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 1z62_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 XXXXXXXXGG 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 QRLPAP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 12 Q HA 0.000 nan 4.340 nan 0.000 0.214 12 Q C 0.000 175.984 176.000 -0.027 0.000 1.003 12 Q CA 0.000 55.775 55.803 -0.047 0.000 1.022 12 Q CB 0.000 28.706 28.738 -0.053 0.000 1.108 13 I N 0.308 120.868 120.570 -0.017 0.000 2.377 13 I HA 0.590 4.754 4.170 -0.010 0.000 0.293 13 I C 1.003 177.121 176.117 0.002 0.000 0.987 13 I CA -0.141 61.157 61.300 -0.004 0.000 1.185 13 I CB 1.988 39.990 38.000 0.004 0.000 1.341 13 I HN 0.407 nan 8.210 nan 0.000 0.455 14 S N 4.704 120.409 115.700 0.008 0.000 2.412 14 S HA -0.262 4.202 4.470 -0.010 0.000 0.246 14 S C 1.813 176.423 174.600 0.016 0.000 1.073 14 S CA 2.931 61.138 58.200 0.012 0.000 1.186 14 S CB -0.731 62.482 63.200 0.021 0.000 1.084 14 S HN 0.985 nan 8.310 nan 0.000 0.434 15 V N -0.005 119.926 119.914 0.029 0.000 3.140 15 V HA 0.029 4.143 4.120 -0.010 0.000 0.269 15 V C 1.962 178.070 176.094 0.024 0.000 1.149 15 V CA 1.875 64.195 62.300 0.034 0.000 1.162 15 V CB -1.133 30.719 31.823 0.047 0.000 0.756 15 V HN 0.437 nan 8.190 nan 0.000 0.523 16 R N 1.124 121.630 120.500 0.010 0.000 2.320 16 R HA 0.437 4.771 4.340 -0.010 0.000 0.211 16 R C 1.126 177.417 176.300 -0.014 0.000 0.931 16 R CA 0.542 56.642 56.100 -0.001 0.000 1.071 16 R CB 0.021 30.317 30.300 -0.007 0.000 1.025 16 R HN 0.789 nan 8.270 nan 0.000 0.495 17 G N 0.845 109.636 108.800 -0.015 0.000 2.757 17 G HA2 -0.237 3.717 3.960 -0.010 0.000 0.638 17 G HA3 -0.237 3.717 3.960 -0.010 0.000 0.638 17 G C -0.599 174.285 174.900 -0.027 0.000 1.344 17 G CA -1.004 44.079 45.100 -0.029 0.000 0.855 17 G HN 0.091 nan 8.290 nan 0.000 0.537 18 L N -0.107 121.098 121.223 -0.031 0.000 2.379 18 L HA 0.673 5.007 4.340 -0.010 0.000 0.269 18 L C 1.099 177.953 176.870 -0.027 0.000 1.084 18 L CA -0.292 54.533 54.840 -0.025 0.000 0.802 18 L CB 1.745 43.791 42.059 -0.023 0.000 1.175 18 L HN 1.203 nan 8.230 nan 0.000 0.448 19 A N 1.908 124.715 122.820 -0.021 0.000 3.232 19 A HA 0.527 4.841 4.320 -0.010 0.000 0.312 19 A C 0.614 178.191 177.584 -0.011 0.000 1.185 19 A CA -0.377 51.650 52.037 -0.018 0.000 1.011 19 A CB -0.513 18.475 19.000 -0.019 0.000 1.096 19 A HN 0.811 nan 8.150 nan 0.000 0.543 20 G N -0.474 108.320 108.800 -0.010 0.000 2.562 20 G HA2 0.274 4.228 3.960 -0.010 0.000 0.233 20 G HA3 0.274 4.228 3.960 -0.010 0.000 0.233 20 G C 0.998 175.900 174.900 0.003 0.000 1.266 20 G CA 0.138 45.235 45.100 -0.004 0.000 0.852 20 G HN 0.439 nan 8.290 nan 0.000 0.581 21 V N 1.403 121.321 119.914 0.006 0.000 2.307 21 V HA -0.111 4.003 4.120 -0.010 0.000 0.245 21 V C 2.669 178.772 176.094 0.015 0.000 1.045 21 V CA 2.277 64.583 62.300 0.010 0.000 1.024 21 V CB -0.648 31.180 31.823 0.008 0.000 0.651 21 V HN 0.754 nan 8.190 nan 0.000 0.449 22 E N 0.395 120.604 120.200 0.016 0.000 2.106 22 E HA -0.156 4.188 4.350 -0.010 0.000 0.192 22 E C 2.080 178.700 176.600 0.032 0.000 0.984 22 E CA 1.241 57.655 56.400 0.023 0.000 0.806 22 E CB -0.283 29.429 29.700 0.021 0.000 0.750 22 E HN 0.581 nan 8.360 nan 0.000 0.458 23 N N -0.748 117.968 118.700 0.027 0.000 2.058 23 N HA -0.141 4.593 4.740 -0.010 0.000 0.191 23 N C 1.589 177.123 175.510 0.039 0.000 1.037 23 N CA 1.267 54.337 53.050 0.034 0.000 0.848 23 N CB -0.089 38.402 38.487 0.007 0.000 1.021 23 N HN -0.030 nan 8.380 nan 0.000 0.422 24 V N 0.135 120.064 119.914 0.025 0.000 2.343 24 V HA -0.234 3.880 4.120 -0.010 0.000 0.247 24 V C 2.038 178.153 176.094 0.035 0.000 1.051 24 V CA 1.962 64.277 62.300 0.024 0.000 1.036 24 V CB -0.992 30.841 31.823 0.016 0.000 0.654 24 V HN 0.422 nan 8.190 nan 0.000 0.451 25 T N -0.515 114.059 114.554 0.034 0.000 2.720 25 T HA -0.237 4.107 4.350 -0.010 0.000 0.268 25 T C 1.923 176.657 174.700 0.055 0.000 1.037 25 T CA 1.830 63.952 62.100 0.036 0.000 1.144 25 T CB -0.221 68.664 68.868 0.029 0.000 0.864 25 T HN 0.474 nan 8.240 nan 0.000 0.444 26 E N 0.690 120.930 120.200 0.068 0.000 2.072 26 E HA -0.058 4.286 4.350 -0.010 0.000 0.191 26 E C 1.931 178.609 176.600 0.130 0.000 0.985 26 E CA 0.694 57.148 56.400 0.091 0.000 0.801 26 E CB -0.497 29.264 29.700 0.102 0.000 0.750 26 E HN 0.181 nan 8.360 nan 0.000 0.452 27 L N 0.932 122.239 121.223 0.141 0.000 2.017 27 L HA -0.141 4.193 4.340 -0.010 0.000 0.208 27 L C 2.103 179.081 176.870 0.180 0.000 1.073 27 L CA 1.811 56.760 54.840 0.181 0.000 0.745 27 L CB -0.718 41.416 42.059 0.126 0.000 0.894 27 L HN 0.091 nan 8.230 nan 0.000 0.432 28 K N -0.162 120.303 120.400 0.107 0.000 2.063 28 K HA -0.215 4.099 4.320 -0.010 0.000 0.208 28 K C 1.969 178.671 176.600 0.171 0.000 1.048 28 K CA 1.829 58.170 56.287 0.091 0.000 0.928 28 K CB -0.155 32.359 32.500 0.024 0.000 0.713 28 K HN 0.444 nan 8.250 nan 0.000 0.442 29 K N 0.222 120.702 120.400 0.133 0.000 2.103 29 K HA -0.025 4.289 4.320 -0.010 0.000 0.204 29 K C 1.606 178.295 176.600 0.148 0.000 1.052 29 K CA 1.183 57.544 56.287 0.125 0.000 0.945 29 K CB -0.134 32.412 32.500 0.078 0.000 0.722 29 K HN 0.018 nan 8.250 nan 0.000 0.443 30 N N 0.608 119.407 118.700 0.165 0.000 2.331 30 N HA -0.099 4.635 4.740 -0.010 0.000 0.180 30 N C 1.549 177.209 175.510 0.250 0.000 1.019 30 N CA 0.849 53.989 53.050 0.150 0.000 0.881 30 N CB -0.212 38.371 38.487 0.159 0.000 0.972 30 N HN 0.205 nan 8.380 nan 0.000 0.435 31 F N 2.525 122.571 119.950 0.160 0.000 2.075 31 F HA -0.068 4.453 4.527 -0.010 0.000 0.297 31 F C 1.989 177.894 175.800 0.174 0.000 1.113 31 F CA 1.261 59.372 58.000 0.185 0.000 1.218 31 F CB -0.215 38.864 39.000 0.133 0.000 0.984 31 F HN -0.050 nan 8.300 nan 0.000 0.472 32 N N 0.457 119.382 118.700 0.375 0.000 2.309 32 N HA -0.166 4.568 4.740 -0.010 0.000 0.182 32 N C 2.085 177.666 175.510 0.119 0.000 1.018 32 N CA 0.705 53.892 53.050 0.228 0.000 0.876 32 N CB -0.469 38.141 38.487 0.204 0.000 0.972 32 N HN 0.337 nan 8.380 nan 0.000 0.434 33 R N 0.550 121.123 120.500 0.122 0.000 2.066 33 R HA -0.070 4.264 4.340 -0.010 0.000 0.232 33 R C 1.595 177.972 176.300 0.128 0.000 1.131 33 R CA 1.303 57.497 56.100 0.156 0.000 0.955 33 R CB -0.350 29.985 30.300 0.059 0.000 0.851 33 R HN 0.412 nan 8.270 nan 0.000 0.432 34 H N -0.118 118.991 119.070 0.065 0.000 2.389 34 H HA -0.131 4.419 4.556 -0.010 0.000 0.299 34 H C 1.877 177.144 175.328 -0.102 0.000 1.081 34 H CA 1.436 57.463 56.048 -0.035 0.000 1.345 34 H CB 0.053 29.760 29.762 -0.092 0.000 1.393 34 H HN 0.076 nan 8.280 nan 0.000 0.520 35 L N 0.004 121.206 121.223 -0.035 0.000 2.042 35 L HA -0.209 4.125 4.340 -0.010 0.000 0.210 35 L C 2.213 179.050 176.870 -0.054 0.000 1.076 35 L CA 1.956 56.742 54.840 -0.090 0.000 0.749 35 L CB -0.539 41.466 42.059 -0.091 0.000 0.893 35 L HN 0.299 nan 8.230 nan 0.000 0.432 36 H N -1.620 117.359 119.070 -0.152 0.000 2.284 36 H HA -0.087 4.463 4.556 -0.010 0.000 0.304 36 H C 1.777 176.890 175.328 -0.358 0.000 1.069 36 H CA 2.390 58.251 56.048 -0.311 0.000 1.327 36 H CB -0.268 29.199 29.762 -0.493 0.000 1.387 36 H HN 0.327 nan 8.280 nan 0.000 0.498 37 F N -0.689 119.235 119.950 -0.044 0.000 2.335 37 F HA 0.017 4.538 4.527 -0.010 0.000 0.296 37 F C 2.510 178.232 175.800 -0.130 0.000 1.091 37 F CA 1.252 59.185 58.000 -0.112 0.000 1.399 37 F CB -0.248 38.721 39.000 -0.052 0.000 1.067 37 F HN 0.171 nan 8.300 nan 0.000 0.520 38 T N -0.436 114.148 114.554 0.050 0.000 2.953 38 T HA 0.042 4.386 4.350 -0.010 0.000 0.247 38 T C 1.698 176.311 174.700 -0.144 0.000 1.029 38 T CA 0.639 62.698 62.100 -0.068 0.000 1.144 38 T CB -0.187 68.613 68.868 -0.114 0.000 0.870 38 T HN -0.067 nan 8.240 nan 0.000 0.446 39 L N 1.188 122.327 121.223 -0.139 0.000 2.446 39 L HA 0.255 4.589 4.340 -0.010 0.000 0.219 39 L C 0.676 177.454 176.870 -0.154 0.000 1.116 39 L CA 0.364 55.111 54.840 -0.154 0.000 0.844 39 L CB -0.748 41.229 42.059 -0.136 0.000 0.970 39 L HN 0.049 nan 8.230 nan 0.000 0.457 40 V N 0.232 120.037 119.914 -0.182 0.000 5.949 40 V HA -0.319 3.795 4.120 -0.010 0.000 0.287 40 V C 0.338 176.318 176.094 -0.191 0.000 0.603 40 V CA 0.854 63.017 62.300 -0.229 0.000 0.608 40 V CB -2.259 29.457 31.823 -0.178 0.000 0.259 40 V HN 0.522 nan 8.190 nan 0.000 0.742 41 K N 0.687 120.980 120.400 -0.177 0.000 2.556 41 K HA 0.617 4.931 4.320 -0.010 0.000 0.274 41 K C -0.742 175.816 176.600 -0.070 0.000 0.966 41 K CA -0.737 55.479 56.287 -0.119 0.000 0.865 41 K CB 2.601 35.033 32.500 -0.113 0.000 1.444 41 K HN 0.440 nan 8.250 nan 0.000 0.433 42 D N 0.111 120.493 120.400 -0.030 0.000 2.384 42 D HA 0.213 4.847 4.640 -0.010 0.000 0.250 42 D C 0.677 176.997 176.300 0.035 0.000 1.029 42 D CA -0.672 53.345 54.000 0.028 0.000 0.990 42 D CB 1.346 42.167 40.800 0.036 0.000 1.175 42 D HN 0.316 nan 8.370 nan 0.000 0.532 43 R N 0.408 120.958 120.500 0.083 0.000 2.211 43 R HA -0.122 4.212 4.340 -0.010 0.000 0.240 43 R C 1.303 177.662 176.300 0.098 0.000 1.144 43 R CA 1.685 57.866 56.100 0.135 0.000 0.992 43 R CB -0.763 29.629 30.300 0.152 0.000 0.869 43 R HN 0.598 nan 8.270 nan 0.000 0.462 44 N N -1.349 117.382 118.700 0.053 0.000 2.309 44 N HA -0.106 4.628 4.740 -0.010 0.000 0.182 44 N C 0.958 176.481 175.510 0.021 0.000 1.018 44 N CA 1.264 54.336 53.050 0.037 0.000 0.876 44 N CB 0.284 38.784 38.487 0.021 0.000 0.972 44 N HN 0.211 nan 8.380 nan 0.000 0.434 45 V N -3.697 116.215 119.914 -0.002 0.000 3.432 45 V HA 0.523 4.637 4.120 -0.010 0.000 0.298 45 V C 0.489 176.540 176.094 -0.071 0.000 1.464 45 V CA -0.666 61.619 62.300 -0.026 0.000 1.046 45 V CB -0.316 31.489 31.823 -0.030 0.000 0.887 45 V HN 0.050 nan 8.190 nan 0.000 0.441 46 A N 2.147 124.896 122.820 -0.119 0.000 2.498 46 A HA 0.579 4.893 4.320 -0.010 0.000 0.239 46 A C 0.743 178.124 177.584 -0.339 0.000 1.068 46 A CA 0.894 52.743 52.037 -0.314 0.000 0.766 46 A CB -0.066 18.604 19.000 -0.550 0.000 1.003 46 A HN 0.894 nan 8.150 nan 0.000 0.497 47 T N -0.242 114.117 114.554 -0.326 0.000 2.938 47 T HA 0.598 4.942 4.350 -0.010 0.000 0.285 47 T C -2.183 172.435 174.700 -0.137 0.000 1.028 47 T CA -1.751 60.256 62.100 -0.155 0.000 1.005 47 T CB 1.302 70.131 68.868 -0.064 0.000 1.157 47 T HN 0.227 nan 8.240 nan 0.000 0.550 48 P HA -0.087 nan 4.420 nan 0.000 0.216 48 P C 1.614 179.028 177.300 0.189 0.000 1.150 48 P CA 0.998 64.236 63.100 0.231 0.000 0.843 48 P CB 0.050 31.845 31.700 0.159 0.000 0.787 49 R N -0.085 120.470 120.500 0.092 0.000 2.092 49 R HA -0.135 4.199 4.340 -0.010 0.000 0.231 49 R C 1.621 178.084 176.300 0.271 0.000 1.119 49 R CA 1.727 57.916 56.100 0.149 0.000 0.970 49 R CB -0.652 29.661 30.300 0.022 0.000 0.864 49 R HN 0.094 nan 8.270 nan 0.000 0.440 50 D N -0.320 120.126 120.400 0.077 0.000 2.117 50 D HA -0.178 4.456 4.640 -0.010 0.000 0.197 50 D C 1.681 178.009 176.300 0.045 0.000 0.987 50 D CA 1.252 55.260 54.000 0.013 0.000 0.829 50 D CB -0.274 40.391 40.800 -0.225 0.000 0.961 50 D HN 0.298 nan 8.370 nan 0.000 0.460 51 Y N 0.082 120.478 120.300 0.159 0.000 2.242 51 Y HA -0.199 4.345 4.550 -0.010 0.000 0.291 51 Y C 2.310 178.331 175.900 0.203 0.000 1.137 51 Y CA 0.308 58.538 58.100 0.218 0.000 1.181 51 Y CB -1.088 37.563 38.460 0.318 0.000 0.989 51 Y HN 0.088 nan 8.280 nan 0.000 0.527 52 Y N -0.522 119.916 120.300 0.231 0.000 2.145 52 Y HA -0.276 4.268 4.550 -0.010 0.000 0.286 52 Y C 1.957 177.824 175.900 -0.055 0.000 1.145 52 Y CA 1.284 59.417 58.100 0.055 0.000 1.148 52 Y CB -1.144 37.249 38.460 -0.111 0.000 0.981 52 Y HN 0.044 nan 8.280 nan 0.000 0.507 53 F N 0.267 119.978 119.950 -0.397 0.000 2.171 53 F HA -0.134 4.387 4.527 -0.009 0.000 0.300 53 F C 2.638 178.262 175.800 -0.294 0.000 1.090 53 F CA 1.308 59.019 58.000 -0.481 0.000 1.293 53 F CB -0.791 38.121 39.000 -0.146 0.000 1.013 53 F HN 0.207 nan 8.300 nan 0.000 0.486 54 A N -0.218 122.553 122.820 -0.082 0.000 1.902 54 A HA -0.173 4.141 4.320 -0.010 0.000 0.217 54 A C 2.053 179.537 177.584 -0.167 0.000 1.181 54 A CA 1.528 53.408 52.037 -0.261 0.000 0.623 54 A CB -0.960 17.558 19.000 -0.803 0.000 0.818 54 A HN 0.348 nan 8.150 nan 0.000 0.443 55 L N -0.288 120.938 121.223 0.004 0.000 2.056 55 L HA 0.012 4.346 4.340 -0.010 0.000 0.207 55 L C 2.660 179.510 176.870 -0.034 0.000 1.078 55 L CA 2.120 57.077 54.840 0.194 0.000 0.749 55 L CB -0.915 41.312 42.059 0.279 0.000 0.901 55 L HN 0.331 nan 8.230 nan 0.000 0.433 56 A N -1.126 121.485 122.820 -0.349 0.000 1.883 56 A HA -0.290 4.024 4.320 -0.010 0.000 0.217 56 A C 2.149 179.372 177.584 -0.602 0.000 1.186 56 A CA 2.069 53.771 52.037 -0.558 0.000 0.624 56 A CB -1.148 17.184 19.000 -1.113 0.000 0.822 56 A HN 0.683 nan 8.150 nan 0.000 0.444 57 H N -0.866 117.889 119.070 -0.524 0.000 2.421 57 H HA -0.055 4.495 4.556 -0.010 0.000 0.298 57 H C 2.310 177.388 175.328 -0.417 0.000 1.087 57 H CA 1.897 57.567 56.048 -0.631 0.000 1.330 57 H CB -0.119 28.983 29.762 -1.101 0.000 1.388 57 H HN 0.472 nan 8.280 nan 0.000 0.526 58 T N -0.376 114.142 114.554 -0.061 0.000 2.777 58 T HA -0.122 4.222 4.350 -0.010 0.000 0.266 58 T C 2.257 177.120 174.700 0.272 0.000 1.040 58 T CA 1.271 63.507 62.100 0.227 0.000 1.141 58 T CB -0.338 68.726 68.868 0.327 0.000 0.868 58 T HN 0.097 nan 8.240 nan 0.000 0.444 59 V N 1.591 121.639 119.914 0.224 0.000 2.358 59 V HA -0.122 3.992 4.120 -0.010 0.000 0.246 59 V C 2.620 178.898 176.094 0.306 0.000 1.047 59 V CA 1.603 64.085 62.300 0.303 0.000 1.035 59 V CB -0.624 31.375 31.823 0.293 0.000 0.658 59 V HN 0.371 nan 8.190 nan 0.000 0.452 60 R N 0.233 120.857 120.500 0.207 0.000 2.105 60 R HA -0.224 4.110 4.340 -0.010 0.000 0.239 60 R C 1.963 178.365 176.300 0.170 0.000 1.135 60 R CA 2.127 58.350 56.100 0.204 0.000 0.967 60 R CB -0.437 29.840 30.300 -0.038 0.000 0.861 60 R HN 0.472 nan 8.270 nan 0.000 0.442 61 D N -0.080 120.400 120.400 0.133 0.000 2.149 61 D HA -0.178 4.456 4.640 -0.010 0.000 0.198 61 D C 1.703 178.013 176.300 0.017 0.000 0.990 61 D CA 1.156 55.204 54.000 0.080 0.000 0.839 61 D CB -0.414 40.421 40.800 0.058 0.000 0.948 61 D HN 0.448 nan 8.370 nan 0.000 0.460 62 H N -0.314 118.824 119.070 0.114 0.000 2.521 62 H HA 0.031 4.581 4.556 -0.010 0.000 0.286 62 H C 2.141 177.514 175.328 0.076 0.000 1.034 62 H CA 0.441 56.540 56.048 0.085 0.000 1.278 62 H CB 0.317 30.121 29.762 0.070 0.000 1.386 62 H HN 0.223 nan 8.280 nan 0.000 0.567 63 L N 0.179 121.513 121.223 0.185 0.000 2.168 63 L HA -0.093 4.241 4.340 -0.010 0.000 0.203 63 L C 2.772 179.754 176.870 0.187 0.000 1.078 63 L CA 0.468 55.388 54.840 0.133 0.000 0.780 63 L CB -0.309 41.793 42.059 0.073 0.000 0.939 63 L HN 0.077 nan 8.230 nan 0.000 0.451 64 V N -1.430 118.621 119.914 0.228 0.000 2.277 64 V HA -0.260 3.854 4.120 -0.010 0.000 0.253 64 V C 2.325 178.538 176.094 0.199 0.000 1.067 64 V CA 2.273 64.742 62.300 0.282 0.000 1.047 64 V CB -1.984 29.960 31.823 0.202 0.000 0.649 64 V HN 0.420 nan 8.190 nan 0.000 0.447 65 G N -0.112 108.760 108.800 0.121 0.000 2.446 65 G HA2 -0.262 3.692 3.960 -0.010 0.000 0.217 65 G HA3 -0.262 3.692 3.960 -0.010 0.000 0.217 65 G C 1.765 176.715 174.900 0.083 0.000 1.168 65 G CA 1.058 46.204 45.100 0.077 0.000 0.771 65 G HN 0.539 nan 8.290 nan 0.000 0.551 66 R N -1.480 119.079 120.500 0.098 0.000 2.092 66 R HA -0.063 4.271 4.340 -0.010 0.000 0.231 66 R C 2.246 178.631 176.300 0.141 0.000 1.119 66 R CA 1.063 57.209 56.100 0.076 0.000 0.970 66 R CB -0.328 30.001 30.300 0.048 0.000 0.864 66 R HN 0.500 nan 8.270 nan 0.000 0.440 67 W N 1.397 122.681 121.300 -0.028 0.000 2.355 67 W HA -0.088 4.566 4.660 -0.010 0.000 0.309 67 W C 1.618 178.110 176.519 -0.044 0.000 1.206 67 W CA 0.997 58.322 57.345 -0.033 0.000 1.284 67 W CB -0.584 28.876 29.460 -0.000 0.000 1.145 67 W HN -0.026 nan 8.180 nan 0.000 0.502 68 I N 1.075 121.700 120.570 0.092 0.000 2.179 68 I HA -0.348 3.816 4.170 -0.010 0.000 0.242 68 I C 2.678 178.772 176.117 -0.038 0.000 1.088 68 I CA 2.006 63.271 61.300 -0.058 0.000 1.357 68 I CB -0.586 37.387 38.000 -0.045 0.000 1.051 68 I HN -0.013 nan 8.210 nan 0.000 0.409 69 R N 0.165 120.660 120.500 -0.008 0.000 2.115 69 R HA -0.056 4.278 4.340 -0.010 0.000 0.226 69 R C 1.998 178.261 176.300 -0.063 0.000 1.100 69 R CA 1.548 57.633 56.100 -0.024 0.000 0.980 69 R CB -1.244 29.042 30.300 -0.024 0.000 0.875 69 R HN 0.191 nan 8.270 nan 0.000 0.445 70 T N 1.638 116.134 114.554 -0.096 0.000 2.674 70 T HA -0.112 4.232 4.350 -0.010 0.000 0.265 70 T C 1.858 176.286 174.700 -0.452 0.000 1.039 70 T CA 1.391 63.328 62.100 -0.272 0.000 1.150 70 T CB -0.126 68.623 68.868 -0.199 0.000 0.864 70 T HN 0.231 nan 8.240 nan 0.000 0.427 71 Q N 0.775 120.450 119.800 -0.210 0.000 2.124 71 Q HA -0.096 4.238 4.340 -0.010 0.000 0.202 71 Q C 2.360 178.360 176.000 0.000 0.000 0.977 71 Q CA 1.318 57.068 55.803 -0.088 0.000 0.850 71 Q CB -0.538 28.175 28.738 -0.041 0.000 0.901 71 Q HN 0.514 nan 8.270 nan 0.000 0.429 72 Q N 0.134 119.928 119.800 -0.010 0.000 2.124 72 Q HA -0.189 4.145 4.340 -0.010 0.000 0.202 72 Q C 1.875 177.960 176.000 0.141 0.000 0.977 72 Q CA 1.927 57.772 55.803 0.070 0.000 0.850 72 Q CB -0.395 28.365 28.738 0.036 0.000 0.901 72 Q HN 0.536 nan 8.270 nan 0.000 0.429 73 H N -0.909 118.129 119.070 -0.054 0.000 2.353 73 H HA -0.154 4.396 4.556 -0.010 0.000 0.300 73 H C 1.088 176.470 175.328 0.091 0.000 1.090 73 H CA 2.171 58.197 56.048 -0.037 0.000 1.327 73 H CB -0.309 29.363 29.762 -0.149 0.000 1.383 73 H HN 0.359 nan 8.280 nan 0.000 0.508 74 Y N -1.081 119.251 120.300 0.054 0.000 2.274 74 Y HA -0.175 4.369 4.550 -0.010 0.000 0.290 74 Y C 2.347 178.266 175.900 0.031 0.000 1.145 74 Y CA 0.995 59.096 58.100 0.001 0.000 1.203 74 Y CB -1.232 37.293 38.460 0.109 0.000 0.984 74 Y HN 0.368 nan 8.280 nan 0.000 0.533 75 Y N 1.177 121.546 120.300 0.116 0.000 2.200 75 Y HA -0.142 4.402 4.550 -0.010 0.000 0.290 75 Y C 2.057 177.956 175.900 -0.000 0.000 1.137 75 Y CA 1.484 59.615 58.100 0.051 0.000 1.163 75 Y CB -0.083 38.396 38.460 0.030 0.000 0.988 75 Y HN 0.038 nan 8.280 nan 0.000 0.518 76 E N 0.344 120.495 120.200 -0.083 0.000 2.015 76 E HA -0.150 4.194 4.350 -0.010 0.000 0.191 76 E C 1.915 178.398 176.600 -0.196 0.000 0.991 76 E CA 1.240 57.537 56.400 -0.172 0.000 0.802 76 E CB -0.210 29.462 29.700 -0.046 0.000 0.759 76 E HN 0.392 nan 8.360 nan 0.000 0.447 77 K N 0.906 121.179 120.400 -0.212 0.000 2.296 77 K HA -0.072 4.242 4.320 -0.010 0.000 0.200 77 K C 0.183 176.707 176.600 -0.127 0.000 1.048 77 K CA 0.520 56.696 56.287 -0.185 0.000 0.966 77 K CB -0.425 31.905 32.500 -0.284 0.000 0.754 77 K HN 0.106 nan 8.250 nan 0.000 0.466 78 D N 1.015 121.351 120.400 -0.107 0.000 2.803 78 D HA -0.107 4.527 4.640 -0.010 0.000 0.233 78 D C -2.257 174.012 176.300 -0.052 0.000 1.182 78 D CA 0.106 54.063 54.000 -0.072 0.000 0.726 78 D CB -0.203 40.529 40.800 -0.114 0.000 0.987 78 D HN 0.199 nan 8.370 nan 0.000 0.412 79 P HA 0.121 nan 4.420 nan 0.000 0.277 79 P C -0.215 177.045 177.300 -0.067 0.000 1.271 79 P CA -0.674 62.390 63.100 -0.059 0.000 0.795 79 P CB 0.648 32.301 31.700 -0.078 0.000 1.101 80 K N 0.972 121.336 120.400 -0.059 0.000 2.412 80 K HA 0.088 4.402 4.320 -0.010 0.000 0.281 80 K C -0.085 176.441 176.600 -0.124 0.000 1.027 80 K CA -0.124 56.125 56.287 -0.062 0.000 0.989 80 K CB 0.250 32.730 32.500 -0.033 0.000 0.935 80 K HN 0.229 nan 8.250 nan 0.000 0.475 81 R N 3.567 123.987 120.500 -0.134 0.000 2.349 81 R HA 0.348 4.682 4.340 -0.010 0.000 0.299 81 R C -0.535 175.542 176.300 -0.372 0.000 1.027 81 R CA -0.423 55.529 56.100 -0.247 0.000 0.958 81 R CB 0.807 30.955 30.300 -0.252 0.000 1.047 81 R HN 0.511 nan 8.270 nan 0.000 0.468 82 I N 4.547 124.834 120.570 -0.472 0.000 2.339 82 I HA 0.218 4.383 4.170 -0.010 0.000 0.290 82 I C -0.683 175.156 176.117 -0.464 0.000 0.994 82 I CA -0.743 60.227 61.300 -0.550 0.000 1.191 82 I CB 0.950 38.498 38.000 -0.753 0.000 1.343 82 I HN 0.532 nan 8.210 nan 0.000 0.458 83 Y N 5.969 126.233 120.300 -0.059 0.000 2.356 83 Y HA 0.286 4.830 4.550 -0.010 0.000 0.334 83 Y C -0.296 175.704 175.900 0.167 0.000 0.958 83 Y CA -0.665 57.519 58.100 0.139 0.000 1.196 83 Y CB 1.209 39.701 38.460 0.053 0.000 1.137 83 Y HN 0.395 nan 8.280 nan 0.000 0.485 84 Y N 4.633 125.114 120.300 0.302 0.000 2.434 84 Y HA 0.486 5.031 4.550 -0.010 0.000 0.341 84 Y C -1.292 174.874 175.900 0.443 0.000 0.965 84 Y CA -1.008 57.279 58.100 0.311 0.000 1.205 84 Y CB 0.292 38.937 38.460 0.308 0.000 1.121 84 Y HN 0.502 nan 8.280 nan 0.000 0.507 85 L N 4.882 126.161 121.223 0.092 0.000 2.276 85 L HA 0.518 4.852 4.340 -0.010 0.000 0.286 85 L C -0.174 176.718 176.870 0.037 0.000 1.061 85 L CA 0.075 55.029 54.840 0.189 0.000 0.807 85 L CB 1.407 43.546 42.059 0.134 0.000 1.177 85 L HN 0.579 nan 8.230 nan 0.000 0.429 86 S N 2.359 118.170 115.700 0.185 0.000 2.533 86 S HA 0.482 4.946 4.470 -0.010 0.000 0.271 86 S C 0.136 174.840 174.600 0.174 0.000 1.143 86 S CA -0.510 57.702 58.200 0.021 0.000 0.891 86 S CB 0.962 63.951 63.200 -0.352 0.000 1.105 86 S HN 0.456 nan 8.310 nan 0.000 0.468 87 L N 2.906 124.269 121.223 0.232 0.000 2.591 87 L HA 0.448 4.782 4.340 -0.010 0.000 0.228 87 L C 0.302 177.386 176.870 0.357 0.000 1.133 87 L CA 1.011 56.058 54.840 0.345 0.000 0.880 87 L CB -0.135 42.144 42.059 0.367 0.000 1.033 87 L HN 0.655 nan 8.230 nan 0.000 0.450 88 E N -1.337 118.943 120.200 0.133 0.000 2.292 88 E HA 0.403 4.747 4.350 -0.010 0.000 0.272 88 E C -1.374 175.116 176.600 -0.183 0.000 0.881 88 E CA -0.446 56.011 56.400 0.094 0.000 0.754 88 E CB 1.882 31.607 29.700 0.041 0.000 1.201 88 E HN -0.166 nan 8.360 nan 0.000 0.425 89 F N 2.127 122.185 119.950 0.180 0.000 2.771 89 F HA 0.171 4.692 4.527 -0.010 0.000 0.365 89 F C -0.865 175.023 175.800 0.145 0.000 1.169 89 F CA -0.741 57.354 58.000 0.159 0.000 1.093 89 F CB 0.947 40.033 39.000 0.144 0.000 1.363 89 F HN 0.495 nan 8.300 nan 0.000 0.496 90 Y N 5.172 125.545 120.300 0.121 0.000 2.636 90 Y HA 0.186 4.730 4.550 -0.009 0.000 0.334 90 Y C 1.089 177.012 175.900 0.038 0.000 1.286 90 Y CA -0.939 57.184 58.100 0.039 0.000 1.688 90 Y CB 0.249 38.714 38.460 0.009 0.000 1.662 90 Y HN 0.530 nan 8.280 nan 0.000 0.465 91 M N 1.060 120.785 119.600 0.207 0.000 2.254 91 M HA 0.089 4.563 4.480 -0.010 0.000 0.265 91 M C 1.612 177.889 176.300 -0.038 0.000 1.066 91 M CA 1.103 56.440 55.300 0.061 0.000 1.123 91 M CB -1.279 31.336 32.600 0.025 0.000 1.388 91 M HN 0.654 nan 8.290 nan 0.000 0.425 92 G N 1.079 109.863 108.800 -0.027 0.000 2.562 92 G HA2 -0.273 3.681 3.960 -0.010 0.000 0.250 92 G HA3 -0.273 3.681 3.960 -0.010 0.000 0.250 92 G C -0.241 174.615 174.900 -0.073 0.000 1.269 92 G CA -0.266 44.781 45.100 -0.088 0.000 0.919 92 G HN 0.436 nan 8.290 nan 0.000 0.574 93 R N -0.704 119.734 120.500 -0.103 0.000 2.531 93 R HA 0.568 4.902 4.340 -0.010 0.000 0.273 93 R C 1.103 177.294 176.300 -0.182 0.000 1.070 93 R CA 0.347 56.398 56.100 -0.082 0.000 1.112 93 R CB 0.723 30.980 30.300 -0.072 0.000 1.049 93 R HN 0.530 nan 8.270 nan 0.000 0.508 94 T N 1.236 115.637 114.554 -0.255 0.000 2.978 94 T HA -0.009 4.335 4.350 -0.010 0.000 0.248 94 T C 1.437 175.768 174.700 -0.615 0.000 1.018 94 T CA -0.173 61.560 62.100 -0.612 0.000 1.026 94 T CB 0.127 68.226 68.868 -1.283 0.000 1.032 94 T HN 0.307 nan 8.240 nan 0.000 0.485 95 L N 2.072 123.176 121.223 -0.199 0.000 1.956 95 L HA -0.096 4.238 4.340 -0.010 0.000 0.216 95 L C 2.456 179.302 176.870 -0.039 0.000 1.073 95 L CA 2.056 56.933 54.840 0.062 0.000 0.762 95 L CB -0.758 41.525 42.059 0.373 0.000 0.889 95 L HN 0.194 nan 8.230 nan 0.000 0.433 96 Q N -0.858 118.916 119.800 -0.043 0.000 2.124 96 Q HA -0.252 4.082 4.340 -0.010 0.000 0.202 96 Q C 2.230 178.163 176.000 -0.113 0.000 0.977 96 Q CA 1.842 57.608 55.803 -0.061 0.000 0.850 96 Q CB -0.307 28.390 28.738 -0.068 0.000 0.901 96 Q HN 0.699 nan 8.270 nan 0.000 0.429 97 N N -0.977 117.616 118.700 -0.179 0.000 2.166 97 N HA -0.142 4.592 4.740 -0.010 0.000 0.186 97 N C 1.331 176.737 175.510 -0.173 0.000 1.019 97 N CA 1.778 54.713 53.050 -0.192 0.000 0.856 97 N CB 0.067 38.407 38.487 -0.246 0.000 0.993 97 N HN 0.223 nan 8.380 nan 0.000 0.426 98 T N 1.218 115.636 114.554 -0.228 0.000 2.777 98 T HA -0.044 4.300 4.350 -0.010 0.000 0.266 98 T C 2.063 176.706 174.700 -0.095 0.000 1.040 98 T CA 1.002 62.986 62.100 -0.192 0.000 1.141 98 T CB -0.052 68.659 68.868 -0.263 0.000 0.868 98 T HN 0.264 nan 8.240 nan 0.000 0.444 99 M N 0.547 120.108 119.600 -0.065 0.000 2.117 99 M HA -0.079 4.395 4.480 -0.010 0.000 0.262 99 M C 2.463 178.733 176.300 -0.049 0.000 1.065 99 M CA 1.189 56.464 55.300 -0.042 0.000 1.114 99 M CB -0.591 31.999 32.600 -0.016 0.000 1.361 99 M HN 0.100 nan 8.290 nan 0.000 0.408 100 V N 0.971 120.861 119.914 -0.040 0.000 2.261 100 V HA -0.279 3.835 4.120 -0.010 0.000 0.246 100 V C 1.733 177.840 176.094 0.022 0.000 1.047 100 V CA 2.028 64.331 62.300 0.005 0.000 1.015 100 V CB -0.881 30.948 31.823 0.010 0.000 0.642 100 V HN 0.471 nan 8.190 nan 0.000 0.446 101 N N -0.326 118.377 118.700 0.004 0.000 2.453 101 N HA -0.060 4.674 4.740 -0.010 0.000 0.183 101 N C 1.033 176.450 175.510 -0.156 0.000 1.041 101 N CA 0.718 53.748 53.050 -0.033 0.000 0.900 101 N CB -0.113 38.366 38.487 -0.013 0.000 0.961 101 N HN 0.282 nan 8.380 nan 0.000 0.443 102 L N -0.388 120.761 121.223 -0.123 0.000 2.693 102 L HA 0.414 4.748 4.340 -0.010 0.000 0.235 102 L C 0.490 177.276 176.870 -0.139 0.000 1.127 102 L CA -0.255 54.510 54.840 -0.126 0.000 0.914 102 L CB -0.727 41.281 42.059 -0.086 0.000 1.193 102 L HN 0.087 nan 8.230 nan 0.000 0.502 103 A N -0.370 122.366 122.820 -0.140 0.000 2.791 103 A HA -0.218 4.096 4.320 -0.010 0.000 0.292 103 A C 0.996 178.521 177.584 -0.097 0.000 1.487 103 A CA 0.964 52.931 52.037 -0.117 0.000 0.760 103 A CB -1.911 17.005 19.000 -0.141 0.000 1.031 103 A HN 0.231 nan 8.150 nan 0.000 0.503 104 L N -1.003 120.165 121.223 -0.092 0.000 2.766 104 L HA 0.282 4.616 4.340 -0.010 0.000 0.242 104 L C 1.739 178.574 176.870 -0.058 0.000 1.136 104 L CA 1.402 56.183 54.840 -0.098 0.000 0.933 104 L CB -0.094 41.880 42.059 -0.141 0.000 1.241 104 L HN 0.605 nan 8.230 nan 0.000 0.522 105 E N -0.157 120.019 120.200 -0.040 0.000 2.038 105 E HA -0.237 4.107 4.350 -0.010 0.000 0.195 105 E C 1.542 178.130 176.600 -0.020 0.000 1.000 105 E CA 1.549 57.936 56.400 -0.022 0.000 0.803 105 E CB 0.241 29.931 29.700 -0.017 0.000 0.750 105 E HN 0.415 nan 8.360 nan 0.000 0.448 106 N N 0.012 118.697 118.700 -0.025 0.000 2.188 106 N HA -0.124 4.610 4.740 -0.010 0.000 0.184 106 N C 1.578 177.074 175.510 -0.024 0.000 1.018 106 N CA 1.169 54.204 53.050 -0.026 0.000 0.858 106 N CB -0.351 38.120 38.487 -0.027 0.000 0.989 106 N HN 0.221 nan 8.380 nan 0.000 0.426 107 A N 0.591 123.394 122.820 -0.029 0.000 1.877 107 A HA -0.155 4.159 4.320 -0.010 0.000 0.216 107 A C 2.675 180.251 177.584 -0.013 0.000 1.186 107 A CA 1.403 53.426 52.037 -0.024 0.000 0.620 107 A CB -1.044 17.931 19.000 -0.041 0.000 0.822 107 A HN 0.438 nan 8.150 nan 0.000 0.443 108 C N -0.779 118.514 119.300 -0.012 0.000 2.440 108 C HA -0.070 4.384 4.460 -0.010 0.000 0.278 108 C C 2.474 177.466 174.990 0.002 0.000 1.295 108 C CA 1.132 60.154 59.018 0.006 0.000 1.738 108 C CB -1.141 26.615 27.740 0.026 0.000 1.987 108 C HN 0.711 nan 8.230 nan 0.000 0.492 109 D N 0.720 121.121 120.400 0.003 0.000 2.117 109 D HA -0.142 4.492 4.640 -0.010 0.000 0.197 109 D C 2.121 178.438 176.300 0.028 0.000 0.987 109 D CA 1.510 55.516 54.000 0.009 0.000 0.829 109 D CB -0.239 40.556 40.800 -0.008 0.000 0.961 109 D HN 0.481 nan 8.370 nan 0.000 0.460 110 E N 0.192 120.402 120.200 0.015 0.000 2.047 110 E HA -0.031 4.313 4.350 -0.010 0.000 0.191 110 E C 1.906 178.545 176.600 0.065 0.000 0.987 110 E CA 1.559 57.988 56.400 0.049 0.000 0.799 110 E CB -0.584 29.126 29.700 0.016 0.000 0.752 110 E HN 0.208 nan 8.360 nan 0.000 0.449 111 A N -0.031 122.793 122.820 0.006 0.000 1.883 111 A HA -0.235 4.079 4.320 -0.010 0.000 0.217 111 A C 2.512 180.017 177.584 -0.132 0.000 1.186 111 A CA 2.987 54.997 52.037 -0.044 0.000 0.624 111 A CB -1.539 17.438 19.000 -0.039 0.000 0.822 111 A HN 0.527 nan 8.150 nan 0.000 0.444 112 T N -3.830 110.639 114.554 -0.142 0.000 2.867 112 T HA -0.200 4.144 4.350 -0.010 0.000 0.268 112 T C 1.834 176.441 174.700 -0.155 0.000 1.057 112 T CA 1.504 63.456 62.100 -0.246 0.000 1.136 112 T CB -0.566 68.200 68.868 -0.170 0.000 0.874 112 T HN 0.466 nan 8.240 nan 0.000 0.466 113 Y N 2.157 