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 2gpb_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 FNLKDFNVGG DATA SEQUENCE YIQAVLDRNL AENISRVLYP NDNFFEGKEL RLKQEYFVVA ATLQDIIRRF DATA SEQUENCE KSSKFGCRDP VRTNFDAFPD KVAIQLNDTH PSLAIPELMR VLVDLERLDW DATA SEQUENCE DKAWEVTVKT CAYTNHTVIP 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 QRLPAPDEKI P 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 -0.026 0.000 1.003 12 Q CA 0.000 55.792 55.803 -0.019 0.000 1.022 12 Q CB 0.000 28.733 28.738 -0.009 0.000 1.108 13 I N -0.474 120.078 120.570 -0.029 0.000 3.194 13 I HA 0.343 4.505 4.170 -0.014 0.000 0.271 13 I C 0.774 176.879 176.117 -0.021 0.000 1.150 13 I CA 0.110 61.387 61.300 -0.037 0.000 1.440 13 I CB 0.855 38.823 38.000 -0.053 0.000 1.276 13 I HN 0.429 nan 8.210 nan 0.000 0.457 14 S N -0.971 114.722 115.700 -0.012 0.000 2.655 14 S HA 0.196 4.658 4.470 -0.014 0.000 0.263 14 S C -1.535 173.068 174.600 0.004 0.000 1.091 14 S CA -0.511 57.690 58.200 0.001 0.000 0.865 14 S CB 1.298 64.498 63.200 0.001 0.000 1.146 14 S HN -0.129 nan 8.310 nan 0.000 0.482 15 V N 3.905 123.828 119.914 0.016 0.000 2.125 15 V HA 0.460 4.572 4.120 -0.014 0.000 0.263 15 V C 0.323 176.424 176.094 0.012 0.000 1.365 15 V CA -0.054 62.255 62.300 0.014 0.000 1.276 15 V CB -0.564 31.274 31.823 0.025 0.000 1.350 15 V HN 0.633 nan 8.190 nan 0.000 0.487 16 R N 3.772 124.272 120.500 -0.000 0.000 2.702 16 R HA 0.463 4.794 4.340 -0.014 0.000 0.314 16 R C 0.814 177.102 176.300 -0.019 0.000 1.152 16 R CA 0.401 56.498 56.100 -0.006 0.000 1.097 16 R CB 0.552 30.846 30.300 -0.011 0.000 1.343 16 R HN 0.781 nan 8.270 nan 0.000 0.575 17 G N 0.834 109.622 108.800 -0.020 0.000 2.710 17 G HA2 -0.215 3.737 3.960 -0.014 0.000 0.668 17 G HA3 -0.215 3.737 3.960 -0.014 0.000 0.668 17 G C -0.906 173.978 174.900 -0.026 0.000 1.320 17 G CA -1.109 43.972 45.100 -0.031 0.000 0.860 17 G HN 0.038 nan 8.290 nan 0.000 0.538 18 L N 0.576 121.782 121.223 -0.027 0.000 2.349 18 L HA 0.620 4.952 4.340 -0.014 0.000 0.275 18 L C 1.355 178.213 176.870 -0.021 0.000 1.115 18 L CA 0.411 55.238 54.840 -0.021 0.000 0.820 18 L CB 0.882 42.930 42.059 -0.017 0.000 1.135 18 L HN 1.472 nan 8.230 nan 0.000 0.445 19 A N 3.200 126.009 122.820 -0.017 0.000 3.095 19 A HA 0.564 4.876 4.320 -0.014 0.000 0.301 19 A C 0.788 178.368 177.584 -0.006 0.000 1.432 19 A CA -0.284 51.744 52.037 -0.014 0.000 1.140 19 A CB -0.649 18.341 19.000 -0.016 0.000 1.174 19 A HN 0.787 nan 8.150 nan 0.000 0.546 20 G N -0.078 108.719 108.800 -0.005 0.000 2.483 20 G HA2 0.376 4.328 3.960 -0.014 0.000 0.248 20 G HA3 0.376 4.328 3.960 -0.014 0.000 0.248 20 G C 1.037 175.941 174.900 0.007 0.000 1.248 20 G CA -0.087 45.014 45.100 0.001 0.000 0.838 20 G HN 0.346 nan 8.290 nan 0.000 0.566 21 V N 2.052 121.971 119.914 0.009 0.000 2.215 21 V HA -0.239 3.873 4.120 -0.014 0.000 0.249 21 V C 2.748 178.852 176.094 0.017 0.000 1.054 21 V CA 2.509 64.816 62.300 0.012 0.000 1.012 21 V CB -0.730 31.099 31.823 0.010 0.000 0.639 21 V HN 0.747 nan 8.190 nan 0.000 0.448 22 E N -0.082 120.129 120.200 0.018 0.000 2.267 22 E HA -0.185 4.157 4.350 -0.014 0.000 0.197 22 E C 1.929 178.549 176.600 0.035 0.000 0.998 22 E CA 1.402 57.816 56.400 0.024 0.000 0.830 22 E CB -0.372 29.341 29.700 0.023 0.000 0.751 22 E HN 0.679 nan 8.360 nan 0.000 0.491 23 N N -1.542 117.177 118.700 0.032 0.000 2.409 23 N HA -0.010 4.722 4.740 -0.014 0.000 0.174 23 N C 1.233 176.766 175.510 0.039 0.000 1.037 23 N CA 0.138 53.213 53.050 0.043 0.000 0.898 23 N CB 0.490 38.995 38.487 0.030 0.000 1.010 23 N HN -0.064 nan 8.380 nan 0.000 0.445 24 V N 0.123 120.053 119.914 0.026 0.000 2.379 24 V HA -0.165 3.946 4.120 -0.014 0.000 0.245 24 V C 1.894 178.008 176.094 0.033 0.000 1.044 24 V CA 1.692 64.007 62.300 0.024 0.000 1.036 24 V CB -0.636 31.197 31.823 0.016 0.000 0.664 24 V HN 0.381 nan 8.190 nan 0.000 0.453 25 T N -0.502 114.072 114.554 0.033 0.000 2.788 25 T HA -0.223 4.118 4.350 -0.014 0.000 0.268 25 T C 1.872 176.606 174.700 0.056 0.000 1.044 25 T CA 1.700 63.822 62.100 0.036 0.000 1.139 25 T CB -0.185 68.701 68.868 0.029 0.000 0.867 25 T HN 0.434 nan 8.240 nan 0.000 0.454 26 E N 0.935 121.176 120.200 0.068 0.000 2.038 26 E HA -0.095 4.247 4.350 -0.014 0.000 0.195 26 E C 1.947 178.625 176.600 0.131 0.000 1.000 26 E CA 0.898 57.355 56.400 0.095 0.000 0.803 26 E CB -0.539 29.228 29.700 0.112 0.000 0.750 26 E HN 0.176 nan 8.360 nan 0.000 0.448 27 L N 0.812 122.115 121.223 0.133 0.000 2.083 27 L HA -0.111 4.220 4.340 -0.014 0.000 0.209 27 L C 2.100 179.076 176.870 0.177 0.000 1.083 27 L CA 1.742 56.683 54.840 0.168 0.000 0.752 27 L CB -0.787 41.338 42.059 0.109 0.000 0.899 27 L HN 0.114 nan 8.230 nan 0.000 0.433 28 K N -0.661 119.802 120.400 0.105 0.000 2.097 28 K HA -0.154 4.158 4.320 -0.014 0.000 0.206 28 K C 2.046 178.739 176.600 0.155 0.000 1.049 28 K CA 1.039 57.378 56.287 0.087 0.000 0.933 28 K CB -0.059 32.450 32.500 0.015 0.000 0.717 28 K HN 0.261 nan 8.250 nan 0.000 0.442 29 K N 0.567 121.044 120.400 0.128 0.000 2.057 29 K HA -0.072 4.240 4.320 -0.014 0.000 0.207 29 K C 1.738 178.428 176.600 0.150 0.000 1.049 29 K CA 1.060 57.419 56.287 0.119 0.000 0.931 29 K CB -0.096 32.452 32.500 0.081 0.000 0.714 29 K HN 0.204 nan 8.250 nan 0.000 0.440 30 N N 0.388 119.196 118.700 0.180 0.000 2.300 30 N HA -0.106 4.626 4.740 -0.014 0.000 0.179 30 N C 1.708 177.403 175.510 0.309 0.000 1.016 30 N CA 0.660 53.819 53.050 0.183 0.000 0.876 30 N CB -0.123 38.497 38.487 0.222 0.000 0.979 30 N HN 0.081 nan 8.380 nan 0.000 0.432 31 F N 2.967 123.040 119.950 0.206 0.000 2.075 31 F HA -0.111 4.408 4.527 -0.013 0.000 0.297 31 F C 2.065 177.989 175.800 0.207 0.000 1.113 31 F CA 1.386 59.520 58.000 0.223 0.000 1.218 31 F CB -0.277 38.815 39.000 0.153 0.000 0.984 31 F HN -0.039 nan 8.300 nan 0.000 0.472 32 N N 0.417 119.374 118.700 0.429 0.000 2.120 32 N HA -0.179 4.553 4.740 -0.014 0.000 0.188 32 N C 2.134 177.758 175.510 0.190 0.000 1.024 32 N CA 0.884 54.103 53.050 0.281 0.000 0.852 32 N CB -0.548 38.069 38.487 0.217 0.000 1.003 32 N HN 0.289 nan 8.380 nan 0.000 0.424 33 R N 0.960 121.565 120.500 0.175 0.000 2.103 33 R HA -0.150 4.182 4.340 -0.014 0.000 0.234 33 R C 1.879 178.285 176.300 0.178 0.000 1.132 33 R CA 1.764 57.997 56.100 0.222 0.000 0.925 33 R CB -0.782 29.503 30.300 -0.024 0.000 0.842 33 R HN 0.457 nan 8.270 nan 0.000 0.430 34 H N -0.078 119.068 119.070 0.127 0.000 2.422 34 H HA -0.147 4.400 4.556 -0.014 0.000 0.298 34 H C 1.796 177.105 175.328 -0.031 0.000 1.098 34 H CA 1.424 57.483 56.048 0.018 0.000 1.315 34 H CB -0.068 29.661 29.762 -0.055 0.000 1.382 34 H HN 0.151 nan 8.280 nan 0.000 0.523 35 L N -0.306 120.955 121.223 0.063 0.000 2.141 35 L HA -0.136 4.196 4.340 -0.014 0.000 0.209 35 L C 2.153 179.043 176.870 0.033 0.000 1.094 35 L CA 1.720 56.558 54.840 -0.003 0.000 0.763 35 L CB -0.255 41.804 42.059 -0.000 0.000 0.908 35 L HN 0.261 nan 8.230 nan 0.000 0.437 36 H N -1.758 117.261 119.070 -0.084 0.000 2.320 36 H HA 0.024 4.572 4.556 -0.014 0.000 0.309 36 H C 1.767 176.913 175.328 -0.304 0.000 1.057 36 H CA 1.946 57.850 56.048 -0.241 0.000 1.374 36 H CB -0.235 29.308 29.762 -0.366 0.000 1.421 36 H HN 0.274 nan 8.280 nan 0.000 0.532 37 F N -0.238 119.707 119.950 -0.009 0.000 2.259 37 F HA -0.055 4.464 4.527 -0.014 0.000 0.298 37 F C 2.458 178.192 175.800 -0.110 0.000 1.088 37 F CA 1.552 59.495 58.000 -0.095 0.000 1.358 37 F CB -0.305 38.653 39.000 -0.071 0.000 1.040 37 F HN 0.188 nan 8.300 nan 0.000 0.505 38 T N -0.745 113.848 114.554 0.065 0.000 3.004 38 T HA 0.052 4.394 4.350 -0.014 0.000 0.243 38 T C 1.721 176.361 174.700 -0.100 0.000 1.020 38 T CA 0.498 62.568 62.100 -0.050 0.000 1.145 38 T CB -0.145 68.639 68.868 -0.140 0.000 0.876 38 T HN -0.063 nan 8.240 nan 0.000 0.449 39 L N 1.097 122.269 121.223 -0.085 0.000 2.375 39 L HA 0.277 4.609 4.340 -0.014 0.000 0.215 39 L C 0.700 177.498 176.870 -0.120 0.000 1.108 39 L CA 0.436 55.210 54.840 -0.111 0.000 0.830 39 L CB -0.735 41.268 42.059 -0.094 0.000 0.959 39 L HN 0.064 nan 8.230 nan 0.000 0.457 40 V N 0.596 120.427 119.914 -0.138 0.000 6.125 40 V HA -0.274 3.838 4.120 -0.014 0.000 0.281 40 V C 0.313 176.322 176.094 -0.141 0.000 0.591 40 V CA 0.740 62.928 62.300 -0.187 0.000 0.617 40 V CB -1.918 29.809 31.823 -0.160 0.000 0.336 40 V HN 0.394 nan 8.190 nan 0.000 0.650 41 K N 0.859 121.195 120.400 -0.107 0.000 2.509 41 K HA 0.693 5.005 4.320 -0.014 0.000 0.266 41 K C -0.420 176.181 176.600 0.002 0.000 0.987 41 K CA -0.341 55.908 56.287 -0.065 0.000 0.868 41 K CB 2.976 35.425 32.500 -0.084 0.000 1.421 41 K HN 0.643 nan 8.250 nan 0.000 0.444 42 D N -1.115 119.294 120.400 0.014 0.000 2.423 42 D HA 0.335 4.967 4.640 -0.014 0.000 0.235 42 D C 0.715 177.042 176.300 0.044 0.000 1.011 42 D CA -0.707 53.327 54.000 0.056 0.000 0.963 42 D CB 1.304 42.136 40.800 0.052 0.000 1.349 42 D HN 0.071 nan 8.370 nan 0.000 0.508 43 R N 0.703 121.253 120.500 0.083 0.000 2.170 43 R HA -0.099 4.232 4.340 -0.014 0.000 0.242 43 R C 0.889 177.253 176.300 0.106 0.000 1.145 43 R CA 0.903 57.086 56.100 0.138 0.000 0.984 43 R CB -0.854 29.536 30.300 0.149 0.000 0.869 43 R HN 0.605 nan 8.270 nan 0.000 0.455 44 N N 0.498 119.234 118.700 0.061 0.000 2.463 44 N HA -0.058 4.674 4.740 -0.014 0.000 0.181 44 N C 1.128 176.656 175.510 0.029 0.000 1.078 44 N CA 1.093 54.172 53.050 0.048 0.000 0.902 44 N CB 0.563 39.070 38.487 0.033 0.000 0.970 44 N HN 0.153 nan 8.380 nan 0.000 0.451 45 V N -3.077 116.840 119.914 0.005 0.000 3.166 45 V HA 0.532 4.643 4.120 -0.014 0.000 0.332 45 V C 0.376 176.434 176.094 -0.060 0.000 1.434 45 V CA -0.716 61.575 62.300 -0.015 0.000 1.121 45 V CB 0.023 31.836 31.823 -0.017 0.000 1.062 45 V HN -0.004 nan 8.190 nan 0.000 0.489 46 A N 1.918 124.672 122.820 -0.109 0.000 2.309 46 A HA 0.705 5.017 4.320 -0.014 0.000 0.290 46 A C 0.702 178.088 177.584 -0.330 0.000 1.206 46 A CA 0.481 52.334 52.037 -0.308 0.000 0.850 46 A CB 0.152 18.832 19.000 -0.533 0.000 1.118 46 A HN 0.739 nan 8.150 nan 0.000 0.523 47 T N 0.706 115.117 114.554 -0.238 0.000 2.862 47 T HA 0.475 4.817 4.350 -0.014 0.000 0.276 47 T C -1.994 172.695 174.700 -0.019 0.000 0.974 47 T CA -1.630 60.432 62.100 -0.064 0.000 0.966 47 T CB 0.725 69.592 68.868 -0.001 0.000 1.072 47 T HN 0.230 nan 8.240 nan 0.000 0.538 48 P HA -0.073 nan 4.420 nan 0.000 0.217 48 P C 1.621 179.076 177.300 0.259 0.000 1.148 48 P CA 0.939 64.225 63.100 0.310 0.000 0.828 48 P CB 0.060 31.885 31.700 0.208 0.000 0.783 49 R N -0.202 120.397 120.500 0.165 0.000 2.090 49 R HA -0.110 4.221 4.340 -0.014 0.000 0.228 49 R C 1.456 177.964 176.300 0.346 0.000 1.110 49 R CA 1.557 57.803 56.100 0.243 0.000 0.973 49 R CB -0.467 29.915 30.300 0.136 0.000 0.869 49 R HN 0.102 nan 8.270 nan 0.000 0.440 50 D N -0.373 120.098 120.400 0.118 0.000 2.144 50 D HA -0.169 4.463 4.640 -0.014 0.000 0.200 50 D C 1.613 177.929 176.300 0.027 0.000 0.978 50 D CA 1.122 55.134 54.000 0.019 0.000 0.833 50 D CB -0.285 40.397 40.800 -0.197 0.000 0.961 50 D HN 0.267 nan 8.370 nan 0.000 0.470 51 Y N 0.338 120.732 120.300 0.156 0.000 2.145 51 Y HA -0.221 4.321 4.550 -0.013 0.000 0.286 51 Y C 2.366 178.356 175.900 0.149 0.000 1.145 51 Y CA 0.328 58.540 58.100 0.187 0.000 1.148 51 Y CB -1.237 37.410 38.460 0.312 0.000 0.981 51 Y HN 0.041 nan 8.280 nan 0.000 0.507 52 Y N -0.302 120.141 120.300 0.239 0.000 2.102 52 Y HA -0.331 4.211 4.550 -0.014 0.000 0.280 52 Y C 2.002 177.849 175.900 -0.088 0.000 1.178 52 Y CA 1.414 59.542 58.100 0.046 0.000 1.146 52 Y CB -1.154 37.250 38.460 -0.094 0.000 0.968 52 Y HN 0.056 nan 8.280 nan 0.000 0.504 53 F N -0.075 119.586 119.950 -0.482 0.000 2.186 53 F HA -0.060 4.459 4.527 -0.013 0.000 0.299 53 F C 2.653 178.229 175.800 -0.374 0.000 1.090 53 F CA 1.350 59.015 58.000 -0.559 0.000 1.307 53 F CB -1.077 37.785 39.000 -0.229 0.000 1.019 53 F HN 0.164 nan 8.300 nan 0.000 0.489 54 A N 0.015 122.726 122.820 -0.183 0.000 1.902 54 A HA -0.165 4.147 4.320 -0.014 0.000 0.217 54 A C 2.295 179.681 177.584 -0.329 0.000 1.181 54 A CA 1.391 53.205 52.037 -0.372 0.000 0.623 54 A CB -1.047 17.379 19.000 -0.957 0.000 0.818 54 A HN 0.399 nan 8.150 nan 0.000 0.443 55 L N -0.816 120.290 121.223 -0.195 0.000 1.994 55 L HA -0.211 4.121 4.340 -0.014 0.000 0.208 55 L C 3.083 179.884 176.870 -0.115 0.000 1.071 55 L CA 1.438 56.320 54.840 0.070 0.000 0.745 55 L CB -0.570 41.617 42.059 0.214 0.000 0.892 55 L HN 0.455 nan 8.230 nan 0.000 0.431 56 A N -0.865 121.706 122.820 -0.415 0.000 1.948 56 A HA -0.307 4.005 4.320 -0.014 0.000 0.220 56 A C 1.854 179.012 177.584 -0.710 0.000 1.177 56 A CA 2.103 53.759 52.037 -0.635 0.000 0.636 56 A CB -0.984 17.314 19.000 -1.169 0.000 0.815 56 A HN 0.605 nan 8.150 nan 0.000 0.449 57 H N -1.326 117.412 119.070 -0.554 0.000 2.395 57 H HA -0.028 4.520 4.556 -0.013 0.000 0.299 57 H C 2.323 177.345 175.328 -0.509 0.000 1.070 57 H CA 1.714 57.381 56.048 -0.636 0.000 1.356 57 H CB -0.040 29.158 29.762 -0.940 0.000 1.401 57 H HN 0.455 nan 8.280 nan 0.000 0.524 58 T N -0.209 114.232 114.554 -0.188 0.000 2.788 58 T HA -0.121 4.221 4.350 -0.014 0.000 0.268 58 T C 2.184 177.052 174.700 0.281 0.000 1.044 58 T CA 1.198 63.399 62.100 0.167 0.000 1.139 58 T CB -0.257 68.781 68.868 0.283 0.000 0.867 58 T HN 0.095 nan 8.240 nan 0.000 0.454 59 V N 1.453 121.487 119.914 0.199 0.000 2.407 59 V HA -0.048 4.064 4.120 -0.014 0.000 0.245 59 V C 2.634 178.926 176.094 0.330 0.000 1.041 59 V CA 1.268 63.736 62.300 0.280 0.000 1.040 59 V CB -0.556 31.421 31.823 0.257 0.000 0.671 59 V HN 0.350 nan 8.190 nan 0.000 0.455 60 R N 0.322 120.958 120.500 0.227 0.000 2.120 60 R HA -0.207 4.125 4.340 -0.014 0.000 0.234 60 R C 1.826 178.243 176.300 0.196 0.000 1.123 60 R CA 1.908 58.154 56.100 0.243 0.000 0.975 60 R CB -0.440 29.867 30.300 0.012 0.000 0.866 60 R HN 0.466 nan 8.270 nan 0.000 0.446 61 D N -0.096 120.398 120.400 0.156 0.000 2.182 61 D HA -0.159 4.473 4.640 -0.014 0.000 0.201 61 D C 1.637 177.923 176.300 -0.023 0.000 0.986 61 D CA 1.106 55.150 54.000 0.073 0.000 0.847 61 D CB -0.339 40.481 40.800 0.032 0.000 0.942 61 D HN 0.486 nan 8.370 nan 0.000 0.467 62 H N -0.245 118.891 119.070 0.110 0.000 2.529 62 H HA 0.052 4.600 4.556 -0.013 0.000 0.277 62 H C 1.895 177.271 175.328 0.080 0.000 0.999 62 H CA 0.541 56.639 56.048 0.083 0.000 1.256 62 H CB 0.474 30.276 29.762 0.066 0.000 1.402 62 H HN 0.260 nan 8.280 nan 0.000 0.566 63 L N -1.180 120.154 121.223 0.186 0.000 2.693 63 L HA 0.184 4.516 4.340 -0.014 0.000 0.235 63 L C 1.852 178.847 176.870 0.208 0.000 1.127 63 L CA -0.008 54.920 54.840 0.145 0.000 0.914 63 L CB -0.115 41.991 42.059 0.079 0.000 1.193 63 L HN -0.117 nan 8.230 nan 0.000 0.502 64 V N -2.322 117.724 119.914 0.221 0.000 2.548 64 V HA 0.101 4.213 4.120 -0.014 0.000 0.249 64 V C 2.494 178.698 176.094 0.184 0.000 1.055 64 V CA 1.420 63.888 62.300 0.280 0.000 1.065 64 V CB -1.553 30.386 31.823 0.194 0.000 0.681 64 V HN 0.361 nan 8.190 nan 0.000 0.462 65 G N 0.515 109.381 108.800 0.110 0.000 2.459 65 G HA2 -0.240 3.712 3.960 -0.014 0.000 0.217 65 G HA3 -0.240 3.712 3.960 -0.014 0.000 0.217 65 G C 1.799 176.743 174.900 0.073 0.000 1.183 65 G CA 1.053 46.192 45.100 0.064 0.000 0.776 65 G HN 0.484 nan 8.290 nan 0.000 0.552 66 R N -1.466 119.087 120.500 0.089 0.000 2.075 66 R HA -0.067 4.265 4.340 -0.014 0.000 0.232 66 R C 2.275 178.655 176.300 0.134 0.000 1.126 66 R CA 1.079 57.221 56.100 0.070 0.000 0.963 66 R CB -0.382 29.945 30.300 0.046 0.000 0.858 66 R HN 0.475 nan 8.270 nan 0.000 0.435 67 W N 1.617 122.898 121.300 -0.032 0.000 2.317 67 W HA -0.157 4.496 4.660 -0.013 0.000 0.318 67 W C 1.759 178.250 176.519 -0.047 0.000 1.227 67 W CA 1.141 58.464 57.345 -0.037 0.000 1.269 67 W CB -0.731 28.725 29.460 -0.006 0.000 1.155 67 W HN 0.000 nan 8.180 nan 0.000 0.484 68 I N 0.860 121.469 120.570 0.066 0.000 2.226 68 I HA -0.343 3.819 4.170 -0.014 0.000 0.245 68 I C 2.689 178.787 176.117 -0.033 0.000 1.100 68 I CA 2.031 63.286 61.300 -0.074 0.000 1.374 68 I CB -0.529 37.433 38.000 -0.063 0.000 1.057 68 I HN 0.011 nan 8.210 nan 0.000 0.413 69 R N -0.087 120.413 120.500 -0.000 0.000 2.153 69 R HA -0.029 4.303 4.340 -0.014 0.000 0.218 69 R C 1.874 178.146 176.300 -0.047 0.000 1.072 69 R CA 1.365 57.460 56.100 -0.008 0.000 0.990 69 R CB -0.992 29.305 30.300 -0.005 0.000 0.889 69 R HN 0.170 nan 8.270 nan 0.000 0.452 70 T N 1.444 115.948 114.554 -0.082 0.000 2.701 70 T HA -0.082 4.260 4.350 -0.014 0.000 0.263 70 T C 1.797 176.257 174.700 -0.400 0.000 1.040 70 T CA 1.124 63.069 62.100 -0.259 0.000 1.147 70 T CB -0.096 68.673 68.868 -0.165 0.000 0.865 70 T HN 0.190 nan 8.240 nan 0.000 0.426 71 Q N 1.028 120.731 119.800 -0.162 0.000 2.061 71 Q HA -0.144 4.188 4.340 -0.014 0.000 0.204 71 Q C 2.397 178.401 176.000 0.007 0.000 0.984 71 Q CA 1.587 57.347 55.803 -0.072 0.000 0.846 71 Q CB -0.692 28.024 28.738 -0.035 0.000 0.902 71 Q HN 0.512 nan 8.270 nan 0.000 0.421 72 Q N 0.075 119.885 119.800 0.017 0.000 2.135 72 Q HA -0.204 4.128 4.340 -0.014 0.000 0.204 72 Q C 1.877 177.976 176.000 0.165 0.000 0.981 72 Q CA 2.041 57.909 55.803 0.109 0.000 0.856 72 Q CB -0.424 28.355 28.738 0.068 0.000 0.902 72 Q HN 0.570 nan 8.270 nan 0.000 0.425 73 H N -1.047 118.007 119.070 -0.027 0.000 2.290 73 H HA -0.181 4.367 4.556 -0.013 0.000 0.298 73 H C 1.128 176.511 175.328 0.090 0.000 1.087 73 H CA 2.378 58.412 56.048 -0.025 0.000 1.291 73 H CB -0.309 29.369 29.762 -0.140 0.000 1.369 73 H HN 0.384 nan 8.280 nan 0.000 0.492 74 Y N -1.132 119.266 120.300 0.162 0.000 2.403 74 Y HA -0.179 4.363 4.550 -0.014 0.000 0.291 74 Y C 2.311 178.268 175.900 0.096 0.000 1.143 74 Y CA 0.914 59.079 58.100 0.107 0.000 1.257 74 Y CB -1.142 37.420 38.460 0.170 0.000 0.984 74 Y HN 0.391 nan 8.280 nan 0.000 0.550 75 Y N 1.134 121.526 120.300 0.153 0.000 2.184 75 Y HA -0.132 4.410 4.550 -0.014 0.000 0.290 75 Y C 2.116 178.034 175.900 0.030 0.000 1.129 75 Y CA 1.538 59.691 58.100 0.089 0.000 1.144 75 Y CB -0.190 38.309 38.460 0.065 0.000 0.995 75 Y HN -0.027 nan 8.280 nan 0.000 0.513 76 E N 0.518 120.606 120.200 -0.188 0.000 2.007 76 E HA -0.182 4.160 4.350 -0.014 0.000 0.194 76 E C 1.950 178.407 176.600 -0.238 0.000 0.999 76 E CA 1.433 57.673 56.400 -0.265 0.000 0.811 76 E CB -0.271 29.346 29.700 -0.138 0.000 0.762 76 E HN 0.340 nan 8.360 nan 0.000 0.450 77 K N 0.826 121.092 120.400 -0.224 0.000 2.296 77 K HA -0.064 4.248 4.320 -0.014 0.000 0.200 77 K C 0.019 176.575 176.600 -0.073 0.000 1.048 77 K CA 0.411 56.602 56.287 -0.160 0.000 0.966 77 K CB -0.509 31.869 32.500 -0.204 0.000 0.754 77 K HN 0.123 nan 8.250 nan 0.000 0.466 78 D N 0.903 121.281 120.400 -0.037 0.000 2.904 78 D HA -0.113 4.518 4.640 -0.014 0.000 0.231 78 D C -2.246 174.071 176.300 0.030 0.000 1.185 78 D CA 0.092 54.100 54.000 0.013 0.000 0.783 78 D CB -0.086 40.703 40.800 -0.019 0.000 0.961 78 D HN 0.176 nan 8.370 nan 0.000 0.409 79 P HA 0.149 nan 4.420 nan 0.000 0.282 79 P C -0.216 177.070 177.300 -0.022 0.000 1.287 79 P CA -0.727 62.369 63.100 -0.006 0.000 0.792 79 P CB 0.653 32.334 31.700 -0.032 0.000 1.163 80 K N 0.880 121.261 120.400 -0.031 0.000 2.401 80 K HA 0.113 4.425 4.320 -0.014 0.000 0.278 80 K C -0.208 176.316 176.600 -0.126 0.000 1.018 80 K CA -0.062 56.195 56.287 -0.050 0.000 0.981 80 K CB 0.269 32.753 32.500 -0.027 0.000 0.933 80 K HN 0.280 nan 8.250 nan 0.000 0.477 81 R N 3.367 123.771 120.500 -0.160 0.000 2.589 81 R HA 0.440 4.772 4.340 -0.014 0.000 0.293 81 R C -0.817 175.206 176.300 -0.463 0.000 0.963 81 R CA -0.431 55.495 56.100 -0.289 0.000 0.905 81 R CB 