.420 nan 0.000 0.208 835 P C 0.088 177.352 177.300 -0.060 0.000 1.341 835 P CA 0.644 63.696 63.100 -0.080 0.000 1.235 835 P CB -0.655 30.997 31.700 -0.080 0.000 1.764 836 A N 5.127 127.917 122.820 -0.050 0.000 6.121 836 A HA -0.189 4.125 4.320 -0.009 0.000 0.424 836 A C -1.037 176.531 177.584 -0.027 0.000 2.043 836 A CA 0.568 52.585 52.037 -0.034 0.000 1.677 836 A CB -1.920 17.067 19.000 -0.023 0.000 1.203 836 A HN 0.393 nan 8.150 nan 0.000 0.561 837 P HA 0.366 nan 4.420 nan 0.000 0.218 837 P C 0.534 177.839 177.300 0.009 0.000 1.151 837 P CA 1.970 65.074 63.100 0.007 0.000 0.850 837 P CB 0.098 31.815 31.700 0.029 0.000 0.801 838 D N 0.000 120.405 120.400 0.009 0.000 6.856 838 D HA 0.000 4.634 4.640 -0.009 0.000 0.175 838 D CA 0.000 nan 54.000 nan 0.000 0.868 838 D CB 0.000 nan 40.800 nan 0.000 0.688 838 D HN 0.000 nan 8.370 nan 0.000 0.683