122.374 120.300 -0.138 0.000 2.145 113 Y HA -0.098 4.447 4.550 -0.009 0.000 0.286 113 Y C 2.647 178.483 175.900 -0.106 0.000 1.145 113 Y CA 1.599 59.638 58.100 -0.102 0.000 1.148 113 Y CB -0.557 37.863 38.460 -0.068 0.000 0.981 113 Y HN 0.242 nan 8.280 nan 0.000 0.507 114 Q N -0.891 118.824 119.800 -0.142 0.000 2.226 114 Q HA -0.139 4.195 4.340 -0.010 0.000 0.204 114 Q C 1.545 177.403 176.000 -0.238 0.000 0.975 114 Q CA 1.058 56.744 55.803 -0.195 0.000 0.866 114 Q CB -0.100 28.605 28.738 -0.055 0.000 0.915 114 Q HN 0.358 nan 8.270 nan 0.000 0.440 115 L N -0.958 120.108 121.223 -0.262 0.000 2.599 115 L HA 0.136 4.470 4.340 -0.010 0.000 0.230 115 L C 1.116 177.812 176.870 -0.289 0.000 1.141 115 L CA 1.195 55.870 54.840 -0.275 0.000 0.877 115 L CB -0.304 41.507 42.059 -0.413 0.000 1.009 115 L HN 0.309 nan 8.230 nan 0.000 0.447 116 G N -0.271 108.332 108.800 -0.328 0.000 2.160 116 G HA2 -0.245 3.709 3.960 -0.010 0.000 0.244 116 G HA3 -0.245 3.709 3.960 -0.010 0.000 0.244 116 G C 0.051 174.800 174.900 -0.252 0.000 1.022 116 G CA 0.272 45.190 45.100 -0.303 0.000 0.741 116 G HN 0.281 nan 8.290 nan 0.000 0.508 117 L N -0.340 120.732 121.223 -0.252 0.000 2.341 117 L HA 0.628 4.962 4.340 -0.010 0.000 0.267 117 L C -0.568 176.261 176.870 -0.068 0.000 1.009 117 L CA -1.197 53.530 54.840 -0.189 0.000 0.819 117 L CB 1.898 43.783 42.059 -0.290 0.000 1.323 117 L HN 0.084 nan 8.230 nan 0.000 0.425 118 D N 1.925 122.318 120.400 -0.012 0.000 2.396 118 D HA 0.182 4.816 4.640 -0.010 0.000 0.225 118 D C 0.650 176.978 176.300 0.047 0.000 1.121 118 D CA -0.267 53.756 54.000 0.039 0.000 0.853 118 D CB 1.489 42.317 40.800 0.047 0.000 1.043 118 D HN 0.510 nan 8.370 nan 0.000 0.500 119 M N 3.062 122.691 119.600 0.049 0.000 2.202 119 M HA -0.156 4.318 4.480 -0.010 0.000 0.262 119 M C 1.323 177.665 176.300 0.071 0.000 1.063 119 M CA 1.570 56.908 55.300 0.063 0.000 1.097 119 M CB 0.197 32.828 32.600 0.052 0.000 1.382 119 M HN 0.426 nan 8.290 nan 0.000 0.413 120 E N -0.266 119.967 120.200 0.056 0.000 2.150 120 E HA -0.249 4.095 4.350 -0.010 0.000 0.193 120 E C 1.835 178.469 176.600 0.056 0.000 0.985 120 E CA 1.340 57.770 56.400 0.051 0.000 0.814 120 E CB -0.106 29.621 29.700 0.044 0.000 0.752 120 E HN 0.641 nan 8.360 nan 0.000 0.466 121 E N 0.371 120.608 120.200 0.062 0.000 2.106 121 E HA -0.187 4.157 4.350 -0.010 0.000 0.192 121 E C 1.873 178.515 176.600 0.070 0.000 0.984 121 E CA 0.531 56.968 56.400 0.062 0.000 0.806 121 E CB 0.189 29.927 29.700 0.064 0.000 0.750 121 E HN 0.084 nan 8.360 nan 0.000 0.458 122 L N 1.417 122.703 121.223 0.105 0.000 2.093 122 L HA -0.112 4.222 4.340 -0.010 0.000 0.208 122 L C 2.006 178.943 176.870 0.112 0.000 1.085 122 L CA 1.587 56.524 54.840 0.161 0.000 0.755 122 L CB -0.482 41.721 42.059 0.240 0.000 0.904 122 L HN 0.133 nan 8.230 nan 0.000 0.435 123 E N -0.712 119.540 120.200 0.087 0.000 2.150 123 E HA -0.180 4.164 4.350 -0.010 0.000 0.193 123 E C 1.726 178.290 176.600 -0.060 0.000 0.985 123 E CA 0.679 57.102 56.400 0.040 0.000 0.814 123 E CB -0.010 29.718 29.700 0.046 0.000 0.752 123 E HN 0.419 nan 8.360 nan 0.000 0.466 124 E N 0.405 120.583 120.200 -0.036 0.000 2.418 124 E HA -0.090 4.254 4.350 -0.010 0.000 0.197 124 E C 1.863 178.399 176.600 -0.108 0.000 1.026 124 E CA 0.501 56.879 56.400 -0.038 0.000 0.862 124 E CB 0.082 29.794 29.700 0.020 0.000 0.799 124 E HN 0.424 nan 8.360 nan 0.000 0.518 125 I N 0.713 121.154 120.570 -0.214 0.000 2.617 125 I HA -0.091 4.073 4.170 -0.010 0.000 0.256 125 I C 1.369 177.176 176.117 -0.518 0.000 1.167 125 I CA 0.176 61.283 61.300 -0.321 0.000 1.469 125 I CB 0.054 37.863 38.000 -0.317 0.000 1.098 125 I HN -0.014 nan 8.210 nan 0.000 0.436 126 E N 2.388 122.143 120.200 -0.742 0.000 2.414 126 E HA -0.093 4.251 4.350 -0.010 0.000 0.263 126 E C -0.054 176.449 176.600 -0.162 0.000 1.000 126 E CA -0.070 55.961 56.400 -0.616 0.000 0.914 126 E CB 0.602 30.073 29.700 -0.381 0.000 0.948 126 E HN 0.059 nan 8.360 nan 0.000 0.444 127 E N 2.893 123.096 120.200 0.005 0.000 2.313 127 E HA 0.082 4.426 4.350 -0.010 0.000 0.276 127 E C -1.214 175.496 176.600 0.183 0.000 1.031 127 E CA -0.335 56.157 56.400 0.152 0.000 0.857 127 E CB 0.786 30.663 29.700 0.296 0.000 1.040 127 E HN 0.329 nan 8.360 nan 0.000 0.408 128 D N 1.827 122.306 120.400 0.132 0.000 2.382 128 D HA 0.252 4.886 4.640 -0.010 0.000 0.245 128 D C -0.770 175.569 176.300 0.064 0.000 1.120 128 D CA 0.201 54.248 54.000 0.079 0.000 0.890 128 D CB 0.972 41.796 40.800 0.040 0.000 1.201 128 D HN 0.431 nan 8.370 nan 0.000 0.433 129 A N 2.269 125.077 122.820 -0.020 0.000 2.807 129 A HA 0.477 4.791 4.320 -0.010 0.000 0.307 129 A C 0.959 178.386 177.584 -0.263 0.000 1.532 129 A CA -0.472 51.356 52.037 -0.347 0.000 1.215 129 A CB -0.279 18.602 19.000 -0.199 0.000 1.127 129 A HN 0.506 nan 8.150 nan 0.000 0.543 130 G N 1.920 110.532 108.800 -0.313 0.000 3.717 130 G HA2 0.410 4.364 3.960 -0.010 0.000 0.258 130 G HA3 0.410 4.364 3.960 -0.010 0.000 0.258 130 G C 0.311 175.022 174.900 -0.315 0.000 1.088 130 G CA -0.295 44.726 45.100 -0.132 0.000 1.737 130 G HN 0.692 nan 8.290 nan 0.000 0.648 131 L N 1.382 122.464 121.223 -0.236 0.000 2.862 131 L HA 0.375 4.709 4.340 -0.010 0.000 0.240 131 L C 1.048 177.857 176.870 -0.101 0.000 1.283 131 L CA -0.226 54.563 54.840 -0.085 0.000 1.117 131 L CB -0.359 41.770 42.059 0.117 0.000 1.444 131 L HN 0.336 nan 8.230 nan 0.000 0.456 132 G N -1.267 107.243 108.800 -0.484 0.000 2.660 132 G HA2 0.213 4.167 3.960 -0.010 0.000 0.290 132 G HA3 0.213 4.167 3.960 -0.010 0.000 0.290 132 G C -0.154 174.222 174.900 -0.873 0.000 1.432 132 G CA -0.446 44.316 45.100 -0.563 0.000 0.807 132 G HN -0.082 nan 8.290 nan 0.000 0.485 133 N N -0.810 117.629 118.700 -0.435 0.000 2.439 133 N HA 0.214 4.948 4.740 -0.010 0.000 0.176 133 N C 1.145 176.631 175.510 -0.040 0.000 1.029 133 N CA 1.274 54.178 53.050 -0.243 0.000 0.886 133 N CB 1.295 39.764 38.487 -0.031 0.000 1.057 133 N HN 0.824 nan 8.380 nan 0.000 0.437 134 G N -0.639 108.226 108.800 0.108 0.000 2.825 134 G HA2 0.189 4.143 3.960 -0.010 0.000 0.100 134 G HA3 0.189 4.143 3.960 -0.010 0.000 0.100 134 G C 0.756 175.788 174.900 0.221 0.000 1.195 134 G CA 0.224 45.499 45.100 0.291 0.000 1.317 134 G HN 0.158 nan 8.290 nan 0.000 0.632 135 G N 0.527 109.397 108.800 0.117 0.000 2.529 135 G HA2 -0.178 3.776 3.960 -0.010 0.000 0.219 135 G HA3 -0.178 3.776 3.960 -0.010 0.000 0.219 135 G C 1.913 176.797 174.900 -0.026 0.000 1.177 135 G CA 1.653 46.778 45.100 0.040 0.000 0.773 135 G HN 0.897 nan 8.290 nan 0.000 0.573 136 L N 0.624 121.791 121.223 -0.092 0.000 2.012 136 L HA 0.035 4.369 4.340 -0.010 0.000 0.210 136 L C 2.835 179.617 176.870 -0.148 0.000 1.073 136 L CA 2.122 56.798 54.840 -0.273 0.000 0.748 136 L CB -0.577 41.275 42.059 -0.345 0.000 0.891 136 L HN 0.264 nan 8.230 nan 0.000 0.431 137 G N -0.890 107.894 108.800 -0.027 0.000 2.421 137 G HA2 -0.236 3.718 3.960 -0.010 0.000 0.217 137 G HA3 -0.236 3.718 3.960 -0.010 0.000 0.217 137 G C 1.686 176.656 174.900 0.117 0.000 1.143 137 G CA 0.269 45.383 45.100 0.023 0.000 0.784 137 G HN 0.191 nan 8.290 nan 0.000 0.541 138 R N 0.212 120.810 120.500 0.163 0.000 2.090 138 R HA 0.121 4.455 4.340 -0.010 0.000 0.228 138 R C 2.398 178.702 176.300 0.006 0.000 1.110 138 R CA 0.662 56.830 56.100 0.114 0.000 0.973 138 R CB -1.032 29.294 30.300 0.044 0.000 0.869 138 R HN 0.377 nan 8.270 nan 0.000 0.440 139 L N 0.722 121.880 121.223 -0.109 0.000 2.042 139 L HA -0.066 4.268 4.340 -0.010 0.000 0.210 139 L C 2.171 178.750 176.870 -0.485 0.000 1.076 139 L CA 2.240 56.876 54.840 -0.341 0.000 0.749 139 L CB -0.802 41.016 42.059 -0.401 0.000 0.893 139 L HN 0.198 nan 8.230 nan 0.000 0.432 140 A N -0.638 122.026 122.820 -0.260 0.000 1.940 140 A HA -0.146 4.168 4.320 -0.010 0.000 0.219 140 A C 2.436 180.066 177.584 0.076 0.000 1.176 140 A CA 1.872 53.822 52.037 -0.144 0.000 0.631 140 A CB -1.125 17.742 19.000 -0.221 0.000 0.814 140 A HN 0.581 nan 8.150 nan 0.000 0.446 141 A N -1.058 121.843 122.820 0.134 0.000 1.873 141 A HA -0.147 4.167 4.320 -0.010 0.000 0.215 141 A C 2.304 179.973 177.584 0.142 0.000 1.186 141 A CA 1.626 53.780 52.037 0.195 0.000 0.616 141 A CB -1.249 17.854 19.000 0.173 0.000 0.823 141 A HN 0.599 nan 8.150 nan 0.000 0.442 142 C N -1.449 117.932 119.300 0.136 0.000 2.425 142 C HA -0.047 4.407 4.460 -0.010 0.000 0.277 142 C C 2.412 177.574 174.990 0.288 0.000 1.280 142 C CA 0.503 59.642 59.018 0.202 0.000 1.744 142 C CB -1.637 26.246 27.740 0.239 0.000 1.989 142 C HN 0.596 nan 8.230 nan 0.000 0.491 143 F N 0.612 120.547 119.950 -0.026 0.000 2.134 143 F HA -0.082 4.439 4.527 -0.010 0.000 0.299 143 F C 2.121 177.862 175.800 -0.097 0.000 1.097 143 F CA 1.053 58.983 58.000 -0.116 0.000 1.264 143 F CB -1.358 37.431 39.000 -0.352 0.000 1.001 143 F HN 0.095 nan 8.300 nan 0.000 0.479 144 L N 0.295 121.600 121.223 0.136 0.000 2.012 144 L HA -0.242 4.092 4.340 -0.010 0.000 0.210 144 L C 2.175 179.061 176.870 0.027 0.000 1.073 144 L CA 1.996 56.872 54.840 0.059 0.000 0.748 144 L CB -1.337 40.764 42.059 0.070 0.000 0.891 144 L HN 0.111 nan 8.230 nan 0.000 0.431 145 D N -1.552 118.874 120.400 0.043 0.000 2.104 145 D HA -0.174 4.460 4.640 -0.010 0.000 0.194 145 D C 2.181 178.499 176.300 0.030 0.000 0.994 145 D CA 1.519 55.530 54.000 0.018 0.000 0.830 145 D CB 0.160 40.971 40.800 0.018 0.000 0.959 145 D HN 0.193 nan 8.370 nan 0.000 0.452 146 S N -0.764 114.967 115.700 0.053 0.000 2.383 146 S HA -0.102 4.362 4.470 -0.010 0.000 0.227 146 S C 1.991 176.600 174.600 0.014 0.000 1.026 146 S CA 0.860 59.080 58.200 0.034 0.000 0.981 146 S CB -0.217 63.003 63.200 0.033 0.000 0.818 146 S HN 0.346 nan 8.310 nan 0.000 0.472 147 M N 0.909 120.511 119.600 0.002 0.000 2.213 147 M HA -0.079 4.395 4.480 -0.010 0.000 0.263 147 M C 2.408 178.709 176.300 0.001 0.000 1.062 147 M CA 1.349 56.648 55.300 -0.001 0.000 1.105 147 M CB -0.478 32.103 32.600 -0.032 0.000 1.385 147 M HN 0.391 nan 8.290 nan 0.000 0.417 148 A N -0.371 122.448 122.820 -0.001 0.000 1.929 148 A HA -0.089 4.225 4.320 -0.010 0.000 0.216 148 A C 2.156 179.756 177.584 0.027 0.000 1.176 148 A CA 1.769 53.810 52.037 0.006 0.000 0.628 148 A CB -0.927 18.061 19.000 -0.019 0.000 0.816 148 A HN 0.392 nan 8.150 nan 0.000 0.444 149 T N 0.297 114.872 114.554 0.034 0.000 2.915 149 T HA 0.028 4.372 4.350 -0.010 0.000 0.269 149 T C 1.281 176.012 174.700 0.052 0.000 1.071 149 T CA 0.968 63.102 62.100 0.057 0.000 1.132 149 T CB -0.248 68.662 68.868 0.070 0.000 0.878 149 T HN 0.335 nan 8.240 nan 0.000 0.479 150 L N 0.495 121.743 121.223 0.042 0.000 2.653 150 L HA 0.301 4.635 4.340 -0.010 0.000 0.231 150 L C 1.607 178.508 176.870 0.052 0.000 1.153 150 L CA -0.097 54.769 54.840 0.045 0.000 0.933 150 L CB -0.429 41.655 42.059 0.042 0.000 1.175 150 L HN 0.382 nan 8.230 nan 0.000 0.473 151 G N 1.230 110.065 108.800 0.058 0.000 2.249 151 G HA2 -0.288 3.666 3.960 -0.010 0.000 0.273 151 G HA3 -0.288 3.666 3.960 -0.010 0.000 0.273 151 G C 0.106 175.054 174.900 0.081 0.000 1.036 151 G CA 0.109 45.261 45.100 0.087 0.000 0.824 151 G HN 0.296 nan 8.290 nan 0.000 0.504 152 L N -0.251 120.989 121.223 0.028 0.000 2.334 152 L HA 0.620 4.954 4.340 -0.010 0.000 0.277 152 L C 1.181 177.934 176.870 -0.195 0.000 1.075 152 L CA -0.403 54.407 54.840 -0.051 0.000 0.804 152 L CB 1.625 43.667 42.059 -0.028 0.000 1.174 152 L HN 0.247 nan 8.230 nan 0.000 0.438 153 A N 2.940 125.502 122.820 -0.430 0.000 2.990 153 A HA 0.565 4.879 4.320 -0.010 0.000 0.282 153 A C 0.301 177.521 177.584 -0.607 0.000 1.688 153 A CA -0.194 51.282 52.037 -0.933 0.000 1.391 153 A CB -0.639 17.691 19.000 -1.117 0.000 1.112 153 A HN 0.696 nan 8.150 nan 0.000 0.588 154 A N 1.448 123.963 122.820 -0.509 0.000 2.325 154 A HA 0.788 5.102 4.320 -0.010 0.000 0.333 154 A C -1.019 176.275 177.584 -0.483 0.000 1.155 154 A CA -0.434 51.368 52.037 -0.391 0.000 0.814 154 A CB 0.689 19.544 19.000 -0.240 0.000 1.206 154 A HN 0.623 nan 8.150 nan 0.000 0.482 155 Y N 0.302 120.528 120.300 -0.124 0.000 2.373 155 Y HA 0.530 5.074 4.550 -0.010 0.000 0.336 155 Y C 0.817 176.813 175.900 0.160 0.000 0.979 155 Y CA -0.458 57.650 58.100 0.013 0.000 1.080 155 Y CB 2.394 40.945 38.460 0.152 0.000 1.190 155 Y HN 0.844 nan 8.280 nan 0.000 0.446 156 G N 2.212 111.099 108.800 0.145 0.000 2.338 156 G HA2 0.473 4.427 3.960 -0.010 0.000 0.298 156 G HA3 0.473 4.427 3.960 -0.010 0.000 0.298 156 G C -1.792 173.134 174.900 0.042 0.000 1.140 156 G CA -0.290 44.939 45.100 0.215 0.000 0.860 156 G HN 0.529 nan 8.290 nan 0.000 0.470 157 Y N 0.809 121.343 120.300 0.389 0.000 2.361 157 Y HA 0.624 5.168 4.550 -0.010 0.000 0.337 157 Y C 0.721 176.924 175.900 0.506 0.000 0.965 157 Y CA 0.154 58.448 58.100 0.322 0.000 1.091 157 Y CB 2.705 41.385 38.460 0.367 0.000 1.182 157 Y HN 0.896 nan 8.280 nan 0.000 0.450 158 G N 2.328 111.437 108.800 0.514 0.000 2.753 158 G HA2 0.606 4.560 3.960 -0.010 0.000 0.303 158 G HA3 0.606 4.560 3.960 -0.010 0.000 0.303 158 G C -1.756 173.385 174.900 0.403 0.000 1.242 158 G CA -0.805 44.637 45.100 0.569 0.000 0.810 158 G HN 0.427 nan 8.290 nan 0.000 0.515 159 I N 0.466 121.177 120.570 0.235 0.000 2.474 159 I HA 0.447 4.611 4.170 -0.010 0.000 0.294 159 I C 0.168 176.189 176.117 -0.159 0.000 1.005 159 I CA -0.751 60.572 61.300 0.038 0.000 1.113 159 I CB 2.315 40.160 38.000 -0.258 0.000 1.289 159 I HN 0.380 nan 8.210 nan 0.000 0.436 160 R N 5.965 126.471 120.500 0.011 0.000 2.593 160 R HA 0.259 4.593 4.340 -0.010 0.000 0.282 160 R C -1.331 175.020 176.300 0.086 0.000 1.300 160 R CA -0.448 55.695 56.100 0.071 0.000 1.221 160 R CB 0.004 30.329 30.300 0.042 0.000 1.157 160 R HN 0.395 nan 8.270 nan 0.000 0.555 161 Y N 1.946 122.414 120.300 0.279 0.000 2.442 161 Y HA -0.050 4.494 4.550 -0.010 0.000 0.330 161 Y C 1.552 177.638 175.900 0.309 0.000 1.129 161 Y CA -0.049 58.204 58.100 0.256 0.000 1.365 161 Y CB 0.930 39.519 38.460 0.214 0.000 1.233 161 Y HN 0.593 nan 8.280 nan 0.000 0.529 162 E N 1.498 121.880 120.200 0.302 0.000 2.358 162 E HA -0.013 4.331 4.350 -0.010 0.000 0.195 162 E C -0.798 175.675 176.600 -0.211 0.000 1.010 162 E CA 0.613 57.012 56.400 -0.001 0.000 0.856 162 E CB 0.049 29.607 29.700 -0.238 0.000 0.795 162 E HN 0.435 nan 8.360 nan 0.000 0.504 163 F N 0.858 121.047 119.950 0.398 0.000 2.499 163 F HA 0.490 5.011 4.527 -0.010 0.000 0.333 163 F C 0.842 176.747 175.800 0.175 0.000 1.138 163 F CA -0.943 57.238 58.000 0.303 0.000 0.945 163 F CB 2.115 41.219 39.000 0.174 0.000 1.181 163 F HN -0.047 nan 8.300 nan 0.000 0.435 164 G N 1.904 110.819 108.800 0.193 0.000 2.582 164 G HA2 0.327 4.281 3.960 -0.010 0.000 0.232 164 G HA3 0.327 4.281 3.960 -0.010 0.000 0.232 164 G C -0.500 174.369 174.900 -0.052 0.000 1.458 164 G CA -0.636 44.428 45.100 -0.061 0.000 1.062 164 G HN 0.520 nan 8.290 nan 0.000 0.566 165 I N 1.032 121.496 120.570 -0.177 0.000 2.683 165 I HA 0.235 4.399 4.170 -0.010 0.000 0.286 165 I C 0.481 176.511 176.117 -0.144 0.000 1.175 165 I CA -1.282 59.884 61.300 -0.224 0.000 1.429 165 I CB -0.302 37.469 38.000 -0.381 0.000 1.371 165 I HN 0.326 nan 8.210 nan 0.000 0.569 166 F N 6.373 126.339 119.950 0.027 0.000 2.589 166 F HA 0.270 4.791 4.527 -0.010 0.000 0.352 166 F C 0.438 176.293 175.800 0.091 0.000 1.168 166 F CA -0.541 57.498 58.000 0.064 0.000 1.353 166 F CB -0.304 38.720 39.000 0.040 0.000 1.116 166 F HN 0.429 nan 8.300 nan 0.000 0.608 167 N N 2.422 121.310 118.700 0.312 0.000 2.458 167 N HA 0.059 4.793 4.740 -0.010 0.000 0.270 167 N C -0.827 174.921 175.510 0.397 0.000 1.102 167 N CA -0.293 52.906 53.050 0.248 0.000 0.967 167 N CB 1.212 39.833 38.487 0.223 0.000 1.078 167 N HN 0.755 nan 8.380 nan 0.000 0.471 168 Q N 2.457 122.460 119.800 0.339 0.000 2.274 168 Q HA 0.164 4.498 4.340 -0.010 0.000 0.256 168 Q C -0.932 175.238 176.000 0.283 0.000 0.927 168 Q CA -0.323 55.717 55.803 0.396 0.000 0.939 168 Q CB 0.672 29.645 28.738 0.391 0.000 1.201 168 Q HN 0.215 nan 8.270 nan 0.000 0.426 169 K N 4.140 124.681 120.400 0.235 0.000 2.259 169 K HA 0.473 4.787 4.320 -0.010 0.000 0.252 169 K C -0.714 175.975 176.600 0.150 0.000 0.936 169 K CA -0.877 55.522 56.287 0.187 0.000 0.810 169 K CB 1.586 34.178 32.500 0.155 0.000 1.143 169 K HN 0.625 nan 8.250 nan 0.000 0.427 170 I N 2.502 123.148 120.570 0.126 0.000 2.330 170 I HA 0.223 4.388 4.170 -0.010 0.000 0.289 170 I C -0.324 175.842 176.117 0.081 0.000 1.001 170 I CA -0.673 60.670 61.300 0.072 0.000 1.193 170 I CB 0.761 38.777 38.000 0.027 0.000 1.345 170 I HN 0.411 nan 8.210 nan 0.000 0.461 171 C N 3.948 123.308 119.300 0.101 0.000 2.346 171 C HA 0.591 5.045 4.460 -0.010 0.000 0.326 171 C C 1.108 176.198 174.990 0.166 0.000 1.224 171 C CA -0.480 58.605 59.018 0.112 0.000 1.408 171 C CB 0.592 28.392 27.740 0.099 0.000 2.089 171 C HN 1.084 nan 8.230 nan 0.000 0.456 172 G N 2.406 111.281 108.800 0.125 0.000 2.225 172 G HA2 0.112 4.066 3.960 -0.010 0.000 0.267 172 G HA3 0.112 4.066 3.960 -0.010 0.000 0.267 172 G C 1.112 176.064 174.900 0.087 0.000 1.024 172 G CA 1.040 46.233 45.100 0.154 0.000 0.784 172 G HN 2.404 nan 8.290 nan 0.000 0.507 173 G N -2.901 105.882 108.800 -0.028 0.000 2.205 173 G HA2 -0.294 3.660 3.960 -0.010 0.000 0.261 173 G HA3 -0.294 3.660 3.960 -0.010 0.000 0.261 173 G C 0.390 175.078 174.900 -0.353 0.000 0.980 173 G CA 0.706 45.668 45.100 -0.229 0.000 0.632 173 G HN 1.205 nan 8.290 nan 0.000 0.533 174 W N 0.876 122.116 121.300 -0.099 0.000 2.516 174 W HA 0.670 5.324 4.660 -0.010 0.000 0.343 174 W C 0.642 177.098 176.519 -0.104 0.000 1.094 174 W CA -0.822 56.457 57.345 -0.110 0.000 1.250 174 W CB 0.766 30.180 29.460 -0.077 0.000 1.308 174 W HN 0.250 nan 8.180 nan 0.000 0.588 175 Q N 2.825 122.713 119.800 0.147 0.000 2.304 175 Q HA 0.272 4.606 4.340 -0.010 0.000 0.260 175 Q C -0.683 175.366 176.000 0.082 0.000 0.965 175 Q CA 0.107 55.963 55.803 0.088 0.000 0.898 175 Q CB 0.565 29.346 28.738 0.072 0.000 1.196 175 Q HN 0.308 nan 8.270 nan 0.000 0.402 176 M N 3.231 122.875 119.600 0.073 0.000 2.393 176 M HA 0.375 4.849 4.480 -0.010 0.000 0.316 176 M C -1.236 175.071 176.300 0.012 0.000 1.087 176 M CA -0.674 54.640 55.300 0.023 0.000 0.937 176 M CB 1.830 34.459 32.600 0.047 0.000 1.668 176 M HN 0.619 nan 8.290 nan 0.000 0.438 177 E N 1.899 122.034 120.200 -0.109 0.000 2.191 177 E HA 0.500 4.844 4.350 -0.010 0.000 0.278 177 E C -0.629 175.960 176.600 -0.018 0.000 0.972 177 E CA -0.570 55.734 56.400 -0.160 0.000 0.804 177 E CB 1.621 30.949 29.700 -0.621 0.000 1.110 177 E HN 0.524 nan 8.360 nan 0.000 0.394 178 E N 0.965 121.237 120.200 0.121 0.000 2.340 178 E HA 0.693 5.037 4.350 -0.010 0.000 0.273 178 E C -1.104 175.594 176.600 0.163 0.000 0.891 178 E CA -1.472 54.991 56.400 0.104 0.000 0.757 178 E CB 1.426 31.193 29.700 0.112 0.000 1.231 178 E HN 0.470 nan 8.360 nan 0.000 0.439 179 A N 2.355 125.234 122.820 0.097 0.000 2.567 179 A HA 0.029 4.343 4.320 -0.010 0.000 0.240 179 A C -0.033 177.734 177.584 0.306 0.000 1.053 179 A CA 0.424 52.542 52.037 0.134 0.000 0.755 179 A CB -0.061 18.898 19.000 -0.070 0.000 0.978 179 A HN 0.686 nan 8.150 nan 0.000 0.507 180 D N 1.756 122.404 120.400 0.414 0.000 2.494 180 D HA 0.199 4.833 4.640 -0.010 0.000 0.217 180 D C -0.429 176.184 176.300 0.521 0.000 1.153 180 D CA -0.201 54.035 54.000 0.394 0.000 0.954 180 D CB 0.336 41.305 40.800 0.281 0.000 1.034 180 D HN 0.385 nan 8.370 nan 0.000 0.518 181 D N 3.733 124.397 120.400 0.442 0.000 2.801 181 D HA -0.027 4.607 4.640 -0.010 0.000 0.232 181 D C 1.192 177.607 176.300 0.191 0.000 1.128 181 D CA -0.552 53.606 54.000 0.263 0.000 1.003 181 D CB -0.205 40.755 40.800 0.266 0.000 1.110 181 D HN 0.547 nan 8.370 nan 0.000 0.477 182 W N 1.704 123.023 121.300 0.031 0.000 2.538 182 W HA -0.061 4.593 4.660 -0.010 0.000 0.254 182 W C 0.049 176.607 176.519 0.065 0.000 1.249 182 W CA 0.151 57.539 57.345 0.072 0.000 1.253 182 W CB -0.754 28.756 29.460 0.084 0.000 1.130 182 W HN 0.199 nan 8.180 nan 0.000 0.618 183 L N 0.786 121.653 121.223 -0.593 0.000 2.607 183 L HA 0.186 4.520 4.340 -0.010 0.000 0.228 183 L C 2.737 179.428 176.870 -0.299 0.000 1.123 183 L CA -0.070 54.388 54.840 -0.637 0.000 0.890 183 L CB -0.620 40.938 42.059 -0.834 0.000 1.103 183 L HN -0.116 nan 8.230 nan 0.000 0.468 184 R N 0.769 121.139 120.500 -0.216 0.000 2.133 184 R HA -0.249 4.085 4.340 -0.010 0.000 0.245 184 R C 1.395 177.479 176.300 -0.360 0.000 1.137 184 R CA 2.245 58.167 56.100 -0.296 0.000 0.947 184 R CB -0.240 29.843 30.300 -0.362 0.000 0.865 184 R HN 0.295 nan 8.270 nan 0.000 0.437 185 Y N -0.502 119.815 120.300 0.029 0.000 2.468 185 Y HA 0.328 4.872 4.550 -0.010 0.000 0.268 185 Y C 0.851 176.740 175.900 -0.017 0.000 1.177 185 Y CA 0.499 58.623 58.100 0.041 0.000 1.265 185 Y CB 0.796 39.400 38.460 0.239 0.000 1.103 185 Y HN 0.469 nan 8.280 nan 0.000 0.522 186 G N 1.230 110.068 108.800 0.064 0.000 2.662 186 G HA2 -0.206 3.748 3.960 -0.010 0.000 0.686 186 G HA3 -0.206 3.748 3.960 -0.010 0.000 0.686 186 G C -1.262 173.709 174.900 0.117 0.000 1.271 186 G CA -0.818 44.288 45.100 0.011 0.000 0.816 186 G HN 0.241 nan 8.290 nan 0.000 0.608 187 N N 1.156 119.871 118.700 0.025 0.000 2.573 187 N HA 0.541 5.275 4.740 -0.010 0.000 0.262 187 N C -0.623 174.886 175.510 -0.002 0.000 1.029 187 N CA -1.867 51.215 53.050 0.055 0.000 0.882 187 N CB 2.084 40.544 38.487 -0.044 0.000 1.204 187 N HN 0.267 nan 8.380 nan 0.000 0.519 188 P HA -0.015 nan 4.420 nan 0.000 0.226 188 P C 0.647 177.628 177.300 -0.532 0.000 1.153 188 P CA 0.773 63.554 63.100 -0.532 0.000 0.777 188 P CB 0.137 31.207 31.700 -1.050 0.000 0.794 189 W N 2.016 123.325 121.300 0.014 0.000 2.523 189 W HA 0.032 4.686 4.660 -0.010 0.000 0.278 189 W C 1.389 177.945 176.519 0.060 0.000 1.236 189 W CA -0.274 57.077 57.345 0.009 0.000 1.306 189 W CB -0.413 29.054 29.460 0.012 0.000 1.101 189 W HN 0.013 nan 8.180 nan 0.000 0.577 190 E N 1.752 122.129 120.200 0.295 0.000 2.349 190 E HA 0.294 4.638 4.350 -0.010 0.000 0.262 190 E C -0.556 176.216 176.600 0.286 0.000 1.088 190 E CA -0.666 55.916 56.400 0.303 0.000 0.899 190 E CB 1.163 31.058 29.700 0.324 0.000 1.044 190 E HN -0.338 nan 8.360 nan 0.000 0.420 191 K N 1.318 121.904 120.400 0.310 0.000 2.535 191 K HA 0.418 4.732 4.320 -0.010 0.000 0.253 191 K C -1.284 175.357 176.600 0.068 0.000 0.953 191 K CA -0.530 55.879 56.287 0.204 0.000 0.863 191 K CB 1.559 34.194 32.500 0.226 0.000 1.111 191 K HN 0.662 nan 8.250 nan 0.000 0.431 192 A N 4.200 126.975 122.820 -0.075 0.000 2.477 192 A HA 0.440 4.754 4.320 -0.010 0.000 0.246 192 A C -0.289 177.123 177.584 -0.288 0.000 1.078 192 A CA -0.229 51.520 52.037 -0.480 0.000 0.770 192 A CB 0.252 18.950 19.000 -0.503 0.000 1.011 192 A HN 0.647 nan 8.150 nan 0.000 0.494 193 R N 3.107 123.422 120.500 -0.308 0.000 2.835 193 R HA 0.204 4.538 4.340 -0.010 0.000 0.290 193 R C -2.329 173.822 176.300 -0.248 0.000 1.410 193 R CA -1.698 54.289 56.100 -0.188 0.000 1.590 193 R CB 0.728 31.094 30.300 0.111 0.000 1.288 193 R HN 0.593 nan 8.270 nan 0.000 0.637 194 P HA -0.204 nan 4.420 nan 0.000 0.219 194 P C 0.887 178.052 177.300 -0.225 0.000 1.146 194 P CA 1.208 64.198 63.100 -0.183 0.000 0.808 194 P CB 0.373 31.986 31.700 -0.146 0.000 0.779 195 E N 0.213 120.142 120.200 -0.452 0.000 2.409 195 E HA -0.138 4.206 4.350 -0.010 0.000 0.198 195 E C 0.817 177.099 176.600 -0.529 0.000 1.024 195 E CA 0.734 56.803 56.400 -0.552 0.000 0.861 195 E CB -0.994 28.248 29.700 -0.764 0.000 0.788 195 E HN 0.387 nan 8.360 nan 0.000 0.521 196 F N 1.643 121.608 119.950 0.025 0.000 2.750 196 F HA 0.245 4.766 4.527 -0.010 0.000 0.297 196 F C 0.477 176.365 175.800 0.146 0.000 1.138 196 F CA -0.706 57.336 58.000 0.070 0.000 1.346 196 F CB 0.618 39.652 39.000 0.057 0.000 0.965 196 F HN -0.285 nan 8.300 nan 0.000 0.514 197 T N 2.797 117.470 114.554 0.199 0.000 2.916 197 T HA 0.269 4.613 4.350 -0.010 0.000 0.303 197 T C -0.215 174.584 174.700 0.165 0.000 1.025 197 T CA 0.276 62.502 62.100 0.210 0.000 1.142 197 T CB 0.818 69.760 68.868 0.123 0.000 0.947 197 T HN -0.113 nan 8.240 nan 0.000 0.544 198 L N 5.554 126.846 121.223 0.115 0.000 2.341 198 L HA 0.581 4.915 4.340 -0.010 0.000 0.267 198 L C -2.158 174.662 176.870 -0.082 0.000 1.009 198 L CA -2.493 52.342 54.840 -0.009 0.000 0.819 198 L CB 1.813 43.806 42.059 -0.110 0.000 1.323 198 L HN 0.391 nan 8.230 nan 0.000 0.425 199 P HA 0.378 nan 4.420 nan 0.000 0.288 199 P C -1.275 175.885 177.300 -0.234 0.000 1.267 199 P CA -0.395 62.614 63.100 -0.153 0.000 0.815 199 P CB 1.961 33.571 31.700 -0.151 0.000 0.989 200 V N 3.737 123.491 119.914 -0.266 0.000 2.656 200 V HA 0.333 4.448 4.120 -0.010 0.000 0.307 200 V C 0.133 175.986 176.094 -0.402 0.000 1.051 200 V CA -0.617 61.518 62.300 -0.276 0.000 0.893 200 V CB 1.604 33.321 31.823 -0.176 0.000 0.999 200 V HN 0.615 nan 8.190 nan 0.000 0.426 201 H N 3.693 122.600 119.070 -0.272 0.000 2.499 201 H HA 0.644 5.195 4.556 -0.010 0.000 0.340 201 H C -1.297 173.732 175.328 -0.499 0.000 1.148 201 H CA -0.163 55.642 56.048 -0.406 0.000 1.215 201 H CB 2.000 31.283 29.762 -0.797 0.000 1.529 201 H HN 0.482 nan 8.280 nan 0.000 0.510 202 F N 0.001 119.993 119.950 0.069 0.000 2.613 202 F HA 0.204 4.725 4.527 -0.010 0.000 0.314 202 F C -0.266 175.630 175.800 0.160 0.000 1.075 202 F CA -0.579 57.458 58.000 0.063 0.000 0.945 202 F CB 1.062 39.999 39.000 -0.105 0.000 1.310 202 F HN 0.540 nan 8.300 nan 0.000 0.467 203 Y N 0.201 120.783 120.300 0.471 0.000 2.896 203 Y HA -0.004 4.540 4.550 -0.010 0.000 0.466 203 Y C 1.322 177.463 175.900 0.402 0.000 1.196 203 Y CA 0.734 59.034 58.100 0.333 0.000 2.514 203 Y CB -1.883 36.702 38.460 0.209 0.000 1.231 203 Y HN 1.306 nan 8.280 nan 0.000 0.632 204 G N 0.551 109.621 108.800 0.451 0.000 2.642 204 G HA2 0.109 4.063 3.960 -0.010 0.000 0.231 204 G HA3 0.109 4.063 3.960 -0.010 0.000 0.231 204 G C -0.591 174.518 174.900 0.349 0.000 1.338 204 G CA 0.770 46.060 45.100 0.315 0.000 0.883 204 G HN 1.343 nan 8.290 nan 0.000 0.570 205 R N -2.513 118.184 120.500 0.329 0.000 2.752 205 R HA 0.731 5.065 4.340 -0.010 0.000 0.271 205 R C -1.372 175.061 176.300 0.221 0.000 1.026 205 R CA -0.988 55.250 56.100 0.230 0.000 0.901 205 R CB 1.394 31.776 30.300 0.137 0.000 1.243 205 R HN 0.888 nan 8.270 nan 0.000 0.463 206 V N 0.852 120.809 119.914 0.072 0.000 2.398 206 V HA 0.366 4.480 4.120 -0.010 0.000 0.286 206 V C -0.227 175.785 176.094 -0.137 0.000 1.026 206 V CA -0.577 61.693 62.300 -0.050 0.000 0.868 206 V CB 1.362 33.083 31.823 -0.171 0.000 0.982 206 V HN 0.689 nan 8.190 nan 0.000 0.443 207 E N 2.752 122.858 120.200 -0.156 0.000 2.171 207 E HA 0.413 4.757 4.350 -0.010 0.000 0.271 207 E C -1.041 175.411 176.600 -0.248 0.000 0.916 207 E CA -0.745 55.575 56.400 -0.133 0.000 0.774 207 E CB 1.051 30.732 29.700 -0.030 0.000 1.128 207 E HN 0.667 nan 8.360 nan 0.000 0.403 208 H N 2.643 121.728 119.070 0.025 0.000 2.685 208 H HA 0.168 4.718 4.556 -0.010 0.000 0.286 208 H C -0.108 175.229 175.328 0.015 0.000 1.102 208 H CA -0.260 55.798 56.048 0.016 0.000 1.254 208 H CB 0.559 30.326 29.762 0.009 0.000 1.397 208 H HN 0.499 nan 8.280 nan 0.000 0.473 209 T N -0.507 114.105 114.554 0.095 0.000 2.927 209 T HA 0.169 4.513 4.350 -0.010 0.000 0.281 209 T C 1.588 176.326 174.700 0.062 0.000 0.998 209 T CA -0.704 61.435 62.100 0.064 0.000 1.019 209 T CB 1.447 70.338 68.868 0.037 0.000 1.061 209 T HN 0.357 nan 8.240 nan 0.000 0.518 210 S N 0.580 116.307 115.700 0.044 0.000 2.406 210 S HA -0.225 4.239 4.470 -0.010 0.000 0.242 210 S C 1.055 175.677 174.600 0.036 0.000 1.079 210 S CA 1.676 59.897 58.200 0.035 0.000 1.133 210 S CB -0.496 62.719 63.200 0.026 0.000 1.005 210 S HN 0.790 nan 8.310 nan 0.000 0.443 211 Q N 0.423 120.244 119.800 0.036 0.000 2.721 211 Q HA 0.552 4.886 4.340 -0.010 0.000 0.257 211 Q C 0.022 176.047 176.000 0.041 0.000 1.070 211 Q CA 0.455 56.280 55.803 0.035 0.000 0.910 211 Q CB 0.659 29.414 28.738 0.028 0.000 1.163 211 Q HN 0.553 nan 8.270 nan 0.000 0.501 212 G N 0.541 109.376 108.800 0.058 0.000 2.619 212 G HA2 0.187 4.141 3.960 -0.010 0.000 0.686 212 G HA3 0.187 4.141 3.960 -0.010 0.000 0.686 212 G C -0.905 174.040 174.900 0.074 0.000 1.256 212 G CA -0.645 44.495 45.100 0.066 0.000 0.826 212 G HN 0.656 nan 8.290 nan 0.000 0.619 213 A N 0.848 123.708 122.820 0.066 0.000 2.302 213 A HA 0.825 5.139 4.320 -0.010 0.000 