1.184 31.338 30.300 -0.244 0.000 1.144 81 R HN 0.525 nan 8.270 nan 0.000 0.459 82 I N 3.532 123.768 120.570 -0.556 0.000 2.339 82 I HA 0.272 4.434 4.170 -0.014 0.000 0.290 82 I C -0.872 174.912 176.117 -0.556 0.000 0.994 82 I CA -0.562 60.362 61.300 -0.627 0.000 1.191 82 I CB 0.963 38.491 38.000 -0.786 0.000 1.343 82 I HN 0.463 nan 8.210 nan 0.000 0.458 83 Y N 6.131 126.402 120.300 -0.048 0.000 2.385 83 Y HA 0.270 4.812 4.550 -0.013 0.000 0.341 83 Y C -0.488 175.505 175.900 0.155 0.000 0.965 83 Y CA -0.638 57.541 58.100 0.133 0.000 1.180 83 Y CB 0.646 39.118 38.460 0.021 0.000 1.139 83 Y HN 0.396 nan 8.280 nan 0.000 0.502 84 Y N 4.669 125.136 120.300 0.279 0.000 2.518 84 Y HA 0.456 4.998 4.550 -0.013 0.000 0.344 84 Y C -1.209 174.949 175.900 0.430 0.000 0.982 84 Y CA -1.059 57.218 58.100 0.296 0.000 1.234 84 Y CB 0.213 38.853 38.460 0.300 0.000 1.114 84 Y HN 0.518 nan 8.280 nan 0.000 0.515 85 L N 5.094 126.314 121.223 -0.005 0.000 2.265 85 L HA 0.464 4.796 4.340 -0.014 0.000 0.288 85 L C -0.163 176.665 176.870 -0.070 0.000 1.058 85 L CA 0.226 55.125 54.840 0.098 0.000 0.809 85 L CB 1.216 43.314 42.059 0.066 0.000 1.179 85 L HN 0.600 nan 8.230 nan 0.000 0.429 86 S N 2.594 118.327 115.700 0.055 0.000 2.541 86 S HA 0.490 4.952 4.470 -0.014 0.000 0.271 86 S C 0.179 174.799 174.600 0.033 0.000 1.133 86 S CA -0.549 57.585 58.200 -0.110 0.000 0.876 86 S CB 1.035 63.956 63.200 -0.464 0.000 1.105 86 S HN 0.450 nan 8.310 nan 0.000 0.470 87 L N 2.732 124.032 121.223 0.129 0.000 2.591 87 L HA 0.451 4.783 4.340 -0.014 0.000 0.228 87 L C 0.333 177.336 176.870 0.221 0.000 1.133 87 L CA 0.969 55.948 54.840 0.232 0.000 0.880 87 L CB -0.227 42.003 42.059 0.284 0.000 1.033 87 L HN 0.643 nan 8.230 nan 0.000 0.450 88 E N -1.401 118.785 120.200 -0.023 0.000 2.331 88 E HA 0.436 4.778 4.350 -0.014 0.000 0.275 88 E C -1.448 174.919 176.600 -0.389 0.000 0.895 88 E CA -0.536 55.844 56.400 -0.033 0.000 0.753 88 E CB 2.066 31.761 29.700 -0.008 0.000 1.216 88 E HN -0.211 nan 8.360 nan 0.000 0.434 89 F N 2.053 122.109 119.950 0.176 0.000 2.659 89 F HA 0.198 4.717 4.527 -0.014 0.000 0.342 89 F C -0.985 174.909 175.800 0.157 0.000 1.168 89 F CA -0.704 57.395 58.000 0.164 0.000 1.003 89 F CB 1.081 40.170 39.000 0.148 0.000 1.267 89 F HN 0.451 nan 8.300 nan 0.000 0.463 90 Y N 5.569 125.955 120.300 0.144 0.000 2.958 90 Y HA 0.287 4.829 4.550 -0.013 0.000 0.336 90 Y C 0.822 176.744 175.900 0.036 0.000 1.160 90 Y CA -1.379 56.750 58.100 0.049 0.000 1.292 90 Y CB 0.459 38.930 38.460 0.019 0.000 1.306 90 Y HN 0.543 nan 8.280 nan 0.000 0.547 91 M N 1.389 121.118 119.600 0.215 0.000 2.254 91 M HA 0.081 4.553 4.480 -0.014 0.000 0.265 91 M C 1.526 177.797 176.300 -0.048 0.000 1.066 91 M CA 1.206 56.538 55.300 0.054 0.000 1.123 91 M CB -1.305 31.310 32.600 0.026 0.000 1.388 91 M HN 0.679 nan 8.290 nan 0.000 0.425 92 G N 0.983 109.765 108.800 -0.030 0.000 2.598 92 G HA2 -0.272 3.680 3.960 -0.014 0.000 0.244 92 G HA3 -0.272 3.680 3.960 -0.014 0.000 0.244 92 G C -0.353 174.501 174.900 -0.077 0.000 1.302 92 G CA -0.315 44.727 45.100 -0.096 0.000 0.903 92 G HN 0.451 nan 8.290 nan 0.000 0.575 93 R N -0.626 119.813 120.500 -0.102 0.000 2.582 93 R HA 0.546 4.877 4.340 -0.014 0.000 0.271 93 R C 1.439 177.633 176.300 -0.177 0.000 1.078 93 R CA 0.413 56.465 56.100 -0.080 0.000 1.127 93 R CB 0.923 31.176 30.300 -0.078 0.000 1.038 93 R HN 0.793 nan 8.270 nan 0.000 0.500 94 T N 0.682 115.078 114.554 -0.263 0.000 3.040 94 T HA 0.046 4.388 4.350 -0.014 0.000 0.266 94 T C 1.176 175.482 174.700 -0.657 0.000 1.005 94 T CA -0.192 61.560 62.100 -0.579 0.000 0.906 94 T CB 0.225 68.525 68.868 -0.947 0.000 1.082 94 T HN 0.370 nan 8.240 nan 0.000 0.531 95 L N 1.465 122.559 121.223 -0.216 0.000 2.023 95 L HA 0.255 4.587 4.340 -0.014 0.000 0.205 95 L C 2.547 179.389 176.870 -0.048 0.000 1.073 95 L CA 2.028 56.884 54.840 0.028 0.000 0.745 95 L CB -0.733 41.543 42.059 0.361 0.000 0.900 95 L HN 0.325 nan 8.230 nan 0.000 0.435 96 Q N -0.688 119.077 119.800 -0.058 0.000 2.079 96 Q HA -0.229 4.103 4.340 -0.014 0.000 0.200 96 Q C 2.199 178.129 176.000 -0.116 0.000 0.974 96 Q CA 1.677 57.441 55.803 -0.066 0.000 0.840 96 Q CB -0.249 28.446 28.738 -0.071 0.000 0.898 96 Q HN 0.667 nan 8.270 nan 0.000 0.430 97 N N -0.845 117.746 118.700 -0.181 0.000 2.069 97 N HA -0.161 4.571 4.740 -0.014 0.000 0.191 97 N C 1.467 176.871 175.510 -0.177 0.000 1.031 97 N CA 1.974 54.907 53.050 -0.195 0.000 0.852 97 N CB -0.004 38.332 38.487 -0.253 0.000 1.018 97 N HN 0.223 nan 8.380 nan 0.000 0.423 98 T N 1.439 115.849 114.554 -0.240 0.000 2.746 98 T HA -0.094 4.248 4.350 -0.014 0.000 0.267 98 T C 2.061 176.698 174.700 -0.105 0.000 1.039 98 T CA 1.121 63.099 62.100 -0.203 0.000 1.142 98 T CB -0.079 68.604 68.868 -0.308 0.000 0.866 98 T HN 0.282 nan 8.240 nan 0.000 0.444 99 M N 0.453 120.009 119.600 -0.074 0.000 2.086 99 M HA -0.090 4.382 4.480 -0.014 0.000 0.261 99 M C 2.492 178.760 176.300 -0.055 0.000 1.067 99 M CA 1.282 56.553 55.300 -0.048 0.000 1.116 99 M CB -0.638 31.949 32.600 -0.021 0.000 1.348 99 M HN 0.109 nan 8.290 nan 0.000 0.407 100 V N 1.016 120.903 119.914 -0.045 0.000 2.255 100 V HA -0.286 3.826 4.120 -0.014 0.000 0.247 100 V C 1.777 177.868 176.094 -0.006 0.000 1.051 100 V CA 1.976 64.275 62.300 -0.002 0.000 1.018 100 V CB -0.891 30.939 31.823 0.011 0.000 0.641 100 V HN 0.477 nan 8.190 nan 0.000 0.445 101 N N -0.426 118.260 118.700 -0.023 0.000 2.459 101 N HA -0.043 4.689 4.740 -0.014 0.000 0.181 101 N C 1.071 176.477 175.510 -0.172 0.000 1.046 101 N CA 0.697 53.704 53.050 -0.071 0.000 0.904 101 N CB -0.064 38.401 38.487 -0.037 0.000 0.964 101 N HN 0.283 nan 8.380 nan 0.000 0.444 102 L N -0.479 120.665 121.223 -0.132 0.000 2.693 102 L HA 0.405 4.737 4.340 -0.014 0.000 0.235 102 L C 0.651 177.443 176.870 -0.130 0.000 1.127 102 L CA -0.175 54.594 54.840 -0.118 0.000 0.914 102 L CB -0.667 41.352 42.059 -0.066 0.000 1.193 102 L HN 0.102 nan 8.230 nan 0.000 0.502 103 A N -0.677 122.056 122.820 -0.144 0.000 2.925 103 A HA -0.218 4.094 4.320 -0.014 0.000 0.265 103 A C 1.146 178.677 177.584 -0.089 0.000 1.419 103 A CA 0.926 52.889 52.037 -0.124 0.000 0.807 103 A CB -2.050 16.866 19.000 -0.141 0.000 1.043 103 A HN 0.223 nan 8.150 nan 0.000 0.600 104 L N -0.559 120.611 121.223 -0.087 0.000 2.585 104 L HA 0.252 4.584 4.340 -0.014 0.000 0.226 104 L C 1.860 178.694 176.870 -0.061 0.000 1.113 104 L CA 1.802 56.587 54.840 -0.093 0.000 0.876 104 L CB -0.273 41.710 42.059 -0.126 0.000 1.072 104 L HN 0.611 nan 8.230 nan 0.000 0.468 105 E N -0.459 119.715 120.200 -0.044 0.000 2.051 105 E HA -0.230 4.112 4.350 -0.014 0.000 0.192 105 E C 1.603 178.189 176.600 -0.023 0.000 0.991 105 E CA 1.308 57.692 56.400 -0.027 0.000 0.799 105 E CB 0.226 29.913 29.700 -0.022 0.000 0.748 105 E HN 0.398 nan 8.360 nan 0.000 0.449 106 N N -0.017 118.667 118.700 -0.028 0.000 2.216 106 N HA -0.083 4.649 4.740 -0.014 0.000 0.183 106 N C 1.482 176.976 175.510 -0.026 0.000 1.017 106 N CA 1.179 54.212 53.050 -0.029 0.000 0.861 106 N CB -0.301 38.168 38.487 -0.029 0.000 0.986 106 N HN 0.229 nan 8.380 nan 0.000 0.428 107 A N 0.127 122.930 122.820 -0.027 0.000 1.898 107 A HA -0.118 4.194 4.320 -0.014 0.000 0.216 107 A C 2.582 180.158 177.584 -0.014 0.000 1.181 107 A CA 1.174 53.198 52.037 -0.022 0.000 0.620 107 A CB -0.933 18.047 19.000 -0.033 0.000 0.819 107 A HN 0.427 nan 8.150 nan 0.000 0.442 108 C N -0.765 118.525 119.300 -0.015 0.000 2.435 108 C HA -0.059 4.392 4.460 -0.014 0.000 0.279 108 C C 2.437 177.433 174.990 0.010 0.000 1.321 108 C CA 0.950 59.972 59.018 0.006 0.000 1.752 108 C CB -1.032 26.722 27.740 0.022 0.000 1.959 108 C HN 0.635 nan 8.230 nan 0.000 0.500 109 D N 0.652 121.053 120.400 0.002 0.000 2.097 109 D HA -0.134 4.498 4.640 -0.014 0.000 0.195 109 D C 2.161 178.471 176.300 0.017 0.000 0.989 109 D CA 1.466 55.467 54.000 0.001 0.000 0.827 109 D CB -0.194 40.591 40.800 -0.026 0.000 0.966 109 D HN 0.435 nan 8.370 nan 0.000 0.456 110 E N 0.774 120.979 120.200 0.008 0.000 2.028 110 E HA -0.078 4.264 4.350 -0.014 0.000 0.191 110 E C 1.920 178.566 176.600 0.076 0.000 0.988 110 E CA 1.713 58.144 56.400 0.050 0.000 0.799 110 E CB -0.666 29.047 29.700 0.023 0.000 0.755 110 E HN 0.176 nan 8.360 nan 0.000 0.447 111 A N -0.078 122.752 122.820 0.017 0.000 1.903 111 A HA -0.280 4.032 4.320 -0.014 0.000 0.219 111 A C 2.521 180.040 177.584 -0.107 0.000 1.191 111 A CA 3.428 55.447 52.037 -0.030 0.000 0.638 111 A CB -1.617 17.368 19.000 -0.025 0.000 0.823 111 A HN 0.548 nan 8.150 nan 0.000 0.451 112 T N -4.053 110.434 114.554 -0.112 0.000 2.857 112 T HA -0.179 4.163 4.350 -0.014 0.000 0.266 112 T C 1.835 176.459 174.700 -0.125 0.000 1.048 112 T CA 1.470 63.440 62.100 -0.217 0.000 1.139 112 T CB -0.562 68.227 68.868 -0.132 0.000 0.874 112 T HN 0.470 nan 8.240 nan 0.000 0.455 113 Y N 2.105 122.327 120.300 -0.130 0.000 2.128 113 Y HA -0.122 4.420 4.550 -0.013 0.000 0.284 113 Y C 2.668 178.505 175.900 -0.105 0.000 1.154 113 Y CA 1.605 59.646 58.100 -0.098 0.000 1.149 113 Y CB -0.553 37.868 38.460 -0.064 0.000 0.976 113 Y HN 0.241 nan 8.280 nan 0.000 0.505 114 Q N -0.892 118.834 119.800 -0.122 0.000 2.124 114 Q HA -0.167 4.165 4.340 -0.014 0.000 0.202 114 Q C 1.844 177.712 176.000 -0.220 0.000 0.977 114 Q CA 1.268 56.958 55.803 -0.189 0.000 0.850 114 Q CB -0.186 28.508 28.738 -0.073 0.000 0.901 114 Q HN 0.360 nan 8.270 nan 0.000 0.429 115 L N -0.809 120.268 121.223 -0.244 0.000 2.551 115 L HA 0.023 4.355 4.340 -0.014 0.000 0.228 115 L C 1.200 177.907 176.870 -0.272 0.000 1.153 115 L CA 1.650 56.322 54.840 -0.280 0.000 0.851 115 L CB -0.765 41.011 42.059 -0.472 0.000 0.959 115 L HN 0.399 nan 8.230 nan 0.000 0.451 116 G N -0.504 108.126 108.800 -0.283 0.000 2.165 116 G HA2 -0.225 3.727 