0.285 213 A C 0.251 177.811 177.584 -0.040 0.000 1.105 213 A CA -0.172 51.852 52.037 -0.023 0.000 0.816 213 A CB 0.904 19.873 19.000 -0.051 0.000 1.067 213 A HN 0.702 nan 8.150 nan 0.000 0.489 214 K N 0.608 120.967 120.400 -0.069 0.000 2.378 214 K HA 0.225 4.539 4.320 -0.010 0.000 0.252 214 K C -1.834 174.808 176.600 0.071 0.000 0.931 214 K CA -0.225 56.063 56.287 0.001 0.000 0.794 214 K CB 2.056 34.555 32.500 -0.002 0.000 1.181 214 K HN 0.760 nan 8.250 nan 0.000 0.425 215 W N 5.199 126.424 121.300 -0.124 0.000 2.283 215 W HA 0.370 5.024 4.660 -0.010 0.000 0.317 215 W C -0.547 175.912 176.519 -0.100 0.000 1.042 215 W CA -0.996 56.280 57.345 -0.115 0.000 1.348 215 W CB 0.039 29.421 29.460 -0.131 0.000 1.216 215 W HN 0.290 nan 8.180 nan 0.000 0.404 216 V N 2.568 122.537 119.914 0.092 0.000 3.158 216 V HA 0.609 4.723 4.120 -0.010 0.000 0.315 216 V C -0.017 176.053 176.094 -0.040 0.000 1.148 216 V CA -0.898 61.375 62.300 -0.045 0.000 1.042 216 V CB 1.903 33.727 31.823 0.002 0.000 1.101 216 V HN 0.451 nan 8.190 nan 0.000 0.448 217 D N 0.283 120.659 120.400 -0.039 0.000 2.708 217 D HA -0.143 4.491 4.640 -0.010 0.000 0.236 217 D C 0.544 176.847 176.300 0.005 0.000 1.146 217 D CA 1.455 55.455 54.000 0.000 0.000 0.662 217 D CB -1.625 39.198 40.800 0.038 0.000 1.059 217 D HN 1.263 nan 8.370 nan 0.000 0.428 218 T N -3.034 111.475 114.554 -0.075 0.000 2.874 218 T HA 0.383 4.727 4.350 -0.010 0.000 0.281 218 T C 0.283 175.026 174.700 0.072 0.000 0.994 218 T CA -0.800 61.269 62.100 -0.052 0.000 1.015 218 T CB 2.661 71.326 68.868 -0.339 0.000 1.028 218 T HN 0.156 nan 8.240 nan 0.000 0.523 219 Q N 0.963 120.869 119.800 0.177 0.000 2.256 219 Q HA 0.503 4.837 4.340 -0.010 0.000 0.254 219 Q C -1.373 174.714 176.000 0.144 0.000 0.916 219 Q CA -0.768 55.150 55.803 0.193 0.000 0.932 219 Q CB 1.156 30.096 28.738 0.337 0.000 1.207 219 Q HN 0.629 nan 8.270 nan 0.000 0.426 220 V N 4.352 124.294 119.914 0.046 0.000 2.427 220 V HA 0.443 4.557 4.120 -0.010 0.000 0.286 220 V C -0.365 175.759 176.094 0.050 0.000 1.034 220 V CA -0.604 61.651 62.300 -0.075 0.000 0.893 220 V CB 1.699 33.424 31.823 -0.164 0.000 0.982 220 V HN 0.588 nan 8.190 nan 0.000 0.452 221 V N 5.879 125.852 119.914 0.098 0.000 2.588 221 V HA 0.481 4.595 4.120 -0.010 0.000 0.304 221 V C -0.230 175.964 176.094 0.166 0.000 1.042 221 V CA -0.611 61.801 62.300 0.187 0.000 0.877 221 V CB 1.978 34.010 31.823 0.349 0.000 0.996 221 V HN 0.639 nan 8.190 nan 0.000 0.425 222 L N 3.577 124.900 121.223 0.166 0.000 2.350 222 L HA 0.752 5.086 4.340 -0.010 0.000 0.275 222 L C 0.448 177.502 176.870 0.306 0.000 1.099 222 L CA -0.374 54.561 54.840 0.159 0.000 0.808 222 L CB 1.381 43.513 42.059 0.121 0.000 1.149 222 L HN 0.750 nan 8.230 nan 0.000 0.442 223 A N 5.026 127.961 122.820 0.192 0.000 2.267 223 A HA 0.567 4.881 4.320 -0.010 0.000 0.315 223 A C -0.463 177.380 177.584 0.431 0.000 1.297 223 A CA -0.472 51.705 52.037 0.234 0.000 0.865 223 A CB 0.890 19.551 19.000 -0.565 0.000 1.165 223 A HN 0.790 nan 8.150 nan 0.000 0.513 224 M N 6.238 126.158 119.600 0.534 0.000 2.113 224 M HA 0.440 4.914 4.480 -0.010 0.000 0.352 224 M C -2.564 174.024 176.300 0.480 0.000 1.170 224 M CA -2.090 53.468 55.300 0.431 0.000 1.053 224 M CB 1.954 34.729 32.600 0.291 0.000 1.601 224 M HN 0.374 nan 8.290 nan 0.000 0.459 225 P HA 0.243 nan 4.420 nan 0.000 0.288 225 P C -1.976 175.270 177.300 -0.089 0.000 1.267 225 P CA -0.107 62.954 63.100 -0.065 0.000 0.815 225 P CB 0.691 32.167 31.700 -0.373 0.000 0.989 226 Y N 0.770 121.031 120.300 -0.066 0.000 2.350 226 Y HA 0.327 4.871 4.550 -0.010 0.000 0.338 226 Y C 0.226 176.123 175.900 -0.005 0.000 0.961 226 Y CA -0.211 57.899 58.100 0.017 0.000 1.100 226 Y CB 1.469 39.966 38.460 0.061 0.000 1.179 226 Y HN 0.224 nan 8.280 nan 0.000 0.454 227 D N 1.948 122.462 120.400 0.190 0.000 2.192 227 D HA 0.422 5.056 4.640 -0.010 0.000 0.246 227 D C -0.644 175.881 176.300 0.375 0.000 1.042 227 D CA -0.281 53.864 54.000 0.242 0.000 0.847 227 D CB 1.903 42.868 40.800 0.276 0.000 1.186 227 D HN 0.369 nan 8.370 nan 0.000 0.461 228 T N 2.973 117.651 114.554 0.207 0.000 2.824 228 T HA 0.477 4.821 4.350 -0.010 0.000 0.282 228 T C -2.529 171.999 174.700 -0.286 0.000 0.993 228 T CA -1.455 60.662 62.100 0.028 0.000 0.967 228 T CB 2.117 70.998 68.868 0.022 0.000 0.960 228 T HN 0.173 nan 8.240 nan 0.000 0.441 229 P HA 0.331 nan 4.420 nan 0.000 0.279 229 P C -1.028 175.935 177.300 -0.563 0.000 1.239 229 P CA -0.411 61.986 63.100 -1.172 0.000 0.789 229 P CB 0.909 31.652 31.700 -1.595 0.000 0.933 230 V N 5.480 125.132 119.914 -0.437 0.000 2.305 230 V HA 0.261 4.375 4.120 -0.010 0.000 0.275 230 V C -1.982 173.985 176.094 -0.213 0.000 1.020 230 V CA -1.916 60.226 62.300 -0.263 0.000 0.811 230 V CB 1.350 33.066 31.823 -0.178 0.000 1.031 230 V HN 0.556 nan 8.190 nan 0.000 0.439 231 P HA 0.272 nan 4.420 nan 0.000 0.280 231 P C 0.312 177.567 177.300 -0.075 0.000 1.244 231 P CA 0.277 63.295 63.100 -0.136 0.000 0.784 231 P CB 1.770 33.386 31.700 -0.140 0.000 0.913 232 G N 2.190 110.964 108.800 -0.044 0.000 2.562 232 G HA2 0.162 4.116 3.960 -0.010 0.000 0.275 232 G HA3 0.162 4.116 3.960 -0.010 0.000 0.275 232 G C -1.210 173.705 174.900 0.025 0.000 1.196 232 G CA -0.619 44.483 45.100 0.003 0.000 0.908 232 G HN 0.527 nan 8.290 nan 0.000 0.524 233 Y N 1.032 121.298 120.300 -0.058 0.000 2.584 233 Y HA 0.236 4.780 4.550 -0.010 0.000 0.351 233 Y C 1.398 177.264 175.900 -0.058 0.000 1.030 233 Y CA -0.210 57.851 58.100 -0.065 0.000 1.332 233 Y CB -0.011 38.408 38.460 -0.068 0.000 1.148 233 Y HN 0.717 nan 8.280 nan 0.000 0.528 234 R N 3.276 123.461 120.500 -0.524 0.000 3.484 234 R HA -0.328 4.006 4.340 -0.010 0.000 0.260 234 R C -0.007 176.152 176.300 -0.235 0.000 1.053 234 R CA 1.353 57.179 56.100 -0.458 0.000 0.703 234 R CB -2.134 27.724 30.300 -0.736 0.000 1.089 234 R HN 0.951 nan 8.270 nan 0.000 0.459 235 N N -0.804 117.813 118.700 -0.138 0.000 2.170 235 N HA 0.047 4.781 4.740 -0.010 0.000 0.222 235 N C -0.124 175.345 175.510 -0.068 0.000 1.218 235 N CA -0.559 52.444 53.050 -0.078 0.000 0.889 235 N CB 0.510 38.978 38.487 -0.031 0.000 1.083 235 N HN 0.079 nan 8.380 nan 0.000 0.520 236 N N -0.120 118.534 118.700 -0.077 0.000 2.753 236 N HA -0.132 4.602 4.740 -0.010 0.000 0.251 236 N C -1.004 174.475 175.510 -0.053 0.000 1.097 236 N CA 0.578 53.591 53.050 -0.061 0.000 0.786 236 N CB -1.264 37.186 38.487 -0.060 0.000 1.137 236 N HN 0.196 nan 8.380 nan 0.000 0.566 237 V N 1.097 120.985 119.914 -0.043 0.000 2.439 237 V HA 0.473 4.587 4.120 -0.010 0.000 0.282 237 V C 0.544 176.621 176.094 -0.029 0.000 1.039 237 V CA -0.510 61.774 62.300 -0.026 0.000 0.913 237 V CB 2.196 34.027 31.823 0.014 0.000 0.983 237 V HN -0.043 nan 8.190 nan 0.000 0.460 238 V N 5.353 125.258 119.914 -0.016 0.000 2.419 238 V HA 0.442 4.556 4.120 -0.010 0.000 0.287 238 V C -0.140 175.967 176.094 0.021 0.000 1.017 238 V CA -0.846 61.420 62.300 -0.056 0.000 0.844 238 V CB 1.505 33.281 31.823 -0.079 0.000 1.011 238 V HN 0.841 nan 8.190 nan 0.000 0.429 239 N N 1.951 120.630 118.700 -0.034 0.000 2.476 239 N HA 0.583 5.317 4.740 -0.010 0.000 0.287 239 N C -0.056 175.459 175.510 0.008 0.000 1.262 239 N CA -0.305 52.749 53.050 0.007 0.000 0.980 239 N CB 1.270 39.712 38.487 -0.075 0.000 1.163 239 N HN 0.584 nan 8.380 nan 0.000 0.592 240 T N 0.705 115.278 114.554 0.033 0.000 2.841 240 T HA 0.436 4.780 4.350 -0.010 0.000 0.283 240 T C -0.284 174.393 174.700 -0.037 0.000 1.000 240 T CA -0.522 61.660 62.100 0.137 0.000 0.977 240 T CB 1.185 70.260 68.868 0.345 0.000 0.979 240 T HN 0.312 nan 8.240 nan 0.000 0.446 241 M N 3.614 123.154 119.600 -0.100 0.000 2.114 241 M HA 0.516 4.990 4.480 -0.010 0.000 0.332 241 M C -0.629 175.516 176.300 -0.259 0.000 1.014 241 M CA -0.764 54.378 55.300 -0.263 0.000 0.956 241 M CB 0.901 33.297 32.600 -0.340 0.000 1.551 241 M HN 0.513 nan 8.290 nan 0.000 0.427 242 R N 4.824 125.050 120.500 -0.457 0.000 2.295 242 R HA 0.568 4.903 4.340 -0.010 0.000 0.324 242 R C -2.016 173.994 176.300 -0.483 0.000 0.968 242 R CA -0.593 55.198 56.100 -0.515 0.000 0.837 242 R CB 0.969 30.770 30.300 -0.830 0.000 1.133 242 R HN 0.641 nan 8.270 nan 0.000 0.450 243 L N 5.561 126.619 121.223 -0.276 0.000 2.313 243 L HA 0.467 4.801 4.340 -0.010 0.000 0.283 243 L C -1.014 175.840 176.870 -0.026 0.000 1.013 243 L CA -0.547 54.236 54.840 -0.096 0.000 0.816 243 L CB 1.145 43.228 42.059 0.041 0.000 1.236 243 L HN 0.632 nan 8.230 nan 0.000 0.419 244 W N 2.286 123.716 121.300 0.217 0.000 2.316 244 W HA 0.589 5.244 4.660 -0.010 0.000 0.321 244 W C 0.571 177.333 176.519 0.405 0.000 1.203 244 W CA -0.278 57.220 57.345 0.256 0.000 1.214 244 W CB 1.414 30.885 29.460 0.018 0.000 1.169 244 W HN 0.445 nan 8.180 nan 0.000 0.561 245 S N 1.897 118.031 115.700 0.725 0.000 2.500 245 S HA 0.763 5.227 4.470 -0.010 0.000 0.301 245 S C -0.452 174.504 174.600 0.593 0.000 1.092 245 S CA -0.729 57.795 58.200 0.541 0.000 1.030 245 S CB 0.632 64.097 63.200 0.443 0.000 1.031 245 S HN 0.539 nan 8.310 nan 0.000 0.483 246 A N 4.865 127.872 122.820 0.313 0.000 2.366 246 A HA 0.637 4.951 4.320 -0.010 0.000 0.272 246 A C -0.070 177.613 177.584 0.165 0.000 1.135 246 A CA -0.216 51.907 52.037 0.144 0.000 0.804 246 A CB 0.330 19.148 19.000 -0.305 0.000 1.064 246 A HN 0.672 nan 8.150 nan 0.000 0.499 247 K N 0.990 121.505 120.400 0.191 0.000 2.468 247 K HA 0.612 4.926 4.320 -0.010 0.000 0.252 247 K C -0.596 176.069 176.600 0.108 0.000 0.932 247 K CA -0.427 55.945 56.287 0.141 0.000 0.794 247 K CB 2.296 34.892 32.500 0.159 0.000 1.241 247 K HN 0.834 nan 8.250 nan 0.000 0.428 248 A N 4.163 127.027 122.820 0.074 0.000 2.354 248 A HA 0.518 4.832 4.320 -0.010 0.000 0.269 248 A C -2.104 175.511 177.584 0.051 0.000 1.109 248 A CA -1.122 50.949 52.037 0.057 0.000 0.800 248 A CB -0.135 18.887 19.000 0.036 0.000 1.045 248 A HN 0.377 nan 8.150 nan 0.000 0.489 249 P HA 0.139 nan 4.420 nan 0.000 0.274 249 P C -0.194 177.124 177.300 0.031 0.000 1.246 249 P CA -0.285 62.836 63.100 0.035 0.000 0.795 249 P CB 0.673 32.389 31.700 0.025 0.000 1.006 250 N N -0.595 118.123 118.700 0.030 0.000 2.422 250 N HA -0.036 4.698 4.740 -0.010 0.000 0.181 250 N C 0.618 176.148 175.510 0.033 0.000 1.080 250 N CA -0.017 53.052 53.050 0.031 0.000 0.893 250 N CB 0.065 38.571 38.487 0.032 0.000 0.973 250 N HN 0.602 nan 8.380 nan 0.000 0.456 261 G N -0.890 107.929 108.800 0.032 0.000 2.770 261 G HA2 0.127 4.081 3.960 -0.010 0.000 0.686 261 G HA3 0.127 4.081 3.960 -0.010 0.000 0.686 261 G C 0.074 175.015 174.900 0.068 0.000 1.180 261 G CA 0.145 45.278 45.100 0.055 0.000 0.767 261 G HN 1.123 nan 8.290 nan 0.000 0.646 262 Y N 2.665 122.966 120.300 0.002 0.000 2.097 262 Y HA -0.120 4.424 4.550 -0.010 0.000 0.282 262 Y C 2.673 178.575 175.900 0.004 0.000 1.152 262 Y CA 2.445 60.547 58.100 0.003 0.000 1.136 262 Y CB -0.085 38.377 38.460 0.003 0.000 0.975 262 Y HN 0.505 nan 8.280 nan 0.000 0.498 263 I N 0.575 121.051 120.570 -0.156 0.000 2.118 263 I HA -0.332 3.832 4.170 -0.010 0.000 0.241 263 I C 2.421 178.414 176.117 -0.206 0.000 1.070 263 I CA 1.613 62.771 61.300 -0.236 0.000 1.327 263 I CB -1.468 36.514 38.000 -0.031 0.000 1.034 263 I HN 0.386 nan 8.210 nan 0.000 0.405 264 Q N 0.407 120.143 119.800 -0.107 0.000 2.135 264 Q HA -0.141 4.193 4.340 -0.010 0.000 0.204 264 Q C 2.356 178.298 176.000 -0.098 0.000 0.981 264 Q CA 1.859 57.615 55.803 -0.079 0.000 0.856 264 Q CB -0.319 28.396 28.738 -0.039 0.000 0.902 264 Q HN 0.567 nan 8.270 nan 0.000 0.425 265 A N -0.118 122.630 122.820 -0.121 0.000 1.902 265 A HA -0.132 4.182 4.320 -0.010 0.000 0.217 265 A C 2.392 179.893 177.584 -0.138 0.000 1.181 265 A CA 1.616 53.590 52.037 -0.105 0.000 0.623 265 A CB -0.624 18.326 19.000 -0.083 0.000 0.818 265 A HN 0.227 nan 8.150 nan 0.000 0.443 266 V N 0.198 119.963 119.914 -0.248 0.000 2.358 266 V HA -0.226 3.888 4.120 -0.010 0.000 0.246 266 V C 2.523 178.541 176.094 -0.126 0.000 1.047 266 V CA 1.804 63.973 62.300 -0.218 0.000 1.035 266 V CB -0.741 30.872 31.823 -0.349 0.000 0.658 266 V HN 0.562 nan 8.190 nan 0.000 0.452 267 L N -0.226 120.926 121.223 -0.119 0.000 2.141 267 L HA -0.148 4.186 4.340 -0.010 0.000 0.209 267 L C 2.006 178.848 176.870 -0.046 0.000 1.094 267 L CA 1.259 56.058 54.840 -0.069 0.000 0.763 267 L CB -0.672 41.351 42.059 -0.060 0.000 0.908 267 L HN 0.339 nan 8.230 nan 0.000 0.437 268 D N -0.005 120.366 120.400 -0.050 0.000 2.378 268 D HA -0.071 4.563 4.640 -0.010 0.000 0.227 268 D C 2.112 178.399 176.300 -0.022 0.000 1.012 268 D CA 0.427 54.408 54.000 -0.032 0.000 0.905 268 D CB 0.024 40.805 40.800 -0.032 0.000 0.895 268 D HN 0.264 nan 8.370 nan 0.000 0.532 269 R N 0.449 120.934 120.500 -0.024 0.000 2.120 269 R HA -0.032 4.302 4.340 -0.010 0.000 0.234 269 R C 1.644 177.945 176.300 0.002 0.000 1.123 269 R CA 0.610 56.705 56.100 -0.009 0.000 0.975 269 R CB -0.070 30.225 30.300 -0.009 0.000 0.866 269 R HN 0.149 nan 8.270 nan 0.000 0.446 270 N N 0.648 119.348 118.700 0.000 0.000 2.364 270 N HA -0.136 4.598 4.740 -0.010 0.000 0.183 270 N C 1.468 176.982 175.510 0.006 0.000 1.022 270 N CA 0.848 53.904 53.050 0.010 0.000 0.883 270 N CB -0.002 38.492 38.487 0.012 0.000 0.965 270 N HN 0.099 nan 8.380 nan 0.000 0.438 271 L N 1.087 122.309 121.223 -0.002 0.000 2.083 271 L HA -0.088 4.246 4.340 -0.010 0.000 0.209 271 L C 2.316 179.177 176.870 -0.015 0.000 1.083 271 L CA 1.265 56.101 54.840 -0.006 0.000 0.752 271 L CB -0.889 41.164 42.059 -0.009 0.000 0.899 271 L HN 0.098 nan 8.230 nan 0.000 0.433 272 A N -1.166 121.648 122.820 -0.010 0.000 1.970 272 A HA -0.104 4.210 4.320 -0.010 0.000 0.216 272 A C 2.055 179.616 177.584 -0.038 0.000 1.170 272 A CA 0.927 52.952 52.037 -0.019 0.000 0.645 272 A CB -0.337 18.674 19.000 0.018 0.000 0.816 272 A HN 0.505 nan 8.150 nan 0.000 0.447 273 E N 0.281 120.476 120.200 -0.008 0.000 2.482 273 E HA -0.065 4.279 4.350 -0.010 0.000 0.196 273 E C 0.840 177.441 176.600 0.002 0.000 1.047 273 E CA 0.150 56.550 56.400 0.000 0.000 0.869 273 E CB -0.138 29.584 29.700 0.037 0.000 0.836 273 E HN 0.440 nan 8.360 nan 0.000 0.520 274 N N 1.086 119.786 118.700 -0.001 0.000 2.453 274 N HA -0.065 4.669 4.740 -0.010 0.000 0.183 274 N C 1.639 177.159 175.510 0.017 0.000 1.041 274 N CA 0.558 53.624 53.050 0.026 0.000 0.900 274 N CB -0.012 38.487 38.487 0.020 0.000 0.961 274 N HN 0.265 nan 8.380 nan 0.000 0.443 275 I N 0.446 120.972 120.570 -0.073 0.000 2.194 275 I HA -0.254 3.910 4.170 -0.010 0.000 0.246 275 I C 1.399 177.494 176.117 -0.037 0.000 1.093 275 I CA 1.287 62.511 61.300 -0.128 0.000 1.355 275 I CB -0.187 37.575 38.000 -0.396 0.000 1.046 275 I HN 0.131 nan 8.210 nan 0.000 0.413 276 S N -0.533 115.143 115.700 -0.040 0.000 2.574 276 S HA 0.187 4.651 4.470 -0.010 0.000 0.242 276 S C 1.447 176.188 174.600 0.236 0.000 0.982 276 S CA -0.554 57.707 58.200 0.101 0.000 0.977 276 S CB 0.273 63.516 63.200 0.072 0.000 0.814 276 S HN 0.207 nan 8.310 nan 0.000 0.464 277 R N 1.316 121.956 120.500 0.235 0.000 2.062 277 R HA 0.261 4.595 4.340 -0.010 0.000 0.229 277 R C 0.437 177.001 176.300 0.440 0.000 1.128 277 R CA 1.194 57.478 56.100 0.308 0.000 0.960 277 R CB -0.264 30.177 30.300 0.235 0.000 0.855 277 R HN 0.400 nan 8.270 nan 0.000 0.432 278 V N 0.126 120.252 119.914 0.355 0.000 3.012 278 V HA 0.372 4.486 4.120 -0.010 0.000 0.307 278 V C -1.629 174.455 176.094 -0.016 0.000 1.166 278 V CA -1.383 61.059 62.300 0.238 0.000 0.974 278 V CB 1.816 33.695 31.823 0.093 0.000 1.040 278 V HN 0.151 nan 8.190 nan 0.000 0.428 279 L N 6.199 127.196 121.223 -0.376 0.000 2.367 279 L HA 0.492 4.826 4.340 -0.010 0.000 0.275 279 L C -0.895 175.818 176.870 -0.262 0.000 1.129 279 L CA 0.391 54.780 54.840 -0.751 0.000 0.839 279 L CB 0.587 42.123 42.059 -0.873 0.000 1.133 279 L HN 0.679 nan 8.230 nan 0.000 0.453 280 Y N 6.862 127.073 120.300 -0.148 0.000 2.569 280 Y HA 0.200 4.744 4.550 -0.010 0.000 0.332 280 Y C -1.372 174.522 175.900 -0.010 0.000 1.120 280 Y CA -1.287 56.803 58.100 -0.018 0.000 1.416 280 Y CB 0.373 38.850 38.460 0.028 0.000 1.210 280 Y HN 0.567 nan 8.280 nan 0.000 0.528 281 P HA -0.010 nan 4.420 nan 0.000 0.258 281 P C -0.887 176.539 177.300 0.211 0.000 1.559 281 P CA 0.202 63.406 63.100 0.174 0.000 0.855 281 P CB 0.038 31.937 31.700 0.332 0.000 1.594 282 N N 1.228 120.061 118.700 0.222 0.000 2.438 282 N HA 0.186 4.920 4.740 -0.010 0.000 0.282 282 N C -0.730 174.931 175.510 0.252 0.000 1.037 282 N CA 0.005 53.208 53.050 0.255 0.000 0.942 282 N CB 1.284 39.964 38.487 0.321 0.000 1.136 282 N HN 0.067 nan 8.380 nan 0.000 0.481 283 D N 0.947 121.531 120.400 0.307 0.000 2.381 283 D HA 0.227 4.861 4.640 -0.010 0.000 0.235 283 D C -0.371 176.237 176.300 0.513 0.000 1.068 283 D CA -0.336 53.881 54.000 0.362 0.000 0.832 283 D CB 0.243 41.272 40.800 0.382 0.000 1.101 283 D HN 0.298 nan 8.370 nan 0.000 0.515 284 N N 2.934 121.851 118.700 0.361 0.000 2.740 284 N HA -0.250 4.484 4.740 -0.010 0.000 0.248 284 N C -1.366 174.390 175.510 0.409 0.000 1.062 284 N CA 0.758 53.990 53.050 0.304 0.000 0.704 284 N CB -0.924 37.665 38.487 0.171 0.000 0.968 284 N HN 0.398 nan 8.380 nan 0.000 0.547 285 F N 0.440 120.512 119.950 0.203 0.000 2.604 285 F HA 0.447 4.968 4.527 -0.010 0.000 0.316 285 F C -1.207 174.687 175.800 0.156 0.000 1.136 285 F CA -1.136 56.955 58.000 0.151 0.000 0.989 285 F CB 0.997 40.051 39.000 0.091 0.000 1.258 285 F HN -0.019 nan 8.300 nan 0.000 0.451 286 F N 5.921 125.410 119.950 -0.769 0.000 2.410 286 F HA 0.452 4.973 4.527 -0.010 0.000 0.349 286 F C -0.450 174.947 175.800 -0.672 0.000 1.117 286 F CA -0.182 57.462 58.000 -0.593 0.000 1.104 286 F CB 0.717 39.399 39.000 -0.529 0.000 1.122 286 F HN 0.592 nan 8.300 nan 0.000 0.483 287 E N 4.521 124.168 120.200 -0.921 0.000 2.186 287 E HA 0.295 4.639 4.350 -0.010 0.000 0.255 287 E C -0.169 175.746 176.600 -1.142 0.000 0.881 287 E CA -0.746 55.205 56.400 -0.749 0.000 0.752 287 E CB 1.246 30.860 29.700 -0.142 0.000 1.176 287 E HN 0.913 nan 8.360 nan 0.000 0.421 288 G N 5.331 113.319 108.800 -1.354 0.000 3.102 288 G HA2 0.029 3.983 3.960 -0.010 0.000 0.264 288 G HA3 0.029 3.983 3.960 -0.010 0.000 0.264 288 G C -0.071 174.753 174.900 -0.126 0.000 0.788 288 G CA -0.201 44.317 45.100 -0.969 0.000 2.029 288 G HN 0.203 nan 8.290 nan 0.000 0.608 289 K N 0.518 120.917 120.400 -0.001 0.000 2.130 289 K HA 0.198 4.513 4.320 -0.010 0.000 0.268 289 K C 0.961 177.703 176.600 0.237 0.000 0.983 289 K CA -0.694 55.674 56.287 0.136 0.000 0.893 289 K CB 2.244 34.825 32.500 0.135 0.000 1.066 289 K HN 0.433 nan 8.250 nan 0.000 0.450 290 E N 1.590 121.894 120.200 0.174 0.000 2.085 290 E HA -0.222 4.122 4.350 -0.010 0.000 0.194 290 E C 1.537 178.164 176.600 0.044 0.000 0.994 290 E CA 1.101 57.551 56.400 0.084 0.000 0.801 290 E CB 0.159 29.908 29.700 0.082 0.000 0.743 290 E HN 0.399 nan 8.360 nan 0.000 0.453 291 L N 1.352 122.646 121.223 0.119 0.000 2.042 291 L HA -0.195 4.139 4.340 -0.010 0.000 0.210 291 L C 2.463 179.432 176.870 0.164 0.000 1.076 291 L CA 1.892 56.821 54.840 0.148 0.000 0.749 291 L CB -0.558 41.660 42.059 0.265 0.000 0.893 291 L HN 0.014 nan 8.230 nan 0.000 0.432 292 R N -0.590 119.965 120.500 0.092 0.000 2.081 292 R HA -0.170 4.164 4.340 -0.010 0.000 0.235 292 R C 2.122 178.467 176.300 0.074 0.000 1.131 292 R CA 1.922 58.001 56.100 -0.035 0.000 0.960 292 R CB -1.027 29.053 30.300 -0.367 0.000 0.856 292 R HN 0.423 nan 8.270 nan 0.000 0.436 293 L N 0.810 121.981 121.223 -0.087 0.000 2.083 293 L HA -0.057 4.277 4.340 -0.010 0.000 0.209 293 L C 1.689 178.493 176.870 -0.111 0.000 1.083 293 L CA 1.870 56.447 54.840 -0.439 0.000 0.752 293 L CB -0.366 41.122 42.059 -0.952 0.000 0.899 293 L HN 0.154 nan 8.230 nan 0.000 0.433 294 K N -0.973 119.408 120.400 -0.031 0.000 2.057 294 K HA -0.182 4.132 4.320 -0.010 0.000 0.207 294 K C 2.073 178.834 176.600 0.268 0.000 1.049 294 K CA 1.735 58.070 56.287 0.080 0.000 0.931 294 K CB -0.175 32.196 32.500 -0.216 0.000 0.714 294 K HN 0.509 nan 8.250 nan 0.000 0.440 295 Q N 0.680 120.607 119.800 0.212 0.000 2.084 295 Q HA -0.192 4.142 4.340 -0.010 0.000 0.202 295 Q C 1.940 178.146 176.000 0.345 0.000 0.978 295 Q CA 1.447 57.434 55.803 0.308 0.000 0.844 295 Q CB -0.044 28.898 28.738 0.340 0.000 0.898 295 Q HN 0.387 nan 8.270 nan 0.000 0.426 296 E N -0.170 120.184 120.200 0.258 0.000 2.077 296 E HA -0.211 4.133 4.350 -0.010 0.000 0.193 296 E C 1.713 178.434 176.600 0.202 0.000 0.989 296 E CA 1.038 57.574 56.400 0.226 0.000 0.800 296 E CB -0.121 29.688 29.700 0.182 0.000 0.746 296 E HN 0.332 nan 8.360 nan 0.000 0.452 297 Y N 0.283 120.639 120.300 0.093 0.000 2.263 297 Y HA -0.179 4.365 4.550 -0.010 0.000 0.292 297 Y C 1.937 177.878 175.900 0.068 0.000 1.130 297 Y CA 0.878 58.986 58.100 0.014 0.000 1.179 297 Y CB -0.307 38.127 38.460 -0.043 0.000 0.998 297 Y HN 0.005 nan 8.280 nan 0.000 0.532 298 F N -0.238 119.721 119.950 0.015 0.000 2.065 298 F HA -0.259 4.262 4.527 -0.010 0.000 0.298 298 F C 2.490 178.153 175.800 -0.228 0.000 1.112 298 F CA 2.049 60.011 58.000 -0.064 0.000 1.212 298 F CB -1.117 37.989 39.000 0.177 0.000 0.975 298 F HN -0.054 nan 8.300 nan 0.000 0.476 299 V N -0.431 119.461 119.914 -0.037 0.000 2.343 299 V HA -0.213 3.901 4.120 -0.010 0.000 0.247 299 V C 2.211 178.178 176.094 -0.211 0.000 1.051 299 V CA 1.984 64.234 62.300 -0.083 0.000 1.036 299 V CB -0.417 31.550 31.823 0.241 0.000 0.654 299 V HN 0.264 nan 8.190 nan 0.000 0.451 300 V N 0.466 120.254 119.914 -0.210 0.000 2.307 300 V HA -0.187 3.927 4.120 -0.010 0.000 0.245 300 V C 2.824 178.664 176.094 -0.424 0.000 1.045 300 V CA 2.143 64.296 62.300 -0.245 0.000 1.024 300 V CB -1.193 30.534 31.823 -0.160 0.000 0.651 300 V HN 0.647 nan 8.190 nan 0.000 0.449 301 A N -0.049 122.340 122.820 -0.717 0.000 1.883 301 A HA -0.154 4.160 4.320 -0.010 0.000 0.217 301 A C 2.409 179.637 177.584 -0.593 0.000 1.186 301 A CA 2.323 53.937 52.037 -0.705 0.000 0.624 301 A CB -0.878 17.496 19.000 -1.044 0.000 0.822 301 A HN 0.577 nan 8.150 nan 0.000 0.444 302 A N -1.207 121.105 122.820 -0.847 0.000 1.898 302 A HA -0.055 4.259 4.320 -0.010 0.000 0.216 302 A C 2.314 179.487 177.584 -0.685 0.000 1.181 302 A CA 2.256 53.634 52.037 -1.098 0.000 0.620 302 A CB -1.289 16.342 19.000 -2.282 0.000 0.819 302 A HN 0.433 nan 8.150 nan 0.000 0.442 303 T N 0.502 114.783 114.554 -0.456 0.000 2.708 303 T HA -0.108 4.237 4.350 -0.010 0.000 0.266 303 T C 1.797 176.263 174.700 -0.391 0.000 1.037 303 T CA 1.475 63.412 62.100 -0.272 0.000 1.146 303 T CB -0.392 68.305 68.868 -0.284 0.000 0.865 303 T HN 0.339 nan 8.240 nan 0.000 0.435 304 L N 0.698 121.724 121.223 -0.327 0.000 2.131 304 L HA -0.149 4.185 4.340 -0.010 0.000 0.210 304 L C 2.865 179.626 176.870 -0.183 0.000 1.092 304 L CA 1.283 55.968 54.840 -0.257 0.000 0.759 304 L CB -0.470 41.475 42.059 -0.189 0.000 0.903 304 L HN 0.369 nan 8.230 nan 0.000 0.435 305 Q N -0.588 119.109 119.800 -0.171 0.000 2.119 305 Q HA -0.214 4.120 4.340 -0.010 0.000 0.201 305 Q C 1.704 177.683 176.000 -0.034 0.000 0.972 305 Q CA 1.429 57.182 55.803 -0.084 0.000 0.847 305 Q CB -0.036 28.645 28.738 -0.096 0.000 0.903 305 Q HN 0.417 nan 8.270 nan 0.000 0.433 306 D N 0.654 121.030 120.400 -0.039 0.000 2.097 306 D HA -0.110 4.524 4.640 -0.010 0.000 0.195 306 D C 1.770 178.021 176.300 -0.082 0.000 0.989 306 D CA 0.885 54.895 54.000 0.017 0.000 0.827 306 D CB -0.084 40.795 40.800 0.131 0.000 0.966 306 D HN 0.174 nan 8.370 nan 0.000 0.456 307 I N 0.470 120.873 120.570 -0.278 0.000 2.127 307 I HA -0.268 3.896 4.170 -0.010 0.000 0.241 307 I C 2.371 178.497 176.117 0.016 0.000 1.075 307 I CA 0.906 61.985 61.300 -0.368 0.000 1.334 307 I CB -0.227 37.397 38.000 -0.628 0.000 1.040 307 I HN 0.018 nan 8.210 nan 0.000 0.405 308 I N -0.052 120.587 120.570 0.115 0.000 2.226 308 I HA -0.278 3.886 4.170 -0.010 0.000 0.245 308 I C 2.826 179.109 176.117 0.278 0.000 1.100 308 I CA 0.971 62.463 61.300 0.321 0.000 1.374 308 I CB -0.504 37.638 38.000 0.236 0.000 1.057 308 I HN 0.249 nan 8.210 nan 0.000 0.413 309 R N 1.448 122.035 120.500 0.145 0.000 2.097 309 R HA -0.229 4.105 4.340 -0.010 0.000 0.236 309 R C 2.389 178.752 176.300 0.105 0.000 1.135 309 R CA 1.947 58.111 56.100 0.106 0.000 0.934 309 R CB -0.506 29.832 30.300 0.063 0.000 0.846 309 R HN 0.264 nan 8.270 nan 0.000 0.431 310 R N -0.774 119.787 120.500 0.101 0.000 2.120 310 R HA -0.164 4.170 4.340 -0.010 0.000 0.234 310 R C 2.255 178.641 176.300 0.143 0.000 1.123 310 R CA 1.634 57.797 56.100 0.105 0.000 0.975 310 R CB -0.338 30.017 30.300 0.092 0.000 0.866 310 R HN 0.248 nan 8.270 nan 0.000 0.446 311 F N 1.268 121.246 119.950 0.047 0.000 2.163 311 F HA -0.050 4.471 4.527 -0.010 0.000 0.297 311 F C 1.611 177.415 175.800 0.006 0.000 1.094 311 F CA 1.349 59.367 58.000 0.031 0.000 1.290 311 F CB 0.015 39.081 39.000 0.110 0.000 1.017 311 F HN -0.189 nan 8.300 nan 0.000 0.483 312 K N -0.071 120.276 120.400 -0.090 0.000 2.360 312 K HA -0.087 4.227 4.320 -0.010 0.000 0.201 312 K C 2.104 178.584 176.600 -0.200 0.000 1.046 312 K CA 1.181 57.332 56.287 -0.226 0.000 0.945 312 K CB -0.153 32.340 32.500 -0.013 0.000 0.750 312 K HN 0.254 nan 8.250 nan 0.000 0.464 313 S N 0.860 116.495 115.700 -0.107 0.000 2.327 313 S HA -0.062 4.402 4.470 -0.010 0.000 0.213 313 S C 1.068 175.609 174.600 -0.099 0.000 1.032 313 S CA 0.484 58.663 58.200 -0.036 0.000 0.960 313 S CB -0.168 63.085 63.200 0.088 0.000 0.900 313 S HN 0.491 nan 8.310 nan 0.000 0.469 325 N N 1.352 120.026 118.700 -0.042 0.000 2.437 325 N HA 0.344 5.078 4.740 -0.010 0.000 0.243 325 N C 0.200 175.762 175.510 0.087 0.000 1.041 325 N CA -0.486 52.599 53.050 0.060 0.000 0.940 325 N CB 0.499 39.023 38.487 0.060 0.000 1.133 325 N HN 0.351 nan 8.380 nan 0.000 0.506 326 F N 0.974 121.024 119.950 0.167 0.000 2.816 326 F HA 0.021 4.542 4.527 -0.010 0.000 0.302 326 F C 1.200 177.059 175.800 0.099 0.000 1.178 326 F CA 0.289 58.367 58.000 0.130 0.000 1.421 326 F CB 0.141 39.088 39.000 -0.089 0.000 1.114 326 F HN 0.498 nan 8.300 nan 0.000 0.573 327 D N 0.176 120.709 120.400 0.222 0.000 2.264 327 D HA -0.123 4.511 4.640 -0.010 0.000 0.208 327 D C 2.113 178.503 176.300 0.150 0.000 0.966 327 D CA 1.084 55.175 54.000 0.152 0.000 0.864 327 D CB -0.012 40.853 40.800 0.108 0.000 0.933 327 D HN 0.247 nan 8.370 nan 0.000 0.499 328 A N -0.700 122.240 122.820 0.200 0.000 2.275 328 A HA 0.124 4.438 4.320 -0.010 0.000 0.212 328 A C 1.486 179.190 177.584 0.200 0.000 1.201 328 A CA -0.352 51.800 52.037 0.192 0.000 0.843 328 A CB -0.695 18.427 19.000 0.204 0.000 0.873 328 A HN 0.217 nan 8.150 nan 0.000 0.492 329 F N 1.920 121.827 119.950 -0.072 0.000 2.065 329 F HA -0.129 4.392 4.527 -0.010 0.000 0.298 329 F C -0.811 174.882 175.800 -0.178 0.000 1.112 329 F CA 2.470 60.222 58.000 -0.413 0.000 1.212 329 F CB -0.583 38.166 39.000 -0.419 0.000 0.975 329 F HN 0.196 nan 8.300 nan 0.000 0.476 330 P HA -0.107 nan 4.420 nan 0.000 0.222 330 P C 0.728 177.997 177.300 -0.052 0.000 1.147 330 P CA 1.537 64.625 63.100 -0.020 0.000 0.790 330 P CB -0.047 31.659 31.700 0.009 0.000 0.780 331 D N -1.040 119.348 120.400 -0.020 0.000 2.323 331 D HA -0.015 4.619 4.640 -0.010 0.000 0.209 331 D C 1.461 177.753 176.300 -0.013 0.000 0.973 331 D CA 0.866 54.864 54.000 -0.002 0.000 0.874 331 D CB 0.134 40.952 40.800 0.030 0.000 0.930 331 D HN 0.152 nan 8.370 nan 0.000 0.521 332 K N 0.112 120.484 120.400 -0.047 0.000 2.373 332 K HA 0.215 4.530 4.320 -0.010 0.000 0.200 332 K C 0.013 176.532 176.600 -0.135 0.000 1.054 332 K CA 0.055 56.323 56.287 -0.032 0.000 1.065 332 K CB 2.327 34.909 32.500 0.137 0.000 0.886 332 K HN -0.059 nan 8.250 nan 0.000 0.546 333 V N 0.814 120.559 119.914 -0.282 0.000 2.760 333 V HA 0.653 4.767 4.120 -0.010 0.000 0.309 333 V C -1.207 174.802 176.094 -0.141 0.000 1.077 333 V CA -1.275 60.855 62.300 -0.283 0.000 0.910 333 V CB 1.940 33.289 31.823 -0.791 0.000 1.008 333 V HN 0.106 nan 8.190 nan 0.000 0.424 334 A N 5.447 128.246 122.820 -0.036 0.000 2.359 334 A HA 0.907 5.221 4.320 -0.010 0.000 0.303 334 A C -1.071 176.542 177.584 0.048 0.000 1.066 334 A CA -0.412 51.629 52.037 0.006 0.000 0.730 334 A CB 1.018 19.965 19.000 -0.089 0.000 1.211 334 A HN 0.755 nan 8.150 nan 0.000 0.439 335 I N 1.942 122.584 120.570 0.119 0.000 2.382 335 I HA 0.322 4.486 4.170 -0.010 0.000 0.286 335 I C -0.305 175.908 176.117 0.160 0.000 1.002 335 I CA -0.583 60.798 61.300 0.135 0.000 1.135 335 I CB 1.945 40.003 38.000 0.096 0.000 1.288 335 I HN 0.704 nan 8.210 nan 0.000 0.448 336 Q N 6.813 126.703 119.800 0.151 0.000 2.314 336 Q HA 0.515 4.849 4.340 -0.010 0.000 0.259 336 Q C -1.368 174.636 176.000 0.007 0.000 0.951 336 Q CA -0.287 55.636 55.803 0.200 0.000 0.909 336 Q CB 1.432 30.401 28.738 0.386 0.000 1.236 336 Q HN 0.572 nan 8.270 nan 0.000 0.444 337 L N 3.815 125.082 121.223 0.074 0.000 2.255 337 L HA 0.408 4.742 4.340 -0.010 0.000 0.289 337 L C 0.006 176.906 176.870 0.050 0.000 1.046 337 L CA -0.760 54.113 54.840 0.056 0.000 0.816 337 L CB 0.707 42.853 42.059 0.145 0.000 1.197 337 L HN 0.573 nan 8.230 nan 0.000 0.427 338 N N 4.356 123.005 118.700 -0.085 0.000 2.448 338 N HA 0.075 4.809 4.740 -0.010 0.000 0.250 338 N C -0.201 175.346 175.510 0.062 0.000 1.136 338 N CA 0.530 53.587 53.050 0.012 0.000 0.953 338 N CB -0.073 38.347 38.487 -0.111 0.000 1.251 338 N HN 0.623 nan 8.380 nan 0.000 0.502 339 D N -0.081 120.440 120.400 0.201 0.000 4.808 339 D HA -0.218 4.416 4.640 -0.010 0.000 0.304 339 D C 0.351 176.758 176.300 0.178 0.000 2.360 339 D CA 1.485 55.587 54.000 0.171 0.000 1.222 339 D CB -0.598 40.037 40.800 -0.275 0.000 1.085 339 D HN 0.488 nan 8.370 nan 0.000 1.266 340 T N -2.446 112.149 114.554 0.067 0.000 3.129 340 T HA 0.105 4.449 4.350 -0.010 0.000 0.251 340 T C 1.672 176.459 174.700 0.145 0.000 1.117 340 T CA 1.494 63.612 62.100 0.029 0.000 1.034 340 T CB -0.516 68.329 68.868 -0.039 0.000 0.968 340 T HN 0.515 nan 8.240 nan 0.000 0.526 341 H N 2.632 121.790 119.070 0.147 0.000 2.390 341 H HA -0.022 4.528 4.556 -0.010 0.000 0.298 341 H C -0.781 174.640 175.328 0.156 0.000 1.106 341 H CA 1.130 57.283 56.048 0.174 0.000 1.297 341 H CB -0.762 29.106 29.762 0.176 0.000 1.375 341 H HN 0.449 nan 8.280 nan 0.000 0.509 342 P HA 0.090 nan 4.420 nan 0.000 0.266 342 P C 0.719 178.071 177.300 0.086 0.000 1.561 342 P CA 0.369 63.558 63.100 0.149 0.000 1.089 342 P CB 0.459 32.237 31.700 0.131 0.000 1.534 343 S N -0.076 115.667 115.700 0.072 0.000 2.440 343 S HA -0.131 4.333 4.470 -0.010 0.000 0.238 343 S C 1.792 176.401 174.600 0.014 0.000 1.010 343 S CA 0.777 58.979 58.200 0.004 0.000 0.972 343 S CB -1.469 61.705 63.200 -0.043 0.000 0.774 343 S HN 0.152 nan 8.310 nan 0.000 0.501 344 L N 0.929 122.177 121.223 0.041 0.000 2.549 344 L HA 0.023 4.357 4.340 -0.010 0.000 0.229 344 L C 2.905 179.816 176.870 0.069 0.000 1.158 344 L CA 0.617 55.487 54.840 0.050 0.000 0.842 344 L CB -0.747 41.349 42.059 0.061 0.000 0.952 344 L HN 0.474 nan 8.230 nan 0.000 0.452 345 A N 0.544 123.383 122.820 0.032 0.000 1.978 345 A HA -0.189 4.125 4.320 -0.010 0.000 0.220 345 A C 2.183 179.767 177.584 0.001 0.000 1.170 345 A CA 1.415 53.455 52.037 0.004 0.000 0.636 345 A CB -0.437 18.559 19.000 -0.008 0.000 0.810 345 A HN 0.367 nan 8.150 nan 0.000 0.448 346 I N 0.303 120.876 120.570 0.005 0.000 2.113 346 I HA -0.151 4.013 4.170 -0.010 0.000 0.238 346 I C -0.317 175.816 176.117 0.026 0.000 1.070 346 I CA 1.624 62.923 61.300 -0.002 0.000 1.332 346 I CB -1.044 36.958 38.000 0.003 0.000 1.044 346 I HN 0.258 nan 8.210 nan 0.000 0.402 347 P HA -0.155 nan 4.420 nan 0.000 0.225 347 P C 1.232 178.544 177.300 0.021 0.000 1.156 347 P CA 1.423 64.553 63.100 0.051 0.000 0.787 347 P CB 0.054 31.804 31.700 0.083 0.000 0.802 348 E N 0.456 120.737 120.200 0.135 0.000 2.106 348 E HA -0.145 4.199 4.350 -0.010 0.000 0.192 348 E C 1.928 178.509 176.600 -0.031 0.000 0.984 348 E CA 0.642 57.136 56.400 0.158 0.000 0.806 348 E CB -1.199 28.641 29.700 0.234 0.000 0.750 348 E HN 0.009 nan 8.360 nan 0.000 0.458 349 L N -0.037 121.139 121.223 -0.078 0.000 2.046 349 L HA -0.080 4.254 4.340 -0.010 0.000 0.208 349 L C 2.064 178.786 176.870 -0.246 0.000 1.077 349 L CA 1.728 56.462 54.840 -0.176 0.000 0.747 349 L CB -0.518 41.438 42.059 -0.172 0.000 0.896 349 L HN 0.228 nan 8.230 nan 0.000 0.432 350 M N -0.772 118.699 119.600 -0.216 0.000 2.117 350 M HA -0.199 4.275 4.480 -0.010 0.000 0.262 350 M C 2.436 178.564 176.300 -0.287 0.000 1.065 350 M CA 1.523 56.643 55.300 -0.300 0.000 1.114 350 M CB -1.161 31.254 32.600 -0.310 0.000 1.361 350 M HN 0.344 nan 8.290 nan 0.000 0.408 351 R N 0.091 120.449 120.500 -0.238 0.000 2.083 351 R HA -0.133 4.201 4.340 -0.010 0.000 0.237 351 R C 2.046 178.238 176.300 -0.180 0.000 1.137 351 R CA 1.669 57.633 56.100 -0.227 0.000 0.951 351 R CB -0.174 29.939 30.300 -0.312 0.000 0.851 351 R HN 0.206 nan 8.270 nan 0.000 0.434 352 V N 1.459 121.265 119.914 -0.181 0.000 2.295 352 V HA -0.253 3.861 4.120 -0.010 0.000 0.246 352 V C 2.415 178.345 176.094 -0.273 0.000 1.049 352 V CA 1.740 63.929 62.300 -0.185 0.000 1.024 352 V CB -0.424 31.287 31.823 -0.186 0.000 0.648 352 V HN 0.344 nan 8.190 nan 0.000 0.447 353 L N -0.594 120.400 121.223 -0.383 0.000 2.093 353 L HA -0.120 4.214 4.340 -0.010 0.000 0.208 353 L C 2.384 179.066 176.870 -0.313 0.000 1.085 353 L CA 1.073 55.620 54.840 -0.488 0.000 0.755 353 L CB -0.593 41.123 42.059 -0.572 0.000 0.904 353 L HN 0.212 nan 8.230 nan 0.000 0.435 354 V N -0.629 119.141 119.914 -0.240 0.000 2.331 354 V HA -0.164 3.950 4.120 -0.010 0.000 0.242 354 V C 1.945 177.995 176.094 -0.073 0.000 1.034 354 V CA 1.594 63.816 62.300 -0.131 0.000 1.027 354 V CB -0.311 31.457 31.823 -0.093 0.000 0.667 354 V HN 0.335 nan 8.190 nan 0.000 0.457 355 D N 0.002 120.355 120.400 -0.079 0.000 2.162 355 D HA -0.007 4.627 4.640 -0.010 0.000 0.203 355 D C 2.056 178.331 176.300 -0.041 0.000 0.967 355 D CA 1.152 55.126 54.000 -0.044 0.000 0.840 355 D CB 0.055 40.828 40.800 -0.045 0.000 0.972 355 D HN 0.315 nan 8.370 nan 0.000 0.482 356 L N 0.267 121.450 121.223 -0.067 0.000 2.262 356 L HA 0.090 4.424 4.340 -0.010 0.000 0.197 356 L C 1.956 178.799 176.870 -0.044 0.000 1.073 356 L CA 0.529 55.340 54.840 -0.047 0.000 0.800 356 L CB -0.101 41.930 42.059 -0.047 0.000 0.987 356 L HN -0.184 nan 8.230 nan 0.000 0.470 357 E N 0.722 120.862 120.200 -0.100 0.000 2.435 357 E HA -0.015 4.329 4.350 -0.010 0.000 0.195 357 E C 0.173 176.747 176.600 -0.044 0.000 1.029 357 E CA 0.041 56.395 56.400 -0.076 0.000 0.865 357 E CB 0.156 29.698 29.700 -0.263 0.000 0.833 357 E HN 0.242 nan 8.360 nan 0.000 0.510 358 R N -0.112 120.353 120.500 -0.058 0.000 3.531 358 R HA -0.194 4.141 4.340 -0.010 0.000 0.280 358 R C -0.511 175.778 176.300 -0.019 0.000 1.130 358 R CA 0.258 56.345 56.100 -0.022 0.000 0.757 358 R CB -2.473 27.832 30.300 0.008 0.000 1.218 358 R HN 0.045 nan 8.270 nan 0.000 0.454 359 L N 1.668 122.852 121.223 -0.065 0.000 2.421 359 L HA 0.189 4.524 4.340 -0.010 0.000 0.263 359 L C 1.303 178.165 176.870 -0.014 0.000 1.122 359 L CA 0.045 54.857 54.840 -0.046 0.000 0.804 359 L CB 0.470 42.458 42.059 -0.119 0.000 1.150 359 L HN 0.119 nan 8.230 nan 0.000 0.457 360 D N 0.309 120.725 120.400 0.027 0.000 2.357 360 D HA -0.130 4.504 4.640 -0.010 0.000 0.242 360 D C 0.924 177.285 176.300 0.102 0.000 1.153 360 D CA -0.510 53.540 54.000 0.082 0.000 0.918 360 D CB 0.763 41.618 40.800 0.092 0.000 1.181 360 D HN 0.596 nan 8.370 nan 0.000 0.435 361 W N 2.053 123.354 121.300 0.002 0.000 2.301 361 W HA -0.245 4.409 4.660 -0.010 0.000 0.325 361 W C 1.180 177.742 176.519 0.071 0.000 1.250 361 W CA 2.011 59.364 57.345 0.014 0.000 1.261 361 W CB -0.360 29.088 29.460 -0.019 0.000 1.157 361 W HN 0.480 nan 8.180 nan 0.000 0.473 362 D N 0.201 120.804 120.400 0.338 0.000 2.158 362 D HA -0.208 4.426 4.640 -0.010 0.000 0.197 362 D C 2.041 178.437 176.300 0.160 0.000 0.995 362 D CA 1.434 55.602 54.000 0.280 0.000 0.846 362 D CB -0.423 40.515 40.800 0.230 0.000 0.941 362 D HN 0.088 nan 8.370 nan 0.000 0.456 363 K N 0.979 121.431 120.400 0.086 0.000 2.025 363 K HA -0.006 4.308 4.320 -0.010 0.000 0.207 363 K C 2.009 178.589 176.600 -0.033 0.000 1.049 363 K CA 1.023 57.332 56.287 0.036 0.000 0.933 363 K CB -0.413 32.104 32.500 0.029 0.000 0.714 363 K HN 0.038 nan 8.250 nan 0.000 0.438 364 A N 0.842 123.595 122.820 -0.110 0.000 1.902 364 A HA -0.197 4.117 4.320 -0.010 0.000 0.217 364 A C 2.163 179.635 177.584 -0.188 0.000 1.181 364 A CA 1.404 53.303 52.037 -0.230 0.000 0.623 364 A CB -1.059 17.732 19.000 -0.348 0.000 0.818 364 A HN 0.661 nan 8.150 nan 0.000 0.443 365 W N 0.624 121.701 121.300 -0.372 0.000 2.381 365 W HA -0.152 4.502 4.660 -0.010 0.000 0.301 365 W C 1.972 178.425 176.519 -0.109 0.000 1.205 365 W CA 1.755 58.938 57.345 -0.271 0.000 1.285 365 W CB -0.091 29.251 29.460 -0.197 0.000 1.133 365 W HN 0.602 nan 8.180 nan 0.000 0.521 366 E N 0.140 120.320 120.200 -0.033 0.000 2.077 366 E HA -0.217 4.127 4.350 -0.010 0.000 0.193 366 E C 2.045 178.557 176.600 -0.147 0.000 0.989 366 E CA 1.817 58.165 56.400 -0.087 0.000 0.800 366 E CB -0.267 29.443 29.700 0.017 0.000 0.746 366 E HN 0.068 nan 8.360 nan 0.000 0.452 367 V N 0.737 120.576 119.914 -0.125 0.000 2.295 367 V HA -0.254 3.860 4.120 -0.010 0.000 0.246 367 V C 2.411 178.420 176.094 -0.141 0.000 1.049 367 V CA 2.180 64.419 62.300 -0.101 0.000 1.024 367 V CB -0.789 30.954 31.823 -0.134 0.000 0.648 367 V HN 0.366 nan 8.190 nan 0.000 0.447 368 T N 0.100 114.499 114.554 -0.259 0.000 2.684 368 T HA -0.184 4.160 4.350 -0.010 0.000 0.267 368 T C 1.951 176.462 174.700 -0.316 0.000 1.036 368 T CA 1.795 63.721 62.100 -0.290 0.000 1.148 368 T CB -0.302 68.343 68.868 -0.373 0.000 0.863 368 T HN 0.277 nan 8.240 nan 0.000 0.436 369 V N 1.509 121.118 119.914 -0.509 0.000 2.343 369 V HA -0.180 3.934 4.120 -0.010 0.000 0.247 369 V C 2.315 178.354 176.094 -0.092 0.000 1.051 369 V CA 1.648 63.713 62.300 -0.391 0.000 1.036 369 V CB -0.509 31.013 31.823 -0.502 0.000 0.654 369 V HN 0.490 nan 8.190 nan 0.000 0.451 370 K N -0.497 119.831 120.400 -0.118 0.000 2.362 370 K HA -0.074 4.240 4.320 -0.010 0.000 0.200 370 K C 2.025 178.575 176.600 -0.083 0.000 1.046 370 K CA 1.434 57.631 56.287 -0.151 0.000 0.952 370 K CB -0.184 32.235 32.500 -0.134 0.000 0.753 370 K HN 0.461 nan 8.250 nan 0.000 0.466 371 T N 0.176 114.751 114.554 0.035 0.000 3.010 371 T HA 0.037 4.381 4.350 -0.010 0.000 0.252 371 T C 0.883 175.691 174.700 0.181 0.000 1.047 371 T CA 0.304 62.468 62.100 0.107 0.000 1.140 371 T CB 0.140 69.110 68.868 0.170 0.000 0.885 371 T HN 0.172 nan 8.240 nan 0.000 0.464 372 C N 2.456 121.846 119.300 0.150 0.000 2.405 372 C HA 0.876 5.330 4.460 -0.010 0.000 0.365 372 C C 0.569 175.636 174.990 0.128 0.000 1.233 372 C CA -1.222 57.872 59.018 0.127 0.000 2.230 372 C CB 0.068 27.818 27.740 0.018 0.000 2.443 372 C HN 0.582 nan 8.230 nan 0.000 0.556 373 A N 2.073 124.960 122.820 0.113 0.000 2.486 373 A HA 0.732 5.046 4.320 -0.010 0.000 0.300 373 A C -1.495 176.172 177.584 0.139 0.000 1.048 373 A CA -0.407 51.645 52.037 0.026 0.000 0.696 373 A CB 0.977 20.024 19.000 0.078 0.000 1.278 373 A HN 0.946 nan 8.150 nan 0.000 0.405 374 Y N 1.303 121.562 120.300 -0.069 0.000 2.376 374 Y HA 0.644 5.188 4.550 -0.010 0.000 0.340 374 Y C -0.486 175.404 175.900 -0.017 0.000 0.965 374 Y CA -0.316 57.756 58.100 -0.046 0.000 1.078 374 Y CB 2.029 40.420 38.460 -0.114 0.000 1.193 374 Y HN 0.552 nan 8.280 nan 0.000 0.452 375 T N 6.660 120.998 114.554 -0.358 0.000 2.758 375 T HA 0.174 4.518 4.350 -0.010 0.000 0.285 375 T C -0.727 173.521 174.700 -0.754 0.000 0.981 375 T CA -0.773 61.059 62.100 -0.447 0.000 0.965 375 T CB 0.301 69.141 68.868 -0.047 0.000 0.927 375 T HN 0.648 nan 8.240 nan 0.000 0.448 376 N N 1.874 120.119 118.700 -0.758 0.000 2.479 376 N HA 0.115 4.849 4.740 -0.010 0.000 0.285 376 N C 0.152 175.524 175.510 -0.229 0.000 1.075 376 N CA -0.274 52.562 53.050 -0.357 0.000 0.967 376 N CB 0.770 39.225 38.487 -0.054 0.000 1.137 376 N HN 0.642 nan 8.380 nan 0.000 0.472 377 H N 0.968 120.064 119.070 0.042 0.000 2.827 377 H HA 0.157 4.707 4.556 -0.010 0.000 0.269 377 H C -0.110 175.131 175.328 -0.145 0.000 1.031 377 H CA 0.167 56.187 56.048 -0.047 0.000 1.202 377 H CB 1.104 30.846 29.762 -0.032 0.000 1.511 377 H HN 0.566 nan 8.280 nan 0.000 0.517 378 T N -0.120 114.459 114.554 0.040 0.000 2.827 378 T HA 0.216 4.560 4.350 -0.010 0.000 0.328 378 T C 0.410 175.137 174.700 0.046 0.000 1.598 378 T CA -0.271 61.803 62.100 -0.044 0.000 1.043 378 T CB 1.092 69.918 68.868 -0.070 0.000 1.447 378 T HN -0.073 nan 8.240 nan 0.000 0.491 379 V N 1.517 121.423 119.914 -0.012 0.000 3.578 379 V HA 0.549 4.663 4.120 -0.010 0.000 0.290 379 V C 0.776 176.834 176.094 -0.060 0.000 1.376 379 V CA -0.012 62.264 62.300 -0.040 0.000 1.083 379 V CB -0.477 31.318 31.823 -0.047 0.000 0.911 379 V HN 0.700 nan 8.190 nan 0.000 0.433 380 L N 3.050 124.226 121.223 -0.078 0.000 2.462 380 L HA 0.212 4.546 4.340 -0.010 0.000 0.272 380 L C -0.458 176.408 176.870 -0.006 0.000 1.166 380 L CA -0.995 53.820 54.840 -0.040 0.000 0.880 380 L CB 0.865 42.887 42.059 -0.062 0.000 1.142 380 L HN 0.131 nan 8.230 nan 0.000 0.473 381 P HA -0.216 nan 4.420 nan 0.000 0.216 381 P C 0.925 178.223 177.300 -0.003 0.000 1.150 381 P CA 1.316 64.417 63.100 0.002 0.000 0.837 381 P CB 0.053 31.761 31.700 0.012 0.000 0.786 382 E N 0.389 120.613 120.200 0.040 0.000 2.409 382 E HA -0.075 4.269 4.350 -0.010 0.000 0.198 382 E C 1.699 178.246 176.600 -0.089 0.000 1.024 382 E CA 1.151 57.553 56.400 0.002 0.000 0.861 382 E CB -0.791 29.029 29.700 0.200 0.000 0.788 382 E HN 0.231 nan 8.360 nan 0.000 0.521 383 A N 1.139 123.959 122.820 -0.000 0.000 2.147 383 A HA 0.167 4.482 4.320 -0.010 0.000 0.211 383 A C 1.228 178.794 177.584 -0.030 0.000 1.160 383 A CA -0.246 51.808 52.037 0.027 0.000 0.781 383 A CB 0.068 19.113 19.000 0.074 0.000 0.842 383 A HN 0.126 nan 8.150 nan 0.000 0.475 384 L N 1.920 123.086 121.223 -0.095 0.000 2.462 384 L HA 0.100 4.434 4.340 -0.010 0.000 0.272 384 L C -0.013 176.531 176.870 -0.544 0.000 1.166 384 L CA 0.563 55.286 54.840 -0.195 0.000 0.880 384 L CB 0.077 42.055 42.059 -0.136 0.000 1.142 384 L HN 0.421 nan 8.230 nan 0.000 0.473 385 E N 5.201 124.981 120.200 -0.701 0.000 2.180 385 E HA 0.195 4.539 4.350 -0.010 0.000 0.283 385 E C -0.367 175.589 176.600 -1.073 0.000 1.061 385 E CA -0.189 55.330 56.400 -1.468 0.000 0.861 385 E CB 0.703 29.893 29.700 -0.850 0.000 1.056 385 E HN 0.364 nan 8.360 nan 0.000 0.407 386 R N 4.020 123.767 120.500 -1.255 0.000 2.487 386 R HA 0.169 4.503 4.340 -0.010 0.000 0.288 386 R C -1.170 174.965 176.300 -0.275 0.000 1.394 386 R CA -0.584 55.221 56.100 -0.491 0.000 1.155 386 R CB 0.758 30.899 30.300 -0.264 0.000 1.156 386 R HN 0.446 nan 8.270 nan 0.000 0.553 387 W N 3.999 125.247 121.300 -0.086 0.000 2.266 387 W HA 0.232 4.886 4.660 -0.010 0.000 0.317 387 W C -1.905 174.586 176.519 -0.046 0.000 1.310 387 W CA -1.938 55.420 57.345 0.022 0.000 1.207 387 W CB 0.501 29.951 29.460 -0.018 0.000 1.199 387 W HN 0.221 nan 8.180 nan 0.000 0.544 388 P HA -0.076 nan 4.420 nan 0.000 0.268 388 P C 0.786 178.008 177.300 -0.131 0.000 1.204 388 P CA 0.146 63.204 63.100 -0.070 0.000 0.768 388 P CB 0.799 32.295 31.700 -0.341 0.000 0.842 389 V N 3.254 123.141 119.914 -0.045 0.000 2.332 389 V HA -0.290 3.824 4.120 -0.010 0.000 0.248 389 V C 2.100 178.192 176.094 -0.004 0.000 1.055 389 V CA 2.536 64.838 62.300 0.004 0.000 1.038 389 V CB -1.743 30.150 31.823 0.116 0.000 0.651 389 V HN 0.763 nan 8.190 nan 0.000 0.450 390 H N -1.019 118.109 119.070 0.096 0.000 2.456 390 H HA -0.103 4.448 4.556 -0.010 0.000 0.296 390 H C 2.008 177.383 175.328 0.079 0.000 1.079 390 H CA 1.665 57.765 56.048 0.086 0.000 1.322 390 H CB -0.544 29.269 29.762 0.085 0.000 1.388 390 H HN 0.372 nan 8.280 nan 0.000 0.538 391 L N -0.076 121.031 121.223 -0.193 0.000 2.044 391 L HA -0.054 4.280 4.340 -0.010 0.000 0.205 391 L C 2.311 179.142 176.870 -0.065 0.000 1.075 391 L CA 0.901 55.712 54.840 -0.048 0.000 0.747 391 L CB -0.185 41.833 42.059 -0.069 0.000 0.903 391 L HN 0.327 nan 8.230 nan 0.000 0.435 392 L N -0.592 120.564 121.223 -0.112 0.000 2.141 392 L HA -0.236 4.098 4.340 -0.010 0.000 0.209 392 L C 2.447 179.255 176.870 -0.104 0.000 1.094 392 L CA 1.097 55.841 54.840 -0.160 0.000 0.763 392 L CB -0.436 41.516 42.059 -0.179 0.000 0.908 392 L HN 0.343 nan 8.230 nan 0.000 0.437 393 E N -0.314 119.868 120.200 -0.029 0.000 2.085 393 E HA -0.213 4.131 4.350 -0.010 0.000 0.194 393 E C 1.941 178.577 176.600 0.060 0.000 0.994 393 E CA 1.926 58.341 56.400 0.025 0.000 0.801 393 E CB 0.149 29.904 29.700 0.091 0.000 0.743 393 E HN 0.418 nan 8.360 nan 0.000 0.453 394 T N 0.668 115.280 114.554 0.097 0.000 2.852 394 T HA -0.072 4.272 4.350 -0.010 0.000 0.256 394 T C 1.714 176.521 174.700 0.179 0.000 1.038 394 T CA 0.636 62.842 62.100 0.177 0.000 1.141 394 T CB -0.116 68.888 68.868 0.227 0.000 0.869 394 T HN 0.060 nan 8.240 nan 0.000 0.439 395 L N 0.129 121.356 121.223 0.007 0.000 2.095 395 L HA 0.324 4.658 4.340 -0.010 0.000 0.204 395 L C 0.400 177.190 176.870 -0.133 0.000 1.080 395 L CA 1.622 56.339 54.840 -0.206 0.000 0.759 395 L CB -0.004 41.899 42.059 -0.261 0.000 0.914 395 L HN 0.177 nan 8.230 nan 0.000 0.439 396 L N 0.783 121.896 121.223 -0.183 0.000 2.551 396 L HA 0.286 4.620 4.340 -0.010 0.000 0.248 396 L C -1.639 175.054 176.870 -0.295 0.000 1.509 396 L CA -0.979 53.670 54.840 -0.318 0.000 0.842 396 L CB 0.920 42.634 42.059 -0.575 0.000 1.087 396 L HN -0.052 nan 8.230 nan 0.000 0.512 397 P HA -0.235 nan 4.420 nan 0.000 0.216 397 P C 1.457 178.566 177.300 -0.318 0.000 1.153 397 P CA 1.337 64.318 63.100 -0.198 0.000 0.858 397 P CB 0.381 32.039 31.700 -0.070 0.000 0.789 398 R N -0.395 119.733 120.500 -0.621 0.000 2.090 398 R HA -0.133 4.201 4.340 -0.010 0.000 0.228 398 R C 2.360 178.364 176.300 -0.493 0.000 1.110 398 R CA 1.516 57.262 56.100 -0.590 0.000 0.973 398 R CB -1.372 28.403 30.300 -0.876 0.000 0.869 398 R HN 0.225 nan 8.270 nan 0.000 0.440 399 H N -0.531 118.231 119.070 -0.513 0.000 2.423 399 H HA -0.053 4.497 4.556 -0.010 0.000 0.297 399 H C 1.555 176.713 175.328 -0.283 0.000 1.075 399 H CA 1.517 57.351 56.048 -0.357 0.000 1.342 399 H CB -0.097 29.424 29.762 -0.401 0.000 1.395 399 H HN 0.131 nan 8.280 nan 0.000 0.530 400 L N 0.708 121.809 121.223 -0.204 0.000 2.093 400 L HA -0.165 4.170 4.340 -0.010 0.000 0.208 400 L C 1.894 178.567 176.870 -0.328 0.000 1.085 400 L CA 1.559 56.207 54.840 -0.320 0.000 0.755 400 L CB -0.350 41.533 42.059 -0.293 0.000 0.904 400 L HN 0.260 nan 8.230 nan 0.000 0.435 401 Q N -0.666 119.055 119.800 -0.132 0.000 2.079 401 Q HA -0.182 4.152 4.340 -0.010 0.000 0.200 401 Q C 2.300 178.318 176.000 0.029 0.000 0.974 401 Q CA 1.889 57.708 55.803 0.027 0.000 0.840 401 Q CB -0.207 28.551 28.738 0.034 0.000 0.898 401 Q HN 0.555 nan 8.270 nan 0.000 0.430 402 I N 0.510 121.074 120.570 -0.011 0.000 2.315 402 I HA -0.266 3.899 4.170 -0.010 0.000 0.248 402 I C 2.164 178.348 176.117 0.111 0.000 1.117 402 I CA 1.038 62.410 61.300 0.120 0.000 1.404 402 I CB -0.154 37.868 38.000 0.036 0.000 1.071 402 I HN 0.203 nan 8.210 nan 0.000 0.419 403 I N -0.425 120.129 120.570 -0.026 0.000 2.226 403 I HA -0.312 3.852 4.170 -0.010 0.000 0.245 403 I C 2.407 178.529 176.117 0.009 0.000 1.100 403 I CA 1.420 62.692 61.300 -0.047 0.000 1.374 403 I CB -0.361 37.540 38.000 -0.164 0.000 1.057 403 I HN 0.153 nan 8.210 nan 0.000 0.413 404 Y N 0.839 121.140 120.300 0.001 0.000 2.181 404 Y HA -0.265 4.279 4.550 -0.010 0.000 0.288 404 Y C 2.585 178.447 175.900 -0.064 0.000 1.146 404 Y CA 1.484 59.571 58.100 -0.021 0.000 1.164 404 Y CB -0.744 37.697 38.460 -0.031 0.000 0.982 404 Y HN 0.194 nan 8.280 nan 0.000 0.515 405 E N 0.424 120.658 120.200 0.056 0.000 2.072 405 E HA -0.139 4.205 4.350 -0.010 0.000 0.191 405 E C 2.030 178.538 176.600 -0.154 0.000 0.985 405 E CA 1.280 57.572 56.400 -0.181 0.000 0.801 405 E CB -0.532 28.891 29.700 -0.462 0.000 0.750 405 E HN 0.480 nan 8.360 nan 0.000 0.452 406 I N 0.597 121.171 120.570 0.007 0.000 2.226 406 I HA -0.261 3.903 4.170 -0.010 0.000 0.245 406 I C 2.266 178.377 176.117 -0.011 0.000 1.100 406 I CA 1.340 62.596 61.300 -0.074 0.000 1.374 406 I CB -0.398 37.563 38.000 -0.065 0.000 1.057 406 I HN 0.205 nan 8.210 nan 0.000 0.413 407 N N 0.783 119.527 118.700 0.073 0.000 2.084 407 N HA -0.266 4.468 4.740 -0.010 0.000 0.190 407 N C 1.867 177.464 175.510 0.145 0.000 1.030 407 N CA 1.553 54.702 53.050 0.165 0.000 0.849 407 N CB -0.130 38.470 38.487 0.188 0.000 1.012 407 N HN 0.293 nan 8.380 nan 0.000 0.423 408 Q N 0.035 119.865 119.800 0.050 0.000 2.030 408 Q HA -0.136 4.198 4.340 -0.010 0.000 0.204 408 Q C 1.999 177.982 176.000 -0.028 0.000 0.986 408 Q CA 1.627 57.422 55.803 -0.013 0.000 0.843 408 Q CB -0.016 28.671 28.738 -0.085 0.000 0.904 408 Q HN 0.389 nan 8.270 nan 0.000 0.420 409 R N -0.751 119.707 120.500 -0.070 0.000 2.115 409 R HA -0.119 4.215 4.340 -0.010 0.000 0.230 409 R C 2.163 178.487 176.300 0.040 0.000 1.111 409 R CA 1.132 57.191 56.100 -0.070 0.000 0.976 409 R CB -0.330 29.873 30.300 -0.162 0.000 0.870 409 R HN 0.297 nan 8.270 nan 0.000 0.445 410 F N 1.500 121.422 119.950 -0.047 0.000 2.163 410 F HA -0.050 4.471 4.527 -0.010 0.000 0.297 410 F C 1.845 177.671 175.800 0.044 0.000 1.094 410 F CA 1.187 59.210 58.000 0.037 0.000 1.290 410 F CB -0.126 38.927 39.000 0.088 0.000 1.017 410 F HN -0.135 nan 8.300 nan 0.000 0.483 411 L N -0.018 121.214 121.223 0.016 0.000 2.201 411 L HA -0.207 4.128 4.340 -0.010 0.000 0.212 411 L C 1.930 178.734 176.870 -0.110 0.000 1.105 411 L CA 1.409 56.196 54.840 -0.087 0.000 0.775 411 L CB -0.856 41.217 42.059 0.023 0.000 0.913 411 L HN 0.238 nan 8.230 nan 0.000 0.440 412 N N -0.199 118.455 118.700 -0.076 0.000 2.244 412 N HA -0.188 4.546 4.740 -0.010 0.000 0.183 412 N C 1.942 177.399 175.510 -0.089 0.000 1.016 412 N CA 0.594 53.602 53.050 -0.070 0.000 0.866 412 N CB 0.039 38.491 38.487 -0.058 0.000 0.980 412 N HN 0.217 nan 8.380 nan 0.000 0.430 413 R N 0.707 121.131 120.500 -0.125 0.000 2.073 413 R HA -0.006 4.328 4.340 -0.010 0.000 0.229 413 R C 1.988 178.188 176.300 -0.166 0.000 1.120 413 R CA 0.693 56.715 56.100 -0.130 0.000 0.967 413 R CB -0.083 30.147 30.300 -0.117 0.000 0.862 413 R HN -0.005 nan 8.270 nan 0.000 0.436 414 V N 0.761 120.525 119.914 -0.251 0.000 2.343 414 V HA -0.224 3.891 4.120 -0.010 0.000 0.247 414 V C 2.354 178.451 176.094 0.005 0.000 1.051 414 V CA 1.943 64.169 62.300 -0.123 0.000 1.036 414 V CB -0.753 30.931 31.823 -0.232 0.000 0.654 414 V HN 0.510 nan 8.190 nan 0.000 0.451 415 A N 0.068 122.860 122.820 -0.047 0.000 1.908 415 A HA -0.141 4.173 4.320 -0.010 0.000 0.218 415 A C 2.380 179.944 177.584 -0.034 0.000 1.181 415 A CA 2.182 54.208 52.037 -0.020 0.000 0.627 415 A CB -0.731 18.248 19.000 -0.036 0.000 0.818 415 A HN 0.590 nan 8.150 nan 0.000 0.445 416 A N -0.732 122.047 122.820 -0.068 0.000 2.014 416 A HA 0.316 4.630 4.320 -0.010 0.000 0.218 416 A C 2.313 179.809 177.584 -0.147 0.000 1.163 416 A CA 1.682 53.667 52.037 -0.087 0.000 0.652 416 A CB -0.598 18.355 19.000 -0.078 0.000 0.808 416 A HN 0.985 nan 8.150 nan 0.000 0.449 417 A N -1.866 120.821 122.820 -0.221 0.000 2.081 417 A HA 0.437 4.751 4.320 -0.010 0.000 0.214 417 A C 0.349 177.464 177.584 -0.782 0.000 1.158 417 A CA 0.400 52.134 52.037 -0.504 0.000 0.724 417 A CB -0.068 18.561 19.000 -0.619 0.000 0.826 417 A HN 0.394 nan 8.150 nan 0.000 0.463 418 F N -0.112 119.792 119.950 -0.076 0.000 2.584 418 F HA 0.339 4.860 4.527 -0.010 0.000 0.328 418 F C -2.802 172.962 175.800 -0.060 0.000 1.407 418 F CA -2.862 55.097 58.000 -0.067 0.000 1.145 418 F CB 0.707 39.659 39.000 -0.081 0.000 1.440 418 F HN -0.083 nan 8.300 nan 0.000 0.580 419 P HA 0.136 nan 4.420 nan 0.000 0.261 419 P C 1.031 178.351 177.300 0.035 0.000 1.183 419 P CA 1.312 64.424 63.100 0.020 0.000 0.761 419 P CB 0.704 32.398 31.700 -0.011 0.000 0.785 420 G N 2.823 111.636 108.800 0.022 0.000 2.245 420 G HA2 -0.267 3.687 3.960 -0.010 0.000 0.264 420 G HA3 -0.267 3.687 3.960 -0.010 0.000 0.264 420 G C 0.423 175.332 174.900 0.016 0.000 0.985 420 G CA 0.121 45.230 45.100 0.015 0.000 0.625 420 G HN 0.607 nan 8.290 nan 0.000 0.536 421 D N 1.491 121.910 120.400 0.032 0.000 2.545 421 D HA 0.362 4.996 4.640 -0.010 0.000 0.227 421 D C 2.117 178.407 176.300 -0.017 0.000 1.150 421 D CA 0.433 54.435 54.000 0.004 0.000 1.046 421 D CB 0.282 41.082 40.800 -0.001 0.000 1.098 421 D HN 0.601 nan 8.370 nan 0.000 0.502 422 V N 0.669 120.575 119.914 -0.014 0.000 2.515 422 V HA -0.156 3.958 4.120 -0.010 0.000 0.250 422 V C 1.806 177.887 176.094 -0.022 0.000 1.058 422 V CA 1.582 63.873 62.300 -0.015 0.000 1.064 422 V CB -0.471 31.347 31.823 -0.009 0.000 0.675 422 V HN 0.231 nan 8.190 nan 0.000 0.461 423 D N 0.274 120.657 120.400 -0.029 0.000 2.183 423 D HA -0.139 4.495 4.640 -0.010 0.000 0.203 423 D C 2.330 178.600 176.300 -0.050 0.000 0.969 423 D CA 1.125 55.108 54.000 -0.029 0.000 0.842 423 D CB -0.195 40.588 40.800 -0.029 0.000 0.957 423 D HN 0.401 nan 8.370 nan 0.000 0.484 424 R N -0.173 120.274 120.500 -0.089 0.000 2.081 424 R HA -0.087 4.247 4.340 -0.010 0.000 0.235 424 R C 2.296 178.526 176.300 -0.117 0.000 1.131 424 R CA 0.886 56.895 56.100 -0.152 0.000 0.960 424 R CB -0.251 29.901 30.300 -0.247 0.000 0.856 424 R HN 0.261 nan 8.270 nan 0.000 0.436 425 L N 0.546 121.726 121.223 -0.071 0.000 2.012 425 L HA -0.237 4.097 4.340 -0.010 0.000 0.210 425 L C 2.646 179.520 176.870 0.006 0.000 1.073 425 L CA 1.963 56.781 54.840 -0.038 0.000 0.748 425 L CB -0.532 41.515 42.059 -0.019 0.000 0.891 425 L HN 0.285 nan 8.230 nan 0.000 0.431 426 R N 0.080 120.589 120.500 0.015 0.000 2.115 426 R HA -0.097 4.237 4.340 -0.010 0.000 0.226 426 R C 2.118 178.468 176.300 0.082 0.000 1.100 426 R CA 0.977 57.108 56.100 0.051 0.000 0.980 426 R CB -0.562 29.762 30.300 0.040 0.000 0.875 426 R HN 0.213 nan 8.270 nan 0.000 0.445 427 R N 0.144 120.672 120.500 0.047 0.000 2.115 427 R HA 0.124 4.458 4.340 -0.010 0.000 0.226 427 R C 2.006 178.379 176.300 0.122 0.000 1.100 427 R CA 1.688 57.839 56.100 0.084 0.000 0.980 427 R CB -0.187 30.122 30.300 0.015 0.000 0.875 427 R HN 0.327 nan 8.270 nan 0.000 0.445 428 M N 0.149 119.749 119.600 -0.001 0.000 2.541 428 M HA 0.040 4.514 4.480 -0.010 0.000 0.252 428 M C 0.903 177.370 176.300 0.280 0.000 1.125 428 M CA 0.029 55.291 55.300 -0.064 0.000 1.091 428 M CB 0.385 32.796 32.600 -0.316 0.000 1.420 428 M HN -0.081 nan 8.290 nan 0.000 0.486 429 S N 1.024 116.889 115.700 0.274 0.000 2.558 429 S HA 0.037 4.501 4.470 -0.010 0.000 0.287 429 S C 1.123 175.976 174.600 0.421 0.000 1.321 429 S CA -0.178 58.211 58.200 0.314 0.000 1.048 429 S CB 0.572 63.898 63.200 0.210 0.000 0.844 429 S HN 0.363 nan 8.310 nan 0.000 0.512 430 L N 3.914 125.333 121.223 0.326 0.000 2.313 430 L HA 0.119 4.453 4.340 -0.010 0.000 0.214 430 L C 0.287 177.258 176.870 0.168 0.000 1.119 430 L CA 0.288 55.275 54.840 0.244 0.000 0.809 430 L CB -0.302 41.842 42.059 0.142 0.000 0.933 430 L HN 0.404 nan 8.230 nan 0.000 0.449 431 V N 0.881 120.910 119.914 0.192 0.000 2.383 431 V HA 0.150 4.264 4.120 -0.010 0.000 0.275 431 V C 0.086 176.267 176.094 0.145 0.000 1.036 431 V CA -0.498 61.905 62.300 0.172 0.000 0.889 431 V CB 1.439 33.399 31.823 0.228 0.000 0.985 431 V HN 0.168 nan 8.190 nan 0.000 0.459 432 E N 3.363 123.628 120.200 0.108 0.000 2.109 432 E HA 0.388 4.732 4.350 -0.010 0.000 0.278 432 E C -0.473 176.177 176.600 0.083 0.000 0.954 432 E CA -0.532 55.921 56.400 0.089 0.000 0.779 432 E CB 1.120 30.849 29.700 0.049 0.000 1.093 432 E HN 0.718 nan 8.360 nan 0.000 0.401 433 E N 2.019 122.266 120.200 0.079 0.000 2.312 433 E HA 0.688 5.032 4.350 -0.010 0.000 0.259 433 E C 0.084 176.720 176.600 0.060 0.000 1.122 433 E CA 0.751 57.192 56.400 0.069 0.000 0.922 433 E CB 1.518 31.253 29.700 0.058 0.000 1.109 433 E HN 0.708 nan 8.360 nan 0.000 0.442 434 G N -0.282 108.551 108.800 0.056 0.000 2.291 434 G HA2 0.215 4.169 3.960 -0.010 0.000 0.249 434 G HA3 0.215 4.169 3.960 -0.010 0.000 0.249 434 G C 0.509 175.441 174.900 0.054 0.000 1.340 434 G CA 0.312 45.442 45.100 0.050 0.000 1.017 434 G HN 0.656 nan 8.290 nan 0.000 0.470 435 A N -0.818 122.033 122.820 0.051 0.000 1.873 435 A HA 0.252 4.566 4.320 -0.010 0.000 0.219 435 A C 1.762 179.389 177.584 0.071 0.000 1.269 435 A CA 4.483 56.552 52.037 0.054 0.000 0.671 435 A CB -1.313 17.718 19.000 0.052 0.000 0.842 435 A HN 2.412 nan 8.150 nan 0.000 0.460 436 V N -3.557 116.409 119.914 0.088 0.000 2.604 436 V HA 0.585 4.699 4.120 -0.010 0.000 0.305 436 V C -0.447 175.715 176.094 0.113 