3.960 -0.014 0.000 0.226 116 G HA3 -0.225 3.727 3.960 -0.014 0.000 0.226 116 G C -0.023 174.747 174.900 -0.216 0.000 1.035 116 G CA 0.185 45.128 45.100 -0.261 0.000 0.744 116 G HN 0.279 nan 8.290 nan 0.000 0.501 117 L N -0.500 120.602 121.223 -0.202 0.000 2.323 117 L HA 0.669 5.001 4.340 -0.014 0.000 0.265 117 L C -0.585 176.263 176.870 -0.038 0.000 1.012 117 L CA -1.231 53.515 54.840 -0.158 0.000 0.820 117 L CB 1.875 43.779 42.059 -0.258 0.000 1.334 117 L HN 0.084 nan 8.230 nan 0.000 0.427 118 D N 1.368 121.773 120.400 0.008 0.000 2.329 118 D HA 0.279 4.910 4.640 -0.014 0.000 0.232 118 D C 0.786 177.118 176.300 0.054 0.000 1.088 118 D CA -0.273 53.756 54.000 0.048 0.000 0.835 118 D CB 1.391 42.222 40.800 0.050 0.000 1.078 118 D HN 0.416 nan 8.370 nan 0.000 0.495 119 M N 2.105 121.739 119.600 0.056 0.000 2.080 119 M HA -0.171 4.301 4.480 -0.014 0.000 0.260 119 M C 1.552 177.894 176.300 0.070 0.000 1.068 119 M CA 1.492 56.835 55.300 0.071 0.000 1.109 119 M CB -0.162 32.472 32.600 0.058 0.000 1.342 119 M HN 0.544 nan 8.290 nan 0.000 0.405 120 E N -0.036 120.194 120.200 0.050 0.000 2.118 120 E HA -0.250 4.092 4.350 -0.014 0.000 0.195 120 E C 1.893 178.520 176.600 0.045 0.000 0.992 120 E CA 1.339 57.764 56.400 0.041 0.000 0.804 120 E CB -0.134 29.587 29.700 0.034 0.000 0.741 120 E HN 0.535 nan 8.360 nan 0.000 0.458 121 E N 0.340 120.571 120.200 0.053 0.000 2.051 121 E HA -0.207 4.135 4.350 -0.014 0.000 0.192 121 E C 1.989 178.626 176.600 0.061 0.000 0.991 121 E CA 0.723 57.155 56.400 0.053 0.000 0.799 121 E CB 0.123 29.859 29.700 0.060 0.000 0.748 121 E HN 0.054 nan 8.360 nan 0.000 0.449 122 L N 1.426 122.709 121.223 0.100 0.000 2.083 122 L HA -0.171 4.161 4.340 -0.014 0.000 0.209 122 L C 2.145 179.060 176.870 0.075 0.000 1.083 122 L CA 1.691 56.621 54.840 0.151 0.000 0.752 122 L CB -0.765 41.441 42.059 0.244 0.000 0.899 122 L HN 0.174 nan 8.230 nan 0.000 0.433 123 E N -0.698 119.536 120.200 0.057 0.000 2.077 123 E HA -0.208 4.134 4.350 -0.014 0.000 0.193 123 E C 1.934 178.479 176.600 -0.092 0.000 0.989 123 E CA 0.888 57.286 56.400 -0.003 0.000 0.800 123 E CB -0.003 29.708 29.700 0.018 0.000 0.746 123 E HN 0.377 nan 8.360 nan 0.000 0.452 124 E N 0.269 120.436 120.200 -0.055 0.000 2.333 124 E HA -0.134 4.208 4.350 -0.014 0.000 0.198 124 E C 1.769 178.292 176.600 -0.128 0.000 1.007 124 E CA 0.630 56.994 56.400 -0.059 0.000 0.845 124 E CB -0.014 29.683 29.700 -0.006 0.000 0.766 124 E HN 0.404 nan 8.360 nan 0.000 0.507 125 I N 0.626 121.058 120.570 -0.230 0.000 3.059 125 I HA -0.077 4.084 4.170 -0.014 0.000 0.270 125 I C 1.179 176.974 176.117 -0.536 0.000 1.238 125 I CA 0.103 61.212 61.300 -0.318 0.000 1.478 125 I CB 0.168 38.017 38.000 -0.251 0.000 1.097 125 I HN -0.052 nan 8.210 nan 0.000 0.455 126 E N 2.570 122.349 120.200 -0.702 0.000 2.324 126 E HA -0.013 4.329 4.350 -0.014 0.000 0.271 126 E C -0.058 176.426 176.600 -0.193 0.000 1.028 126 E CA -0.101 55.918 56.400 -0.635 0.000 0.890 126 E CB 0.575 29.988 29.700 -0.478 0.000 1.004 126 E HN 0.156 nan 8.360 nan 0.000 0.431 127 E N 3.271 123.448 120.200 -0.038 0.000 2.331 127 E HA 0.049 4.391 4.350 -0.014 0.000 0.272 127 E C -0.973 175.719 176.600 0.153 0.000 1.036 127 E CA -0.587 55.870 56.400 0.094 0.000 0.864 127 E CB 0.737 30.556 29.700 0.198 0.000 1.035 127 E HN 0.429 nan 8.360 nan 0.000 0.408 128 D N 1.741 122.210 120.400 0.116 0.000 2.443 128 D HA 0.153 4.785 4.640 -0.014 0.000 0.239 128 D C -0.766 175.592 176.300 0.097 0.000 1.136 128 D CA 0.315 54.366 54.000 0.085 0.000 0.879 128 D CB 0.875 41.702 40.800 0.046 0.000 1.195 128 D HN 0.422 nan 8.370 nan 0.000 0.443 129 A N 2.103 124.937 122.820 0.023 0.000 2.527 129 A HA 0.496 4.808 4.320 -0.014 0.000 0.313 129 A C 0.965 178.416 177.584 -0.220 0.000 1.410 129 A CA -0.425 51.450 52.037 -0.270 0.000 1.060 129 A CB -0.111 18.793 19.000 -0.159 0.000 1.137 129 A HN 0.557 nan 8.150 nan 0.000 0.542 130 G N 2.271 110.882 108.800 -0.315 0.000 4.178 130 G HA2 0.426 4.378 3.960 -0.014 0.000 0.287 130 G HA3 0.426 4.378 3.960 -0.014 0.000 0.287 130 G C 0.263 174.925 174.900 -0.398 0.000 1.293 130 G CA -0.298 44.699 45.100 -0.172 0.000 1.393 130 G HN 0.687 nan 8.290 nan 0.000 0.623 131 L N 1.326 122.372 121.223 -0.296 0.000 2.939 131 L HA 0.395 4.727 4.340 -0.014 0.000 0.239 131 L C 1.039 177.815 176.870 -0.157 0.000 1.325 131 L CA -0.218 54.526 54.840 -0.161 0.000 1.170 131 L CB -0.303 41.795 42.059 0.065 0.000 1.538 131 L HN 0.290 nan 8.230 nan 0.000 0.452 132 G N -1.278 107.203 108.800 -0.533 0.000 2.660 132 G HA2 0.230 4.181 3.960 -0.014 0.000 0.290 132 G HA3 0.230 4.181 3.960 -0.014 0.000 0.290 132 G C -0.187 174.244 174.900 -0.782 0.000 1.432 132 G CA -0.437 44.340 45.100 -0.539 0.000 0.807 132 G HN -0.059 nan 8.290 nan 0.000 0.485 133 N N -0.927 117.550 118.700 -0.371 0.000 2.482 133 N HA 0.228 4.959 4.740 -0.014 0.000 0.179 133 N C 1.112 176.617 175.510 -0.008 0.000 1.039 133 N CA 1.171 54.105 53.050 -0.193 0.000 0.884 133 N CB 1.529 40.006 38.487 -0.017 0.000 1.113 133 N HN 0.813 nan 8.380 nan 0.000 0.440 134 G N -0.494 108.385 108.800 0.132 0.000 2.927 134 G HA2 0.138 4.090 3.960 -0.014 0.000 0.111 134 G HA3 0.138 4.090 3.960 -0.014 0.000 0.111 134 G C 0.746 175.785 174.900 0.232 0.000 1.198 134 G CA 0.256 45.522 45.100 0.276 0.000 1.382 134 G HN 0.157 nan 8.290 nan 0.000 0.663 135 G N 0.479 109.361 108.800 0.137 0.000 2.476 135 G HA2 -0.094 3.858 3.960 -0.014 0.000 0.218 135 G HA3 -0.094 3.858 3.960 -0.014 0.000 0.218 135 G C 1.856 176.772 174.900 0.026 0.000 1.164 135 G CA 1.546 46.691 45.100 0.075 0.000 0.768 135 G HN 0.750 nan 8.290 nan 0.000 0.560 136 L N 0.469 121.676 121.223 -0.027 0.000 2.005 136 L HA 0.114 4.446 4.340 -0.014 0.000 0.207 136 L C 2.897 179.719 176.870 -0.080 0.000 1.072 136 L CA 1.880 56.615 54.840 -0.174 0.000 0.744 136 L CB -0.684 41.214 42.059 -0.269 0.000 0.895 136 L HN 0.258 nan 8.230 nan 0.000 0.433 137 G N -0.533 108.272 108.800 0.008 0.000 2.422 137 G HA2 -0.269 3.683 3.960 -0.014 0.000 0.218 137 G HA3 -0.269 3.683 3.960 -0.014 0.000 0.218 137 G C 1.707 176.699 174.900 0.153 0.000 1.146 137 G CA 0.321 45.453 45.100 0.054 0.000 0.769 137 G HN 0.194 nan 8.290 nan 0.000 0.547 138 R N -0.122 120.498 120.500 0.200 0.000 2.115 138 R HA 0.100 4.432 4.340 -0.014 0.000 0.226 138 R C 2.483 178.821 176.300 0.062 0.000 1.100 138 R CA 0.664 56.853 56.100 0.148 0.000 0.980 138 R CB -0.825 29.526 30.300 0.085 0.000 0.875 138 R HN 0.417 nan 8.270 nan 0.000 0.445 139 L N 0.704 121.899 121.223 -0.046 0.000 2.046 139 L HA -0.084 4.247 4.340 -0.014 0.000 0.208 139 L C 2.214 178.863 176.870 -0.368 0.000 1.077 139 L CA 2.172 56.857 54.840 -0.258 0.000 0.747 139 L CB -0.747 41.101 42.059 -0.352 0.000 0.896 139 L HN 0.160 nan 8.230 nan 0.000 0.432 140 A N -0.601 122.121 122.820 -0.163 0.000 1.940 140 A HA -0.174 4.138 4.320 -0.014 0.000 0.219 140 A C 2.431 180.148 177.584 0.222 0.000 1.176 140 A CA 1.938 53.991 52.037 0.025 0.000 0.631 140 A CB -1.141 17.875 19.000 0.027 0.000 0.814 140 A HN 0.578 nan 8.150 nan 0.000 0.446 141 A N -1.339 121.618 122.820 0.227 0.000 1.930 141 A HA -0.121 4.191 4.320 -0.014 0.000 0.217 141 A C 2.273 179.941 177.584 0.140 0.000 1.175 141 A CA 1.571 53.728 52.037 0.201 0.000 0.627 141 A CB -1.134 17.964 19.000 0.163 0.000 0.815 141 A HN 0.590 nan 8.150 nan 0.000 0.443 142 C N -1.623 117.770 119.300 0.154 0.000 2.450 142 C HA 0.006 4.458 4.460 -0.014 0.000 0.279 142 C C 2.379 177.541 174.990 0.286 0.000 1.335 142 C CA 0.393 59.533 59.018 0.204 0.000 1.749 142 C CB -1.552 26.338 27.740 0.250 0.000 1.963 142 C HN 0.605 nan 8.230 nan 0.000 0.501 143 F N 0.648 120.585 119.950 -0.022 0.000 2.102 143 F HA -0.067 4.452 4.527 -0.014 0.000 0.298 143 F C 2.100 177.834 175.800 -0.110 0.000 1.105 143 F CA 1.148 59.075 58.000 -0.123 0.000 1.239 143 F CB -1.301 37.484 39.000 -0.358 0.000 0.991 143 F HN 0.080 nan 8.300 nan 0.000 0.474 144 L N 0.235 121.529 121.223 0.117 0.000 2.042 144 L HA -0.232 4.100 4.340 -0.014 0.000 0.210 144 L C 2.369 179.239 176.870 -0.000 0.000 1.076 144 L CA 1.845 56.705 54.840 0.034 0.000 0.749 144 L CB -1.116 40.971 42.059 0.048 0.000 0.893 144 L HN 0.184 nan 8.230 nan 0.000 0.432 145 D N -1.208 119.203 120.400 0.018 0.000 2.104 145 D HA -0.175 4.457 4.640 -0.014 0.000 0.194 145 D C 1.898 178.201 176.300 0.004 0.000 0.994 145 D CA 1.620 55.616 54.000 -0.006 0.000 0.830 145 D CB 0.419 41.215 40.800 -0.005 0.000 0.959 145 D HN 0.324 nan 8.370 nan 0.000 0.452 146 S N -0.086 115.629 115.700 0.026 0.000 2.387 146 S HA -0.045 4.416 4.470 -0.014 0.000 0.226 146 S C 2.105 176.698 174.600 -0.012 0.000 1.026 146 S CA 0.612 58.818 58.200 0.010 0.000 0.972 146 S CB -0.084 63.124 63.200 0.014 0.000 0.814 146 S HN 0.348 nan 8.310 nan 0.000 0.477 147 M N 0.942 120.524 119.600 -0.030 0.000 2.279 147 M HA -0.063 4.409 4.480 -0.014 0.000 0.264 147 M C 2.310 178.591 176.300 -0.033 0.000 1.062 147 M CA 1.271 56.549 55.300 -0.036 0.000 1.099 147 M CB -0.437 32.120 32.600 -0.071 0.000 1.394 147 M HN 0.395 nan 8.290 nan 0.000 0.426 148 A N -0.467 122.334 122.820 -0.031 0.000 1.943 148 A HA -0.036 4.275 4.320 -0.014 0.000 0.213 148 A C 2.130 179.714 177.584 -0.000 0.000 1.181 148 A CA 1.344 53.367 52.037 -0.023 0.000 0.653 148 A CB -0.774 18.198 19.000 -0.047 0.000 0.833 148 A HN 0.352 nan 8.150 nan 0.000 0.451 149 T N 0.586 115.146 114.554 0.010 0.000 2.833 149 T HA -0.023 4.319 4.350 -0.014 0.000 0.269 149 T C 1.323 176.041 174.700 0.030 0.000 1.054 149 T CA 1.146 63.267 62.100 0.034 0.000 1.135 149 T CB -0.287 68.609 68.868 0.047 0.000 0.869 149 T HN 0.336 nan 8.240 nan 0.000 0.466 150 L N 0.433 121.669 121.223 0.021 0.000 2.629 150 L HA 0.311 4.643 4.340 -0.014 0.000 0.230 150 L C 1.514 178.401 176.870 0.029 0.000 