0.000 1.043 436 V CA -1.312 61.062 62.300 0.123 0.000 0.888 436 V CB 1.552 33.480 31.823 0.174 0.000 0.995 436 V HN 0.364 nan 8.190 nan 0.000 0.429 437 K N 3.781 124.256 120.400 0.124 0.000 2.448 437 K HA 0.420 4.734 4.320 -0.010 0.000 0.278 437 K C -0.235 176.425 176.600 0.101 0.000 1.009 437 K CA 0.077 56.433 56.287 0.115 0.000 0.995 437 K CB 0.600 33.183 32.500 0.138 0.000 0.917 437 K HN 0.738 nan 8.250 nan 0.000 0.481 438 R N 1.981 122.531 120.500 0.082 0.000 2.837 438 R HA 0.478 4.813 4.340 -0.010 0.000 0.271 438 R C -0.725 175.606 176.300 0.051 0.000 0.993 438 R CA -1.031 55.105 56.100 0.060 0.000 0.931 438 R CB 1.340 31.660 30.300 0.034 0.000 1.206 438 R HN 0.358 nan 8.270 nan 0.000 0.474 439 I N 1.919 122.513 120.570 0.041 0.000 2.354 439 I HA 0.167 4.331 4.170 -0.010 0.000 0.292 439 I C -0.240 175.853 176.117 -0.041 0.000 0.989 439 I CA -0.738 60.573 61.300 0.018 0.000 1.188 439 I CB 1.295 39.305 38.000 0.017 0.000 1.342 439 I HN 0.515 nan 8.210 nan 0.000 0.457 440 N N 7.176 125.820 118.700 -0.093 0.000 2.415 440 N HA 0.099 4.833 4.740 -0.010 0.000 0.246 440 N C 0.811 176.204 175.510 -0.196 0.000 1.078 440 N CA -0.348 52.563 53.050 -0.232 0.000 0.942 440 N CB 0.978 39.179 38.487 -0.477 0.000 1.140 440 N HN 0.377 nan 8.380 nan 0.000 0.501 441 M N 2.381 121.872 119.600 -0.181 0.000 2.296 441 M HA -0.066 4.408 4.480 -0.010 0.000 0.265 441 M C 1.896 178.041 176.300 -0.257 0.000 1.064 441 M CA 0.692 55.902 55.300 -0.150 0.000 1.109 441 M CB -1.514 31.041 32.600 -0.074 0.000 1.396 441 M HN 0.600 nan 8.290 nan 0.000 0.430 442 A N -0.480 122.179 122.820 -0.269 0.000 1.898 442 A HA -0.160 4.154 4.320 -0.010 0.000 0.216 442 A C 1.972 179.311 177.584 -0.408 0.000 1.181 442 A CA 1.376 53.214 52.037 -0.333 0.000 0.620 442 A CB -1.101 17.894 19.000 -0.009 0.000 0.819 442 A HN 0.594 nan 8.150 nan 0.000 0.442 443 H N -1.030 117.801 119.070 -0.398 0.000 2.389 443 H HA -0.017 4.533 4.556 -0.010 0.000 0.299 443 H C 2.104 177.182 175.328 -0.416 0.000 1.081 443 H CA 0.882 56.642 56.048 -0.481 0.000 1.345 443 H CB -0.031 29.668 29.762 -0.106 0.000 1.393 443 H HN 0.375 nan 8.280 nan 0.000 0.520 444 L N 0.368 121.489 121.223 -0.170 0.000 2.017 444 L HA -0.217 4.117 4.340 -0.010 0.000 0.208 444 L C 2.199 178.928 176.870 -0.236 0.000 1.073 444 L CA 1.282 56.028 54.840 -0.157 0.000 0.745 444 L CB -0.400 41.596 42.059 -0.105 0.000 0.894 444 L HN 0.439 nan 8.230 nan 0.000 0.432 445 C N 0.087 119.149 119.300 -0.398 0.000 2.429 445 C HA -0.169 4.285 4.460 -0.010 0.000 0.277 445 C C 2.675 177.421 174.990 -0.408 0.000 1.262 445 C CA 0.603 59.318 59.018 -0.506 0.000 1.733 445 C CB -0.758 26.306 27.740 -1.126 0.000 2.010 445 C HN 0.516 nan 8.230 nan 0.000 0.483 446 I N 1.360 121.638 120.570 -0.487 0.000 2.252 446 I HA -0.183 3.981 4.170 -0.010 0.000 0.245 446 I C 2.754 178.716 176.117 -0.258 0.000 1.102 446 I CA 1.611 62.667 61.300 -0.408 0.000 1.385 446 I CB -0.573 37.027 38.000 -0.666 0.000 1.064 446 I HN 0.260 nan 8.210 nan 0.000 0.414 447 A N 0.617 123.254 122.820 -0.305 0.000 1.933 447 A HA -0.083 4.231 4.320 -0.010 0.000 0.218 447 A C 2.197 179.824 177.584 0.071 0.000 1.175 447 A CA 1.818 53.727 52.037 -0.214 0.000 0.628 447 A CB -1.102 17.569 19.000 -0.549 0.000 0.814 447 A HN 0.477 nan 8.150 nan 0.000 0.444 448 G N -1.123 107.659 108.800 -0.030 0.000 3.371 448 G HA2 0.419 4.373 3.960 -0.010 0.000 0.248 448 G HA3 0.419 4.373 3.960 -0.010 0.000 0.248 448 G C 0.064 174.810 174.900 -0.258 0.000 1.161 448 G CA 0.451 45.419 45.100 -0.221 0.000 0.796 448 G HN 0.334 nan 8.290 nan 0.000 0.539 449 S N -0.388 115.212 115.700 -0.167 0.000 2.542 449 S HA 0.324 4.788 4.470 -0.010 0.000 0.293 449 S C 0.679 175.227 174.600 -0.086 0.000 1.089 449 S CA -0.719 57.412 58.200 -0.115 0.000 0.961 449 S CB 1.295 64.434 63.200 -0.102 0.000 1.062 449 S HN 0.501 nan 8.310 nan 0.000 0.483 450 H N -0.062 118.967 119.070 -0.068 0.000 2.548 450 H HA 0.508 5.058 4.556 -0.010 0.000 0.265 450 H C 0.102 175.407 175.328 -0.038 0.000 0.969 450 H CA 0.249 56.280 56.048 -0.028 0.000 1.155 450 H CB 0.147 29.912 29.762 0.005 0.000 1.394 450 H HN 0.509 nan 8.280 nan 0.000 0.570 451 A N 0.929 123.421 122.820 -0.547 0.000 2.488 451 A HA 0.560 4.874 4.320 -0.010 0.000 0.298 451 A C -1.452 175.926 177.584 -0.343 0.000 1.044 451 A CA -0.570 51.201 52.037 -0.444 0.000 0.693 451 A CB 2.211 20.900 19.000 -0.518 0.000 1.272 451 A HN 0.095 nan 8.150 nan 0.000 0.402 452 V N 4.136 123.820 119.914 -0.384 0.000 2.577 452 V HA 0.538 4.652 4.120 -0.010 0.000 0.303 452 V C -0.820 175.096 176.094 -0.297 0.000 1.042 452 V CA -0.772 61.306 62.300 -0.369 0.000 0.872 452 V CB 1.822 33.293 31.823 -0.587 0.000 0.998 452 V HN 1.019 nan 8.190 nan 0.000 0.423 453 N N 3.102 121.645 118.700 -0.263 0.000 2.229 453 N HA 0.605 5.339 4.740 -0.010 0.000 0.298 453 N C -0.245 175.172 175.510 -0.154 0.000 1.114 453 N CA -0.373 52.565 53.050 -0.187 0.000 0.776 453 N CB 2.873 41.222 38.487 -0.231 0.000 1.501 453 N HN 0.637 nan 8.380 nan 0.000 0.474 454 G N -0.724 108.023 108.800 -0.087 0.000 2.522 454 G HA2 0.409 4.363 3.960 -0.010 0.000 0.304 454 G HA3 0.409 4.363 3.960 -0.010 0.000 0.304 454 G C 0.791 175.762 174.900 0.119 0.000 1.210 454 G CA -0.499 44.608 45.100 0.012 0.000 0.960 454 G HN 0.633 nan 8.290 nan 0.000 0.497 455 V N -3.540 116.554 119.914 0.301 0.000 3.483 455 V HA 0.690 4.804 4.120 -0.010 0.000 0.301 455 V C 0.565 176.735 176.094 0.127 0.000 1.389 455 V CA 0.334 62.713 62.300 0.131 0.000 1.101 455 V CB -0.833 31.015 31.823 0.041 0.000 0.971 455 V HN 1.329 nan 8.190 nan 0.000 0.434 456 A N -0.089 122.819 122.820 0.145 0.000 2.594 456 A HA 0.625 4.939 4.320 -0.010 0.000 0.296 456 A C 0.696 178.330 177.584 0.084 0.000 1.056 456 A CA -0.108 51.995 52.037 0.109 0.000 0.693 456 A CB 1.208 20.264 19.000 0.093 0.000 1.278 456 A HN 0.042 nan 8.150 nan 0.000 0.408 457 R N 1.022 121.550 120.500 0.047 0.000 2.112 457 R HA -0.178 4.157 4.340 -0.010 0.000 0.242 457 R C 1.681 177.980 176.300 -0.002 0.000 1.137 457 R CA 2.367 58.472 56.100 0.009 0.000 0.944 457 R CB -0.261 30.040 30.300 0.000 0.000 0.857 457 R HN 0.835 nan 8.270 nan 0.000 0.435 458 I N 0.274 120.852 120.570 0.013 0.000 2.286 458 I HA -0.298 3.866 4.170 -0.010 0.000 0.248 458 I C 2.332 178.458 176.117 0.014 0.000 1.115 458 I CA 1.885 63.185 61.300 0.000 0.000 1.392 458 I CB -0.226 37.774 38.000 0.001 0.000 1.065 458 I HN 0.363 nan 8.210 nan 0.000 0.418 459 H N 0.256 119.296 119.070 -0.050 0.000 2.326 459 H HA -0.104 4.446 4.556 -0.010 0.000 0.301 459 H C 2.273 177.561 175.328 -0.066 0.000 1.081 459 H CA 2.143 58.154 56.048 -0.060 0.000 1.334 459 H CB -0.266 29.466 29.762 -0.049 0.000 1.385 459 H HN 0.235 nan 8.280 nan 0.000 0.504 460 S N 0.354 115.938 115.700 -0.193 0.000 2.399 460 S HA -0.124 4.340 4.470 -0.010 0.000 0.231 460 S C 1.876 176.349 174.600 -0.212 0.000 1.022 460 S CA 1.226 59.289 58.200 -0.228 0.000 0.983 460 S CB -0.067 63.072 63.200 -0.102 0.000 0.803 460 S HN 0.479 nan 8.310 nan 0.000 0.480 461 E N 1.156 121.255 120.200 -0.168 0.000 2.072 461 E HA 0.036 4.380 4.350 -0.010 0.000 0.190 461 E C 2.011 178.490 176.600 -0.202 0.000 0.982 461 E CA 0.583 56.874 56.400 -0.181 0.000 0.803 461 E CB -0.344 29.284 29.700 -0.121 0.000 0.755 461 E HN 0.505 nan 8.360 nan 0.000 0.453 462 I N 0.951 121.415 120.570 -0.177 0.000 2.286 462 I HA -0.264 3.900 4.170 -0.010 0.000 0.248 462 I C 2.348 178.326 176.117 -0.233 0.000 1.115 462 I CA 0.748 61.946 61.300 -0.169 0.000 1.392 462 I CB -0.220 37.712 38.000 -0.112 0.000 1.065 462 I HN 0.061 nan 8.210 nan 0.000 0.418 463 L N 0.399 121.439 121.223 -0.304 0.000 2.046 463 L HA -0.219 4.115 4.340 -0.010 0.000 0.208 463 L C 2.468 179.187 176.870 -0.252 0.000 1.077 463 L CA 1.562 56.221 54.840 -0.303 0.000 0.747 463 L CB -0.541 41.399 42.059 -0.198 0.000 0.896 463 L HN 0.182 nan 8.230 nan 0.000 0.432 464 K N -0.114 120.069 120.400 -0.362 0.000 2.217 464 K HA -0.112 4.202 4.320 -0.010 0.000 0.202 464 K C 2.001 178.387 176.600 -0.357 0.000 1.051 464 K CA 0.896 56.831 56.287 -0.587 0.000 0.952 464 K CB 0.071 31.967 32.500 -1.007 0.000 0.736 464 K HN 0.228 nan 8.250 nan 0.000 0.453 465 K N -0.087 120.165 120.400 -0.247 0.000 2.323 465 K HA -0.018 4.296 4.320 -0.010 0.000 0.197 465 K C 1.688 178.229 176.600 -0.098 0.000 1.043 465 K CA 1.255 57.456 56.287 -0.145 0.000 0.997 465 K CB 0.555 32.981 32.500 -0.124 0.000 0.807 465 K HN 0.262 nan 8.250 nan 0.000 0.497 466 T N -1.809 112.675 114.554 -0.117 0.000 3.364 466 T HA 0.052 4.396 4.350 -0.010 0.000 0.179 466 T C 1.564 176.218 174.700 -0.076 0.000 0.939 466 T CA -0.349 61.699 62.100 -0.086 0.000 1.094 466 T CB -0.673 68.138 68.868 -0.095 0.000 1.532 466 T HN -0.106 nan 8.240 nan 0.000 0.346 467 I N 1.360 121.824 120.570 -0.176 0.000 2.181 467 I HA -0.019 4.145 4.170 -0.010 0.000 0.247 467 I C 1.129 177.221 176.117 -0.041 0.000 1.081 467 I CA 1.653 62.798 61.300 -0.259 0.000 1.340 467 I CB -0.376 37.236 38.000 -0.648 0.000 1.036 467 I HN 0.528 nan 8.210 nan 0.000 0.417 468 F N -0.757 119.260 119.950 0.111 0.000 2.735 468 F HA 0.201 4.722 4.527 -0.010 0.000 0.304 468 F C 1.821 177.700 175.800 0.132 0.000 1.119 468 F CA -0.503 57.641 58.000 0.240 0.000 1.280 468 F CB -0.103 39.040 39.000 0.238 0.000 0.994 468 F HN -0.098 nan 8.300 nan 0.000 0.520 469 K N 1.121 121.626 120.400 0.176 0.000 2.044 469 K HA -0.226 4.089 4.320 -0.010 0.000 0.210 469 K C 1.351 178.000 176.600 0.082 0.000 1.049 469 K CA 2.266 58.601 56.287 0.079 0.000 0.927 469 K CB -0.027 32.487 32.500 0.023 0.000 0.713 469 K HN 0.170 nan 8.250 nan 0.000 0.443 470 D N -0.146 120.270 120.400 0.026 0.000 2.123 470 D HA -0.171 4.463 4.640 -0.010 0.000 0.196 470 D C 1.841 178.037 176.300 -0.174 0.000 0.992 470 D CA 1.312 55.197 54.000 -0.191 0.000 0.833 470 D CB -0.304 40.270 40.800 -0.376 0.000 0.954 470 D HN 0.255 nan 8.370 nan 0.000 0.455 471 F N -0.145 119.883 119.950 0.130 0.000 2.206 471 F HA -0.136 4.385 4.527 -0.010 0.000 0.298 471 F C 2.348 178.318 175.800 0.282 0.000 1.090 471 F CA 0.465 58.622 58.000 0.261 0.000 1.323 471 F CB -0.705 38.510 39.000 0.357 0.000 1.028 471 F HN -0.036 nan 8.300 nan 0.000 0.492 472 Y N 1.399 121.706 120.300 0.012 0.000 2.224 472 Y HA -0.194 4.350 4.550 -0.010 0.000 0.289 472 Y C 2.090 177.999 175.900 0.014 0.000 1.146 472 Y CA 1.603 59.530 58.100 -0.288 0.000 1.182 472 Y CB -0.628 37.452 38.460 -0.635 0.000 0.983 472 Y HN 0.146 nan 8.280 nan 0.000 0.524 473 E N -0.330 119.820 120.200 -0.083 0.000 2.150 473 E HA -0.168 4.176 4.350 -0.010 0.000 0.193 473 E C 2.167 178.823 176.600 0.093 0.000 0.985 473 E CA 0.863 57.219 56.400 -0.073 0.000 0.814 473 E CB -0.178 29.527 29.700 0.009 0.000 0.752 473 E HN 0.410 nan 8.360 nan 0.000 0.466 474 L N 0.806 122.130 121.223 0.167 0.000 2.095 474 L HA -0.009 4.325 4.340 -0.010 0.000 0.204 474 L C 0.111 177.081 176.870 0.168 0.000 1.080 474 L CA 1.606 56.583 54.840 0.229 0.000 0.759 474 L CB 0.141 42.334 42.059 0.224 0.000 0.914 474 L HN 0.010 nan 8.230 nan 0.000 0.439 475 E N 0.443 120.743 120.200 0.166 0.000 3.386 475 E HA 0.164 4.508 4.350 -0.010 0.000 0.236 475 E C -1.872 174.716 176.600 -0.019 0.000 1.227 475 E CA -1.275 55.154 56.400 0.047 0.000 0.970 475 E CB 0.986 30.683 29.700 -0.004 0.000 1.343 475 E HN 0.209 nan 8.360 nan 0.000 0.397 476 P HA -0.260 nan 4.420 nan 0.000 0.217 476 P C 1.215 178.640 177.300 0.208 0.000 1.148 476 P CA 1.462 64.512 63.100 -0.083 0.000 0.828 476 P CB -0.028 31.499 31.700 -0.288 0.000 0.783 477 H N 0.372 119.546 119.070 0.173 0.000 2.489 477 H HA 0.033 4.583 4.556 -0.010 0.000 0.293 477 H C 1.481 176.894 175.328 0.141 0.000 1.066 477 H CA 0.894 57.032 56.048 0.149 0.000 1.305 477 H CB -0.807 29.014 29.762 0.098 0.000 1.386 477 H HN 0.182 nan 8.280 nan 0.000 0.551 478 K N 0.287 120.553 120.400 -0.223 0.000 2.217 478 K HA 0.037 4.351 4.320 -0.010 0.000 0.202 478 K C -0.084 176.339 176.600 -0.296 0.000 1.051 478 K CA 0.227 56.357 56.287 -0.263 0.000 0.952 478 K CB 0.071 32.296 32.500 -0.458 0.000 0.736 478 K HN 0.102 nan 8.250 nan 0.000 0.453 479 F N 1.974 121.954 119.950 0.050 0.000 2.438 479 F HA 0.143 4.664 4.527 -0.010 0.000 0.356 479 F C 0.557 176.359 175.800 0.003 0.000 1.099 479 F CA -0.027 58.003 58.000 0.050 0.000 1.185 479 F CB 0.759 39.842 39.000 0.138 0.000 1.115 479 F HN -0.082 nan 8.300 nan 0.000 0.526 480 Q N 1.795 121.619 119.800 0.040 0.000 2.605 480 Q HA 0.376 4.710 4.340 -0.010 0.000 0.296 480 Q C -1.165 174.794 176.000 -0.070 0.000 1.056 480 Q CA -1.285 54.498 55.803 -0.033 0.000 0.778 480 Q CB 3.088 31.753 28.738 -0.123 0.000 1.497 480 Q HN 0.627 nan 8.270 nan 0.000 0.443 481 N N 0.587 119.227 118.700 -0.101 0.000 2.238 481 N HA 0.295 5.029 4.740 -0.010 0.000 0.302 481 N C -1.544 173.866 175.510 -0.167 0.000 1.072 481 N CA -0.402 52.587 53.050 -0.102 0.000 0.792 481 N CB 1.174 39.624 38.487 -0.061 0.000 1.425 481 N HN 0.292 nan 8.380 nan 0.000 0.478 482 K N 2.675 122.980 120.400 -0.159 0.000 2.803 482 K HA 0.174 4.488 4.320 -0.010 0.000 0.229 482 K C -1.022 175.582 176.600 0.006 0.000 1.084 482 K CA -0.467 55.697 56.287 -0.205 0.000 1.063 482 K CB 1.155 33.298 32.500 -0.595 0.000 1.254 482 K HN 0.555 nan 8.250 nan 0.000 0.551 483 T N 2.012 116.588 114.554 0.037 0.000 2.908 483 T HA 0.046 4.390 4.350 -0.010 0.000 0.301 483 T C 0.800 175.624 174.700 0.207 0.000 1.019 483 T CA 0.400 62.573 62.100 0.121 0.000 1.152 483 T CB 0.256 69.195 68.868 0.118 0.000 0.966 483 T HN 0.345 nan 8.240 nan 0.000 0.540 484 N N 0.684 119.528 118.700 0.241 0.000 2.307 484 N HA 0.375 5.109 4.740 -0.010 0.000 0.230 484 N C 0.461 176.155 175.510 0.307 0.000 1.297 484 N CA -0.109 53.117 53.050 0.293 0.000 0.884 484 N CB 0.373 38.977 38.487 0.194 0.000 1.115 484 N HN 0.763 nan 8.380 nan 0.000 0.436 485 G N -0.542 108.450 108.800 0.320 0.000 2.682 485 G HA2 0.593 4.547 3.960 -0.010 0.000 0.290 485 G HA3 0.593 4.547 3.960 -0.010 0.000 0.290 485 G C -1.378 173.662 174.900 0.234 0.000 1.425 485 G CA -0.736 44.537 45.100 0.289 0.000 0.807 485 G HN 0.595 nan 8.290 nan 0.000 0.482 486 I N -2.189 118.502 120.570 0.201 0.000 2.785 486 I HA 0.743 4.907 4.170 -0.010 0.000 0.302 486 I C -0.186 176.091 176.117 0.267 0.000 1.069 486 I CA -0.938 60.474 61.300 0.186 0.000 1.045 486 I CB 2.457 40.460 38.000 0.005 0.000 1.236 486 I HN 0.486 nan 8.210 nan 0.000 0.429 487 T N 4.568 119.333 114.554 0.351 0.000 2.814 487 T HA 0.333 4.677 4.350 -0.010 0.000 0.297 487 T C -1.327 173.492 174.700 0.199 0.000 0.956 487 T CA -1.559 60.672 62.100 0.220 0.000 1.123 487 T CB 0.758 69.705 68.868 0.131 0.000 0.902 487 T HN 0.651 nan 8.240 nan 0.000 0.528 488 P HA 0.041 nan 4.420 nan 0.000 0.233 488 P C 1.068 178.332 177.300 -0.059 0.000 1.167 488 P CA 0.302 63.438 63.100 0.059 0.000 0.770 488 P CB 0.396 32.118 31.700 0.037 0.000 0.837 489 R N 0.549 120.967 120.500 -0.137 0.000 2.056 489 R HA 0.010 4.344 4.340 -0.010 0.000 0.227 489 R C 2.725 178.900 176.300 -0.207 0.000 1.149 489 R CA 1.566 57.542 56.100 -0.206 0.000 0.937 489 R CB -1.254 28.930 30.300 -0.192 0.000 0.835 489 R HN 0.046 nan 8.270 nan 0.000 0.430 490 R N -0.789 119.532 120.500 -0.298 0.000 2.075 490 R HA -0.115 4.219 4.340 -0.010 0.000 0.232 490 R C 1.008 176.909 176.300 -0.665 0.000 1.126 490 R CA 1.573 57.335 56.100 -0.562 0.000 0.963 490 R CB -0.167 29.630 30.300 -0.839 0.000 0.858 490 R HN 0.287 nan 8.270 nan 0.000 0.435 491 W N -0.052 121.206 121.300 -0.070 0.000 3.405 491 W HA 0.149 4.802 4.660 -0.011 0.000 0.300 491 W C 0.889 177.379 176.519 -0.048 0.000 1.286 491 W CA -0.641 56.662 57.345 -0.070 0.000 1.762 491 W CB 0.376 29.799 29.460 -0.062 0.000 1.087 491 W HN 0.232 nan 8.180 nan 0.000 0.703 492 L N -2.373 118.887 121.223 0.063 0.000 2.604 492 L HA 0.169 4.503 4.340 -0.010 0.000 0.150 492 L C 1.750 178.630 176.870 0.018 0.000 1.292 492 L CA 0.723 55.606 54.840 0.072 0.000 0.977 492 L CB -0.850 41.282 42.059 0.122 0.000 1.943 492 L HN -0.260 nan 8.230 nan 0.000 0.508 493 V N 1.291 121.194 119.914 -0.018 0.000 2.287 493 V HA -0.280 3.834 4.120 -0.010 0.000 0.248 493 V C 2.447 178.509 176.094 -0.053 0.000 1.053 493 V CA 2.539 64.819 62.300 -0.033 0.000 1.027 493 V CB -0.723 31.052 31.823 -0.080 0.000 0.646 493 V HN 0.518 nan 8.190 nan 0.000 0.447 494 L N 0.465 121.625 121.223 -0.105 0.000 2.023 494 L HA -0.175 4.159 4.340 -0.010 0.000 0.205 494 L C 2.495 179.294 176.870 -0.119 0.000 1.073 494 L CA 2.343 57.106 54.840 -0.129 0.000 0.745 494 L CB -0.261 41.672 42.059 -0.210 0.000 0.900 494 L HN 0.655 nan 8.230 nan 0.000 0.435 495 C N -1.674 117.544 119.300 -0.136 0.000 2.563 495 C HA 0.191 4.645 4.460 -0.010 0.000 0.268 495 C C 1.180 176.146 174.990 -0.040 0.000 1.365 495 C CA -0.279 58.679 59.018 -0.100 0.000 1.754 495 C CB -1.050 26.622 27.740 -0.113 0.000 1.932 495 C HN 0.597 nan 8.230 nan 0.000 0.536 496 N N 1.147 119.836 118.700 -0.018 0.000 2.733 496 N HA 0.270 5.004 4.740 -0.010 0.000 0.271 496 N C -1.661 173.859 175.510 0.017 0.000 1.720 496 N CA -1.585 51.469 53.050 0.007 0.000 0.803 496 N CB 0.761 39.262 38.487 0.024 0.000 1.208 496 N HN 0.250 nan 8.380 nan 0.000 0.498 497 P HA -0.072 nan 4.420 nan 0.000 0.216 497 P C 1.404 178.720 177.300 0.027 0.000 1.150 497 P CA 1.007 64.118 63.100 0.017 0.000 0.837 497 P CB 0.232 31.935 31.700 0.005 0.000 0.786 498 G N 0.673 109.484 108.800 0.019 0.000 2.446 498 G HA2 -0.257 3.697 3.960 -0.010 0.000 0.217 498 G HA3 -0.257 3.697 3.960 -0.010 0.000 0.217 498 G C 1.555 176.467 174.900 0.020 0.000 1.168 498 G CA 0.778 45.888 45.100 0.016 0.000 0.771 498 G HN 0.260 nan 8.290 nan 0.000 0.551 499 L N 1.218 122.455 121.223 0.022 0.000 2.072 499 L HA 0.270 4.604 4.340 -0.010 0.000 0.205 499 L C 3.058 179.962 176.870 0.057 0.000 1.079 499 L CA 1.979 56.833 54.840 0.022 0.000 0.752 499 L CB -0.681 41.391 42.059 0.022 0.000 0.906 499 L HN 0.228 nan 8.230 nan 0.000 0.436 500 A N -0.831 122.044 122.820 0.091 0.000 1.972 500 A HA -0.240 4.074 4.320 -0.010 0.000 0.219 500 A C 2.227 179.911 177.584 0.167 0.000 1.169 500 A CA 1.753 53.897 52.037 0.179 0.000 0.635 500 A CB -0.613 18.486 19.000 0.165 0.000 0.810 500 A HN 0.535 nan 8.150 nan 0.000 0.446 501 E N 0.738 120.997 120.200 0.098 0.000 2.047 501 E HA -0.152 4.192 4.350 -0.010 0.000 0.191 501 E C 1.843 178.485 176.600 0.070 0.000 0.987 501 E CA 1.569 58.016 56.400 0.078 0.000 0.799 501 E CB -0.513 29.215 29.700 0.046 0.000 0.752 501 E HN 0.739 nan 8.360 nan 0.000 0.449 502 I N -1.794 118.814 120.570 0.064 0.000 2.614 502 I HA -0.109 4.055 4.170 -0.010 0.000 0.258 502 I C 2.069 178.260 176.117 0.123 0.000 1.189 502 I CA 1.021 62.375 61.300 0.089 0.000 1.462 502 I CB -0.292 37.753 38.000 0.076 0.000 1.092 502 I HN 0.021 nan 8.210 nan 0.000 0.442 503 I N 1.841 122.457 120.570 0.076 0.000 2.277 503 I HA -0.129 4.035 4.170 -0.010 0.000 0.243 503 I C 3.009 179.074 176.117 -0.087 0.000 1.094 503 I CA 1.157 62.425 61.300 -0.054 0.000 1.393 503 I CB -0.426 37.428 38.000 -0.244 0.000 1.078 503 I HN 0.276 nan 8.210 nan 0.000 0.417 504 A N 0.499 123.362 122.820 0.072 0.000 1.940 504 A HA -0.241 4.073 4.320 -0.010 0.000 0.219 504 A C 2.160 179.772 177.584 0.047 0.000 1.176 504 A CA 1.694 53.825 52.037 0.157 0.000 0.631 504 A CB -0.606 18.514 19.000 0.200 0.000 0.814 504 A HN 0.432 nan 8.150 nan 0.000 0.446 505 E N -0.668 119.539 120.200 0.012 0.000 2.118 505 E HA -0.208 4.136 4.350 -0.010 0.000 0.195 505 E C 2.280 178.835 176.600 -0.075 0.000 0.992 505 E CA 1.317 57.707 56.400 -0.017 0.000 0.804 505 E CB -0.059 29.636 29.700 -0.008 0.000 0.741 505 E HN 0.541 nan 8.360 nan 0.000 0.458 506 R N 0.123 120.513 120.500 -0.183 0.000 2.128 506 R HA 0.073 4.407 4.340 -0.010 0.000 0.211 506 R C 2.268 178.479 176.300 -0.149 0.000 1.067 506 R CA 0.846 56.765 56.100 -0.302 0.000 1.010 506 R CB -0.183 29.581 30.300 -0.893 0.000 0.922 506 R HN 0.327 nan 8.270 nan 0.000 0.457 507 I N -2.863 117.637 120.570 -0.117 0.000 4.081 507 I HA 0.440 4.604 4.170 -0.010 0.000 0.333 507 I C 0.351 176.505 176.117 0.062 0.000 1.413 507 I CA -0.005 61.286 61.300 -0.016 0.000 1.110 507 I CB 0.829 38.809 38.000 -0.035 0.000 1.082 507 I HN 0.164 nan 8.210 nan 0.000 0.402 508 G N 2.241 111.087 108.800 0.077 0.000 2.728 508 G HA2 -0.209 3.745 3.960 -0.010 0.000 0.294 508 G HA3 -0.209 3.745 3.960 -0.010 0.000 0.294 508 G C -0.088 174.942 174.900 0.216 0.000 1.342 508 G CA 0.125 45.294 45.100 0.114 0.000 0.866 508 G HN 0.469 nan 8.290 nan 0.000 0.534 509 E N -0.355 119.925 120.200 0.133 0.000 2.472 509 E HA 0.079 4.423 4.350 -0.010 0.000 0.196 509 E C 1.828 178.386 176.600 -0.071 0.000 1.033 509 E CA 0.035 56.458 56.400 0.039 0.000 0.886 509 E CB 0.297 30.005 29.700 0.014 0.000 0.944 509 E HN 0.452 nan 8.360 nan 0.000 0.492 510 E N 0.783 121.011 120.200 0.047 0.000 2.219 510 E HA -0.202 4.142 4.350 -0.010 0.000 0.198 510 E C 1.694 178.298 176.600 0.007 0.000 0.998 510 E CA 1.026 57.446 56.400 0.033 0.000 0.818 510 E CB -0.073 29.669 29.700 0.069 0.000 0.741 510 E HN 0.551 nan 8.360 nan 0.000 0.477 511 Y N -0.944 119.361 120.300 0.009 0.000 2.497 511 Y HA -0.081 4.464 4.550 -0.008 0.000 0.292 511 Y C 1.885 177.763 175.900 -0.036 0.000 1.137 511 Y CA 0.331 58.428 58.100 -0.005 0.000 1.285 511 Y CB -0.439 38.022 38.460 0.001 0.000 0.991 511 Y HN -0.095 nan 8.280 nan 0.000 0.556 512 I N 1.266 121.355 120.570 -0.802 0.000 2.335 512 I HA -0.233 3.932 4.170 -0.010 0.000 0.251 512 I C 1.742 177.598 176.117 -0.435 0.000 1.129 512 I CA 1.861 62.732 61.300 -0.715 0.000 1.402 512 I CB -1.416 36.103 38.000 -0.801 0.000 1.069 512 I HN 0.559 nan 8.210 nan 0.000 0.424 513 S N -1.633 113.927 115.700 -0.234 0.000 2.749 513 S HA 0.219 4.683 4.470 -0.010 0.000 0.246 513 S C 0.202 174.786 174.600 -0.027 0.000 1.023 513 S CA -0.452 57.687 58.200 -0.103 0.000 1.012 513 S CB 0.378 63.592 63.200 0.023 0.000 0.942 513 S HN 0.307 nan 8.310 nan 0.000 0.531 514 D N 0.817 121.209 120.400 -0.013 0.000 3.118 514 D HA 0.224 4.858 4.640 -0.010 0.000 0.259 514 D C 0.671 177.016 176.300 0.074 0.000 1.292 514 D CA -0.334 53.684 54.000 0.030 0.000 0.784 514 D CB -0.161 40.662 40.800 0.038 0.000 1.413 514 D HN 0.153 nan 8.370 nan 0.000 0.583 515 L N 0.443 121.711 121.223 0.076 0.000 2.189 515 L HA -0.157 4.177 4.340 -0.010 0.000 0.214 515 L C 1.215 178.141 176.870 0.093 0.000 1.097 515 L CA 1.181 56.095 54.840 0.124 0.000 0.764 515 L CB 0.047 42.169 42.059 0.105 0.000 0.900 515 L HN 0.317 nan 8.230 nan 0.000 0.436 516 D N -0.353 120.077 120.400 0.050 0.000 2.221 516 D HA -0.229 4.405 4.640 -0.010 0.000 0.204 516 D C 2.034 178.358 176.300 0.039 0.000 0.982 516 D CA 0.984 54.999 54.000 0.025 0.000 0.857 516 D CB -0.063 40.739 40.800 0.004 0.000 0.934 516 D HN 0.511 nan 8.370 nan 0.000 0.475 517 Q N -0.004 119.836 119.800 0.067 0.000 2.364 517 Q HA -0.061 4.273 4.340 -0.010 0.000 0.209 517 Q C 2.259 178.281 176.000 0.036 0.000 0.977 517 Q CA 0.217 56.059 55.803 0.066 0.000 0.885 517 Q CB -0.016 28.789 28.738 0.112 0.000 0.941 517 Q HN 0.395 nan 8.270 nan 0.000 0.464 518 L N 0.204 121.444 121.223 0.028 0.000 2.353 518 L HA -0.193 4.141 4.340 -0.010 0.000 0.220 518 L C 2.304 179.175 176.870 0.000 0.000 1.133 518 L CA 0.568 55.391 54.840 -0.028 0.000 0.798 518 L CB -0.361 41.694 42.059 -0.007 0.000 0.922 518 L HN 0.215 nan 8.230 nan 0.000 0.445 519 R N 0.831 121.340 120.500 0.015 0.000 2.096 519 R HA -0.195 4.139 4.340 -0.010 0.000 0.240 519 R C 2.032 178.343 176.300 0.017 0.000 1.139 519 R CA 1.340 57.450 56.100 0.017 0.000 0.952 519 R CB -0.552 29.754 30.300 0.009 0.000 0.854 519 R HN 0.418 nan 8.270 nan 0.000 0.436 520 K N 0.729 121.139 120.400 0.016 0.000 2.293 520 K HA -0.138 4.176 4.320 -0.010 0.000 0.204 520 K C 1.978 178.624 176.600 0.077 0.000 1.045 520 K CA 0.941 57.246 56.287 0.029 0.000 0.933 520 K CB -0.256 32.267 32.500 0.039 0.000 0.736 520 K HN 0.222 nan 8.250 nan 0.000 0.463 521 L N 0.415 121.675 121.223 0.061 0.000 2.465 521 L HA -0.114 4.221 4.340 -0.010 0.000 0.224 521 L C 1.875 178.825 176.870 0.134 0.000 1.145 521 L CA -0.061 54.841 54.840 0.103 0.000 0.834 521 L CB -0.204 41.876 42.059 0.034 0.000 0.944 521 L HN 0.114 nan 8.230 nan 0.000 0.451 522 L N 0.055 121.317 121.223 0.064 0.000 2.191 522 L HA -0.161 4.173 4.340 -0.010 0.000 0.212 522 L C 2.596 179.456 176.870 -0.015 0.000 1.103 522 L CA 1.791 56.653 54.840 0.036 0.000 0.769 522 L CB -0.690 41.375 42.059 0.011 0.000 0.908 522 L HN 0.330 nan 8.230 nan 0.000 0.438 523 S N -2.826 112.811 115.700 -0.106 0.000 2.650 523 S HA -0.032 4.432 4.470 -0.010 0.000 0.219 523 S C 1.061 175.391 174.600 -0.450 0.000 0.960 523 S CA 0.112 58.148 58.200 -0.274 0.000 0.925 523 S CB -0.506 62.473 63.200 -0.368 0.000 0.775 523 S HN 0.441 nan 8.310 nan 0.000 0.525 524 Y N -0.575 119.672 120.300 -0.088 0.000 2.500 524 Y HA 0.414 4.962 4.550 -0.003 0.000 0.246 524 Y C 1.884 177.834 175.900 0.082 0.000 1.146 524 Y CA -0.666 57.381 58.100 -0.088 0.000 1.230 524 Y CB 0.192 38.405 38.460 -0.411 0.000 1.214 524 Y HN 0.265 nan 8.280 nan 0.000 0.526 525 V N 0.424 120.439 119.914 0.169 0.000 2.720 525 V HA -0.220 3.894 4.120 -0.010 0.000 0.256 525 V C 0.898 177.065 176.094 0.121 0.000 1.082 525 V CA 2.312 64.706 62.300 0.158 0.000 1.101 525 V CB -0.005 31.870 31.823 0.086 0.000 0.693 525 V HN 0.330 nan 8.190 nan 0.000 0.479 526 D N -0.858 119.595 120.400 0.088 0.000 2.433 526 D HA 0.125 4.759 4.640 -0.010 0.000 0.211 526 D C 0.357 176.708 176.300 0.084 0.000 1.114 526 D CA -0.028 54.011 54.000 0.065 0.000 0.837 526 D CB 0.099 40.914 40.800 0.025 0.000 0.984 526 D HN 0.447 nan 8.370 nan 0.000 0.505 527 D N 1.456 121.940 120.400 0.141 0.000 2.339 527 D HA -0.034 4.600 4.640 -0.010 0.000 0.256 527 D C 1.187 177.591 176.300 0.174 0.000 1.214 527 D CA 0.041 54.143 54.000 0.170 0.000 0.877 527 D CB 1.545 42.517 40.800 0.286 0.000 1.111 527 D HN -0.194 nan 8.370 nan 0.000 0.478 528 E N 3.303 123.571 120.200 0.113 0.000 2.153 528 E HA -0.135 4.209 4.350 -0.010 0.000 0.194 528 E C 1.692 178.349 176.600 0.094 0.000 0.988 528 E CA 1.390 57.842 56.400 0.087 0.000 0.811 528 E CB -0.012 29.722 29.700 0.056 0.000 0.746 528 E HN 0.580 nan 8.360 nan 0.000 0.466 529 A N -0.317 122.575 122.820 0.120 0.000 1.873 529 A HA -0.117 4.197 4.320 -0.010 0.000 0.215 529 A C 2.207 179.882 177.584 0.152 0.000 1.186 529 A CA 1.215 53.320 52.037 0.113 0.000 0.616 529 A CB -0.934 18.133 19.000 0.113 0.000 0.823 529 A HN 0.449 nan 8.150 nan 0.000 0.442 530 F N 0.464 120.430 119.950 0.026 0.000 2.134 530 F HA -0.157 4.365 4.527 -0.009 0.000 0.299 530 F C 2.074 177.879 175.800 0.010 0.000 1.097 530 F CA 1.551 59.550 58.000 -0.001 0.000 1.264 530 F CB -0.096 38.912 39.000 0.014 0.000 1.001 530 F HN 0.159 nan 8.300 nan 0.000 0.479 531 I N 0.185 120.787 120.570 0.053 0.000 2.151 531 I HA -0.367 3.797 4.170 -0.010 0.000 0.243 531 I C 2.568 178.632 176.117 -0.089 0.000 1.080 531 I CA 1.719 62.992 61.300 -0.045 0.000 1.339 531 I CB -0.528 37.493 38.000 0.036 0.000 1.039 531 I HN 0.118 nan 8.210 nan 0.000 0.409 532 R N 0.890 121.365 120.500 -0.040 0.000 2.081 532 R HA -0.181 4.153 4.340 -0.010 0.000 0.235 532 R C 1.892 178.146 176.300 -0.077 0.000 1.131 532 R CA 1.791 57.865 56.100 -0.043 0.000 0.960 532 R CB -0.110 30.184 30.300 -0.010 0.000 0.856 532 R HN 0.308 nan 8.270 nan 0.000 0.436 533 D N -0.308 120.029 120.400 -0.104 0.000 2.117 533 D HA -0.115 4.519 4.640 -0.010 0.000 0.198 533 D C 1.939 178.119 176.300 -0.200 0.000 0.982 533 D CA 1.215 55.141 54.000 -0.123 0.000 0.828 533 D CB -0.125 40.623 40.800 -0.086 0.000 0.967 533 D HN 0.094 nan 8.370 nan 0.000 0.464 534 V N 1.620 121.317 119.914 -0.361 0.000 2.332 534 V HA -0.244 3.870 4.120 -0.010 0.000 0.248 534 V C 2.533 178.534 176.094 -0.156 0.000 1.055 534 V CA 1.893 63.989 62.300 -0.340 0.000 1.038 534 V CB -0.754 30.783 31.823 -0.477 0.000 0.651 534 V HN 0.180 nan 8.190 nan 0.000 0.450 535 A N -0.739 122.010 122.820 -0.117 0.000 1.969 535 A HA -0.203 4.111 4.320 -0.010 0.000 0.218 535 A C 2.349 179.899 177.584 -0.056 0.000 1.169 535 A CA 1.851 53.853 52.037 -0.058 0.000 0.635 535 A CB -0.402 18.568 19.000 -0.050 0.000 0.810 535 A HN 0.510 nan 8.150 nan 0.000 0.445 536 K N -0.211 120.151 120.400 -0.064 0.000 2.057 536 K HA -0.058 4.257 4.320 -0.010 0.000 0.206 536 K C 1.816 178.393 176.600 -0.038 0.000 1.050 536 K CA 