1.151 150 L CA -0.114 54.741 54.840 0.025 0.000 0.924 150 L CB -0.382 41.692 42.059 0.025 0.000 1.137 150 L HN 0.382 nan 8.230 nan 0.000 0.457 151 G N 1.278 110.096 108.800 0.031 0.000 2.272 151 G HA2 -0.271 3.680 3.960 -0.014 0.000 0.280 151 G HA3 -0.271 3.680 3.960 -0.014 0.000 0.280 151 G C -0.099 174.822 174.900 0.035 0.000 1.067 151 G CA -0.033 45.099 45.100 0.053 0.000 0.902 151 G HN 0.266 nan 8.290 nan 0.000 0.500 152 L N -0.286 120.927 121.223 -0.017 0.000 2.322 152 L HA 0.691 5.023 4.340 -0.014 0.000 0.279 152 L C 1.081 177.794 176.870 -0.260 0.000 1.036 152 L CA -0.599 54.181 54.840 -0.101 0.000 0.807 152 L CB 1.875 43.890 42.059 -0.074 0.000 1.226 152 L HN 0.285 nan 8.230 nan 0.000 0.433 153 A N 2.848 125.375 122.820 -0.488 0.000 2.990 153 A HA 0.594 4.906 4.320 -0.014 0.000 0.282 153 A C 0.235 177.448 177.584 -0.620 0.000 1.688 153 A CA -0.155 51.313 52.037 -0.948 0.000 1.391 153 A CB -0.629 17.743 19.000 -1.048 0.000 1.112 153 A HN 0.689 nan 8.150 nan 0.000 0.588 154 A N 1.666 124.146 122.820 -0.566 0.000 2.350 154 A HA 0.784 5.096 4.320 -0.014 0.000 0.324 154 A C -1.185 176.058 177.584 -0.568 0.000 1.118 154 A CA -0.449 51.309 52.037 -0.465 0.000 0.783 154 A CB 0.807 19.632 19.000 -0.293 0.000 1.236 154 A HN 0.597 nan 8.150 nan 0.000 0.457 155 Y N 0.545 120.788 120.300 -0.094 0.000 2.338 155 Y HA 0.525 5.067 4.550 -0.013 0.000 0.333 155 Y C 0.883 176.898 175.900 0.191 0.000 0.968 155 Y CA -0.563 57.579 58.100 0.069 0.000 1.123 155 Y CB 2.152 40.791 38.460 0.299 0.000 1.165 155 Y HN 0.844 nan 8.280 nan 0.000 0.452 156 G N 2.206 111.090 108.800 0.140 0.000 2.370 156 G HA2 0.372 4.324 3.960 -0.014 0.000 0.272 156 G HA3 0.372 4.324 3.960 -0.014 0.000 0.272 156 G C -1.680 173.264 174.900 0.075 0.000 1.208 156 G CA -0.106 45.087 45.100 0.155 0.000 0.856 156 G HN 0.540 nan 8.290 nan 0.000 0.500 157 Y N 0.878 121.395 120.300 0.361 0.000 2.373 157 Y HA 0.598 5.140 4.550 -0.014 0.000 0.336 157 Y C 0.654 176.848 175.900 0.490 0.000 0.979 157 Y CA 0.212 58.503 58.100 0.320 0.000 1.080 157 Y CB 2.589 41.259 38.460 0.350 0.000 1.190 157 Y HN 0.917 nan 8.280 nan 0.000 0.446 158 G N 2.604 111.726 108.800 0.536 0.000 2.650 158 G HA2 0.544 4.495 3.960 -0.014 0.000 0.310 158 G HA3 0.544 4.495 3.960 -0.014 0.000 0.310 158 G C -1.819 173.316 174.900 0.391 0.000 1.270 158 G CA -0.825 44.624 45.100 0.581 0.000 0.810 158 G HN 0.428 nan 8.290 nan 0.000 0.493 159 I N 0.698 121.387 120.570 0.199 0.000 2.412 159 I HA 0.417 4.579 4.170 -0.014 0.000 0.296 159 I C 0.305 176.352 176.117 -0.118 0.000 0.987 159 I CA -0.719 60.595 61.300 0.024 0.000 1.180 159 I CB 2.031 39.837 38.000 -0.323 0.000 1.340 159 I HN 0.313 nan 8.210 nan 0.000 0.455 160 R N 6.321 126.854 120.500 0.054 0.000 2.419 160 R HA 0.237 4.569 4.340 -0.014 0.000 0.305 160 R C -1.361 175.029 176.300 0.150 0.000 1.242 160 R CA -0.413 55.757 56.100 0.116 0.000 1.105 160 R CB 0.016 30.350 30.300 0.057 0.000 1.116 160 R HN 0.404 nan 8.270 nan 0.000 0.523 161 Y N 1.753 122.213 120.300 0.266 0.000 2.359 161 Y HA -0.015 4.527 4.550 -0.014 0.000 0.330 161 Y C 1.527 177.600 175.900 0.289 0.000 1.143 161 Y CA -0.092 58.150 58.100 0.236 0.000 1.318 161 Y CB 1.110 39.681 38.460 0.185 0.000 1.234 161 Y HN 0.564 nan 8.280 nan 0.000 0.522 162 E N 1.055 121.446 120.200 0.318 0.000 2.442 162 E HA 0.057 4.399 4.350 -0.014 0.000 0.195 162 E C -0.824 175.657 176.600 -0.199 0.000 1.030 162 E CA 0.352 56.790 56.400 0.065 0.000 0.869 162 E CB 0.151 29.725 29.700 -0.210 0.000 0.857 162 E HN 0.361 nan 8.360 nan 0.000 0.505 163 F N 1.498 121.654 119.950 0.342 0.000 2.427 163 F HA 0.489 5.008 4.527 -0.014 0.000 0.348 163 F C 0.972 176.824 175.800 0.086 0.000 1.125 163 F CA -0.895 57.248 58.000 0.239 0.000 0.989 163 F CB 1.895 40.978 39.000 0.139 0.000 1.165 163 F HN -0.055 nan 8.300 nan 0.000 0.442 164 G N 2.083 110.934 108.800 0.085 0.000 2.546 164 G HA2 0.288 4.240 3.960 -0.014 0.000 0.239 164 G HA3 0.288 4.240 3.960 -0.014 0.000 0.239 164 G C -0.528 174.304 174.900 -0.112 0.000 1.476 164 G CA -0.550 44.453 45.100 -0.161 0.000 1.064 164 G HN 0.516 nan 8.290 nan 0.000 0.561 165 I N 1.020 121.459 120.570 -0.219 0.000 2.556 165 I HA 0.284 4.446 4.170 -0.014 0.000 0.284 165 I C 0.590 176.604 176.117 -0.173 0.000 1.114 165 I CA -1.208 59.947 61.300 -0.242 0.000 1.418 165 I CB -0.181 37.578 38.000 -0.403 0.000 1.394 165 I HN 0.364 nan 8.210 nan 0.000 0.552 166 F N 6.304 126.259 119.950 0.008 0.000 2.657 166 F HA 0.091 4.610 4.527 -0.013 0.000 0.354 166 F C 0.353 176.198 175.800 0.074 0.000 1.148 166 F CA -0.187 57.841 58.000 0.047 0.000 1.368 166 F CB -0.301 38.714 39.000 0.026 0.000 1.036 166 F HN 0.445 nan 8.300 nan 0.000 0.619 167 N N 2.250 121.121 118.700 0.286 0.000 2.455 167 N HA 0.085 4.817 4.740 -0.014 0.000 0.280 167 N C -0.852 174.871 175.510 0.355 0.000 1.055 167 N CA -0.425 52.756 53.050 0.219 0.000 0.961 167 N CB 1.395 40.002 38.487 0.201 0.000 1.121 167 N HN 0.757 nan 8.380 nan 0.000 0.476 168 Q N 2.250 122.240 119.800 0.316 0.000 2.261 168 Q HA 0.186 4.518 4.340 -0.014 0.000 0.252 168 Q C -0.924 175.225 176.000 0.249 0.000 0.915 168 Q CA -0.199 55.827 55.803 0.372 0.000 0.915 168 Q CB 0.794 29.753 28.738 0.367 0.000 1.204 168 Q HN 0.255 nan 8.270 nan 0.000 0.421 169 K N 3.991 124.512 120.400 0.201 0.000 2.316 169 K HA 0.436 4.748 4.320 -0.014 0.000 0.251 169 K C -0.845 175.829 176.600 0.123 0.000 0.934 169 K CA -0.933 55.444 56.287 0.150 0.000 0.802 169 K CB 1.574 34.147 32.500 0.122 0.000 1.171 169 K HN 0.611 nan 8.250 nan 0.000 0.426 170 I N 2.612 123.239 120.570 0.096 0.000 2.304 170 I HA 0.187 4.349 4.170 -0.014 0.000 0.291 170 I C -0.102 176.052 176.117 0.061 0.000 1.018 170 I CA -0.790 60.542 61.300 0.053 0.000 1.260 170 I CB 0.408 38.413 38.000 0.010 0.000 1.390 170 I HN 0.428 nan 8.210 nan 0.000 0.475 171 C N 4.246 123.601 119.300 0.092 0.000 2.301 171 C HA 0.605 5.057 4.460 -0.014 0.000 0.323 171 C C 1.170 176.244 174.990 0.140 0.000 1.265 171 C CA -0.375 58.702 59.018 0.097 0.000 1.503 171 C CB 0.409 28.205 27.740 0.092 0.000 2.195 171 C HN 1.088 nan 8.230 nan 0.000 0.477 172 G N 2.395 111.248 108.800 0.088 0.000 2.179 172 G HA2 0.112 4.063 3.960 -0.014 0.000 0.257 172 G HA3 0.112 4.063 3.960 -0.014 0.000 0.257 172 G C 1.058 175.931 174.900 -0.046 0.000 1.010 172 G CA 0.918 46.070 45.100 0.088 0.000 0.736 172 G HN 2.336 nan 8.290 nan 0.000 0.513 173 G N -2.735 105.996 108.800 -0.115 0.000 2.199 173 G HA2 -0.291 3.661 3.960 -0.014 0.000 0.254 173 G HA3 -0.291 3.661 3.960 -0.014 0.000 0.254 173 G C 0.392 175.064 174.900 -0.380 0.000 0.982 173 G CA 0.595 45.513 45.100 -0.305 0.000 0.632 173 G HN 1.181 nan 8.290 nan 0.000 0.529 174 W N 1.014 122.257 121.300 -0.096 0.000 2.449 174 W HA 0.667 5.319 4.660 -0.013 0.000 0.331 174 W C 0.692 177.154 176.519 -0.096 0.000 1.119 174 W CA -0.877 56.406 57.345 -0.104 0.000 1.240 174 W CB 0.823 30.239 29.460 -0.074 0.000 1.251 174 W HN 0.233 nan 8.180 nan 0.000 0.576 175 Q N 2.212 122.119 119.800 0.177 0.000 2.332 175 Q HA 0.286 4.618 4.340 -0.014 0.000 0.263 175 Q C -0.928 175.119 176.000 0.079 0.000 0.979 175 Q CA -0.067 55.795 55.803 0.098 0.000 0.885 175 Q CB 0.627 29.414 28.738 0.081 0.000 1.218 175 Q HN 0.337 nan 8.270 nan 0.000 0.405 176 M N 3.347 122.985 119.600 0.064 0.000 2.243 176 M HA 0.315 4.787 4.480 -0.014 0.000 0.324 176 M C -1.445 174.859 176.300 0.007 0.000 1.031 176 M CA -0.463 54.848 55.300 0.019 0.000 0.949 176 M CB 1.964 34.592 32.600 0.047 0.000 1.615 176 M HN 0.502 nan 8.290 nan 0.000 0.430 177 E N 2.248 122.380 120.200 -0.114 0.000 2.197 177 E HA 0.476 4.817 4.350 -0.014 0.000 0.281 177 E C -0.681 175.904 176.600 -0.025 0.000 0.995 177 E CA -0.472 55.819 56.400 -0.180 0.000 0.808 177 E CB 0.932 30.242 29.700 -0.650 0.000 1.093 177 E HN 0.544 nan 8.360 nan 0.000 0.394 178 E N 1.262 121.535 120.200 0.121 0.000 2.312 178 E HA 0.732 5.074 4.350 -0.014 0.000 0.267 178 E C -0.986 175.707 176.600 0.156 0.000 0.894 178 E CA -1.490 54.971 56.400 0.102 0.000 0.773 178 E CB 1.412 31.176 29.700 0.107 0.000 1.241 178 E HN 0.425 nan 8.360 nan 0.000 0.432 179 A N 1.770 124.648 122.820 0.096 0.000 2.498 179 A HA 0.090 4.402 4.320 -0.014 0.000 0.239 179 A C -0.192 177.566 177.584 0.289 0.000 1.068 179 A CA 0.181 52.296 52.037 0.130 0.000 0.766 179 A CB 0.086 19.055 19.000 -0.052 0.000 1.003 179 A HN 0.694 nan 8.150 nan 0.000 0.497 180 D N 1.461 122.107 120.400 0.411 0.000 2.479 180 D HA 0.135 4.767 4.640 -0.014 0.000 0.218 180 D C -0.670 175.929 176.300 0.498 0.000 1.131 180 D CA -0.167 54.061 54.000 0.381 0.000 0.916 180 D CB 0.381 41.339 40.800 0.263 0.000 1.022 180 D HN 0.382 nan 8.370 nan 0.000 0.515 181 D N 4.410 125.067 120.400 0.428 0.000 2.619 181 D HA -0.011 4.620 4.640 -0.014 0.000 0.224 181 D C 1.053 177.506 176.300 0.255 0.000 1.133 181 D CA -0.437 53.747 54.000 0.306 0.000 1.017 181 D CB 0.083 41.056 40.800 0.288 0.000 1.077 181 D HN 0.631 nan 8.370 nan 0.000 0.503 182 W N 2.250 123.580 121.300 0.050 0.000 2.465 182 W HA -0.077 4.575 4.660 -0.013 0.000 0.268 182 W C 0.581 177.159 176.519 0.098 0.000 1.242 182 W CA 0.046 57.444 57.345 0.089 0.000 1.248 182 W CB -0.908 28.600 29.460 0.080 0.000 1.118 182 W HN 0.189 nan 8.180 nan 0.000 0.587 183 L N 0.831 121.740 121.223 -0.522 0.000 2.592 183 L HA 0.174 4.506 4.340 -0.014 0.000 0.227 183 L C 2.759 179.514 176.870 -0.191 0.000 1.127 183 L CA 0.059 54.583 54.840 -0.527 0.000 0.884 183 L CB -0.697 40.901 42.059 -0.769 0.000 1.065 183 L HN -0.108 nan 8.230 nan 0.000 0.457 184 R N 0.324 120.779 120.500 -0.076 0.000 2.140 184 R HA -0.256 4.076 4.340 -0.014 0.000 0.250 184 R C 1.600 177.759 176.300 -0.234 0.000 1.150 184 R CA 2.194 58.227 56.100 -0.110 0.000 0.966 184 R CB -0.193 30.092 30.300 -0.025 0.000 0.869 