1.410 57.669 56.287 -0.046 0.000 0.935 536 K CB -0.206 32.269 32.500 -0.041 0.000 0.715 536 K HN 0.234 nan 8.250 nan 0.000 0.439 537 V N 1.740 121.626 119.914 -0.046 0.000 2.343 537 V HA -0.244 3.870 4.120 -0.010 0.000 0.247 537 V C 2.347 178.431 176.094 -0.016 0.000 1.051 537 V CA 1.932 64.215 62.300 -0.029 0.000 1.036 537 V CB -0.428 31.372 31.823 -0.039 0.000 0.654 537 V HN 0.332 nan 8.190 nan 0.000 0.451 538 K N 0.450 120.838 120.400 -0.019 0.000 2.057 538 K HA -0.226 4.088 4.320 -0.010 0.000 0.207 538 K C 2.152 178.736 176.600 -0.028 0.000 1.049 538 K CA 1.780 58.065 56.287 -0.004 0.000 0.931 538 K CB -0.496 32.015 32.500 0.019 0.000 0.714 538 K HN 0.384 nan 8.250 nan 0.000 0.440 539 Q N 1.043 120.818 119.800 -0.041 0.000 2.084 539 Q HA -0.121 4.213 4.340 -0.010 0.000 0.202 539 Q C 1.687 177.673 176.000 -0.024 0.000 0.978 539 Q CA 2.034 57.804 55.803 -0.055 0.000 0.844 539 Q CB -0.117 28.590 28.738 -0.051 0.000 0.898 539 Q HN 0.524 nan 8.270 nan 0.000 0.426 540 E N -0.493 119.703 120.200 -0.005 0.000 2.077 540 E HA -0.158 4.186 4.350 -0.010 0.000 0.193 540 E C 1.788 178.415 176.600 0.046 0.000 0.989 540 E CA 1.001 57.412 56.400 0.018 0.000 0.800 540 E CB -0.090 29.618 29.700 0.014 0.000 0.746 540 E HN 0.409 nan 8.360 nan 0.000 0.452 541 N N 1.018 119.743 118.700 0.043 0.000 2.166 541 N HA -0.146 4.588 4.740 -0.010 0.000 0.186 541 N C 1.510 177.107 175.510 0.145 0.000 1.019 541 N CA 1.086 54.183 53.050 0.078 0.000 0.856 541 N CB -0.092 38.426 38.487 0.052 0.000 0.993 541 N HN 0.151 nan 8.380 nan 0.000 0.426 542 K N 0.581 121.035 120.400 0.091 0.000 2.057 542 K HA 0.028 4.342 4.320 -0.010 0.000 0.206 542 K C 2.130 178.867 176.600 0.229 0.000 1.050 542 K CA 0.622 56.990 56.287 0.136 0.000 0.935 542 K CB -0.146 32.184 32.500 -0.284 0.000 0.715 542 K HN 0.108 nan 8.250 nan 0.000 0.439 543 L N 1.156 122.452 121.223 0.122 0.000 2.046 543 L HA -0.183 4.151 4.340 -0.010 0.000 0.208 543 L C 2.642 179.606 176.870 0.157 0.000 1.077 543 L CA 1.073 55.987 54.840 0.124 0.000 0.747 543 L CB -0.359 41.742 42.059 0.070 0.000 0.896 543 L HN 0.126 nan 8.230 nan 0.000 0.432 544 K N 0.043 120.541 120.400 0.163 0.000 2.032 544 K HA -0.227 4.087 4.320 -0.010 0.000 0.209 544 K C 2.168 178.918 176.600 0.250 0.000 1.048 544 K CA 1.791 58.182 56.287 0.173 0.000 0.927 544 K CB -0.383 32.206 32.500 0.150 0.000 0.712 544 K HN 0.130 nan 8.250 nan 0.000 0.441 545 F N 1.207 121.252 119.950 0.157 0.000 2.206 545 F HA -0.052 4.470 4.527 -0.010 0.000 0.298 545 F C 2.057 178.001 175.800 0.240 0.000 1.090 545 F CA 1.160 59.270 58.000 0.185 0.000 1.323 545 F CB -0.412 38.696 39.000 0.181 0.000 1.028 545 F HN 0.054 nan 8.300 nan 0.000 0.492 546 A N 0.147 123.105 122.820 0.230 0.000 1.972 546 A HA -0.036 4.279 4.320 -0.010 0.000 0.219 546 A C 2.386 179.986 177.584 0.026 0.000 1.169 546 A CA 1.682 53.792 52.037 0.123 0.000 0.635 546 A CB -1.392 17.757 19.000 0.248 0.000 0.810 546 A HN 0.448 nan 8.150 nan 0.000 0.446 547 A N -1.378 121.481 122.820 0.065 0.000 1.872 547 A HA -0.031 4.283 4.320 -0.010 0.000 0.214 547 A C 2.117 179.706 177.584 0.008 0.000 1.187 547 A CA 1.458 53.517 52.037 0.037 0.000 0.614 547 A CB -0.868 18.171 19.000 0.066 0.000 0.826 547 A HN 0.756 nan 8.150 nan 0.000 0.442 548 Y N 0.039 120.279 120.300 -0.100 0.000 2.256 548 Y HA -0.182 4.362 4.550 -0.010 0.000 0.288 548 Y C 1.824 177.615 175.900 -0.181 0.000 1.155 548 Y CA 1.658 59.687 58.100 -0.120 0.000 1.203 548 Y CB -0.284 38.123 38.460 -0.088 0.000 0.980 548 Y HN 0.194 nan 8.280 nan 0.000 0.530 549 L N 0.643 121.772 121.223 -0.157 0.000 2.131 549 L HA -0.158 4.176 4.340 -0.010 0.000 0.210 549 L C 2.210 178.995 176.870 -0.141 0.000 1.092 549 L CA 1.856 56.583 54.840 -0.188 0.000 0.759 549 L CB -0.665 41.238 42.059 -0.260 0.000 0.903 549 L HN 0.326 nan 8.230 nan 0.000 0.435 550 E N -1.482 118.637 120.200 -0.135 0.000 2.086 550 E HA -0.096 4.248 4.350 -0.010 0.000 0.190 550 E C 2.245 178.757 176.600 -0.147 0.000 0.975 550 E CA 0.243 56.572 56.400 -0.119 0.000 0.813 550 E CB 0.016 29.653 29.700 -0.105 0.000 0.768 550 E HN 0.380 nan 8.360 nan 0.000 0.457 551 R N 1.081 121.477 120.500 -0.174 0.000 2.122 551 R HA -0.115 4.220 4.340 -0.010 0.000 0.236 551 R C 0.515 176.661 176.300 -0.257 0.000 1.129 551 R CA 1.163 57.149 56.100 -0.189 0.000 0.925 551 R CB -0.232 29.945 30.300 -0.205 0.000 0.850 551 R HN 0.166 nan 8.270 nan 0.000 0.431 552 E N 0.116 120.064 120.200 -0.420 0.000 2.134 552 E HA 0.095 4.439 4.350 -0.010 0.000 0.278 552 E C -0.542 175.820 176.600 -0.397 0.000 0.959 552 E CA -0.482 55.585 56.400 -0.555 0.000 0.783 552 E CB 0.998 30.196 29.700 -0.836 0.000 1.095 552 E HN 0.279 nan 8.360 nan 0.000 0.399 553 Y N 0.070 120.285 120.300 -0.143 0.000 4.839 553 Y HA -0.247 4.297 4.550 -0.010 0.000 0.288 553 Y C 0.010 175.865 175.900 -0.074 0.000 0.883 553 Y CA 0.377 58.426 58.100 -0.085 0.000 1.671 553 Y CB -1.566 36.850 38.460 -0.074 0.000 1.041 553 Y HN 0.515 nan 8.280 nan 0.000 0.450 554 K N -0.117 120.293 120.400 0.017 0.000 5.163 554 K HA -0.082 4.232 4.320 -0.010 0.000 0.320 554 K C 0.075 176.671 176.600 -0.006 0.000 0.822 554 K CA 0.985 57.258 56.287 -0.022 0.000 0.981 554 K CB -1.329 31.159 32.500 -0.021 0.000 1.877 554 K HN 0.290 nan 8.250 nan 0.000 0.400 555 V N 0.845 120.741 119.914 -0.029 0.000 3.417 555 V HA 0.378 4.492 4.120 -0.010 0.000 0.297 555 V C 1.013 177.092 176.094 -0.025 0.000 1.271 555 V CA -0.659 61.637 62.300 -0.007 0.000 1.012 555 V CB 1.633 33.453 31.823 -0.004 0.000 1.241 555 V HN 0.713 nan 8.190 nan 0.000 0.477 556 H N 0.425 119.479 119.070 -0.026 0.000 3.124 556 H HA 0.373 4.923 4.556 -0.010 0.000 0.250 556 H C 0.220 175.543 175.328 -0.008 0.000 1.184 556 H CA -0.384 55.654 56.048 -0.016 0.000 1.013 556 H CB 0.310 30.059 29.762 -0.021 0.000 1.891 556 H HN 0.555 nan 8.280 nan 0.000 0.687 557 I N -0.130 120.513 120.570 0.122 0.000 3.003 557 I HA -0.020 4.144 4.170 -0.010 0.000 0.294 557 I C 0.420 176.636 176.117 0.164 0.000 1.237 557 I CA 0.184 61.542 61.300 0.097 0.000 1.417 557 I CB 0.496 38.513 38.000 0.027 0.000 1.340 557 I HN 0.102 nan 8.210 nan 0.000 0.594 558 N N 5.257 124.058 118.700 0.168 0.000 2.469 558 N HA 0.420 5.154 4.740 -0.010 0.000 0.253 558 N C -2.030 173.621 175.510 0.234 0.000 0.970 558 N CA -2.312 50.837 53.050 0.164 0.000 0.940 558 N CB 1.581 40.125 38.487 0.095 0.000 1.128 558 N HN 0.328 nan 8.380 nan 0.000 0.503 559 P HA -0.113 nan 4.420 nan 0.000 0.221 559 P C 0.037 177.317 177.300 -0.034 0.000 1.141 559 P CA 1.284 64.451 63.100 0.110 0.000 0.794 559 P CB 0.107 31.857 31.700 0.082 0.000 0.764 560 N N -1.364 117.353 118.700 0.027 0.000 2.424 560 N HA -0.008 4.726 4.740 -0.010 0.000 0.178 560 N C 0.531 176.061 175.510 0.033 0.000 1.060 560 N CA -0.075 52.980 53.050 0.010 0.000 0.901 560 N CB 0.016 38.522 38.487 0.032 0.000 0.979 560 N HN 0.210 nan 8.380 nan 0.000 0.451 561 S N 0.429 116.162 115.700 0.056 0.000 2.624 561 S HA 0.180 4.644 4.470 -0.010 0.000 0.263 561 S C 0.031 174.588 174.600 -0.072 0.000 1.287 561 S CA -0.847 57.373 58.200 0.034 0.000 0.990 561 S CB 1.121 64.372 63.200 0.086 0.000 0.950 561 S HN 0.168 nan 8.310 nan 0.000 0.561 562 L N 1.766 122.800 121.223 -0.314 0.000 2.360 562 L HA 0.378 4.712 4.340 -0.010 0.000 0.276 562 L C -0.922 175.916 176.870 -0.052 0.000 1.121 562 L CA -0.556 53.897 54.840 -0.645 0.000 0.845 562 L CB -0.150 41.247 42.059 -1.103 0.000 1.143 562 L HN 0.702 nan 8.230 nan 0.000 0.452 563 F N 4.249 124.065 119.950 -0.223 0.000 2.405 563 F HA 0.108 4.630 4.527 -0.009 0.000 0.358 563 F C 0.377 176.112 175.800 -0.109 0.000 1.151 563 F CA -0.855 57.086 58.000 -0.099 0.000 1.161 563 F CB 0.626 39.620 39.000 -0.011 0.000 1.245 563 F HN 0.527 nan 8.300 nan 0.000 0.545 564 D N 4.921 125.328 120.400 0.013 0.000 2.396 564 D HA 0.255 4.889 4.640 -0.010 0.000 0.225 564 D C -1.036 175.209 176.300 -0.092 0.000 1.121 564 D CA -0.064 53.897 54.000 -0.066 0.000 0.853 564 D CB 1.396 42.140 40.800 -0.093 0.000 1.043 564 D HN 0.270 nan 8.370 nan 0.000 0.500 565 V N 2.741 122.584 119.914 -0.119 0.000 2.735 565 V HA 0.595 4.709 4.120 -0.010 0.000 0.310 565 V C -1.452 174.500 176.094 -0.237 0.000 1.061 565 V CA -0.673 61.540 62.300 -0.145 0.000 0.913 565 V CB 1.945 33.737 31.823 -0.051 0.000 1.005 565 V HN 0.532 nan 8.190 nan 0.000 0.428 566 Q N 4.234 123.909 119.800 -0.209 0.000 2.397 566 Q HA 0.649 4.983 4.340 -0.010 0.000 0.260 566 Q C -1.531 174.312 176.000 -0.262 0.000 1.002 566 Q CA -0.616 55.050 55.803 -0.228 0.000 0.716 566 Q CB 1.896 30.526 28.738 -0.181 0.000 1.258 566 Q HN 1.165 nan 8.270 nan 0.000 0.477 567 V N 1.846 121.591 119.914 -0.281 0.000 2.487 567 V HA 0.873 4.987 4.120 -0.010 0.000 0.298 567 V C -0.830 174.990 176.094 -0.456 0.000 1.028 567 V CA -0.530 61.407 62.300 -0.605 0.000 0.860 567 V CB 1.338 32.557 31.823 -1.007 0.000 0.991 567 V HN 0.816 nan 8.190 nan 0.000 0.427 568 K N 2.529 122.706 120.400 -0.372 0.000 3.138 568 K HA 0.374 4.688 4.320 -0.010 0.000 0.309 568 K C -1.349 175.264 176.600 0.023 0.000 1.090 568 K CA -1.109 55.154 56.287 -0.041 0.000 0.816 568 K CB 0.879 33.346 32.500 -0.055 0.000 1.476 568 K HN 0.482 nan 8.250 nan 0.000 0.380 569 R N 0.871 121.441 120.500 0.117 0.000 2.679 569 R HA 0.196 4.530 4.340 -0.010 0.000 0.268 569 R C 0.370 176.706 176.300 0.061 0.000 1.044 569 R CA -0.384 55.798 56.100 0.136 0.000 1.105 569 R CB -0.165 30.267 30.300 0.221 0.000 0.989 569 R HN 0.455 nan 8.270 nan 0.000 0.447 570 I N 4.506 125.085 120.570 0.015 0.000 2.517 570 I HA 0.086 4.250 4.170 -0.010 0.000 0.285 570 I C 0.755 176.770 176.117 -0.171 0.000 1.106 570 I CA 0.662 61.915 61.300 -0.079 0.000 1.402 570 I CB -0.321 37.621 38.000 -0.098 0.000 1.399 570 I HN 0.276 nan 8.210 nan 0.000 0.535 571 H N 4.399 123.368 119.070 -0.169 0.000 3.046 571 H HA 0.230 4.780 4.556 -0.010 0.000 0.361 571 H C 0.393 175.603 175.328 -0.197 0.000 1.235 571 H CA -0.454 55.530 56.048 -0.106 0.000 1.146 571 H CB 2.060 31.672 29.762 -0.251 0.000 1.859 571 H HN 0.522 nan 8.280 nan 0.000 0.548 572 E N 1.253 121.527 120.200 0.124 0.000 2.106 572 E HA -0.182 4.162 4.350 -0.010 0.000 0.192 572 E C 1.390 177.747 176.600 -0.405 0.000 0.984 572 E CA 1.205 57.609 56.400 0.006 0.000 0.806 572 E CB 0.058 29.961 29.700 0.339 0.000 0.750 572 E HN 0.538 nan 8.360 nan 0.000 0.458 573 Y N 0.987 120.750 120.300 -0.895 0.000 2.421 573 Y HA -0.010 4.534 4.550 -0.010 0.000 0.292 573 Y C 1.582 177.186 175.900 -0.494 0.000 1.136 573 Y CA 0.682 58.023 58.100 -1.264 0.000 1.255 573 Y CB 0.020 37.787 38.460 -1.154 0.000 0.991 573 Y HN -0.221 nan 8.280 nan 0.000 0.552 574 K N 1.068 120.991 120.400 -0.795 0.000 2.288 574 K HA -0.010 4.304 4.320 -0.010 0.000 0.201 574 K C 0.352 176.774 176.600 -0.296 0.000 1.048 574 K CA 0.931 56.872 56.287 -0.577 0.000 0.956 574 K CB -0.216 31.980 32.500 -0.507 0.000 0.746 574 K HN 0.462 nan 8.250 nan 0.000 0.461 575 R N 0.514 120.869 120.500 -0.242 0.000 3.423 575 R HA -0.181 4.154 4.340 -0.010 0.000 0.271 575 R C 0.642 176.860 176.300 -0.136 0.000 1.093 575 R CA 0.285 56.295 56.100 -0.150 0.000 0.730 575 R CB -2.051 28.173 30.300 -0.127 0.000 1.190 575 R HN 0.196 nan 8.270 nan 0.000 0.437 576 Q N 0.318 120.037 119.800 -0.135 0.000 2.234 576 Q HA -0.053 4.281 4.340 -0.010 0.000 0.206 576 Q C 1.886 177.833 176.000 -0.088 0.000 0.980 576 Q CA 1.464 57.201 55.803 -0.111 0.000 0.869 576 Q CB 0.026 28.702 28.738 -0.103 0.000 0.912 576 Q HN 0.590 nan 8.270 nan 0.000 0.436 577 L N -0.630 120.543 121.223 -0.084 0.000 2.083 577 L HA -0.183 4.151 4.340 -0.010 0.000 0.209 577 L C 2.000 178.865 176.870 -0.009 0.000 1.083 577 L CA 0.560 55.365 54.840 -0.059 0.000 0.752 577 L CB -0.351 41.680 42.059 -0.047 0.000 0.899 577 L HN 0.313 nan 8.230 nan 0.000 0.433 578 L N 0.019 121.228 121.223 -0.024 0.000 2.046 578 L HA -0.232 4.102 4.340 -0.010 0.000 0.208 578 L C 2.027 178.943 176.870 0.076 0.000 1.077 578 L CA 1.889 56.727 54.840 -0.004 0.000 0.747 578 L CB -0.830 41.112 42.059 -0.195 0.000 0.896 578 L HN 0.285 nan 8.230 nan 0.000 0.432 579 N N -1.638 117.075 118.700 0.021 0.000 2.084 579 N HA -0.235 4.499 4.740 -0.010 0.000 0.190 579 N C 1.949 177.537 175.510 0.130 0.000 1.030 579 N CA 1.633 54.774 53.050 0.151 0.000 0.849 579 N CB -0.149 38.359 38.487 0.035 0.000 1.012 579 N HN 0.490 nan 8.380 nan 0.000 0.423 580 C N 0.647 119.958 119.300 0.019 0.000 2.413 580 C HA -0.088 4.366 4.460 -0.010 0.000 0.276 580 C C 2.603 177.582 174.990 -0.018 0.000 1.248 580 C CA 0.412 59.395 59.018 -0.058 0.000 1.742 580 C CB -1.273 26.381 27.740 -0.143 0.000 2.017 580 C HN 0.509 nan 8.230 nan 0.000 0.481 581 L N -0.439 120.835 121.223 0.086 0.000 2.046 581 L HA -0.192 4.142 4.340 -0.010 0.000 0.208 581 L C 2.753 179.770 176.870 0.246 0.000 1.077 581 L CA 1.801 56.740 54.840 0.165 0.000 0.747 581 L CB -1.064 41.165 42.059 0.283 0.000 0.896 581 L HN 0.590 nan 8.230 nan 0.000 0.432 582 H N -0.030 119.148 119.070 0.179 0.000 2.321 582 H HA -0.137 4.413 4.556 -0.010 0.000 0.300 582 H C 2.241 177.559 175.328 -0.018 0.000 1.087 582 H CA 1.881 57.951 56.048 0.037 0.000 1.319 582 H CB 0.328 30.042 29.762 -0.080 0.000 1.379 582 H HN 0.088 nan 8.280 nan 0.000 0.501 583 V N 1.614 121.436 119.914 -0.152 0.000 2.287 583 V HA -0.284 3.830 4.120 -0.010 0.000 0.248 583 V C 2.832 178.849 176.094 -0.128 0.000 1.053 583 V CA 1.966 64.141 62.300 -0.209 0.000 1.027 583 V CB -0.521 31.226 31.823 -0.126 0.000 0.646 583 V HN 0.401 nan 8.190 nan 0.000 0.447 584 I N -0.251 120.279 120.570 -0.067 0.000 2.361 584 I HA -0.216 3.948 4.170 -0.010 0.000 0.251 584 I C 2.488 178.651 176.117 0.076 0.000 1.133 584 I CA 1.657 62.983 61.300 0.042 0.000 1.413 584 I CB -0.656 37.347 38.000 0.004 0.000 1.073 584 I HN 0.330 nan 8.210 nan 0.000 0.424 585 T N 1.185 115.744 114.554 0.008 0.000 2.708 585 T HA -0.145 4.199 4.350 -0.010 0.000 0.266 585 T C 1.876 176.528 174.700 -0.079 0.000 1.037 585 T CA 1.221 63.320 62.100 -0.001 0.000 1.146 585 T CB -0.241 68.654 68.868 0.045 0.000 0.865 585 T HN 0.083 nan 8.240 nan 0.000 0.435 586 L N 0.102 121.210 121.223 -0.192 0.000 2.046 586 L HA -0.026 4.308 4.340 -0.010 0.000 0.208 586 L C 2.096 178.920 176.870 -0.075 0.000 1.077 586 L CA 1.579 56.301 54.840 -0.197 0.000 0.747 586 L CB -0.960 40.907 42.059 -0.319 0.000 0.896 586 L HN 0.368 nan 8.230 nan 0.000 0.432 587 Y N 0.161 120.390 120.300 -0.119 0.000 2.145 587 Y HA -0.280 4.264 4.550 -0.010 0.000 0.286 587 Y C 2.419 178.292 175.900 -0.046 0.000 1.145 587 Y CA 1.767 59.836 58.100 -0.053 0.000 1.148 587 Y CB -0.066 38.405 38.460 0.019 0.000 0.981 587 Y HN 0.273 nan 8.280 nan 0.000 0.507 588 N N 0.468 119.105 118.700 -0.104 0.000 2.188 588 N HA -0.132 4.602 4.740 -0.010 0.000 0.184 588 N C 1.787 177.177 175.510 -0.200 0.000 1.018 588 N CA 1.438 54.365 53.050 -0.205 0.000 0.858 588 N CB -0.344 38.086 38.487 -0.094 0.000 0.989 588 N HN 0.454 nan 8.380 nan 0.000 0.426 589 R N 0.399 120.810 120.500 -0.148 0.000 2.092 589 R HA 0.092 4.426 4.340 -0.010 0.000 0.231 589 R C 2.191 178.402 176.300 -0.148 0.000 1.119 589 R CA 0.688 56.712 56.100 -0.128 0.000 0.970 589 R CB -0.199 30.037 30.300 -0.107 0.000 0.864 589 R HN 0.238 nan 8.270 nan 0.000 0.440 590 I N 0.938 121.400 120.570 -0.182 0.000 2.252 590 I HA -0.252 3.912 4.170 -0.010 0.000 0.245 590 I C 2.027 178.025 176.117 -0.198 0.000 1.102 590 I CA 1.167 62.362 61.300 -0.175 0.000 1.385 590 I CB -0.153 37.745 38.000 -0.169 0.000 1.064 590 I HN 0.026 nan 8.210 nan 0.000 0.414 591 K N 0.815 121.033 120.400 -0.303 0.000 2.211 591 K HA -0.190 4.124 4.320 -0.010 0.000 0.203 591 K C 2.006 178.506 176.600 -0.167 0.000 1.050 591 K CA 1.012 57.136 56.287 -0.272 0.000 0.945 591 K CB -0.236 32.020 32.500 -0.406 0.000 0.732 591 K HN 0.146 nan 8.250 nan 0.000 0.451 592 K N 1.726 122.034 120.400 -0.153 0.000 2.076 592 K HA -0.060 4.254 4.320 -0.010 0.000 0.204 592 K C 0.083 176.635 176.600 -0.080 0.000 1.051 592 K CA 1.228 57.452 56.287 -0.105 0.000 0.949 592 K CB 0.359 32.801 32.500 -0.097 0.000 0.726 592 K HN 0.040 nan 8.250 nan 0.000 0.443 593 E N 0.191 120.341 120.200 -0.082 0.000 3.108 593 E HA 0.166 4.510 4.350 -0.010 0.000 0.228 593 E C -2.332 174.231 176.600 -0.061 0.000 1.176 593 E CA -1.661 54.703 56.400 -0.059 0.000 0.881 593 E CB 1.634 31.305 29.700 -0.048 0.000 1.354 593 E HN 0.071 nan 8.360 nan 0.000 0.400 594 P HA -0.175 nan 4.420 nan 0.000 0.216 594 P C 0.238 177.520 177.300 -0.030 0.000 1.153 594 P CA 1.295 64.363 63.100 -0.054 0.000 0.858 594 P CB 0.179 31.852 31.700 -0.045 0.000 0.789 595 N N -1.120 117.571 118.700 -0.015 0.000 2.322 595 N HA 0.035 4.769 4.740 -0.010 0.000 0.216 595 N C 0.309 175.835 175.510 0.026 0.000 1.144 595 N CA -0.027 53.027 53.050 0.007 0.000 0.830 595 N CB -0.137 38.353 38.487 0.006 0.000 1.034 595 N HN 0.168 nan 8.380 nan 0.000 0.484 596 K N 0.820 121.228 120.400 0.014 0.000 2.130 596 K HA 0.192 4.506 4.320 -0.010 0.000 0.268 596 K C -0.959 175.680 176.600 0.064 0.000 0.983 596 K CA -0.667 55.642 56.287 0.037 0.000 0.893 596 K CB 0.677 33.176 32.500 -0.000 0.000 1.066 596 K HN -0.092 nan 8.250 nan 0.000 0.450 597 F N 4.810 124.744 119.950 -0.027 0.000 2.412 597 F HA 0.312 4.833 4.527 -0.010 0.000 0.348 597 F C -0.635 175.148 175.800 -0.028 0.000 1.102 597 F CA -0.147 57.838 58.000 -0.025 0.000 1.196 597 F CB 0.859 39.847 39.000 -0.019 0.000 1.144 597 F HN 0.232 nan 8.300 nan 0.000 0.541 598 V N 4.097 123.398 119.914 -1.022 0.000 2.888 598 V HA 0.538 4.652 4.120 -0.010 0.000 0.309 598 V C -0.929 174.574 176.094 -0.984 0.000 1.114 598 V CA -1.197 60.658 62.300 -0.741 0.000 0.940 598 V CB 0.915 32.514 31.823 -0.372 0.000 1.021 598 V HN 0.581 nan 8.190 nan 0.000 0.426 599 V N 4.790 124.367 119.914 -0.561 0.000 2.493 599 V HA 0.194 4.308 4.120 -0.010 0.000 0.292 599 V C -1.844 174.083 176.094 -0.278 0.000 1.016 599 V CA -0.401 61.702 62.300 -0.327 0.000 1.097 599 V CB 0.427 32.178 31.823 -0.119 0.000 0.947 599 V HN 0.900 nan 8.190 nan 0.000 0.479 600 P HA 0.339 nan 4.420 nan 0.000 0.268 600 P C -0.462 176.753 177.300 -0.143 0.000 1.204 600 P CA 0.008 63.023 63.100 -0.142 0.000 0.768 600 P CB 0.523 32.187 31.700 -0.059 0.000 0.842 601 R N 1.055 121.482 120.500 -0.121 0.000 2.725 601 R HA 0.620 4.954 4.340 -0.010 0.000 0.277 601 R C -0.865 175.401 176.300 -0.056 0.000 0.987 601 R CA -0.668 55.364 56.100 -0.113 0.000 0.901 601 R CB 1.929 32.139 30.300 -0.150 0.000 1.207 601 R HN 0.246 nan 8.270 nan 0.000 0.463 602 T N 1.811 116.353 114.554 -0.021 0.000 2.864 602 T HA 0.260 4.604 4.350 -0.010 0.000 0.310 602 T C -0.556 174.074 174.700 -0.115 0.000 1.040 602 T CA -0.514 61.544 62.100 -0.071 0.000 0.977 602 T CB 1.111 69.901 68.868 -0.130 0.000 0.976 602 T HN 0.142 nan 8.240 nan 0.000 0.459 603 V N 5.845 125.694 119.914 -0.109 0.000 2.385 603 V HA 0.434 4.548 4.120 -0.010 0.000 0.269 603 V C 0.087 176.108 176.094 -0.121 0.000 1.043 603 V CA -0.387 61.850 62.300 -0.105 0.000 0.906 603 V CB 0.701 32.473 31.823 -0.085 0.000 0.995 603 V HN 0.845 nan 8.190 nan 0.000 0.467 604 M N 6.583 126.101 119.600 -0.138 0.000 2.243 604 M HA 0.627 5.101 4.480 -0.010 0.000 0.324 604 M C -1.013 175.183 176.300 -0.173 0.000 1.031 604 M CA -0.188 55.022 55.300 -0.151 0.000 0.949 604 M CB 2.054 34.562 32.600 -0.153 0.000 1.615 604 M HN 0.431 nan 8.290 nan 0.000 0.430 605 I N 1.777 122.222 120.570 -0.208 0.000 2.533 605 I HA 0.823 4.987 4.170 -0.010 0.000 0.290 605 I C -0.011 175.789 176.117 -0.530 0.000 1.056 605 I CA -0.653 60.497 61.300 -0.251 0.000 1.057 605 I CB 2.351 40.289 38.000 -0.104 0.000 1.240 605 I HN 0.801 nan 8.210 nan 0.000 0.423 606 G N 2.925 111.383 108.800 -0.570 0.000 2.690 606 G HA2 0.842 4.796 3.960 -0.010 0.000 0.293 606 G HA3 0.842 4.796 3.960 -0.010 0.000 0.293 606 G C -1.040 173.580 174.900 -0.466 0.000 1.399 606 G CA -0.779 43.842 45.100 -0.798 0.000 0.890 606 G HN 0.994 nan 8.290 nan 0.000 0.485 607 G N -0.343 108.340 108.800 -0.195 0.000 2.352 607 G HA2 0.426 4.380 3.960 -0.010 0.000 0.303 607 G HA3 0.426 4.380 3.960 -0.010 0.000 0.303 607 G C -1.332 173.707 174.900 0.231 0.000 1.593 607 G CA -1.019 44.124 45.100 0.073 0.000 0.963 607 G HN 0.607 nan 8.290 nan 0.000 0.685 608 K N -0.158 120.370 120.400 0.212 0.000 2.118 608 K HA 0.776 5.090 4.320 -0.010 0.000 0.254 608 K C 0.157 176.881 176.600 0.206 0.000 0.961 608 K CA -0.318 56.109 56.287 0.233 0.000 0.876 608 K CB 2.166 34.713 32.500 0.079 0.000 1.077 608 K HN 0.862 nan 8.250 nan 0.000 0.440 609 A N 1.296 124.268 122.820 0.254 0.000 2.324 609 A HA 0.651 4.965 4.320 -0.010 0.000 0.330 609 A C -0.491 177.242 177.584 0.247 0.000 1.165 609 A CA -0.738 51.376 52.037 0.129 0.000 0.813 609 A CB 1.071 20.070 19.000 -0.002 0.000 1.197 609 A HN 0.772 nan 8.150 nan 0.000 0.484 610 A N 3.480 126.421 122.820 0.200 0.000 2.511 610 A HA 0.481 4.795 4.320 -0.010 0.000 0.242 610 A C -1.407 176.242 177.584 0.108 0.000 1.069 610 A CA -0.833 51.333 52.037 0.216 0.000 0.763 610 A CB -0.362 18.735 19.000 0.162 0.000 1.001 610 A HN 0.601 nan 8.150 nan 0.000 0.498 611 P HA -0.162 nan 4.420 nan 0.000 0.217 611 P C 1.354 178.640 177.300 -0.023 0.000 1.151 611 P CA 2.068 65.105 63.100 -0.105 0.000 0.849 611 P CB 0.203 31.789 31.700 -0.191 0.000 0.787 612 G N -3.061 105.745 108.800 0.011 0.000 3.042 612 G HA2 -0.100 3.854 3.960 -0.010 0.000 0.212 612 G HA3 -0.100 3.854 3.960 -0.010 0.000 0.212 612 G C -0.084 174.853 174.900 0.061 0.000 1.166 612 G CA -0.153 44.958 45.100 0.019 0.000 0.767 612 G HN 0.313 nan 8.290 nan 0.000 0.546 613 Y N 1.860 122.102 120.300 -0.097 0.000 2.636 613 Y HA 0.155 4.699 4.550 -0.010 0.000 0.341 613 Y C 1.710 177.599 175.900 -0.018 0.000 1.169 613 Y CA -1.014 57.018 58.100 -0.114 0.000 1.498 613 Y CB -0.013 38.338 38.460 -0.181 0.000 1.362 613 Y HN 0.306 nan 8.280 nan 0.000 0.494 614 H N 3.822 123.017 119.070 0.209 0.000 2.289 614 H HA -0.260 4.290 4.556 -0.010 0.000 0.296 614 H C 1.865 177.229 175.328 0.061 0.000 1.091 614 H CA 2.476 58.592 56.048 0.114 0.000 1.274 614 H CB 0.318 30.144 29.762 0.107 0.000 1.364 614 H HN 0.712 nan 8.280 nan 0.000 0.490 615 M N 1.016 120.622 119.600 0.010 0.000 2.108 615 M HA -0.108 4.366 4.480 -0.010 0.000 0.261 615 M C 2.575 178.635 176.300 -0.400 0.000 1.066 615 M CA 1.909 57.121 55.300 -0.148 0.000 1.107 615 M CB -0.793 31.869 32.600 0.104 0.000 1.356 615 M HN 0.356 nan 8.290 nan 0.000 0.406 616 A N -0.421 121.905 122.820 -0.822 0.000 1.933 616 A HA -0.205 4.109 4.320 -0.010 0.000 0.218 616 A C 2.205 179.567 177.584 -0.371 0.000 1.175 616 A CA 1.930 53.504 52.037 -0.772 0.000 0.628 616 A CB -0.676 17.636 19.000 -1.145 0.000 0.814 616 A HN 0.594 nan 8.150 nan 0.000 0.444 617 K N -1.167 119.072 120.400 -0.268 0.000 2.148 617 K HA -0.036 4.278 4.320 -0.010 0.000 0.204 617 K C 1.874 178.411 176.600 -0.105 0.000 1.050 617 K CA 1.171 57.390 56.287 -0.112 0.000 0.942 617 K CB -0.195 32.306 32.500 0.001 0.000 0.724 617 K HN 0.362 nan 8.250 nan 0.000 0.446 618 M N 0.432 119.922 119.600 -0.183 0.000 2.254 618 M HA -0.050 4.424 4.480 -0.010 0.000 0.265 618 M C 2.071 178.291 176.300 -0.132 0.000 1.066 618 M CA 1.314 56.543 55.300 -0.117 0.000 1.123 618 M CB -0.546 31.976 32.600 -0.129 0.000 1.388 618 M HN 0.117 nan 8.290 nan 0.000 0.425 619 I N -0.226 120.232 120.570 -0.186 0.000 2.315 619 I HA -0.282 3.882 4.170 -0.010 0.000 0.248 619 I C 2.270 178.251 176.117 -0.226 0.000 1.117 619 I CA 0.996 62.178 61.300 -0.196 0.000 1.404 619 I CB -0.267 37.617 38.000 -0.193 0.000 1.071 619 I HN 0.170 nan 8.210 nan 0.000 0.419 620 I N 0.693 121.109 120.570 -0.256 0.000 2.252 620 I HA -0.285 3.879 4.170 -0.010 0.000 0.245 620 I C 2.591 178.426 176.117 -0.471 0.000 1.102 620 I CA 1.173 62.236 61.300 -0.395 0.000 1.385 620 I CB -0.272 37.470 38.000 -0.430 0.000 1.064 620 I HN 0.139 nan 8.210 nan 0.000 0.414 621 K N 1.529 121.654 120.400 -0.458 0.000 2.097 621 K HA -0.152 4.162 4.320 -0.010 0.000 0.206 621 K C 2.022 178.449 176.600 -0.289 0.000 1.049 621 K CA 1.466 57.401 56.287 -0.587 0.000 0.933 621 K CB -0.524 31.332 32.500 -1.073 0.000 0.717 621 K HN 0.234 nan 8.250 nan 0.000 0.442 622 L N 0.308 121.384 121.223 -0.245 0.000 2.017 622 L HA -0.140 4.194 4.340 -0.010 0.000 0.208 622 L C 2.154 178.778 176.870 -0.409 0.000 1.073 622 L CA 1.624 56.158 54.840 -0.511 0.000 0.745 622 L CB -0.283 41.394 42.059 -0.636 0.000 0.894 622 L HN 0.257 nan 8.230 nan 0.000 0.432 623 I N -0.071 120.315 120.570 -0.307 0.000 2.163 623 I HA -0.343 3.821 4.170 -0.010 0.000 0.243 623 I C 2.634 178.642 176.117 -0.182 0.000 1.085 623 I CA 1.978 63.151 61.300 -0.210 0.000 1.347 623 I CB -0.614 37.343 38.000 -0.071 0.000 1.044 623 I HN 0.426 nan 8.210 nan 0.000 0.408 624 T N -0.764 113.656 114.554 -0.224 0.000 2.821 624 T HA -0.083 4.261 4.350 -0.010 0.000 0.267 624 T C 1.989 176.619 174.700 -0.116 0.000 1.046 624 T CA 0.955 62.955 62.100 -0.166 0.000 1.139 624 T CB -0.508 68.216 68.868 -0.241 0.000 0.871 624 T HN 0.347 nan 8.240 nan 0.000 0.454 625 A N 1.632 124.376 122.820 -0.127 0.000 1.902 625 A HA 0.120 4.434 4.320 -0.010 0.000 0.217 625 A C 2.402 179.982 177.584 -0.007 0.000 1.181 625 A CA 1.360 53.389 52.037 -0.013 0.000 0.623 625 A CB -0.841 18.234 19.000 0.126 0.000 0.818 625 A HN 0.598 nan 8.150 nan 0.000 0.443 626 I N -0.336 120.118 120.570 -0.194 0.000 2.226 626 I HA -0.200 3.964 4.170 -0.010 0.000 0.245 626 I C 2.684 178.743 176.117 -0.097 0.000 1.100 626 I CA 1.111 62.260 61.300 -0.252 0.000 1.374 626 I CB -0.629 37.112 38.000 -0.431 0.000 1.057 626 I HN 0.402 nan 8.210 nan 0.000 0.413 627 G N 0.444 109.192 108.800 -0.087 0.000 2.422 627 G HA2 -0.242 3.713 3.960 -0.010 0.000 0.218 627 G HA3 -0.242 3.713 3.960 -0.010 0.000 0.218 627 G C 1.228 176.134 174.900 0.010 0.000 1.146 627 G CA 0.852 45.921 45.100 -0.052 0.000 0.769 627 G HN 0.283 nan 8.290 nan 0.000 0.547 628 D N 0.082 120.521 120.400 0.064 0.000 2.144 628 D HA -0.080 4.554 4.640 -0.010 0.000 0.199 628 D C 2.697 179.123 176.300 0.210 0.000 0.984 628 D CA 0.649 54.751 54.000 0.169 0.000 0.834 628 D CB -0.212 40.638 40.800 0.083 0.000 0.955 628 D HN 0.246 nan 8.370 nan 0.000 0.465 629 V N 0.188 120.162 119.914 0.100 0.000 2.331 629 V HA -0.133 3.981 4.120 -0.010 0.000 0.242 629 V C 2.581 178.653 176.094 -0.037 0.000 1.034 629 V CA 0.768 63.085 62.300 0.028 0.000 1.027 629 V CB -0.256 31.582 31.823 0.026 0.000 0.667 629 V HN 0.029 nan 8.190 nan 0.000 0.457 630 V N 0.962 120.788 119.914 -0.146 0.000 2.343 630 V HA -0.193 3.921 4.120 -0.010 0.000 0.247 630 V C 2.072 178.128 176.094 -0.064 0.000 1.051 630 V CA 1.916 64.113 62.300 -0.171 0.000 1.036 630 V CB -0.847 30.860 31.823 -0.194 0.000 0.654 630 V HN 0.574 nan 8.190 nan 0.000 0.451 631 N N -0.356 118.267 118.700 -0.128 0.000 2.550 631 N HA -0.068 4.666 4.740 -0.010 0.000 0.186 631 N C 1.057 176.289 175.510 -0.464 0.000 1.110 631 N CA 0.794 53.673 53.050 -0.285 0.000 0.912 631 N CB -0.209 38.057 38.487 -0.369 0.000 0.968 631 N HN 0.680 nan 8.380 nan 0.000 0.448 632 H N -1.507 117.565 119.070 0.004 0.000 2.785 632 H HA 0.197 4.747 4.556 -0.010 0.000 0.268 632 H C -0.554 174.789 175.328 0.024 0.000 1.153 632 H CA -0.495 55.557 56.048 0.008 0.000 1.111 632 H CB 0.675 30.436 29.762 -0.001 0.000 1.633 632 H HN -0.013 nan 8.280 nan 0.000 0.576 633 D N 1.728 122.200 120.400 0.120 0.000 2.339 633 D HA 0.048 4.682 4.640 -0.010 0.000 0.241 633 D C -1.653 174.700 176.300 0.088 0.000 1.183 633 D CA -1.981 52.105 54.000 0.142 0.000 0.859 633 D CB 1.667 42.630 40.800 0.272 0.000 1.067 633 D HN 0.089 nan 8.370 nan 0.000 0.484 634 P HA -0.167 nan 4.420 nan 0.000 0.216 634 P C 1.586 178.900 177.300 0.024 0.000 1.153 634 P CA 0.583 63.704 63.100 0.034 0.000 0.858 634 P CB 0.371 32.089 31.700 0.030 0.000 0.789 635 V N -0.795 119.136 119.914 0.028 0.000 2.594 635 V HA -0.175 3.939 4.120 -0.010 0.000 0.253 635 V C 2.387 178.481 176.094 0.000 0.000 1.069 635 V CA 1.532 63.836 62.300 0.006 0.000 1.082 635 V CB -1.059 30.758 31.823 -0.010 0.000 0.680 635 V HN -0.003 nan 8.190 nan 0.000 0.469 636 V N -0.289 119.642 119.914 0.029 0.000 2.379 636 V HA 0.149 4.263 4.120 -0.010 0.000 0.245 636 V C 1.744 177.836 176.094 -0.004 0.000 1.044 636 V CA 1.470 63.785 62.300 0.026 0.000 1.036 636 V CB -1.154 30.730 31.823 0.103 0.000 0.664 636 V HN 0.741 nan 8.190 nan 0.000 0.453 637 G N 1.622 110.417 108.800 -0.008 0.000 2.547 637 G HA2 -0.334 3.620 3.960 -0.010 0.000 0.271 637 G HA3 -0.334 3.620 3.960 -0.010 0.000 0.271 637 G C 0.179 175.050 174.900 -0.048 0.000 1.209 637 G CA 0.342 45.425 45.100 -0.029 0.000 0.959 637 G HN 0.680 nan 8.290 nan 0.000 0.563 638 D N 0.265 120.636 120.400 -0.049 0.000 2.587 638 D HA 0.242 4.876 4.640 -0.010 0.000 0.233 638 D C 1.649 177.926 176.300 -0.038 0.000 1.213 638 D CA -0.098 53.871 54.000 -0.052 0.000 0.827 638 D CB -0.000 40.770 40.800 -0.050 0.000 1.006 638 D HN 0.584 nan 8.370 nan 0.000 0.490 639 R N -0.759 119.713 120.500 -0.048 0.000 2.210 639 R HA 0.274 4.608 4.340 -0.010 0.000 0.203 639 R C -0.041 176.213 176.300 -0.077 0.000 1.010 639 R CA 0.140 56.195 56.100 -0.074 0.000 1.008 639 R CB 0.417 30.660 30.300 -0.095 0.000 0.923 639 R HN 0.091 nan 8.270 nan 0.000 0.469 640 L N 0.702 121.893 121.223 -0.053 0.000 2.562 640 L HA 0.415 4.749 4.340 -0.010 0.000 0.266 640 L C -1.681 175.160 176.870 -0.048 0.000 0.949 640 L CA -0.553 54.256 54.840 -0.051 0.000 0.879 640 L CB 1.719 43.760 42.059 -0.030 0.000 1.278 640 L HN -0.155 nan 8.230 nan 0.000 0.404 641 R N 3.806 124.270 120.500 -0.061 0.000 2.686 641 R HA 0.778 5.112 4.340 -0.010 0.000 0.286 641 R C -1.557 174.694 176.300 -0.082 0.000 0.969 641 R CA -0.813 55.244 56.100 -0.072 0.000 0.898 641 R CB 2.384 32.646 30.300 -0.064 0.000 1.183 641 R HN 0.387 nan 8.270 nan 0.000 0.456 642 V N 4.714 124.578 119.914 -0.083 0.000 2.349 642 V HA 0.419 4.533 4.120 -0.010 0.000 0.284 642 V C -0.461 175.597 176.094 -0.060 0.000 1.014 642 V CA -0.689 61.563 62.300 -0.080 0.000 0.826 642 V CB 1.454 33.223 31.823 -0.090 0.000 1.009 642 V HN 0.501 nan 8.190 nan 0.000 0.431 643 I N 4.925 125.458 120.570 -0.061 0.000 2.474 643 I HA 0.462 4.626 4.170 -0.010 0.000 0.294 643 I C -0.608 175.498 176.117 -0.019 0.000 1.005 643 I CA -0.596 60.681 61.300 -0.038 0.000 1.113 643 I CB 1.787 39.746 38.000 -0.068 0.000 1.289 643 I HN 0.535 nan 8.210 nan 0.000 0.436 644 F N 7.079 126.969 119.950 -0.101 0.000 2.385 644 F HA 0.492 5.013 4.527 -0.009 0.000 0.360 644 F C -0.595 175.149 175.800 -0.094 0.000 1.122 644 F CA -0.758 57.183 58.000 -0.100 0.000 1.090 644 F CB 0.670 39.608 39.000 -0.104 0.000 1.150 644 F HN 0.140 nan 8.300 nan 0.000 0.472 645 L N 6.072 126.882 121.223 -0.687 0.000 2.407 645 L HA 0.145 4.479 4.340 -0.010 0.000 0.282 645 L C 0.374 176.980 176.870 -0.440 0.000 1.110 645 L CA 0.212 54.806 54.840 -0.410 0.000 0.863 645 L CB -0.115 41.793 42.059 -0.252 0.000 1.207 645 L HN 0.626 nan 8.230 nan 0.000 0.454 646 E N 3.119 123.214 120.200 -0.176 0.000 2.392 646 E HA -0.050 4.295 4.350 -0.010 0.000 0.264 646 E C 0.568 177.240 176.600 0.120 0.000 1.024 646 E CA -0.171 56.248 56.400 0.031 0.000 0.903 646 E CB 0.293 29.911 29.700 -0.138 0.000 0.963 646 E HN 0.536 nan 8.360 nan 0.000 0.432 647 N N 2.536 121.360 118.700 0.207 0.000 2.725 647 N HA -0.289 4.445 4.740 -0.010 0.000 0.251 647 N C -1.488 174.127 175.510 0.174 0.000 1.031 647 N CA 0.546 53.715 53.050 0.198 0.000 0.720 647 N CB -1.496 37.123 38.487 0.219 0.000 0.930 647 N HN 0.462 nan 8.380 nan 0.000 0.543 648 Y N 1.421 121.738 120.300 0.029 0.000 2.721 648 Y HA 0.147 4.691 4.550 -0.010 0.000 0.329 648 Y C 1.132 177.054 175.900 0.036 0.000 1.211 648 Y CA 0.678 58.781 58.100 0.005 0.000 1.512 648 Y CB 0.294 38.725 38.460 -0.048 0.000 1.249 648 Y HN 0.391 nan 8.280 nan 0.000 0.549 649 R N 2.378 122.552 120.500 -0.543 0.000 2.762 649 R HA 0.466 4.800 4.340 -0.010 0.000 0.271 649 R C -0.351 175.611 176.300 -0.562 0.000 1.038 649 R CA -0.571 55.270 56.100 -0.431 0.000 0.906 649 R CB 0.290 30.527 30.300 -0.105 0.000 1.259 649 R HN 0.338 nan 8.270 nan 0.000 0.457 650 V N 1.037 120.657 119.914 -0.491 0.000 2.252 650 V HA -0.309 3.806 4.120 -0.010 0.000 0.249 650 V C 2.575 178.545 176.094 -0.207 0.000 1.056 650 V CA 2.860 64.940 62.300 -0.367 0.000 1.022 650 V CB -0.901 30.687 31.823 -0.390 0.000 0.641 650 V HN 0.933 nan 8.190 nan 0.000 0.445 651 S N 0.102 115.702 115.700 -0.168 0.000 2.399 651 S HA -0.184 4.280 4.470 -0.010 0.000 0.231 651 S C 1.919 176.466 174.600 -0.088 0.000 1.022 651 S CA 1.717 59.847 58.200 -0.117 0.000 0.983 651 S CB -0.539 62.623 63.200 -0.064 0.000 0.803 651 S HN 0.398 nan 8.310 nan 0.000 0.480 652 L N 1.960 123.136 121.223 -0.078 0.000 2.109 652 L HA 0.338 4.672 4.340 -0.010 0.000 0.207 652 L C 2.668 179.542 176.870 0.006 0.000 1.086 652 L CA 1.413 56.249 54.840 -0.007 0.000 0.760 652 L CB -1.308 40.806 42.059 0.091 0.000 0.910 652 L HN 0.343 nan 8.230 nan 0.000 0.437 653 A N -0.706 122.096 122.820 -0.030 0.000 1.933 653 A HA -0.229 4.085 4.320 -0.010 0.000 0.218 653 A C 2.119 179.758 177.584 0.093 0.000 1.175 653 A CA 1.791 53.891 52.037 0.104 0.000 0.628 653 A CB -0.600 18.444 19.000 0.075 0.000 0.814 653 A HN 0.606 nan 8.150 nan 0.000 0.444 654 E N -0.453 119.774 120.200 0.044 0.000 2.268 654 E HA -0.151 4.194 4.350 -0.010 0.000 0.195 654 E C 1.850 178.407 176.600 -0.073 0.000 0.995 654 E CA 1.112 57.493 56.400 -0.031 0.000 0.836 654 E CB -0.034 29.559 29.700 -0.179 0.000 0.763 654 E HN 0.622 nan 8.360 nan 0.000 0.491 655 K N 0.051 120.389 120.400 -0.104 0.000 2.141 655 K HA 0.026 4.340 4.320 -0.010 0.000 0.202 655 K C 2.175 178.580 176.600 -0.324 0.000 1.045 655 K CA 0.429 56.633 56.287 -0.138 0.000 0.971 655 K CB -0.016 32.397 32.500 -0.146 0.000 0.795 655 K HN -0.045 nan 8.250 nan 0.000 0.459 656 V N 2.042 121.668 119.914 -0.480 0.000 2.453 656 V HA -0.149 3.965 4.120 -0.010 0.000 0.247 656 V C 1.922 177.773 176.094 -0.405 0.000 1.048 656 V CA 1.288 63.095 62.300 -0.822 0.000 1.049 656 V CB -0.192 31.255 31.823 -0.627 0.000 0.672 656 V HN 0.243 nan 8.190 nan 0.000 0.457 657 I N 0.634 121.024 120.570 -0.300 0.000 2.163 657 I HA -0.152 4.012 4.170 -0.010 0.000 0.243 657 I C -0.232 175.781 176.117 -0.174 0.000 1.085 657 I CA 1.750 62.817 61.300 -0.388 0.000 1.347 657 I CB -1.574 36.084 38.000 -0.570 0.000 1.044 657 I HN 0.367 nan 8.210 nan 0.000 0.408 658 P HA -0.109 nan 4.420 nan 0.000 0.225 658 P C 0.914 178.217 177.300 0.006 0.000 1.148 658 P CA 1.214 64.295 63.100 -0.032 0.000 0.779 658 P CB 0.057 31.744 31.700 -0.022 0.000 0.780 659 A N -1.287 121.522 122.820 -0.018 0.000 2.308 659 A HA 0.490 4.804 4.320 -0.010 0.000 0.217 659 A C 1.122 178.832 177.584 0.211 0.000 1.216 659 A CA 0.043 52.134 52.037 0.090 0.000 0.864 659 A CB -0.585 18.485 19.000 0.116 0.000 0.902 659 A HN 0.183 nan 8.150 nan 0.000 0.499 660 A N -0.137 122.795 122.820 0.187 0.000 2.354 660 A HA 0.481 4.795 4.320 -0.010 0.000 0.269 660 A C 0.355 178.096 177.584 0.261 0.000 1.109 660 A CA -0.153 52.055 52.037 0.285 0.000 0.800 660 A CB 0.359 19.618 19.000 0.430 0.000 1.045 660 A HN 0.266 nan 8.150 nan 0.000 0.489 661 D N 0.150 120.700 120.400 0.251 0.000 2.431 661 D HA 0.115 4.749 4.640 -0.010 0.000 0.235 661 D C -0.296 176.216 176.300 0.354 0.000 0.980 661 D CA 0.791 54.983 54.000 0.320 0.000 0.912 661 D CB 0.280 41.176 40.800 0.159 0.000 1.056 661 D HN 0.342 nan 8.370 nan 0.000 0.494 662 L N 0.677 121.994 121.223 0.157 0.000 2.356 662 L HA 0.356 4.690 4.340 -0.010 0.000 0.277 662 L C -0.739 176.016 176.870 -0.193 0.000 0.996 662 L CA -0.539 54.318 54.840 0.028 0.000 0.822 662 L CB 2.062 44.111 42.059 -0.016 0.000 1.256 662 L HN -0.278 nan 8.230 nan 0.000 0.413 663 S N 4.195 119.689 115.700 -0.343 0.000 2.429 663 S HA 0.457 4.921 4.470 -0.010 0.000 0.302 663 S C -0.597 173.722 174.600 -0.468 0.000 1.115 663 S CA -0.632 57.106 58.200 -0.769 0.000 1.095 663 S CB 0.402 63.071 63.200 -0.885 0.000 0.987 663 S HN 0.624 nan 8.310 nan 0.000 0.474 664 E N 4.116 124.054 120.200 -0.436 0.000 2.089 664 E HA 0.216 4.560 4.350 -0.010 0.000 0.284 664 E C -0.571 175.915 176.600 -0.190 0.000 1.023 664 E CA -0.426 55.844 56.400 -0.216 0.000 0.819 664 E CB 1.021 30.626 29.700 -0.159 0.000 1.076 664 E HN 0.600 nan 8.360 nan 0.000 0.396 665 Q N 2.798 122.541 119.800 -0.096 0.000 3.064 665 Q HA 0.271 4.605 4.340 -0.010 0.000 0.258 665 Q C 0.570 176.560 176.000 -0.017 0.000 0.972 665 Q CA -0.139 55.623 55.803 -0.069 0.000 0.761 665 Q CB 0.294 29.003 28.738 -0.047 0.000 1.281 665 Q HN 0.615 nan 8.270 nan 0.000 0.455 666 I N -1.605 118.942 120.570 -0.038 0.000 3.736 666 I HA 0.277 4.441 4.170 -0.010 0.000 0.338 666 I C 0.425 176.493 176.117 -0.081 0.000 1.558 666 I CA -0.668 60.621 61.300 -0.019 0.000 1.147 666 I CB 0.377 38.369 38.000 -0.013 0.000 1.275 666 I HN 0.007 nan 8.210 nan 0.000 0.454 667 S N 0.322 115.974 115.700 -0.081 0.000 2.584 667 S HA 0.208 4.672 4.470 -0.010 0.000 0.270 667 S C 0.557 175.136 174.600 -0.035 0.000 1.346 667 S CA -0.294 57.873 58.200 -0.055 0.000 1.018 667 S CB 0.422 63.638 63.200 0.027 0.000 0.899 667 S HN 0.382 nan 8.310 nan 0.000 0.542 668 T N 2.532 117.096 114.554 0.016 0.000 2.888 668 T HA 0.416 4.760 4.350 -0.010 0.000 0.301 668 T C 0.728 175.434 174.700 0.010 0.000 1.001 668 T CA 0.204 62.321 62.100 0.027 0.000 1.147 668 T CB 0.120 69.073 68.868 0.142 0.000 0.931 668 T HN 1.007 nan 8.240 nan 0.000 0.541 669 A N 2.646 125.443 122.820 -0.039 0.000 2.580 669 A HA 0.429 4.743 4.320 -0.010 0.000 0.244 669 A C 1.651 179.226 177.584 -0.014 0.000 1.045 669 A CA 0.358 52.370 52.037 -0.043 0.000 0.761 669 A CB -0.975 17.988 19.000 -0.061 0.000 0.962 669 A HN 1.722 nan 8.150 nan 0.000 0.512 670 G N 1.494 110.284 108.800 -0.015 0.000 2.175 670 G HA2 -0.247 3.707 3.960 -0.010 0.000 0.244 670 G HA3 -0.247 3.707 3.960 -0.010 0.000 0.244 670 G C 0.863 175.751 174.900 -0.020 0.000 0.982 670 G CA 1.164 46.257 45.100 -0.012 0.000 0.641 670 G HN 2.017 nan 8.290 nan 0.000 0.527 671 T N -2.605 111.933 114.554 -0.026 0.000 3.018 671 T HA 0.406 4.750 4.350 -0.010 0.000 0.246 671 T C 0.754 175.302 174.700 -0.253 0.000 1.026 671 T CA 1.055 63.076 62.100 -0.131 0.000 1.081 671 T CB 0.552 69.381 68.868 -0.065 0.000 0.970 671 T HN 0.289 nan 8.240 nan 0.000 0.475 672 E N 1.508 121.684 120.200 -0.040 0.000 2.044 672 E HA 0.669 5.013 4.350 -0.010 0.000 0.282 672 E C 1.172 177.724 176.600 -0.081 0.000 1.031 672 E CA 0.038 56.456 56.400 0.030 0.000 0.824 672 E CB 0.770 30.550 29.700 0.133 0.000 1.076 672 E HN 0.332 nan 8.360 nan 0.000 0.395 673 A N 3.417 126.111 122.820 -0.210 0.000 1.903 673 A HA -0.237 4.077 4.320 -0.010 0.000 0.219 673 A C 1.978 179.444 177.584 -0.197 0.000 1.191 673 A CA 2.350 54.136 52.037 -0.418 0.000 0.638 673 A CB -0.298 18.193 19.000 -0.849 0.000 0.823 673 A HN 0.606 nan 8.150 nan 0.000 0.451 674 S N -4.082 111.557 115.700 -0.101 0.000 3.984 674 S HA 0.457 4.921 4.470 -0.010 0.000 0.221 674 S C 0.658 175.252 174.600 -0.010 0.000 1.149 674 S CA 1.392 59.579 58.200 -0.023 0.000 0.950 674 S CB -0.064 63.146 63.200 0.015 0.000 1.216 674 S HN 2.303 nan 8.310 nan 0.000 0.547 675 G N 0.296 109.096 108.800 -0.000 0.000 2.705 675 G HA2 -0.031 3.923 3.960 -0.010 0.000 0.686 675 G HA3 -0.031 3.923 3.960 -0.010 0.000 0.686 675 G C 0.222 175.110 174.900 -0.020 0.000 1.285 675 G CA 0.462 45.559 45.100 -0.004 0.000 0.800 675 G HN 1.320 nan 8.290 nan 0.000 0.611 676 T N -2.043 112.485 114.554 -0.045 0.000 2.992 676 T HA 0.382 4.726 4.350 -0.010 0.000 0.255 676 T C 2.333 176.938 174.700 -0.159 0.000 0.938 676 T CA 1.242 63.286 62.100 -0.092 0.000 0.895 676 T CB 0.361 69.165 68.868 -0.106 0.000 1.221 676 T HN 1.878 nan 8.240 nan 0.000 0.512 677 G N 3.093 111.827 108.800 -0.109 0.000 2.422 677 G HA2 -0.238 3.716 3.960 -0.010 0.000 0.218 677 G HA3 -0.238 3.716 3.960 -0.010 0.000 0.218 677 G C 1.462 176.417 174.900 0.092 0.000 1.146 677 G CA 1.111 46.165 45.100 -0.077 0.000 0.769 677 G HN 0.821 nan 8.290 nan 0.000 0.547 678 N N 0.208 118.945 118.700 0.061 0.000 2.104 678 N HA -0.161 4.573 4.740 -0.010 0.000 0.190 678 N C 2.210 177.732 175.510 0.020 0.000 1.024 678 N CA 1.379 54.468 53.050 0.065 0.000 0.853 678 N CB -0.365 38.110 38.487 -0.019 0.000 1.008 678 N HN 0.345 nan 8.380 nan 0.000 0.424 679 M N 0.802 120.346 119.600 -0.093 0.000 2.175 679 M HA -0.026 4.448 4.480 -0.010 0.000 0.264 679 M C 2.005 178.263 176.300 -0.069 0.000 1.063 679 M CA 1.425 56.651 55.300 -0.125 0.000 1.119 679 M CB -0.108 32.426 32.600 -0.109 0.000 1.377 679 M HN 0.108 nan 8.290 nan 0.000 0.415 680 K N 0.123 120.414 120.400 -0.182 0.000 2.057 680 K HA -0.118 4.196 4.320 -0.010 0.000 0.207 680 K C 1.719 178.214 176.600 -0.176 0.000 1.049 680 K CA 1.413 57.532 56.287 -0.281 0.000 0.931 680 K CB -0.310 31.796 32.500 -0.656 0.000 0.714 680 K HN 0.151 nan 8.250 nan 0.000 0.440 681 F N 1.134 121.026 119.950 -0.098 0.000 2.134 681 F HA -0.124 4.397 4.527 -0.011 0.000 0.299 681 F C 2.568 178.351 175.800 -0.029 0.000 1.097 681 F CA 1.200 59.166 58.000 -0.057 0.000 1.264 681 F CB -0.304 38.650 39.000 -0.076 0.000 1.001 681 F HN 0.000 nan 8.300 nan 0.000 0.479 682 M N -0.466 119.227 119.600 0.155 0.000 2.117 682 M HA -0.192 4.282 4.480 -0.010 0.000 0.262 682 M C 2.080 178.440 176.300 0.101 0.000 1.065 682 M CA 1.590 56.953 55.300 0.105 0.000 1.114 682 M CB -0.239 32.414 32.600 0.089 0.000 1.361 682 M HN 0.259 nan 8.290 nan 0.000 0.408 683 L N 0.772 122.052 121.223 0.096 0.000 2.291 683 L HA -0.061 4.273 4.340 -0.010 0.000 0.214 683 L C 1.262 178.183 176.870 0.085 0.000 1.120 683 L CA 1.519 56.421 54.840 0.104 0.000 0.799 683 L CB -0.553 41.579 42.059 0.122 0.000 0.925 683 L HN 0.345 nan 8.230 nan 0.000 0.446 684 N N -0.115 118.627 118.700 0.071 0.000 2.251 684 N HA 0.164 4.898 4.740 -0.010 0.000 0.217 684 N C 0.859 176.411 175.510 0.070 0.000 1.124 684 N CA 0.776 53.861 53.050 0.058 0.000 0.843 684 N CB 0.521 39.021 38.487 0.022 0.000 1.024 684 N HN 0.403 nan 8.380 nan 0.000 0.501 685 G N 0.534 109.379 108.800 0.076 0.000 2.149 685 G HA2 -0.208 3.746 3.960 -0.010 0.000 0.235 685 G HA3 -0.208 3.746 3.960 -0.010 0.000 0.235 685 G C -0.008 174.966 174.900 0.123 0.000 1.018 685 G CA 0.189 45.335 45.100 0.077 0.000 0.728 685 G HN 0.527 nan 8.290 nan 0.000 0.508 686 A N -0.403 122.500 122.820 0.139 0.000 2.325 686 A HA 0.891 5.205 4.320 -0.010 0.000 0.333 686 A C 0.321 177.922 177.584 0.028 0.000 1.155 686 A CA -0.660 51.479 52.037 0.170 0.000 0.814 686 A CB 1.132 20.292 19.000 0.267 0.000 1.206 686 A HN 0.688 nan 8.150 nan 0.000 0.482 687 L N 0.725 121.930 121.223 -0.030 0.000 2.399 687 L HA 0.472 4.806 4.340 -0.010 0.000 0.265 687 L C 0.132 176.883 176.870 -0.198 0.000 1.089 687 L CA -0.378 54.339 54.840 -0.205 0.000 0.802 687 L CB 1.654 43.502 42.059 -0.351 0.000 1.180 687 L HN 0.700 nan 8.230 nan 0.000 0.454 688 T N 2.714 117.018 114.554 -0.416 0.000 2.779 688 T HA 0.456 4.800 4.350 -0.010 0.000 0.280 688 T C -0.426 174.127 174.700 -0.245 0.000 0.987 688 T CA -0.253 61.575 62.100 -0.453 0.000 0.966 688 T CB 1.501 69.901 68.868 -0.779 0.000 0.933 688 T HN 0.352 nan 8.240 nan 0.000 0.442 689 I N 3.042 123.568 120.570 -0.073 0.000 2.339 689 I HA 0.719 4.883 4.170 -0.010 0.000 0.290 689 I C 0.093 176.341 176.117 0.219 0.000 0.994 689 I CA 0.074 61.445 61.300 0.118 0.000 1.191 689 I CB 0.292 38.292 38.000 0.001 0.000 1.343 689 I HN 0.784 nan 8.210 nan 0.000 0.458 690 G N 3.993 113.001 108.800 0.348 0.000 2.608 690 G HA2 0.470 4.424 3.960 -0.010 0.000 0.291 690 G HA3 0.470 4.424 3.960 -0.010 0.000 0.291 690 G C -0.950 173.905 174.900 -0.075 0.000 1.425 690 G CA -0.404 44.831 45.100 0.224 0.000 0.787 690 G HN 0.566 nan 8.290 nan 0.000 0.484 691 T N -1.514 112.872 114.554 -0.279 0.000 2.902 691 T HA 0.532 4.877 4.350 -0.010 0.000 0.280 691 T C 0.663 175.257 174.700 -0.177 0.000 0.992 691 T CA -0.718 61.125 62.100 -0.428 0.000 1.015 691 T CB 1.234 69.860 68.868 -0.404 0.000 1.044 691 T HN 0.255 nan 8.240 nan 0.000 0.520 692 M N 2.900 122.404 119.600 -0.161 0.000 3.436 692 M HA 0.322 4.796 4.480 -0.010 0.000 0.240 692 M C -0.478 175.774 176.300 -0.079 0.000 1.469 692 M CA -0.049 55.194 55.300 -0.095 0.000 1.622 692 M CB -1.678 30.872 32.600 -0.083 0.000 1.098 692 M HN 0.733 nan 8.290 nan 0.000 0.568 693 D N 0.047 120.408 120.400 -0.065 0.000 2.671 693 D HA 0.674 5.308 4.640 -0.010 0.000 0.232 693 D C 0.710 176.993 176.300 -0.028 0.000 1.114 693 D CA 0.674 54.648 54.000 -0.044 0.000 0.858 693 D CB 1.765 42.539 40.800 -0.043 0.000 1.544 693 D HN 0.606 nan 8.370 nan 0.000 0.471 694 G N 1.689 110.480 108.800 -0.015 0.000 2.627 694 G HA2 -0.260 3.694 3.960 -0.010 0.000 0.312 694 G HA3 -0.260 3.694 3.960 -0.010 0.000 0.312 694 G C 1.059 175.956 174.900 -0.004 0.000 1.299 694 G CA 1.145 46.241 45.100 -0.006 0.000 0.989 694 G HN 1.063 nan 8.290 nan 0.000 0.547 695 A N -0.395 122.421 122.820 -0.008 0.000 2.168 695 A HA 0.051 4.365 4.320 -0.010 0.000 0.215 695 A C 2.130 179.661 177.584 -0.088 0.000 1.152 695 A CA 1.934 53.963 52.037 -0.013 0.000 0.716 695 A CB -0.473 18.514 19.000 -0.022 0.000 0.794 695 A HN 0.626 nan 8.150 nan 0.000 0.465 696 N N 0.459 119.116 118.700 -0.071 0.000 2.137 696 N HA -0.150 4.584 4.740 -0.010 0.000 0.190 696 N C 1.596 177.003 175.510 -0.172 0.000 1.017 696 N CA 1.586 54.595 53.050 -0.069 0.000 0.859 696 N CB -0.600 37.896 38.487 0.015 0.000 1.002 696 N HN 0.295 nan 8.380 nan 0.000 0.428 697 V N 1.300 121.148 119.914 -0.110 0.000 2.287 697 V HA -0.216 3.898 4.120 -0.010 0.000 0.248 697 V C 1.971 177.996 176.094 -0.116 0.000 1.053 697 V CA 1.697 63.928 62.300 -0.115 0.000 1.027 697 V CB -0.487 31.301 31.823 -0.060 0.000 0.646 697 V HN 0.358 nan 8.190 nan 0.000 0.447 698 E N -0.606 119.579 120.200 -0.026 0.000 2.152 698 E HA -0.138 4.206 4.350 -0.010 0.000 0.192 698 E C 2.212 178.904 176.600 0.153 0.000 0.983 698 E CA 1.065 57.521 56.400 0.093 0.000 0.818 698 E CB -0.184 29.660 29.700 0.241 0.000 0.758 698 E HN 0.546 nan 8.360 nan 0.000 0.467 699 M N 0.476 120.041 119.600 -0.057 0.000 2.086 699 M HA -0.135 4.339 4.480 -0.010 0.000 0.261 699 M C 2.499 178.501 176.300 -0.495 0.000 1.067 699 M CA 1.535 56.705 55.300 -0.217 0.000 1.116 699 M CB -0.186 32.172 32.600 -0.402 0.000 1.348 699 M HN 0.134 nan 8.290 nan 0.000 0.407 700 A N -0.183 122.077 122.820 -0.933 0.000 1.933 700 A HA -0.208 4.106 4.320 -0.010 0.000 0.218 700 A C 1.992 179.350 177.584 -0.377 0.000 1.175 700 A CA 1.888 53.323 52.037 -1.004 0.000 0.628 700 A CB -0.777 17.722 19.000 -0.834 0.000 0.814 700 A HN 0.581 nan 8.150 nan 0.000 0.444 701 E N -0.436 119.626 120.200 -0.231 0.000 2.110 701 E HA -0.203 4.141 4.350 -0.010 0.000 0.193 701 E C 1.759 178.321 176.600 -0.063 0.000 0.988 701 E CA 1.194 57.529 56.400 -0.109 0.000 0.804 701 E CB -0.039 29.622 29.700 -0.066 0.000 0.745 701 E HN 0.555 nan 8.360 nan 0.000 0.458 702 E N 0.018 120.204 120.200 -0.022 0.000 2.072 702 E HA -0.106 4.238 4.350 -0.010 0.000 0.190 702 E C 1.831 178.443 176.600 0.020 0.000 0.982 702 E CA 1.081 57.495 56.400 0.023 0.000 0.803 702 E CB -0.120 29.652 29.700 0.121 0.000 0.755 702 E HN 0.339 nan 8.360 nan 0.000 0.453 703 A N 0.385 123.213 122.820 0.012 0.000 2.081 703 A HA 0.341 4.655 4.320 -0.010 0.000 0.214 703 A C 1.038 178.627 177.584 0.008 0.000 1.158 703 A CA 1.100 53.162 52.037 0.042 0.000 0.724 703 A CB 0.059 19.136 19.000 0.129 0.000 0.826 703 A HN 0.249 nan 8.150 nan 0.000 0.463 704 G N -0.534 108.243 108.800 -0.039 0.000 3.067 704 G HA2 -0.072 3.882 3.960 -0.010 0.000 0.686 704 G HA3 -0.072 3.882 3.960 -0.010 0.000 0.686 704 G C -0.048 174.827 174.900 -0.042 0.000 1.119 704 G CA -0.021 45.055 45.100 -0.040 0.000 0.790 704 G HN 0.232 nan 8.290 nan 0.000 0.605 705 E N 0.952 121.119 120.200 -0.055 0.000 2.209 705 E HA -0.183 4.161 4.350 -0.010 0.000 0.196 705 E C 1.972 178.561 176.600 -0.020 0.000 0.993 705 E CA 1.769 58.148 56.400 -0.035 0.000 0.819 705 E CB 0.078 29.757 29.700 -0.035 0.000 0.745 705 E HN 0.765 nan 8.360 nan 0.000 0.477 706 E N 0.705 120.880 120.200 -0.041 0.000 2.338 706 E HA -0.082 4.263 4.350 -0.010 0.000 0.197 706 E C 0.964 177.480 176.600 -0.140 0.000 1.007 706 E CA 0.598 56.952 56.400 -0.076 0.000 0.849 706 E CB -0.017 29.649 29.700 -0.056 0.000 0.774 706 E HN 0.166 nan 8.360 nan 0.000 0.506 707 N N -0.352 118.294 118.700 -0.090 0.000 2.251 707 N HA 0.138 4.873 4.740 -0.010 0.000 0.217 707 N C -0.915 174.524 175.510 -0.118 0.000 1.124 707 N CA 0.085 53.056 53.050 -0.132 0.000 0.843 707 N CB 0.390 38.855 38.487 -0.037 0.000 1.024 707 N HN 0.046 nan 8.380 nan 0.000 0.501 708 F N -0.434 119.301 119.950 -0.360 0.000 2.588 708 F HA 0.422 4.943 4.527 -0.011 0.000 0.314 708 F C -0.694 174.875 175.800 -0.385 0.000 1.069 708 F CA -1.185 56.638 58.000 -0.296 0.000 0.931 708 F CB 1.303 40.226 39.000 -0.129 0.000 1.260 708 F HN -0.225 nan 8.300 nan 0.000 0.465 709 F N 4.985 124.919 119.950 -0.027 0.000 2.344 709 F HA 0.372 4.893 4.527 -0.010 0.000 0.344 709 F C -0.291 175.624 175.800 0.192 0.000 1.140 709 F CA -0.594 57.433 58.000 0.045 0.000 1.256 709 F CB -0.110 38.862 39.000 -0.046 0.000 1.573 709 F HN -0.014 nan 8.300 nan 0.000 0.547 710 I N 3.597 124.369 120.570 0.337 0.000 2.440 710 I HA 0.354 4.518 4.170 -0.010 0.000 0.294 710 I C -0.036 176.267 176.117 0.310 0.000 0.995 710 I CA -0.619 60.847 61.300 0.277 0.000 1.306 710 I CB 0.622 38.714 38.000 0.153 0.000 1.407 710 I HN 0.330 nan 8.210 nan 0.000 0.501 711 F N 2.360 122.375 119.950 0.109 0.000 2.745 711 F HA 0.849 5.370 4.527 -0.010 0.000 0.316 711 F C 0.014 175.855 175.800 0.068 0.000 1.155 711 F CA -0.516 57.538 58.000 0.090 0.000 0.937 711 F CB 0.993 40.057 39.000 0.108 0.000 1.361 711 F HN 0.808 nan 8.300 nan 0.000 0.472 712 G N 0.864 109.698 108.800 0.057 0.000 2.828 712 G HA2 -0.087 3.867 3.960 -0.010 0.000 0.463 712 G HA3 -0.087 3.867 3.960 -0.010 0.000 0.463 712 G C -0.807 174.050 174.900 -0.072 0.000 1.394 712 G CA -0.540 44.523 45.100 -0.061 0.000 0.862 712 G HN 0.951 nan 8.290 nan 0.000 0.540 713 M N 0.627 120.200 119.600 -0.044 0.000 2.252 713 M HA 0.275 4.750 4.480 -0.010 0.000 0.333 713 M C 1.169 177.432 176.300 -0.062 0.000 1.111 713 M CA 0.076 55.361 55.300 -0.025 0.000 1.140 713 M CB 0.312 32.907 32.600 -0.007 0.000 1.538 713 M HN 0.530 nan 8.290 nan 0.000 0.448 714 R N 1.232 121.710 120.500 -0.036 0.000 2.608 714 R HA 0.332 4.666 4.340 -0.010 0.000 0.255 714 R C 1.188 177.469 176.300 -0.032 0.000 1.086 714 R CA -0.641 55.433 56.100 -0.043 0.000 1.125 714 R CB 0.146 30.429 30.300 -0.028 0.000 1.193 714 R HN 0.568 nan 8.270 nan 0.000 0.553 715 V N 1.548 121.442 119.914 -0.033 0.000 2.324 715 V HA -0.280 3.834 4.120 -0.010 0.000 0.250 715 V C 1.835 177.918 176.094 -0.018 0.000 1.060 715 V CA 2.050 64.334 62.300 -0.027 0.000 1.042 715 V CB -0.440 31.366 31.823 -0.029 0.000 0.650 715 V HN 0.623 nan 8.190 nan 0.000 0.450 716 E N 0.189 120.380 120.200 -0.015 0.000 2.085 716 E HA -0.197 4.147 4.350 -0.010 0.000 0.194 716 E C 1.965 178.568 176.600 0.005 0.000 0.994 716 E CA 1.466 57.862 56.400 -0.006 0.000 0.801 716 E CB -0.433 29.265 29.700 -0.004 0.000 0.743 716 E HN 0.621 nan 8.360 nan 0.000 0.453 717 D N -0.158 120.246 120.400 0.007 0.000 2.144 717 D HA -0.105 4.529 4.640 -0.010 0.000 0.199 717 D C 1.971 178.285 176.300 0.024 0.000 0.984 717 D CA 0.872 54.887 54.000 0.024 0.000 0.834 717 D CB -0.101 40.715 40.800 0.027 0.000 0.955 717 D HN 0.070 nan 8.370 nan 0.000 0.465 718 V N 1.825 121.741 119.914 0.003 0.000 2.358 718 V HA -0.197 3.917 4.120 -0.010 0.000 0.246 718 V C 1.966 178.060 176.094 0.000 0.000 1.047 718 V CA 1.605 63.899 62.300 -0.009 0.000 1.035 718 V CB -0.376 31.432 31.823 -0.026 0.000 0.658 718 V HN 0.041 nan 8.190 nan 0.000 0.452 719 D N -0.077 120.324 120.400 0.001 0.000 2.117 719 D HA -0.151 4.483 4.640 -0.010 0.000 0.197 719 D C 2.394 178.706 176.300 0.020 0.000 0.987 719 D CA 1.210 55.212 54.000 0.004 0.000 0.829 719 D CB -0.243 40.556 40.800 -0.002 0.000 0.961 719 D HN 0.330 nan 8.370 nan 0.000 0.460 720 R N 0.171 120.687 120.500 0.027 0.000 2.091 720 R HA -0.038 4.296 4.340 -0.010 0.000 0.238 720 R C 2.504 178.840 176.300 0.060 0.000 1.136 720 R CA 0.545 56.669 56.100 0.040 0.000 0.959 720 R CB -0.369 29.957 30.300 0.043 0.000 0.856 720 R HN 0.191 nan 8.270 nan 0.000 0.437 721 L N 0.593 121.861 121.223 0.074 0.000 2.083 721 L HA -0.209 4.126 4.340 -0.010 0.000 0.209 721 L C 1.414 178.350 176.870 0.111 0.000 1.083 721 L CA 1.353 56.264 54.840 0.118 0.000 0.752 721 L CB -0.246 41.897 42.059 0.140 0.000 0.899 721 L HN 0.256 nan 8.230 nan 0.000 0.433 722 D N -0.703 119.736 120.400 0.065 0.000 2.149 722 D HA -0.174 4.460 4.640 -0.010 0.000 0.201 722 D C 2.178 178.510 176.300 0.053 0.000 0.972 722 D CA 0.913 54.946 54.000 0.054 0.000 0.835 722 D CB 0.029 40.840 40.800 0.019 0.000 0.966 722 D HN 0.450 nan 8.370 nan 0.000 0.476 723 Q N 0.371 120.197 119.800 0.045 0.000 2.002 723 Q HA -0.130 4.204 4.340 -0.010 0.000 0.204 723 Q C 2.337 178.365 176.000 0.047 0.000 0.988 723 Q CA 1.018 56.844 55.803 0.038 0.000 0.843 723 Q CB -0.061 28.696 28.738 0.032 0.000 0.908 723 Q HN 0.132 nan 8.270 nan 0.000 0.420 724 R N 0.069 120.604 120.500 0.059 0.000 2.081 724 R HA -0.075 4.259 4.340 -0.010 0.000 0.235 724 R C -0.030 176.314 176.300 0.072 0.000 1.131 724 R CA 1.220 57.357 56.100 0.063 0.000 0.960 724 R CB -0.078 30.266 30.300 0.073 0.000 0.856 724 R HN 0.374 nan 8.270 nan 0.000 0.436 725 G N -0.224 108.635 108.800 0.099 0.000 3.367 725 G HA2 -0.240 3.714 3.960 -0.010 0.000 0.686 725 G HA3 -0.240 3.714 3.960 -0.010 0.000 0.686 725 G C -1.342 173.661 174.900 0.172 0.000 1.146 725 G CA -0.348 44.820 45.100 0.114 0.000 0.913 725 G HN 0.307 nan 8.290 nan 0.000 0.554 726 Y N 3.770 124.110 120.300 0.066 0.000 2.436 726 Y HA 0.547 5.091 4.550 -0.010 0.000 0.336 726 Y C 0.373 176.340 175.900 0.112 0.000 1.049 726 Y CA -0.813 57.347 58.100 0.099 0.000 1.294 726 Y CB 0.921 39.418 38.460 0.061 0.000 1.179 726 Y HN 0.561 nan 8.280 nan 0.000 0.520 727 N N 5.268 123.771 118.700 -0.329 0.000 2.626 727 N HA 0.263 4.997 4.740 -0.010 0.000 0.249 727 N C 0.176 175.470 175.510 -0.359 0.000 1.021 727 N CA 0.348 53.220 53.050 -0.296 0.000 0.886 727 N CB 1.493 39.927 38.487 -0.088 0.000 1.149 727 N HN 0.882 nan 8.380 nan 0.000 0.517 728 A N 2.897 125.393 122.820 -0.540 0.000 1.978 728 A HA -0.223 4.091 4.320 -0.010 0.000 0.220 728 A C 1.932 179.659 177.584 0.238 0.000 1.170 728 A CA 1.465 53.424 52.037 -0.130 0.000 0.636 728 A CB -0.323 18.536 19.000 -0.234 0.000 0.810 728 A HN 0.734 nan 8.150 nan 0.000 0.448 729 Q N 0.250 120.088 119.800 0.064 0.000 2.152 729 Q HA -0.243 4.091 4.340 -0.010 0.000 0.206 729 Q C 1.885 177.966 176.000 0.134 0.000 0.985 729 Q CA 2.365 58.216 55.803 0.079 0.000 0.863 729 Q CB -0.371 28.370 28.738 0.006 0.000 0.904 729 Q HN 0.785 nan 8.270 nan 0.000 0.422 730 E N -1.382 118.849 120.200 0.050 0.000 2.038 730 E HA -0.247 4.097 4.350 -0.010 0.000 0.195 730 E C 1.646 178.201 176.600 -0.076 0.000 1.000 730 E CA 1.568 57.928 56.400 -0.066 0.000 0.803 730 E CB -0.277 29.290 29.700 -0.222 0.000 0.750 730 E HN 0.592 nan 8.360 nan 0.000 0.448 731 Y N -1.038 119.328 120.300 0.110 0.000 2.224 731 Y HA -0.217 4.327 4.550 -0.010 0.000 0.289 731 Y C 2.241 178.137 175.900 -0.006 0.000 1.146 731 Y CA 1.546 59.694 58.100 0.081 0.000 1.182 731 Y CB -0.687 37.867 38.460 0.157 0.000 0.983 731 Y HN 0.266 nan 8.280 nan 0.000 0.524 732 Y N 1.254 121.582 120.300 0.046 0.000 2.181 732 Y HA -0.246 4.298 4.550 -0.010 0.000 0.288 732 Y C 1.820 177.687 175.900 -0.054 0.000 1.146 732 Y CA 1.759 59.810 58.100 -0.082 0.000 1.164 732 Y CB -0.389 38.078 38.460 0.011 0.000 0.982 732 Y HN 0.086 nan 8.280 nan 0.000 0.515 733 D N -0.210 120.319 120.400 0.215 0.000 2.183 733 D HA -0.088 4.546 4.640 -0.010 0.000 0.203 733 D C 1.674 177.969 176.300 -0.010 0.000 0.969 733 D CA 1.121 55.185 54.000 0.107 0.000 0.842 733 D CB -0.087 40.776 40.800 0.105 0.000 0.957 733 D HN 0.503 nan 8.370 nan 0.000 0.484 734 R N -0.047 120.438 120.500 -0.024 0.000 2.362 734 R HA 0.293 4.627 4.340 -0.010 0.000 0.227 734 R C 0.386 176.666 176.300 -0.034 0.000 0.905 734 R CA 0.050 56.130 56.100 -0.034 0.000 1.067 734 R CB 1.147 31.423 30.300 -0.040 0.000 1.078 734 R HN 0.130 nan 8.270 nan 0.000 0.516 735 I N 1.987 122.516 120.570 -0.069 0.000 2.495 735 I HA 0.225 4.390 4.170 -0.010 0.000 0.277 735 I C -1.969 174.056 176.117 -0.154 0.000 1.045 735 I CA -2.349 58.912 61.300 -0.066 0.000 1.135 735 I CB 2.172 40.160 38.000 -0.021 0.000 1.241 735 I HN -0.302 nan 8.210 nan 0.000 0.469 736 P HA -0.214 nan 4.420 nan 0.000 0.216 736 P C 1.211 178.415 177.300 -0.159 0.000 1.157 736 P CA 