184 R HN 0.322 nan 8.270 nan 0.000 0.445 185 Y N -1.232 119.089 120.300 0.035 0.000 2.478 185 Y HA 0.304 4.846 4.550 -0.013 0.000 0.261 185 Y C 0.895 176.814 175.900 0.031 0.000 1.127 185 Y CA 0.598 58.733 58.100 0.059 0.000 1.288 185 Y CB 1.306 39.903 38.460 0.228 0.000 1.084 185 Y HN 0.386 nan 8.280 nan 0.000 0.530 186 G N 0.813 109.696 108.800 0.140 0.000 2.515 186 G HA2 -0.158 3.794 3.960 -0.014 0.000 0.686 186 G HA3 -0.158 3.794 3.960 -0.014 0.000 0.686 186 G C -1.566 173.413 174.900 0.132 0.000 1.274 186 G CA -0.902 44.250 45.100 0.086 0.000 0.874 186 G HN 0.101 nan 8.290 nan 0.000 0.631 187 N N 1.102 119.830 118.700 0.046 0.000 2.531 187 N HA 0.475 5.207 4.740 -0.014 0.000 0.268 187 N C -1.447 174.064 175.510 0.002 0.000 1.023 187 N CA -1.706 51.377 53.050 0.054 0.000 0.896 187 N CB 2.377 40.844 38.487 -0.032 0.000 1.233 187 N HN 0.253 nan 8.380 nan 0.000 0.512 188 P HA 0.039 nan 4.420 nan 0.000 0.239 188 P C 0.349 177.341 177.300 -0.513 0.000 1.184 188 P CA 0.625 63.385 63.100 -0.566 0.000 0.760 188 P CB -0.003 31.008 31.700 -1.149 0.000 0.884 189 W N 0.977 122.293 121.300 0.026 0.000 2.915 189 W HA 0.125 4.777 4.660 -0.013 0.000 0.276 189 W C 1.178 177.743 176.519 0.077 0.000 1.215 189 W CA -0.457 56.901 57.345 0.020 0.000 1.514 189 W CB 0.243 29.709 29.460 0.010 0.000 1.017 189 W HN -0.089 nan 8.180 nan 0.000 0.598 190 E N 1.850 122.227 120.200 0.294 0.000 2.318 190 E HA 0.339 4.681 4.350 -0.014 0.000 0.265 190 E C -0.587 176.187 176.600 0.291 0.000 1.069 190 E CA -0.627 55.953 56.400 0.301 0.000 0.893 190 E CB 1.433 31.320 29.700 0.311 0.000 1.076 190 E HN -0.323 nan 8.360 nan 0.000 0.414 191 K N 1.462 122.045 120.400 0.304 0.000 2.616 191 K HA 0.388 4.700 4.320 -0.014 0.000 0.241 191 K C -1.144 175.497 176.600 0.069 0.000 0.961 191 K CA -0.411 55.996 56.287 0.199 0.000 0.942 191 K CB 1.251 33.876 32.500 0.209 0.000 1.153 191 K HN 0.672 nan 8.250 nan 0.000 0.452 192 A N 3.852 126.626 122.820 -0.077 0.000 2.531 192 A HA 0.264 4.576 4.320 -0.014 0.000 0.236 192 A C -0.173 177.228 177.584 -0.305 0.000 1.062 192 A CA 0.113 51.812 52.037 -0.564 0.000 0.760 192 A CB 0.199 18.872 19.000 -0.546 0.000 0.995 192 A HN 0.672 nan 8.150 nan 0.000 0.501 193 R N 2.959 123.281 120.500 -0.296 0.000 2.835 193 R HA 0.197 4.529 4.340 -0.014 0.000 0.290 193 R C -2.350 173.913 176.300 -0.062 0.000 1.410 193 R CA -1.518 54.560 56.100 -0.036 0.000 1.590 193 R CB 0.766 31.221 30.300 0.259 0.000 1.288 193 R HN 0.591 nan 8.270 nan 0.000 0.637 194 P HA -0.129 nan 4.420 nan 0.000 0.220 194 P C 0.338 177.572 177.300 -0.110 0.000 1.148 194 P CA 1.053 64.102 63.100 -0.085 0.000 0.803 194 P CB 0.544 32.197 31.700 -0.078 0.000 0.782 195 E N 0.100 120.145 120.200 -0.258 0.000 2.147 195 E HA -0.174 4.168 4.350 -0.014 0.000 0.199 195 E C 0.934 177.305 176.600 -0.383 0.000 1.005 195 E CA 1.237 57.389 56.400 -0.412 0.000 0.810 195 E CB -1.206 28.026 29.700 -0.781 0.000 0.736 195 E HN 0.388 nan 8.360 nan 0.000 0.460 196 F N 0.923 120.881 119.950 0.013 0.000 2.798 196 F HA 0.234 4.753 4.527 -0.013 0.000 0.291 196 F C 0.382 176.262 175.800 0.134 0.000 1.174 196 F CA -0.248 57.788 58.000 0.060 0.000 1.392 196 F CB -0.482 38.547 39.000 0.049 0.000 0.966 196 F HN -0.283 nan 8.300 nan 0.000 0.509 197 T N 2.131 116.815 114.554 0.217 0.000 2.856 197 T HA 0.376 4.718 4.350 -0.014 0.000 0.306 197 T C -0.311 174.495 174.700 0.176 0.000 1.062 197 T CA 0.178 62.416 62.100 0.230 0.000 1.083 197 T CB 0.983 69.942 68.868 0.152 0.000 0.984 197 T HN -0.138 nan 8.240 nan 0.000 0.542 198 L N 3.457 124.757 121.223 0.127 0.000 2.434 198 L HA 0.543 4.875 4.340 -0.014 0.000 0.260 198 L C -2.352 174.493 176.870 -0.042 0.000 0.983 198 L CA -2.449 52.404 54.840 0.021 0.000 0.820 198 L CB 2.188 44.207 42.059 -0.068 0.000 1.361 198 L HN 0.393 nan 8.230 nan 0.000 0.410 199 P HA 0.407 nan 4.420 nan 0.000 0.286 199 P C -1.170 175.989 177.300 -0.235 0.000 1.261 199 P CA -0.393 62.618 63.100 -0.148 0.000 0.821 199 P CB 2.032 33.625 31.700 -0.179 0.000 1.013 200 V N 3.664 123.417 119.914 -0.268 0.000 2.656 200 V HA 0.328 4.439 4.120 -0.014 0.000 0.307 200 V C 0.083 175.905 176.094 -0.453 0.000 1.051 200 V CA -0.612 61.509 62.300 -0.299 0.000 0.893 200 V CB 1.608 33.319 31.823 -0.186 0.000 0.999 200 V HN 0.619 nan 8.190 nan 0.000 0.426 201 H N 3.711 122.569 119.070 -0.353 0.000 2.499 201 H HA 0.608 5.156 4.556 -0.014 0.000 0.340 201 H C -1.351 173.548 175.328 -0.715 0.000 1.148 201 H CA -0.173 55.559 56.048 -0.527 0.000 1.215 201 H CB 1.958 31.216 29.762 -0.841 0.000 1.529 201 H HN 0.436 nan 8.280 nan 0.000 0.510 202 F N 0.273 120.197 119.950 -0.043 0.000 2.603 202 F HA 0.209 4.728 4.527 -0.014 0.000 0.317 202 F C -0.133 175.686 175.800 0.032 0.000 1.066 202 F CA -0.605 57.363 58.000 -0.053 0.000 0.941 202 F CB 0.785 39.682 39.000 -0.171 0.000 1.291 202 F HN 0.564 nan 8.300 nan 0.000 0.472 203 Y N 0.304 120.842 120.300 0.397 0.000 2.885 203 Y HA 0.006 4.548 4.550 -0.013 0.000 0.466 203 Y C 1.380 177.454 175.900 0.290 0.000 1.189 203 Y CA 0.824 59.086 58.100 0.269 0.000 2.539 203 Y CB -1.842 36.705 38.460 0.146 0.000 1.224 203 Y HN 1.289 nan 8.280 nan 0.000 0.631 204 G N 0.360 109.352 108.800 0.319 0.000 2.568 204 G HA2 0.228 4.179 3.960 -0.014 0.000 0.222 204 G HA3 0.228 4.179 3.960 -0.014 0.000 0.222 204 G C -0.686 174.368 174.900 0.258 0.000 1.321 204 G CA 0.760 45.963 45.100 0.173 0.000 0.893 204 G HN 1.385 nan 8.290 nan 0.000 0.569 205 R N -2.843 117.816 120.500 0.266 0.000 2.741 205 R HA 0.685 5.016 4.340 -0.014 0.000 0.274 205 R C -1.663 174.773 176.300 0.227 0.000 1.029 205 R CA -0.983 55.246 56.100 0.215 0.000 0.880 205 R CB 1.141 31.508 30.300 0.112 0.000 1.264 205 R HN 0.984 nan 8.270 nan 0.000 0.465 206 V N 1.165 121.131 119.914 0.086 0.000 2.384 206 V HA 0.336 4.448 4.120 -0.014 0.000 0.287 206 V C -0.423 175.575 176.094 -0.160 0.000 1.020 206 V CA -0.580 61.689 62.300 -0.052 0.000 0.850 206 V CB 1.446 33.185 31.823 -0.139 0.000 0.987 206 V HN 0.636 nan 8.190 nan 0.000 0.436 207 E N 3.710 123.807 120.200 -0.173 0.000 2.175 207 E HA 0.405 4.747 4.350 -0.014 0.000 0.278 207 E C -0.922 175.517 176.600 -0.268 0.000 0.969 207 E CA -0.705 55.612 56.400 -0.138 0.000 0.796 207 E CB 1.226 30.899 29.700 -0.044 0.000 1.104 207 E HN 0.615 nan 8.360 nan 0.000 0.395 208 H N 2.296 121.382 119.070 0.027 0.000 2.640 208 H HA 0.199 4.747 4.556 -0.014 0.000 0.297 208 H C -0.435 174.904 175.328 0.019 0.000 1.073 208 H CA -0.187 55.873 56.048 0.020 0.000 1.305 208 H CB 0.816 30.587 29.762 0.015 0.000 1.404 208 H HN 0.428 nan 8.280 nan 0.000 0.459 209 T N 0.414 115.028 114.554 0.099 0.000 2.930 209 T HA 0.286 4.628 4.350 -0.014 0.000 0.313 209 T C 0.943 175.677 174.700 0.057 0.000 1.019 209 T CA -0.525 61.614 62.100 0.064 0.000 1.004 209 T CB 1.377 70.265 68.868 0.033 0.000 0.987 209 T HN 0.563 nan 8.240 nan 0.000 0.456 210 S N 2.353 118.086 115.700 0.054 0.000 2.395 210 S HA -0.345 4.117 4.470 -0.014 0.000 0.352 210 S C 1.032 175.656 174.600 0.040 0.000 1.154 210 S CA 2.043 60.267 58.200 0.041 0.000 2.485 210 S CB -1.090 62.129 63.200 0.032 0.000 2.219 210 S HN 0.797 nan 8.310 nan 0.000 0.539 211 Q N 1.744 121.568 119.800 0.039 0.000 2.182 211 Q HA 0.549 4.881 4.340 -0.014 0.000 0.305 211 Q C -0.029 175.996 176.000 0.042 0.000 0.880 211 Q CA 0.788 56.614 55.803 0.038 0.000 1.131 211 Q CB 1.010 29.766 28.738 0.030 0.000 1.237 211 Q HN 0.840 nan 8.270 nan 0.000 0.447 212 G N -0.937 107.897 108.800 0.057 0.000 2.358 212 G HA2 0.471 4.423 3.960 -0.014 0.000 0.303 212 G HA3 0.471 4.423 3.960 -0.014 0.000 0.303 212 G C -1.544 173.399 174.900 0.071 0.000 1.537 212 G CA -0.386 44.750 45.100 0.060 0.000 0.928 212 G HN 0.208 nan 8.290 nan 0.000 0.656 213 A N 0.579 123.443 122.820 0.073 0.000 2.340 213 A HA 0.826 5.138 4.320 -0.014 0.000 0.268 213 A C 0.253 177.806 177.584 -0.051 0.000 1.100 213 A CA -0.122 51.898 52.037 -0.028 0.000 0.803 213 A CB 0.728 19.711 19.000 -0.029 0.000 1.043 213 A HN 0.662 nan 8.150 nan 0.000 0.488 214 K N 0.642 120.993 120.400 -0.082 0.000 2.427 214 K HA 0.263 4.575 4.320 -0.014 0.000 0.252 214 K C -1.777 174.850 176.600 0.046 0.000 0.931 214 K CA -0.372 55.907 56.287 -0.013 0.000 0.793 214 K CB 2.213 34.705 32.500 -0.013 0.000 1.211 214 K HN 0.714 nan 8.250 nan 0.000 0.426 215 W N 4.242 125.457 121.300 -0.142 0.000 2.316 215 W HA 0.429 5.080 4.660 -0.014 0.000 0.308 215 W C -1.222 175.218 176.519 -0.131 0.000 1.106 215 W CA -0.670 56.592 57.345 -0.138 0.000 1.262 215 W CB 0.650 30.017 29.460 -0.154 0.000 1.233 215 W HN 0.197 nan 8.180 nan 0.000 0.447 216 V N 6.641 126.541 119.914 -0.022 0.000 2.960 216 V HA 0.312 4.424 4.120 -0.014 0.000 0.315 216 V C -0.463 175.561 176.094 -0.117 0.000 1.087 216 V CA -0.638 61.613 62.300 -0.082 0.000 0.982 216 V CB 2.140 33.957 31.823 -0.010 0.000 1.039 216 V HN 0.493 nan 8.190 nan 0.000 0.437 217 D N 1.180 121.517 120.400 -0.104 0.000 2.772 217 D HA -0.130 4.502 4.640 -0.014 0.000 0.233 217 D C 0.488 176.719 176.300 -0.116 0.000 1.143 217 D CA 1.437 55.384 54.000 -0.089 0.000 0.700 217 D CB -1.231 39.551 40.800 -0.030 0.000 1.076 217 D HN 0.851 nan 8.370 nan 0.000 0.430 218 T N -3.109 111.323 114.554 -0.203 0.000 2.899 218 T HA 0.383 4.725 4.350 -0.014 0.000 0.284 218 T C 0.309 174.970 174.700 -0.066 0.000 1.004 218 T CA -0.845 61.144 62.100 -0.185 0.000 1.043 218 T CB 2.503 71.072 68.868 -0.498 0.000 1.013 218 T HN 0.201 nan 8.240 nan 0.000 0.518 219 Q N 0.870 120.709 119.800 0.065 0.000 2.259 219 Q HA 0.473 4.804 4.340 -0.014 0.000 0.246 219 Q C -1.395 174.656 176.000 0.085 0.000 0.920 219 Q CA -0.772 55.080 55.803 0.081 0.000 0.895 219 Q CB 1.097 29.984 28.738 0.248 0.000 1.220 219 Q HN 0.616 nan 8.270 nan 0.000 0.439 220 V N 4.559 124.491 119.914 0.029 0.000 2.384 220 V HA 0.337 4.449 4.120 -0.014 0.000 0.287 220 V C -0.430 175.709 176.094 0.076 0.000 1.020 220 V CA -0.550 61.715 62.300 -0.059 0.000 0.850 220 V CB 1.647 33.416 31.823 -0.091 0.000 0.987 220 V HN 0.611 nan 8.190 nan 0.000 0.436 221 V N 6.589 126.589 119.914 0.144 0.000 2.547 221 V HA 0.523 4.635 4.120 -0.014 0.000 0.299 221 V C -0.122 176.064 176.094 0.154 0.000 1.040 221 V CA -0.665 61.758 62.300 0.204 0.000 0.913 221 V CB 1.998 34.041 31.823 0.367 0.000 0.992 221 V HN 0.614 nan 8.190 nan 0.000 0.449 222 L N 3.411 124.733 121.223 0.165 0.000 2.309 222 L HA 0.790 5.122 4.340 -0.014 0.000 0.282 222 L C 0.238 177.284 176.870 0.294 0.000 1.036 222 L CA -0.544 54.392 54.840 0.160 0.000 0.806 222 L CB 1.632 43.767 42.059 0.127 0.000 1.220 222 L HN 0.723 nan 8.230 nan 0.000 0.429 223 A N 4.924 127.892 122.820 0.247 0.000 2.271 223 A HA 0.642 4.954 4.320 -0.014 0.000 0.317 223 A C -0.514 177.341 177.584 0.452 0.000 1.245 223 A CA -0.457 51.783 52.037 0.338 0.000 0.857 223 A CB 1.052 19.881 19.000 -0.286 0.000 1.175 223 A HN 0.793 nan 8.150 nan 0.000 0.512 224 M N 4.901 124.828 119.600 0.546 0.000 2.205 224 M HA 0.455 4.927 4.480 -0.014 0.000 0.344 224 M C -2.715 173.850 176.300 0.442 0.000 1.085 224 M CA -2.186 53.374 55.300 0.434 0.000 1.001 224 M CB 2.013 34.802 32.600 0.315 0.000 1.626 224 M HN 0.297 nan 8.290 nan 0.000 0.442 225 P HA 0.230 nan 4.420 nan 0.000 0.275 225 P C -1.858 175.397 177.300 -0.075 0.000 1.228 225 P CA 0.129 63.142 63.100 -0.145 0.000 0.786 225 P CB 0.357 31.866 31.700 -0.318 0.000 0.927 226 Y N 0.394 120.629 120.300 -0.109 0.000 2.329 226 Y HA 0.298 4.840 4.550 -0.014 0.000 0.328 226 Y C -0.192 175.687 175.900 -0.035 0.000 0.992 226 Y CA -0.516 57.580 58.100 -0.007 0.000 1.151 226 Y CB 1.274 39.762 38.460 0.047 0.000 1.150 226 Y HN 0.227 nan 8.280 nan 0.000 0.450 227 D N 2.038 122.534 120.400 0.159 0.000 2.198 227 D HA 0.414 5.046 4.640 -0.014 0.000 0.245 227 D C -0.475 176.016 176.300 0.317 0.000 1.079 227 D CA -0.131 53.993 54.000 0.207 0.000 0.854 227 D CB 1.670 42.643 40.800 0.287 0.000 1.148 227 D HN 0.346 nan 8.370 nan 0.000 0.456 228 T N 3.175 117.818 114.554 0.148 0.000 2.829 228 T HA 0.485 4.827 4.350 -0.014 0.000 0.280 228 T C -2.512 171.996 174.700 -0.321 0.000 0.999 228 T CA -1.487 60.611 62.100 -0.002 0.000 0.983 228 T CB 2.027 70.895 68.868 -0.001 0.000 0.968 228 T HN 0.190 nan 8.240 nan 0.000 0.446 229 P HA 0.320 nan 4.420 nan 0.000 0.280 229 P C -0.955 175.998 177.300 -0.580 0.000 1.244 229 P CA -0.414 62.000 63.100 -1.143 0.000 0.784 229 P CB 0.932 31.751 31.700 -1.469 0.000 0.913 230 V N 6.192 125.830 119.914 -0.460 0.000 2.275 230 V HA 0.240 4.352 4.120 -0.014 0.000 0.272 230 V C -1.848 174.100 176.094 -0.244 0.000 1.028 230 V CA -1.917 60.209 62.300 -0.290 0.000 0.810 230 V CB 1.165 32.862 31.823 -0.211 0.000 1.043 230 V HN 0.561 nan 8.190 nan 0.000 0.453 231 P HA 0.238 nan 4.420 nan 0.000 0.281 231 P C 0.348 177.591 177.300 -0.095 0.000 1.252 231 P CA 0.284 63.291 63.100 -0.155 0.000 0.778 231 P CB 1.667 33.276 31.700 -0.152 0.000 0.895 232 G N 2.561 111.325 108.800 -0.060 0.000 2.616 232 G HA2 0.124 4.076 3.960 -0.014 0.000 0.268 232 G HA3 0.124 4.076 3.960 -0.014 0.000 0.268 232 G C -1.172 173.740 174.900 0.021 0.000 1.213 232 G CA -0.477 44.616 45.100 -0.011 0.000 0.926 232 G HN 0.501 nan 8.290 nan 0.000 0.523 233 Y N 0.244 120.503 120.300 -0.068 0.000 2.531 233 Y HA 0.306 4.848 4.550 -0.014 0.000 0.347 233 Y C 1.255 177.118 175.900 -0.061 0.000 1.024 233 Y CA -0.284 57.773 58.100 -0.071 0.000 1.306 233 Y CB 0.260 38.675 38.460 -0.074 0.000 1.149 233 Y HN 0.687 nan 8.280 nan 0.000 0.527 234 R N 3.118 123.313 120.500 -0.507 0.000 3.387 234 R HA -0.314 4.018 4.340 -0.014 0.000 0.254 234 R C -0.058 176.122 176.300 -0.201 0.000 1.006 234 R CA 1.473 57.319 56.100 -0.424 0.000 0.677 234 R CB -1.756 28.132 30.300 -0.687 0.000 1.063 234 R HN 0.948 nan 8.270 nan 0.000 0.453 235 N N -1.711 116.917 118.700 -0.120 0.000 2.143 235 N HA 0.066 4.798 4.740 -0.014 0.000 0.222 235 N C -0.323 175.148 175.510 -0.064 0.000 1.264 235 N CA -0.379 52.628 53.050 -0.071 0.000 0.897 235 N CB 0.598 39.065 38.487 -0.033 0.000 1.092 235 N HN 0.100 nan 8.380 nan 0.000 0.516 236 N N -0.194 118.465 118.700 -0.069 0.000 2.782 236 N HA -0.126 4.606 4.740 -0.014 0.000 0.251 236 N C -1.165 174.309 175.510 -0.060 0.000 1.101 236 N CA 0.574 53.589 53.050 -0.058 0.000 0.764 236 N CB -1.423 37.030 38.487 -0.057 0.000 1.122 236 N HN 0.209 nan 8.380 nan 0.000 0.561 237 V N 1.075 120.958 119.914 -0.053 0.000 2.394 237 V HA 0.483 4.595 4.120 -0.014 0.000 0.282 237 V C 0.406 176.472 176.094 -0.047 0.000 1.031 237 V CA -0.569 61.706 62.300 -0.041 0.000 0.881 237 V CB 2.185 34.004 31.823 -0.006 0.000 0.982 237 V HN -0.033 nan 8.190 nan 0.000 0.451 238 V N 5.792 125.681 119.914 -0.040 0.000 2.419 238 V HA 0.438 4.550 4.120 -0.014 0.000 0.287 238 V C -0.061 175.994 176.094 -0.066 0.000 1.017 238 V CA -0.766 61.467 62.300 -0.112 0.000 0.844 238 V CB 1.550 33.296 31.823 -0.129 0.000 1.011 238 V HN 0.845 nan 8.190 nan 0.000 0.429 239 N N 2.072 120.706 118.700 -0.109 0.000 2.431 239 N HA 0.575 5.307 4.740 -0.014 0.000 0.289 239 N C -0.056 175.402 175.510 -0.086 0.000 1.277 239 N CA -0.278 52.740 53.050 -0.055 0.000 0.972 239 N CB 0.944 39.367 38.487 -0.105 0.000 1.143 239 N HN 0.575 nan 8.380 nan 0.000 0.578 240 T N 0.650 115.182 114.554 -0.036 0.000 2.881 240 T HA 0.373 4.715 4.350 -0.014 0.000 0.290 240 T C -0.421 174.241 174.700 -0.064 0.000 1.000 240 T CA -0.507 61.643 62.100 0.083 0.000 0.978 240 T CB 1.102 70.164 68.868 0.323 0.000 0.997 240 T HN 0.307 nan 8.240 nan 0.000 0.443 241 M N 3.980 123.501 119.600 -0.132 0.000 2.055 241 M HA 0.461 4.932 4.480 -0.014 0.000 0.347 241 M C -0.292 175.840 176.300 -0.280 0.000 1.123 241 M CA -0.695 54.446 55.300 -0.264 0.000 1.035 241 M CB 0.381 32.782 32.600 -0.330 0.000 1.484 241 M HN 0.481 nan 8.290 nan 0.000 0.428 242 R N 4.478 124.688 120.500 -0.483 0.000 2.265 242 R HA 0.594 4.926 4.340 -0.014 0.000 0.319 242 R C -1.961 174.012 176.300 -0.546 0.000 1.006 242 R CA -0.547 55.208 56.100 -0.575 0.000 0.880 242 R CB 0.942 30.699 30.300 -0.905 0.000 1.077 242 R HN 0.659 nan 8.270 nan 0.000 0.454 243 L N 5.484 126.489 121.223 -0.364 0.000 2.381 243 L HA 0.481 4.813 4.340 -0.014 0.000 0.274 243 L C -1.354 175.458 176.870 -0.097 0.000 0.988 243 L CA -0.390 54.359 54.840 -0.151 0.000 0.824 243 L CB 1.437 43.502 42.059 0.011 0.000 1.263 243 L HN 0.646 nan 8.230 nan 0.000 0.410 244 W N 2.286 123.698 121.300 0.187 0.000 2.438 244 W HA 0.677 5.329 4.660 -0.013 0.000 0.324 244 W C 0.444 177.184 176.519 0.367 0.000 1.119 244 W CA -0.385 57.098 57.345 0.230 0.000 1.221 244 W CB 1.605 31.051 29.460 -0.023 0.000 1.253 244 W HN 0.364 nan 8.180 nan 0.000 0.555 245 S N 1.169 117.274 115.700 0.675 0.000 2.501 245 S HA 0.785 5.247 4.470 -0.014 0.000 0.301 245 S C -0.448 174.492 174.600 0.568 0.000 1.096 245 S CA -0.689 57.816 58.200 0.508 0.000 1.063 245 S CB 0.898 64.372 63.200 0.457 0.000 1.042 245 S HN 0.492 nan 8.310 nan 0.000 0.494 246 A N 3.791 126.787 122.820 0.294 0.000 2.301 246 A HA 0.768 5.079 4.320 -0.014 0.000 0.312 246 A C -0.324 177.355 177.584 0.158 0.000 1.182 246 A CA -0.439 51.683 52.037 0.141 0.000 0.826 246 A CB 0.579 19.419 19.000 -0.266 0.000 1.134 246 A HN 0.556 nan 8.150 nan 0.000 0.501 247 K N 0.896 121.401 120.400 0.174 0.000 2.501 247 K HA 0.608 4.920 4.320 -0.014 0.000 0.252 247 K C -0.613 176.056 176.600 0.115 0.000 0.934 247 K CA -0.402 55.970 56.287 0.143 0.000 0.797 247 K CB 2.137 34.735 32.500 0.165 0.000 1.270 247 K HN 0.892 nan 8.250 nan 0.000 0.431 248 A N 4.560 127.432 122.820 0.087 0.000 2.425 248 A HA 0.410 4.722 4.320 -0.014 0.000 0.249 248 A C -2.030 175.604 177.584 0.082 0.000 1.084 248 A CA -0.913 51.171 52.037 0.079 0.000 0.781 248 A CB -0.340 18.697 19.000 0.061 0.000 1.019 248 A HN 0.387 nan 8.150 nan 0.000 0.490 249 P HA 0.042 nan 4.420 nan 0.000 0.270 249 P C -0.145 177.200 177.300 0.076 0.000 1.223 249 P CA -0.249 62.901 63.100 0.083 0.000 0.785 249 P CB 0.651 32.410 31.700 0.099 0.000 0.923 250 N N 0.604 119.340 118.700 0.060 0.000 2.280 250 N HA -0.053 4.679 4.740 -0.014 0.000 0.192 250 N C 0.488 176.026 175.510 0.045 0.000 1.109 250 N CA 0.042 53.123 53.050 0.051 0.000 0.855 250 N CB -0.353 38.159 38.487 0.041 0.000 0.974 250 N HN 0.432 nan 8.380 nan 0.000 0.482 251 D N 0.829 121.255 120.400 0.044 0.000 2.142 251 D HA -0.089 4.543 4.640 -0.014 0.000 0.293 251 D C 1.220 177.546 176.300 0.043 0.000 1.133 251 D CA -0.368 53.629 54.000 -0.005 0.000 1.023 251 D CB -0.642 40.135 40.800 -0.039 0.000 1.111 251 D HN -0.101 nan 8.370 nan 0.000 0.424 252 F N 0.667 120.639 119.950 0.036 0.000 2.105 252 F HA -0.272 4.247 4.527 -0.014 0.000 0.294 252 F C 1.515 177.343 175.800 0.046 0.000 1.054 252 F CA 1.755 59.783 58.000 0.047 0.000 1.276 252 F CB -1.167 37.861 39.000 0.046 0.000 1.021 252 F HN 0.257 nan 8.300 nan 0.000 0.493 253 N N 0.755 119.591 118.700 0.227 0.000 3.188 253 N HA 0.260 4.992 4.740 -0.014 0.000 0.279 253 N C 0.429 175.990 175.510 0.085 0.000 1.213 253 N CA 0.017 53.146 53.050 0.131 0.000 1.138 253 N CB 0.094 38.641 38.487 0.100 0.000 1.417 253 N HN 0.087 nan 8.380 nan 0.000 0.526 254 L N 0.435 121.717 121.223 0.099 0.000 1.721 254 L HA -0.184 4.148 4.340 -0.014 0.000 0.263 254 L C 0.070 177.005 176.870 0.108 0.000 1.630 254 L CA 0.864 55.754 54.840 0.084 0.000 1.843 254 L CB -1.031 41.070 42.059 0.069 0.000 1.721 254 L HN 0.431 nan 8.230 nan 0.000 0.532 255 K N 1.568 121.997 120.400 0.048 0.000 3.120 255 K HA 0.088 4.400 4.320 -0.014 0.000 0.275 255 K C -0.061 176.539 176.600 0.000 0.000 0.914 255 K CA 0.502 56.778 56.287 -0.019 0.000 1.125 255 K CB -0.368 32.027 