1.586 64.600 63.100 -0.144 0.000 0.880 736 P CB 0.303 31.952 31.700 -0.086 0.000 0.791 737 E N -1.185 118.958 120.200 -0.095 0.000 2.110 737 E HA -0.178 4.166 4.350 -0.010 0.000 0.193 737 E C 1.897 178.394 176.600 -0.173 0.000 0.988 737 E CA 0.741 57.097 56.400 -0.073 0.000 0.804 737 E CB -0.619 29.108 29.700 0.045 0.000 0.745 737 E HN 0.115 nan 8.360 nan 0.000 0.458 738 L N 1.287 122.323 121.223 -0.311 0.000 2.056 738 L HA -0.134 4.200 4.340 -0.010 0.000 0.207 738 L C 2.354 178.929 176.870 -0.492 0.000 1.078 738 L CA 1.641 56.125 54.840 -0.595 0.000 0.749 738 L CB -0.321 41.236 42.059 -0.836 0.000 0.901 738 L HN -0.082 nan 8.230 nan 0.000 0.433 739 R N -0.735 119.447 120.500 -0.530 0.000 2.091 739 R HA -0.250 4.084 4.340 -0.010 0.000 0.238 739 R C 2.384 178.481 176.300 -0.339 0.000 1.136 739 R CA 1.985 57.666 56.100 -0.698 0.000 0.959 739 R CB -0.367 29.457 30.300 -0.793 0.000 0.856 739 R HN 0.648 nan 8.270 nan 0.000 0.437 740 Q N 0.493 120.147 119.800 -0.244 0.000 2.096 740 Q HA -0.187 4.147 4.340 -0.010 0.000 0.204 740 Q C 2.033 177.965 176.000 -0.113 0.000 0.982 740 Q CA 2.000 57.711 55.803 -0.154 0.000 0.850 740 Q CB -0.136 28.518 28.738 -0.139 0.000 0.901 740 Q HN 0.492 nan 8.270 nan 0.000 0.422 741 I N 0.568 121.068 120.570 -0.117 0.000 2.179 741 I HA -0.274 3.890 4.170 -0.010 0.000 0.242 741 I C 2.150 178.279 176.117 0.020 0.000 1.088 741 I CA 0.693 61.966 61.300 -0.045 0.000 1.357 741 I CB -0.339 37.614 38.000 -0.079 0.000 1.051 741 I HN 0.316 nan 8.210 nan 0.000 0.409 742 I N 0.909 121.488 120.570 0.015 0.000 2.286 742 I HA -0.244 3.920 4.170 -0.010 0.000 0.248 742 I C 2.423 178.634 176.117 0.157 0.000 1.115 742 I CA 1.685 63.068 61.300 0.139 0.000 1.392 742 I CB -1.246 36.925 38.000 0.284 0.000 1.065 742 I HN 0.368 nan 8.210 nan 0.000 0.418 743 E N 0.276 120.542 120.200 0.110 0.000 2.150 743 E HA -0.204 4.140 4.350 -0.010 0.000 0.193 743 E C 2.120 178.777 176.600 0.094 0.000 0.985 743 E CA 0.700 57.164 56.400 0.107 0.000 0.814 743 E CB -0.084 29.652 29.700 0.061 0.000 0.752 743 E HN 0.605 nan 8.360 nan 0.000 0.466 744 Q N 0.520 120.355 119.800 0.059 0.000 2.079 744 Q HA -0.096 4.238 4.340 -0.010 0.000 0.200 744 Q C 2.356 178.509 176.000 0.255 0.000 0.974 744 Q CA 0.902 56.739 55.803 0.056 0.000 0.840 744 Q CB -0.014 28.645 28.738 -0.132 0.000 0.898 744 Q HN 0.291 nan 8.270 nan 0.000 0.430 745 L N 0.013 121.410 121.223 0.290 0.000 2.017 745 L HA -0.190 4.144 4.340 -0.010 0.000 0.208 745 L C 2.455 179.509 176.870 0.305 0.000 1.073 745 L CA 0.985 56.029 54.840 0.340 0.000 0.745 745 L CB -0.372 41.810 42.059 0.205 0.000 0.894 745 L HN 0.143 nan 8.230 nan 0.000 0.432 746 S N -0.248 115.586 115.700 0.224 0.000 2.368 746 S HA -0.152 4.312 4.470 -0.010 0.000 0.225 746 S C 2.040 176.740 174.600 0.167 0.000 1.030 746 S CA 1.559 59.871 58.200 0.186 0.000 0.999 746 S CB -0.237 63.056 63.200 0.155 0.000 0.844 746 S HN 0.604 nan 8.310 nan 0.000 0.459 747 S N 0.383 116.180 115.700 0.163 0.000 2.561 747 S HA 0.323 4.788 4.470 -0.010 0.000 0.225 747 S C 1.408 176.094 174.600 0.144 0.000 0.977 747 S CA 0.634 58.916 58.200 0.137 0.000 0.926 747 S CB -0.109 63.164 63.200 0.122 0.000 0.769 747 S HN 0.806 nan 8.310 nan 0.000 0.533 748 G N 0.713 109.629 108.800 0.193 0.000 2.132 748 G HA2 -0.298 3.656 3.960 -0.010 0.000 0.234 748 G HA3 -0.298 3.656 3.960 -0.010 0.000 0.234 748 G C 0.174 175.162 174.900 0.146 0.000 0.989 748 G CA 0.122 45.327 45.100 0.174 0.000 0.676 748 G HN 0.539 nan 8.290 nan 0.000 0.522 749 F N 0.235 120.178 119.950 -0.012 0.000 2.202 749 F HA 0.211 4.732 4.527 -0.010 0.000 0.301 749 F C 1.791 177.387 175.800 -0.341 0.000 1.082 749 F CA 1.807 59.676 58.000 -0.218 0.000 1.313 749 F CB -0.045 38.737 39.000 -0.364 0.000 1.024 749 F HN 0.166 nan 8.300 nan 0.000 0.495 750 F N -0.307 119.806 119.950 0.272 0.000 2.664 750 F HA 0.222 4.743 4.527 -0.010 0.000 0.303 750 F C 0.597 176.515 175.800 0.197 0.000 1.092 750 F CA 0.208 58.319 58.000 0.185 0.000 1.305 750 F CB -0.118 38.994 39.000 0.187 0.000 1.054 750 F HN -0.018 nan 8.300 nan 0.000 0.565 751 S N -1.966 113.889 115.700 0.258 0.000 2.564 751 S HA 0.320 4.784 4.470 -0.010 0.000 0.141 751 S C -2.498 172.127 174.600 0.042 0.000 1.474 751 S CA -1.008 57.273 58.200 0.135 0.000 1.236 751 S CB 0.975 64.218 63.200 0.072 0.000 1.481 751 S HN -0.186 nan 8.310 nan 0.000 0.397 752 P HA -0.127 nan 4.420 nan 0.000 0.214 752 P C 1.194 178.484 177.300 -0.017 0.000 1.163 752 P CA 1.454 64.533 63.100 -0.035 0.000 0.889 752 P CB 0.089 31.744 31.700 -0.074 0.000 0.790 753 K N -1.101 119.291 120.400 -0.014 0.000 2.288 753 K HA -0.041 4.273 4.320 -0.010 0.000 0.201 753 K C 0.662 177.260 176.600 -0.004 0.000 1.048 753 K CA 0.872 57.154 56.287 -0.008 0.000 0.956 753 K CB -0.062 32.435 32.500 -0.005 0.000 0.746 753 K HN 0.337 nan 8.250 nan 0.000 0.461 754 Q N -0.231 119.566 119.800 -0.006 0.000 3.064 754 Q HA 0.151 4.485 4.340 -0.010 0.000 0.258 754 Q C -2.364 173.628 176.000 -0.012 0.000 0.972 754 Q CA -1.612 54.182 55.803 -0.014 0.000 0.761 754 Q CB 1.585 30.305 28.738 -0.029 0.000 1.281 754 Q HN -0.090 nan 8.270 nan 0.000 0.455 755 P HA -0.233 nan 4.420 nan 0.000 0.217 755 P C 0.565 177.900 177.300 0.058 0.000 1.151 755 P CA 1.542 64.668 63.100 0.044 0.000 0.849 755 P CB 0.205 31.930 31.700 0.040 0.000 0.787 756 D N -1.588 118.831 120.400 0.032 0.000 2.388 756 D HA 0.006 4.640 4.640 -0.010 0.000 0.221 756 D C 1.510 177.809 176.300 -0.001 0.000 1.133 756 D CA -0.304 53.723 54.000 0.045 0.000 0.831 756 D CB -0.784 40.044 40.800 0.047 0.000 0.962 756 D HN 0.021 nan 8.370 nan 0.000 0.502 757 L N -0.104 121.054 121.223 -0.108 0.000 2.043 757 L HA -0.054 4.280 4.340 -0.010 0.000 0.212 757 L C 1.040 177.684 176.870 -0.378 0.000 1.075 757 L CA 1.704 56.359 54.840 -0.308 0.000 0.752 757 L CB -0.616 41.082 42.059 -0.603 0.000 0.891 757 L HN 0.005 nan 8.230 nan 0.000 0.432 758 F N -0.372 119.635 119.950 0.094 0.000 2.730 758 F HA 0.148 4.670 4.527 -0.010 0.000 0.295 758 F C 1.834 177.686 175.800 0.086 0.000 1.143 758 F CA -0.146 57.898 58.000 0.074 0.000 1.367 758 F CB -0.377 38.655 39.000 0.052 0.000 0.970 758 F HN 0.115 nan 8.300 nan 0.000 0.514 759 K N -0.300 120.216 120.400 0.193 0.000 2.103 759 K HA -0.189 4.126 4.320 -0.010 0.000 0.207 759 K C 0.950 177.654 176.600 0.174 0.000 1.048 759 K CA 1.994 58.381 56.287 0.167 0.000 0.930 759 K CB -0.284 32.291 32.500 0.125 0.000 0.716 759 K HN 0.108 nan 8.250 nan 0.000 0.444 760 D N 1.313 121.828 120.400 0.192 0.000 2.144 760 D HA -0.100 4.534 4.640 -0.010 0.000 0.199 760 D C 2.093 178.493 176.300 0.166 0.000 0.984 760 D CA 1.166 55.291 54.000 0.208 0.000 0.834 760 D CB -0.137 40.829 40.800 0.277 0.000 0.955 760 D HN 0.334 nan 8.370 nan 0.000 0.465 761 I N 0.544 121.210 120.570 0.161 0.000 2.202 761 I HA -0.211 3.953 4.170 -0.010 0.000 0.242 761 I C 2.479 178.624 176.117 0.048 0.000 1.091 761 I CA 0.603 61.956 61.300 0.089 0.000 1.368 761 I CB -0.193 37.862 38.000 0.093 0.000 1.058 761 I HN -0.124 nan 8.210 nan 0.000 0.410 762 V N 0.978 120.949 119.914 0.096 0.000 2.295 762 V HA -0.326 3.789 4.120 -0.010 0.000 0.246 762 V C 2.174 178.272 176.094 0.008 0.000 1.049 762 V CA 2.458 64.801 62.300 0.072 0.000 1.024 762 V CB -0.999 30.896 31.823 0.119 0.000 0.648 762 V HN 0.517 nan 8.190 nan 0.000 0.447 763 N N -0.566 118.176 118.700 0.071 0.000 2.104 763 N HA -0.249 4.485 4.740 -0.010 0.000 0.190 763 N C 2.019 177.539 175.510 0.017 0.000 1.024 763 N CA 1.591 54.717 53.050 0.128 0.000 0.853 763 N CB -0.134 38.495 38.487 0.236 0.000 1.008 763 N HN 0.339 nan 8.380 nan 0.000 0.424 764 M N 0.515 120.050 119.600 -0.109 0.000 2.086 764 M HA -0.130 4.344 4.480 -0.010 0.000 0.261 764 M C 1.661 177.720 176.300 -0.403 0.000 1.067 764 M CA 1.280 56.263 55.300 -0.528 0.000 1.116 764 M CB -0.625 31.756 32.600 -0.365 0.000 1.348 764 M HN 0.223 nan 8.290 nan 0.000 0.407 765 L N 0.662 121.709 121.223 -0.292 0.000 2.042 765 L HA -0.218 4.116 4.340 -0.010 0.000 0.210 765 L C 2.452 179.000 176.870 -0.536 0.000 1.076 765 L CA 1.637 56.214 54.840 -0.438 0.000 0.749 765 L CB -1.264 40.573 42.059 -0.370 0.000 0.893 765 L HN 0.357 nan 8.230 nan 0.000 0.432 766 M N -1.858 117.494 119.600 -0.412 0.000 2.236 766 M HA -0.070 4.404 4.480 -0.010 0.000 0.266 766 M C 1.934 177.873 176.300 -0.603 0.000 1.070 766 M CA 1.408 56.389 55.300 -0.530 0.000 1.137 766 M CB -0.802 31.369 32.600 -0.715 0.000 1.378 766 M HN 0.334 nan 8.290 nan 0.000 0.426 767 H N -1.791 117.263 119.070 -0.027 0.000 2.800 767 H HA 0.212 4.763 4.556 -0.010 0.000 0.257 767 H C 0.485 175.897 175.328 0.140 0.000 0.967 767 H CA 0.622 56.706 56.048 0.060 0.000 1.192 767 H CB 0.401 30.235 29.762 0.121 0.000 1.441 767 H HN 0.463 nan 8.280 nan 0.000 0.461 768 H N -0.377 118.748 119.070 0.093 0.000 2.616 768 H HA 0.255 4.805 4.556 -0.010 0.000 0.229 768 H C -1.260 174.088 175.328 0.033 0.000 1.418 768 H CA -0.487 55.604 56.048 0.071 0.000 1.248 768 H CB 0.081 29.888 29.762 0.074 0.000 1.822 768 H HN -0.026 nan 8.280 nan 0.000 0.522 769 D N 1.831 122.203 120.400 -0.047 0.000 2.411 769 D HA 0.161 4.795 4.640 -0.010 0.000 0.225 769 D C 0.988 177.198 176.300 -0.150 0.000 1.156 769 D CA -0.483 53.457 54.000 -0.100 0.000 0.874 769 D CB 0.813 41.554 40.800 -0.099 0.000 1.034 769 D HN 0.393 nan 8.370 nan 0.000 0.502 770 R N 2.296 122.605 120.500 -0.318 0.000 2.237 770 R HA -0.039 4.295 4.340 -0.010 0.000 0.219 770 R C 0.683 176.461 176.300 -0.870 0.000 1.080 770 R CA 0.887 56.611 56.100 -0.627 0.000 0.995 770 R CB 0.081 29.829 30.300 -0.919 0.000 0.875 770 R HN 0.407 nan 8.270 nan 0.000 0.462 771 F N 0.647 120.543 119.950 -0.089 0.000 2.664 771 F HA 0.234 4.755 4.527 -0.010 0.000 0.303 771 F C 0.091 175.757 175.800 -0.224 0.000 1.092 771 F CA -0.610 57.323 58.000 -0.112 0.000 1.305 771 F CB 0.044 39.033 39.000 -0.019 0.000 1.054 771 F HN -0.239 nan 8.300 nan 0.000 0.565 772 K N -0.332 119.863 120.400 -0.342 0.000 3.451 772 K HA -0.182 4.132 4.320 -0.010 0.000 0.273 772 K C 0.946 177.420 176.600 -0.210 0.000 0.944 772 K CA 0.188 56.104 56.287 -0.618 0.000 0.734 772 K CB -1.878 30.094 32.500 -0.880 0.000 1.437 772 K HN 0.195 nan 8.250 nan 0.000 0.454 773 V N 0.160 120.027 119.914 -0.078 0.000 2.287 773 V HA -0.291 3.823 4.120 -0.010 0.000 0.248 773 V C 1.999 178.225 176.094 0.220 0.000 1.053 773 V CA 2.281 64.612 62.300 0.052 0.000 1.027 773 V CB -0.527 31.320 31.823 0.039 0.000 0.646 773 V HN 0.538 nan 8.190 nan 0.000 0.447 774 F N 0.292 120.241 119.950 -0.002 0.000 2.171 774 F HA -0.209 4.312 4.527 -0.010 0.000 0.300 774 F C 2.561 178.155 175.800 -0.343 0.000 1.090 774 F CA 0.702 58.646 58.000 -0.094 0.000 1.293 774 F CB -0.430 38.522 39.000 -0.079 0.000 1.013 774 F HN 0.205 nan 8.300 nan 0.000 0.486 775 A N -0.441 122.203 122.820 -0.292 0.000 2.024 775 A HA -0.211 4.103 4.320 -0.010 0.000 0.220 775 A C 1.475 179.057 177.584 -0.002 0.000 1.164 775 A CA 1.992 53.788 52.037 -0.401 0.000 0.643 775 A CB -0.484 18.418 19.000 -0.163 0.000 0.806 775 A HN 0.259 nan 8.150 nan 0.000 0.451 776 D N -2.932 117.525 120.400 0.094 0.000 2.369 776 D HA 0.089 4.723 4.640 -0.010 0.000 0.211 776 D C 1.157 177.628 176.300 0.285 0.000 1.077 776 D CA -0.045 54.085 54.000 0.216 0.000 0.842 776 D CB -0.109 40.828 40.800 0.229 0.000 0.947 776 D HN 0.591 nan 8.370 nan 0.000 0.509 777 Y N 2.048 122.435 120.300 0.145 0.000 2.097 777 Y HA -0.229 4.315 4.550 -0.009 0.000 0.282 777 Y C 2.154 178.141 175.900 0.146 0.000 1.152 777 Y CA 1.923 60.118 58.100 0.159 0.000 1.136 777 Y CB 0.185 38.705 38.460 0.101 0.000 0.975 777 Y HN -0.103 nan 8.280 nan 0.000 0.498 778 E N -0.104 120.171 120.200 0.125 0.000 2.051 778 E HA -0.255 4.089 4.350 -0.010 0.000 0.192 778 E C 2.228 178.801 176.600 -0.045 0.000 0.991 778 E CA 1.469 57.864 56.400 -0.008 0.000 0.799 778 E CB -0.168 29.629 29.700 0.161 0.000 0.748 778 E HN 0.595 nan 8.360 nan 0.000 0.449 779 E N -0.560 119.692 120.200 0.087 0.000 2.150 779 E HA -0.200 4.144 4.350 -0.010 0.000 0.193 779 E C 1.804 178.407 176.600 0.006 0.000 0.985 779 E CA 0.638 57.109 56.400 0.119 0.000 0.814 779 E CB -0.030 29.829 29.700 0.266 0.000 0.752 779 E HN 0.269 nan 8.360 nan 0.000 0.466 780 Y N 0.839 120.965 120.300 -0.290 0.000 2.163 780 Y HA -0.210 4.334 4.550 -0.010 0.000 0.288 780 Y C 2.176 177.672 175.900 -0.673 0.000 1.136 780 Y CA 1.573 59.174 58.100 -0.831 0.000 1.147 780 Y CB -0.584 37.450 38.460 -0.709 0.000 0.987 780 Y HN -0.023 nan 8.280 nan 0.000 0.509 781 V N -1.067 118.468 119.914 -0.631 0.000 2.427 781 V HA -0.192 3.923 4.120 -0.010 0.000 0.248 781 V C 2.177 178.018 176.094 -0.421 0.000 1.051 781 V CA 2.226 64.159 62.300 -0.613 0.000 1.048 781 V CB -0.849 30.677 31.823 -0.494 0.000 0.666 781 V HN 0.241 nan 8.190 nan 0.000 0.456 782 K N -0.477 119.746 120.400 -0.294 0.000 2.097 782 K HA -0.095 4.219 4.320 -0.010 0.000 0.205 782 K C 2.292 178.786 176.600 -0.178 0.000 1.050 782 K CA 1.790 57.974 56.287 -0.172 0.000 0.938 782 K CB -0.740 31.712 32.500 -0.081 0.000 0.718 782 K HN 0.649 nan 8.250 nan 0.000 0.442 783 C N 0.946 120.107 119.300 -0.232 0.000 2.446 783 C HA -0.073 4.381 4.460 -0.010 0.000 0.277 783 C C 2.501 177.283 174.990 -0.347 0.000 1.275 783 C CA 0.708 59.615 59.018 -0.185 0.000 1.727 783 C CB -0.625 27.022 27.740 -0.156 0.000 2.010 783 C HN 0.467 nan 8.230 nan 0.000 0.486 784 Q N 0.478 119.933 119.800 -0.575 0.000 2.170 784 Q HA -0.175 4.159 4.340 -0.010 0.000 0.203 784 Q C 1.972 177.756 176.000 -0.360 0.000 0.976 784 Q CA 1.622 57.048 55.803 -0.628 0.000 0.858 784 Q CB -0.385 27.740 28.738 -1.022 0.000 0.907 784 Q HN 0.766 nan 8.270 nan 0.000 0.433 785 E N 0.103 120.152 120.200 -0.252 0.000 2.150 785 E HA -0.112 4.232 4.350 -0.010 0.000 0.193 785 E C 2.029 178.575 176.600 -0.090 0.000 0.985 785 E CA 0.413 56.730 56.400 -0.137 0.000 0.814 785 E CB -0.003 29.639 29.700 -0.098 0.000 0.752 785 E HN 0.262 nan 8.360 nan 0.000 0.466 786 R N 0.501 120.950 120.500 -0.085 0.000 2.115 786 R HA -0.055 4.279 4.340 -0.010 0.000 0.230 786 R C 2.364 178.665 176.300 0.001 0.000 1.111 786 R CA 0.742 56.862 56.100 0.033 0.000 0.976 786 R CB -0.203 30.187 30.300 0.151 0.000 0.870 786 R HN 0.068 nan 8.270 nan 0.000 0.445 787 V N 0.535 120.256 119.914 -0.322 0.000 2.358 787 V HA -0.201 3.913 4.120 -0.010 0.000 0.246 787 V C 2.158 178.245 176.094 -0.012 0.000 1.047 787 V CA 1.827 63.863 62.300 -0.441 0.000 1.035 787 V CB -0.292 31.117 31.823 -0.690 0.000 0.658 787 V HN 0.262 nan 8.190 nan 0.000 0.452 788 S N 0.237 115.889 115.700 -0.080 0.000 2.382 788 S HA -0.152 4.312 4.470 -0.010 0.000 0.228 788 S C 2.192 176.842 174.600 0.084 0.000 1.027 788 S CA 1.355 59.538 58.200 -0.027 0.000 0.991 788 S CB -0.429 62.725 63.200 -0.077 0.000 0.823 788 S HN 0.646 nan 8.310 nan 0.000 0.469 789 A N 1.175 124.050 122.820 0.092 0.000 1.898 789 A HA 0.054 4.368 4.320 -0.010 0.000 0.216 789 A C 2.075 179.775 177.584 0.194 0.000 1.181 789 A CA 0.960 53.073 52.037 0.127 0.000 0.620 789 A CB -0.597 18.467 19.000 0.106 0.000 0.819 789 A HN 0.466 nan 8.150 nan 0.000 0.442 790 L N -2.113 119.290 121.223 0.300 0.000 2.156 790 L HA -0.112 4.222 4.340 -0.010 0.000 0.208 790 L C 2.432 179.597 176.870 0.491 0.000 1.095 790 L CA 1.434 56.528 54.840 0.423 0.000 0.770 790 L CB -0.337 42.079 42.059 0.595 0.000 0.914 790 L HN 0.579 nan 8.230 nan 0.000 0.439 791 Y N 0.975 121.418 120.300 0.237 0.000 2.333 791 Y HA -0.253 4.292 4.550 -0.009 0.000 0.290 791 Y C 2.338 178.172 175.900 -0.110 0.000 1.144 791 Y CA 1.552 59.521 58.100 -0.218 0.000 1.228 791 Y CB -0.032 38.081 38.460 -0.578 0.000 0.985 791 Y HN 0.045 nan 8.280 nan 0.000 0.542 792 K N -0.056 120.386 120.400 0.070 0.000 2.442 792 K HA -0.113 4.201 4.320 -0.010 0.000 0.198 792 K C 0.355 176.946 176.600 -0.016 0.000 1.042 792 K CA 0.601 56.909 56.287 0.036 0.000 0.958 792 K CB -0.079 32.488 32.500 0.113 0.000 0.766 792 K HN 0.062 nan 8.250 nan 0.000 0.474 793 N N 0.445 119.150 118.700 0.009 0.000 2.976 793 N HA 0.131 4.865 4.740 -0.010 0.000 0.255 793 N C -2.459 173.058 175.510 0.011 0.000 1.312 793 N CA -2.065 50.998 53.050 0.020 0.000 0.897 793 N CB 1.108 39.640 38.487 0.074 0.000 1.184 793 N HN -0.188 nan 8.380 nan 0.000 0.497 794 P HA -0.242 nan 4.420 nan 0.000 0.219 794 P C 1.427 178.738 177.300 0.018 0.000 1.161 794 P CA 1.431 64.461 63.100 -0.117 0.000 0.909 794 P CB 0.313 31.922 31.700 -0.152 0.000 0.793 795 R N -0.177 120.332 120.500 0.016 0.000 2.083 795 R HA -0.178 4.156 4.340 -0.010 0.000 0.237 795 R C 2.008 178.349 176.300 0.068 0.000 1.137 795 R CA 1.586 57.708 56.100 0.036 0.000 0.951 795 R CB -0.442 29.871 30.300 0.022 0.000 0.851 795 R HN 0.117 nan 8.270 nan 0.000 0.434 796 E N -0.095 120.156 120.200 0.085 0.000 2.152 796 E HA -0.213 4.131 4.350 -0.010 0.000 0.192 796 E C 1.613 178.287 176.600 0.124 0.000 0.983 796 E CA 0.651 57.105 56.400 0.088 0.000 0.818 796 E CB -0.444 29.308 29.700 0.086 0.000 0.758 796 E HN 0.531 nan 8.360 nan 0.000 0.467 797 W N 2.219 123.517 121.300 -0.004 0.000 2.354 797 W HA -0.176 4.477 4.660 -0.011 0.000 0.315 797 W C 1.617 178.143 176.519 0.012 0.000 1.206 797 W CA 2.049 59.408 57.345 0.023 0.000 1.290 797 W CB -0.453 28.995 29.460 -0.020 0.000 1.152 797 W HN 0.019 nan 8.180 nan 0.000 0.489 798 T N 1.304 116.001 114.554 0.239 0.000 2.788 798 T HA -0.177 4.167 4.350 -0.010 0.000 0.268 798 T C 1.860 176.568 174.700 0.013 0.000 1.044 798 T CA 1.729 63.898 62.100 0.114 0.000 1.139 798 T CB -0.296 68.622 68.868 0.083 0.000 0.867 798 T HN 0.180 nan 8.240 nan 0.000 0.454 799 R N 0.397 120.910 120.500 0.021 0.000 2.096 799 R HA 0.083 4.417 4.340 -0.010 0.000 0.235 799 R C 2.490 178.775 176.300 -0.024 0.000 1.127 799 R CA 1.181 57.291 56.100 0.016 0.000 0.968 799 R CB -0.331 29.986 30.300 0.028 0.000 0.861 799 R HN 0.376 nan 8.270 nan 0.000 0.440 800 M N 0.473 120.021 119.600 -0.088 0.000 2.175 800 M HA -0.126 4.348 4.480 -0.010 0.000 0.264 800 M C 1.920 178.124 176.300 -0.159 0.000 1.063 800 M CA 1.309 56.520 55.300 -0.150 0.000 1.119 800 M CB 0.204 32.649 32.600 -0.258 0.000 1.377 800 M HN -0.029 nan 8.290 nan 0.000 0.415 801 V N 0.959 120.759 119.914 -0.190 0.000 2.287 801 V HA -0.318 3.796 4.120 -0.010 0.000 0.248 801 V C 2.233 178.306 176.094 -0.034 0.000 1.053 801 V CA 2.044 64.266 62.300 -0.130 0.000 1.027 801 V CB -0.631 31.145 31.823 -0.079 0.000 0.646 801 V HN 0.514 nan 8.190 nan 0.000 0.447 802 I N -0.550 120.018 120.570 -0.003 0.000 2.264 802 I HA -0.270 3.894 4.170 -0.010 0.000 0.248 802 I C 2.683 178.848 176.117 0.079 0.000 1.111 802 I CA 1.568 62.910 61.300 0.071 0.000 1.382 802 I CB -0.430 37.655 38.000 0.141 0.000 1.060 802 I HN 0.239 nan 8.210 nan 0.000 0.418 803 R N 0.369 120.894 120.500 0.041 0.000 2.189 803 R HA -0.074 4.260 4.340 -0.010 0.000 0.223 803 R C 1.944 178.277 176.300 0.055 0.000 1.092 803 R CA 0.923 57.048 56.100 0.042 0.000 0.989 803 R CB -0.321 29.988 30.300 0.015 0.000 0.876 803 R HN 0.544 nan 8.270 nan 0.000 0.457 804 N N 0.616 119.345 118.700 0.047 0.000 2.148 804 N HA -0.050 4.684 4.740 -0.010 0.000 0.186 804 N C 1.937 177.509 175.510 0.103 0.000 1.031 804 N CA 0.933 54.036 53.050 0.087 0.000 0.848 804 N CB 0.028 38.545 38.487 0.052 0.000 1.005 804 N HN 0.097 nan 8.380 nan 0.000 0.427 805 I N 1.695 122.313 120.570 0.080 0.000 2.208 805 I HA -0.249 3.915 4.170 -0.010 0.000 0.245 805 I C 2.470 178.640 176.117 0.089 0.000 1.097 805 I CA 0.943 62.295 61.300 0.087 0.000 1.363 805 I CB -0.338 37.706 38.000 0.073 0.000 1.051 805 I HN 0.098 nan 8.210 nan 0.000 0.413 806 A N 0.293 123.165 122.820 0.087 0.000 2.070 806 A HA -0.173 4.141 4.320 -0.010 0.000 0.220 806 A C 2.078 179.703 177.584 0.068 0.000 1.159 806 A CA 2.096 54.176 52.037 0.072 0.000 0.656 806 A CB -0.870 18.176 19.000 0.077 0.000 0.800 806 A HN 0.546 nan 8.150 nan 0.000 0.453 807 T N -3.005 111.603 114.554 0.090 0.000 3.174 807 T HA 0.203 4.547 4.350 -0.010 0.000 0.269 807 T C 1.073 175.869 174.700 0.160 0.000 1.017 807 T CA 0.616 62.773 62.100 0.095 0.000 0.899 807 T CB -0.194 68.726 68.868 0.087 0.000 1.077 807 T HN 0.472 nan 8.240 nan 0.000 0.552 808 S N -0.060 115.752 115.700 0.186 0.000 2.593 808 S HA 0.263 4.727 4.470 -0.010 0.000 0.217 808 S C 2.203 176.942 174.600 0.232 0.000 0.966 808 S CA 0.239 58.628 58.200 0.315 0.000 0.914 808 S CB -0.573 62.781 63.200 0.257 0.000 0.776 808 S HN 0.522 nan 8.310 nan 0.000 0.523 809 G N 2.809 111.666 108.800 0.094 0.000 2.505 809 G HA2 -0.311 3.643 3.960 -0.010 0.000 0.220 809 G HA3 -0.311 3.643 3.960 -0.010 0.000 0.220 809 G C 1.324 176.179 174.900 -0.075 0.000 1.145 809 G CA 1.098 46.218 45.100 0.032 0.000 0.761 809 G HN 0.612 nan 8.290 nan 0.000 0.571 810 K N -0.125 120.114 120.400 -0.268 0.000 2.281 810 K HA -0.034 4.280 4.320 -0.010 0.000 0.203 810 K C 1.230 177.478 176.600 -0.586 0.000 1.046 810 K CA 0.720 56.704 56.287 -0.504 0.000 0.938 810 K CB -0.270 31.762 32.500 -0.781 0.000 0.737 810 K HN 0.406 nan 8.250 nan 0.000 0.458 811 F N 1.017 120.996 119.950 0.048 0.000 2.676 811 F HA 0.122 4.643 4.527 -0.011 0.000 0.300 811 F C 0.792 176.638 175.800 0.076 0.000 1.160 811 F CA -0.526 57.509 58.000 0.059 0.000 1.401 811 F CB 0.318 39.351 39.000 0.054 0.000 1.037 811 F HN -0.112 nan 8.300 nan 0.000 0.522 812 S N 0.245 116.020 115.700 0.125 0.000 2.545 812 S HA 0.094 4.558 4.470 -0.010 0.000 0.275 812 S C 1.417 176.094 174.600 0.128 0.000 1.299 812 S CA -0.255 58.020 58.200 0.126 0.000 1.048 812 S CB 0.888 64.133 63.200 0.075 0.000 0.938 812 S HN 0.334 nan 8.310 nan 0.000 0.496 813 S N 3.152 118.952 115.700 0.167 0.000 2.507 813 S HA -0.069 4.395 4.470 -0.010 0.000 0.235 813 S C 0.886 175.532 174.600 0.077 0.000 0.988 813 S CA 0.646 58.961 58.200 0.191 0.000 0.944 813 S CB -0.320 63.064 63.200 0.307 0.000 0.762 813 S HN 0.788 nan 8.310 nan 0.000 0.526 814 D N 1.813 122.245 120.400 0.054 0.000 2.149 814 D HA -0.054 4.580 4.640 -0.010 0.000 0.201 814 D C 2.114 178.414 176.300 0.000 0.000 0.972 814 D CA 0.665 54.675 54.000 0.017 0.000 0.835 814 D CB -0.300 40.509 40.800 0.015 0.000 0.966 814 D HN 0.291 nan 8.370 nan 0.000 0.476 815 R N 0.935 121.438 120.500 0.004 0.000 2.066 815 R HA -0.082 4.252 4.340 -0.010 0.000 0.232 815 R C 1.851 178.139 176.300 -0.019 0.000 1.131 815 R CA 1.363 57.452 56.100 -0.019 0.000 0.955 815 R CB -0.804 29.471 30.300 -0.041 0.000 0.851 815 R HN 0.096 nan 8.270 nan 0.000 0.432 816 T N 2.325 116.889 114.554 0.017 0.000 2.635 816 T HA -0.133 4.211 4.350 -0.010 0.000 0.267 816 T C 1.932 176.636 174.700 0.007 0.000 1.040 816 T CA 1.474 63.605 62.100 0.052 0.000 1.156 816 T CB -0.144 68.825 68.868 0.169 0.000 0.863 816 T HN 0.109 nan 8.240 nan 0.000 0.430 817 I N 1.669 122.161 120.570 -0.131 0.000 2.286 817 I HA -0.094 4.070 4.170 -0.010 0.000 0.248 817 I C 2.910 178.981 176.117 -0.077 0.000 1.115 817 I CA 0.927 62.112 61.300 -0.192 0.000 1.392 817 I CB -1.649 36.238 38.000 -0.190 0.000 1.065 817 I HN 0.199 nan 8.210 nan 0.000 0.418 818 A N 0.227 123.020 122.820 -0.045 0.000 1.933 818 A HA -0.236 4.078 4.320 -0.010 0.000 0.218 818 A C 2.251 179.795 177.584 -0.067 0.000 1.175 818 A CA 1.447 53.465 52.037 -0.031 0.000 0.628 818 A CB -0.544 18.443 19.000 -0.022 0.000 0.814 818 A HN 0.516 nan 8.150 nan 0.000 0.444 819 Q N -1.936 117.807 119.800 -0.095 0.000 2.083 819 Q HA -0.149 4.185 4.340 -0.010 0.000 0.198 819 Q C 1.920 177.761 176.000 -0.266 0.000 0.969 819 Q CA 1.557 57.266 55.803 -0.158 0.000 0.838 819 Q CB -0.288 28.346 28.738 -0.173 0.000 0.900 819 Q HN 0.826 nan 8.270 nan 0.000 0.436 820 Y N 0.603 120.617 120.300 -0.476 0.000 2.181 820 Y HA -0.264 4.280 4.550 -0.010 0.000 0.288 820 Y C 2.468 177.798 175.900 -0.949 0.000 1.146 820 Y CA 1.195 58.764 58.100 -0.883 0.000 1.164 820 Y CB -0.355 37.274 38.460 -1.385 0.000 0.982 820 Y HN 0.154 nan 8.280 nan 0.000 0.515 821 A N 0.390 122.985 122.820 -0.375 0.000 1.865 821 A HA -0.224 4.090 4.320 -0.010 0.000 0.217 821 A C 2.250 179.848 177.584 0.023 0.000 1.191 821 A CA 2.034 54.090 52.037 0.032 0.000 0.623 821 A CB -0.550 18.544 19.000 0.155 0.000 0.826 821 A HN 0.414 nan 8.150 nan 0.000 0.444 822 R N -0.581 119.896 120.500 -0.039 0.000 2.075 822 R HA -0.037 4.297 4.340 -0.010 0.000 0.226 822 R C 1.810 178.089 176.300 -0.035 0.000 1.114 822 R CA 1.448 57.537 56.100 -0.018 0.000 0.972 822 R CB -0.225 30.059 30.300 -0.026 0.000 0.869 822 R HN 0.668 nan 8.270 nan 0.000 0.437 823 E N -0.322 119.817 120.200 -0.101 0.000 2.447 823 E HA 0.079 4.423 4.350 -0.010 0.000 0.195 823 E C 1.430 177.982 176.600 -0.080 0.000 1.028 823 E CA 0.491 56.834 56.400 -0.094 0.000 0.876 823 E CB 0.494 30.110 29.700 -0.140 0.000 0.885 823 E HN 0.333 nan 8.360 nan 0.000 0.500 824 I N -1.295 119.197 120.570 -0.131 0.000 4.046 824 I HA 0.028 4.192 4.170 -0.010 0.000 0.285 824 I C 1.264 177.524 176.117 0.237 0.000 1.183 824 I CA -0.085 61.196 61.300 -0.030 0.000 1.337 824 I CB 0.244 38.079 38.000 -0.276 0.000 1.478 824 I HN 0.107 nan 8.210 nan 0.000 0.452 825 W N 1.672 123.073 121.300 0.167 0.000 2.737 825 W HA 0.341 4.995 4.660 -0.010 0.000 0.262 825 W C 1.445 178.007 176.519 0.072 0.000 1.282 825 W CA 0.767 58.191 57.345 0.133 0.000 1.386 825 W CB -1.032 28.494 29.460 0.111 0.000 1.099 825 W HN 0.308 nan 8.180 nan 0.000 0.621 826 G N 1.316 110.260 108.800 0.241 0.000 2.289 826 G HA2 -0.081 3.873 3.960 -0.010 0.000 0.280 826 G HA3 -0.081 3.873 3.960 -0.010 0.000 0.280 826 G C -0.378 174.600 174.900 0.130 0.000 1.089 826 G CA 0.225 45.408 45.100 0.139 0.000 0.939 826 G HN 0.455 nan 8.290 nan 0.000 0.499 827 V N -4.240 115.767 119.914 0.155 0.000 2.925 827 V HA 0.896 5.010 4.120 -0.010 0.000 0.311 827 V C -0.423 175.731 176.094 0.101 0.000 1.104 827 V CA -1.686 60.687 62.300 0.121 0.000 0.954 827 V CB 2.345 34.251 31.823 0.138 0.000 1.022 827 V HN 0.144 nan 8.190 nan 0.000 0.427 828 E N 4.093 124.336 120.200 0.071 0.000 2.174 828 E HA 0.506 4.850 4.350 -0.010 0.000 0.282 828 E C -2.490 174.146 176.600 0.060 0.000 0.992 828 E CA -1.746 54.688 56.400 0.057 0.000 0.803 828 E CB 1.864 31.590 29.700 0.042 0.000 1.090 828 E HN 0.770 nan 8.360 nan 0.000 0.396 829 P HA 0.090 nan 4.420 nan 0.000 0.272 829 P C -0.479 176.850 177.300 0.047 0.000 1.223 829 P CA -0.295 62.838 63.100 0.056 0.000 0.784 829 P CB 1.068 32.796 31.700 0.048 0.000 0.923 830 S N 1.329 117.059 115.700 0.051 0.000 2.538 830 S HA 0.379 4.843 4.470 -0.010 0.000 0.288 830 S C 0.351 174.976 174.600 0.043 0.000 1.108 830 S CA -0.772 57.457 58.200 0.047 0.000 0.971 830 S CB 0.987 64.222 63.200 0.058 0.000 1.041 830 S HN 0.292 nan 8.310 nan 0.000 0.483 831 R N 2.467 122.988 120.500 0.035 0.000 2.552 831 R HA 0.219 4.553 4.340 -0.010 0.000 0.314 831 R C -0.327 175.987 176.300 0.022 0.000 1.041 831 R CA -0.042 56.078 56.100 0.032 0.000 1.076 831 R CB 0.340 30.658 30.300 0.031 0.000 1.290 831 R HN 0.670 nan 8.270 nan 0.000 0.563 832 Q N 1.038 120.851 119.800 0.022 0.000 2.288 832 Q HA 0.178 4.512 4.340 -0.010 0.000 0.258 832 Q C -0.351 175.645 176.000 -0.006 0.000 0.957 832 Q CA -0.251 55.558 55.803 0.009 0.000 0.919 832 Q CB 1.142 29.889 28.738 0.016 0.000 1.185 832 Q HN -0.228 nan 8.270 nan 0.000 0.408 833 R N 1.530 122.018 120.500 -0.020 0.000 2.570 833 R HA 0.060 4.394 4.340 -0.010 0.000 0.277 833 R C -0.569 175.698 176.300 -0.055 0.000 1.039 833 R CA -0.164 55.913 56.100 -0.039 0.000 1.065 833 R CB 0.082 30.355 30.300 -0.044 0.000 0.964 833 R HN 0.422 nan 8.270 nan 0.000 0.428 834 L N 6.148 127.326 121.223 -0.076 0.000 2.417 834 L HA 0.270 4.604 4.340 -0.010 0.000 0.268 834 L C -1.685 175.121 176.870 -0.107 0.000 1.158 834 L CA -1.911 52.852 54.840 -0.127 0.000 0.819 834 L CB 0.644 42.611 42.059 -0.152 0.000 1.112 834 L HN 0.617 nan 8.230 nan 0.000 0.458 835 P HA -0.007 nan 4.420 nan 0.000 0.208 835 P C 0.070 177.334 177.300 -0.060 0.000 1.341 835 P CA 0.671 63.723 63.100 -0.079 0.000 1.235 835 P CB -0.671 30.981 31.700 -0.080 0.000 1.764 836 A N 3.875 126.665 122.820 -0.051 0.000 6.121 836 A HA -0.170 4.144 4.320 -0.010 0.000 0.424 836 A C -2.039 175.528 177.584 -0.028 0.000 2.043 836 A CA 0.014 52.030 52.037 -0.035 0.000 1.677 836 A CB -2.366 16.620 19.000 -0.024 0.000 1.203 836 A HN 0.445 nan 8.150 nan 0.000 0.561 837 P HA 0.000 nan 4.420 nan 0.000 0.216 837 P CA 0.000 63.103 63.100 0.006 0.000 0.800 837 P CB 0.000 31.716 31.700 0.028 0.000 0.726