32.500 -0.175 0.000 1.053 255 K HN 0.204 nan 8.250 nan 0.000 0.450 256 D N 1.472 122.022 120.400 0.250 0.000 2.349 256 D HA 0.149 4.781 4.640 -0.014 0.000 0.232 256 D C -0.755 175.771 176.300 0.377 0.000 1.071 256 D CA -0.697 53.561 54.000 0.431 0.000 0.832 256 D CB 0.610 41.731 40.800 0.535 0.000 1.086 256 D HN 0.234 nan 8.370 nan 0.000 0.504 257 F N 1.410 121.409 119.950 0.082 0.000 2.611 257 F HA 0.576 5.095 4.527 -0.014 0.000 0.374 257 F C 0.033 175.863 175.800 0.049 0.000 1.110 257 F CA -1.837 56.195 58.000 0.054 0.000 1.090 257 F CB 0.015 39.032 39.000 0.029 0.000 1.388 257 F HN 0.405 nan 8.300 nan 0.000 0.501 258 N N -0.156 118.377 118.700 -0.278 0.000 3.053 258 N HA 0.075 4.807 4.740 -0.014 0.000 0.252 258 N C -1.727 173.706 175.510 -0.130 0.000 1.092 258 N CA 0.551 53.408 53.050 -0.322 0.000 0.668 258 N CB -0.872 37.283 38.487 -0.554 0.000 1.009 258 N HN 0.908 nan 8.380 nan 0.000 0.572 259 V N -2.055 117.838 119.914 -0.035 0.000 3.553 259 V HA -0.006 4.106 4.120 -0.014 0.000 0.508 259 V C 1.265 177.360 176.094 0.001 0.000 0.682 259 V CA 1.348 63.645 62.300 -0.005 0.000 2.060 259 V CB -1.058 30.754 31.823 -0.019 0.000 2.485 259 V HN 0.907 nan 8.190 nan 0.000 0.510 260 G N 1.330 110.142 108.800 0.019 0.000 4.386 260 G HA2 0.736 4.688 3.960 -0.014 0.000 0.183 260 G HA3 0.736 4.688 3.960 -0.014 0.000 0.183 260 G C 0.544 175.460 174.900 0.027 0.000 1.226 260 G CA 1.192 46.303 45.100 0.018 0.000 0.926 260 G HN 2.823 nan 8.290 nan 0.000 0.306 261 G N -1.339 107.489 108.800 0.047 0.000 2.318 261 G HA2 0.423 4.375 3.960 -0.014 0.000 0.302 261 G HA3 0.423 4.375 3.960 -0.014 0.000 0.302 261 G C -0.204 174.748 174.900 0.087 0.000 1.633 261 G CA 0.358 45.497 45.100 0.066 0.000 0.965 261 G HN 1.040 nan 8.290 nan 0.000 0.698 262 Y N 2.212 122.528 120.300 0.026 0.000 2.184 262 Y HA 0.031 4.573 4.550 -0.013 0.000 0.290 262 Y C 2.510 178.425 175.900 0.026 0.000 1.129 262 Y CA 2.071 60.188 58.100 0.029 0.000 1.144 262 Y CB 0.025 38.500 38.460 0.025 0.000 0.995 262 Y HN 0.431 nan 8.280 nan 0.000 0.513 263 I N 0.502 121.038 120.570 -0.056 0.000 2.127 263 I HA -0.311 3.851 4.170 -0.014 0.000 0.241 263 I C 2.404 178.445 176.117 -0.127 0.000 1.075 263 I CA 1.467 62.694 61.300 -0.122 0.000 1.334 263 I CB -1.455 36.556 38.000 0.018 0.000 1.040 263 I HN 0.345 nan 8.210 nan 0.000 0.405 264 Q N 0.658 120.424 119.800 -0.057 0.000 2.045 264 Q HA -0.196 4.136 4.340 -0.014 0.000 0.206 264 Q C 2.382 178.345 176.000 -0.063 0.000 0.991 264 Q CA 2.204 57.980 55.803 -0.044 0.000 0.851 264 Q CB -0.527 28.203 28.738 -0.014 0.000 0.911 264 Q HN 0.560 nan 8.270 nan 0.000 0.418 265 A N -0.007 122.770 122.820 -0.072 0.000 1.948 265 A HA -0.173 4.139 4.320 -0.014 0.000 0.220 265 A C 2.406 179.926 177.584 -0.107 0.000 1.177 265 A CA 1.891 53.888 52.037 -0.066 0.000 0.636 265 A CB -0.687 18.287 19.000 -0.044 0.000 0.815 265 A HN 0.251 nan 8.150 nan 0.000 0.449 266 V N -0.156 119.629 119.914 -0.214 0.000 2.453 266 V HA -0.177 3.935 4.120 -0.014 0.000 0.247 266 V C 2.442 178.475 176.094 -0.102 0.000 1.048 266 V CA 1.696 63.880 62.300 -0.194 0.000 1.049 266 V CB -0.569 31.061 31.823 -0.321 0.000 0.672 266 V HN 0.571 nan 8.190 nan 0.000 0.457 267 L N -0.434 120.737 121.223 -0.086 0.000 2.240 267 L HA -0.057 4.274 4.340 -0.014 0.000 0.211 267 L C 1.871 178.726 176.870 -0.026 0.000 1.106 267 L CA 0.970 55.783 54.840 -0.044 0.000 0.793 267 L CB -0.576 41.461 42.059 -0.037 0.000 0.927 267 L HN 0.308 nan 8.230 nan 0.000 0.446 268 D N 0.156 120.540 120.400 -0.027 0.000 2.378 268 D HA -0.064 4.568 4.640 -0.014 0.000 0.227 268 D C 2.094 178.392 176.300 -0.002 0.000 1.012 268 D CA 0.398 54.391 54.000 -0.012 0.000 0.905 268 D CB 0.024 40.819 40.800 -0.009 0.000 0.895 268 D HN 0.194 nan 8.370 nan 0.000 0.532 269 R N 0.434 120.931 120.500 -0.005 0.000 2.159 269 R HA -0.015 4.317 4.340 -0.014 0.000 0.237 269 R C 0.542 176.852 176.300 0.017 0.000 1.131 269 R CA 0.606 56.713 56.100 0.011 0.000 0.982 269 R CB -0.040 30.265 30.300 0.008 0.000 0.868 269 R HN 0.081 nan 8.270 nan 0.000 0.453 270 N N 0.879 119.587 118.700 0.013 0.000 3.259 270 N HA 0.006 4.738 4.740 -0.014 0.000 0.308 270 N C -0.011 175.506 175.510 0.011 0.000 1.334 270 N CA 0.327 53.388 53.050 0.019 0.000 1.202 270 N CB 0.877 39.379 38.487 0.024 0.000 1.485 270 N HN 0.086 nan 8.380 nan 0.000 0.549 271 L N -0.163 121.063 121.223 0.005 0.000 2.691 271 L HA 0.289 4.621 4.340 -0.014 0.000 0.185 271 L C 2.129 178.988 176.870 -0.019 0.000 1.081 271 L CA 0.646 55.483 54.840 -0.004 0.000 0.865 271 L CB -0.988 41.069 42.059 -0.003 0.000 1.370 271 L HN 0.141 nan 8.230 nan 0.000 0.488 272 A N -0.336 122.478 122.820 -0.010 0.000 1.972 272 A HA -0.180 4.132 4.320 -0.014 0.000 0.219 272 A C 1.885 179.448 177.584 -0.035 0.000 1.169 272 A CA 1.784 53.807 52.037 -0.023 0.000 0.635 272 A CB -0.447 18.569 19.000 0.027 0.000 0.810 272 A HN 0.536 nan 8.150 nan 0.000 0.446 273 E N -0.276 119.923 120.200 -0.002 0.000 2.481 273 E HA -0.038 4.304 4.350 -0.014 0.000 0.195 273 E C 0.917 177.523 176.600 0.010 0.000 1.047 273 E CA 0.023 56.430 56.400 0.011 0.000 0.867 273 E CB -0.073 29.654 29.700 0.045 0.000 0.858 273 E HN 0.463 nan 8.360 nan 0.000 0.513 274 N N 0.962 119.663 118.700 0.002 0.000 2.459 274 N HA -0.041 4.691 4.740 -0.014 0.000 0.181 274 N C 1.592 177.109 175.510 0.011 0.000 1.046 274 N CA 0.541 53.607 53.050 0.026 0.000 0.904 274 N CB 0.062 38.560 38.487 0.018 0.000 0.964 274 N HN 0.248 nan 8.380 nan 0.000 0.444 275 I N 0.443 120.962 120.570 -0.084 0.000 2.264 275 I HA -0.224 3.938 4.170 -0.014 0.000 0.248 275 I C 1.131 177.199 176.117 -0.082 0.000 1.111 275 I CA 1.128 62.336 61.300 -0.154 0.000 1.382 275 I CB -0.142 37.614 38.000 -0.407 0.000 1.060 275 I HN 0.107 nan 8.210 nan 0.000 0.418 276 S N -0.408 115.255 115.700 -0.063 0.000 2.583 276 S HA 0.174 4.636 4.470 -0.014 0.000 0.239 276 S C 1.495 176.239 174.600 0.240 0.000 0.966 276 S CA -0.507 57.750 58.200 0.094 0.000 0.973 276 S CB 0.091 63.346 63.200 0.091 0.000 0.794 276 S HN 0.304 nan 8.310 nan 0.000 0.463 277 R N 0.557 121.200 120.500 0.238 0.000 2.090 277 R HA 0.239 4.571 4.340 -0.014 0.000 0.228 277 R C 0.150 176.714 176.300 0.440 0.000 1.110 277 R CA 0.915 57.204 56.100 0.314 0.000 0.973 277 R CB 0.157 30.603 30.300 0.242 0.000 0.869 277 R HN 0.378 nan 8.270 nan 0.000 0.440 278 V N 0.788 120.920 119.914 0.362 0.000 2.851 278 V HA 0.253 4.365 4.120 -0.014 0.000 0.307 278 V C -1.341 174.727 176.094 -0.044 0.000 1.129 278 V CA -1.164 61.262 62.300 0.210 0.000 0.932 278 V CB 1.781 33.658 31.823 0.091 0.000 1.024 278 V HN 0.091 nan 8.190 nan 0.000 0.426 279 L N 6.624 127.562 121.223 -0.474 0.000 2.456 279 L HA 0.409 4.741 4.340 -0.014 0.000 0.272 279 L C -0.858 175.862 176.870 -0.249 0.000 1.189 279 L CA 0.548 54.924 54.840 -0.774 0.000 0.846 279 L CB 0.404 41.923 42.059 -0.901 0.000 1.111 279 L HN 0.675 nan 8.230 nan 0.000 0.475 280 Y N 5.965 126.188 120.300 -0.129 0.000 2.480 280 Y HA 0.237 4.779 4.550 -0.014 0.000 0.341 280 Y C -1.404 174.488 175.900 -0.014 0.000 1.031 280 Y CA -1.589 56.497 58.100 -0.023 0.000 1.295 280 Y CB 0.341 38.808 38.460 0.012 0.000 1.162 280 Y HN 0.547 nan 8.280 nan 0.000 0.523 281 P HA -0.019 nan 4.420 nan 0.000 0.258 281 P C -1.117 176.301 177.300 0.197 0.000 1.559 281 P CA 0.267 63.462 63.100 0.160 0.000 0.855 281 P CB -0.234 31.639 31.700 0.289 0.000 1.594 282 N N 0.917 119.737 118.700 0.201 0.000 2.417 282 N HA 0.183 4.915 4.740 -0.014 0.000 0.274 282 N C -0.751 174.897 175.510 0.229 0.000 0.987 282 N CA -0.615 52.576 53.050 0.234 0.000 0.912 282 N CB 1.420 40.084 38.487 0.295 0.000 1.177 282 N HN 0.025 nan 8.380 nan 0.000 0.490 283 D N 2.688 123.248 120.400 0.267 0.000 2.349 283 D HA 0.104 4.736 4.640 -0.014 0.000 0.232 283 D C -0.492 176.091 176.300 0.471 0.000 1.071 283 D CA -0.175 54.019 54.000 0.324 0.000 0.832 283 D CB 0.411 41.416 40.800 0.340 0.000 1.086 283 D HN 0.539 nan 8.370 nan 0.000 0.504 284 N N 3.014 121.922 118.700 0.348 0.000 2.727 284 N HA -0.248 4.484 4.740 -0.014 0.000 0.251 284 N C -1.250 174.508 175.510 0.414 0.000 1.040 284 N CA 0.661 53.892 53.050 0.302 0.000 0.712 284 N CB -1.091 37.500 38.487 0.172 0.000 0.912 284 N HN 0.427 nan 8.380 nan 0.000 0.545 285 F N 0.767 120.819 119.950 0.170 0.000 2.639 285 F HA 0.424 4.943 4.527 -0.014 0.000 0.320 285 F C -1.526 174.348 175.800 0.123 0.000 1.128 285 F CA -1.149 56.919 58.000 0.114 0.000 1.037 285 F CB 0.846 39.873 39.000 0.047 0.000 1.288 285 F HN -0.033 nan 8.300 nan 0.000 0.463 286 F N 5.994 125.504 119.950 -0.733 0.000 2.404 286 F HA 0.522 5.040 4.527 -0.014 0.000 0.354 286 F C -0.486 174.935 175.800 -0.632 0.000 1.122 286 F CA -0.192 57.475 58.000 -0.555 0.000 1.080 286 F CB 0.843 39.550 39.000 -0.490 0.000 1.131 286 F HN 0.451 nan 8.300 nan 0.000 0.471 287 E N 4.045 123.688 120.200 -0.929 0.000 2.129 287 E HA 0.262 4.604 4.350 -0.014 0.000 0.268 287 E C -0.020 175.841 176.600 -1.232 0.000 0.900 287 E CA -0.599 55.326 56.400 -0.791 0.000 0.755 287 E CB 1.586 31.134 29.700 -0.253 0.000 1.117 287 E HN 0.928 nan 8.360 nan 0.000 0.410 288 G N 3.550 111.652 108.800 -1.163 0.000 3.316 288 G HA2 0.037 3.989 3.960 -0.014 0.000 0.255 288 G HA3 0.037 3.989 3.960 -0.014 0.000 0.255 288 G C 0.232 175.028 174.900 -0.174 0.000 0.880 288 G CA -0.140 44.404 45.100 -0.926 0.000 1.956 288 G HN 0.065 nan 8.290 nan 0.000 0.634 289 K N 0.159 120.508 120.400 -0.084 0.000 2.143 289 K HA 0.245 4.557 4.320 -0.014 0.000 0.272 289 K C 1.210 177.936 176.600 0.209 0.000 1.001 289 K CA -0.758 55.586 56.287 0.094 0.000 0.915 289 K CB 1.717 34.279 32.500 0.102 0.000 1.047 289 K HN 0.289 nan 8.250 nan 0.000 0.458 290 E N 1.825 122.120 120.200 0.159 0.000 2.118 290 E HA -0.206 4.136 4.350 -0.014 0.000 0.195 290 E C 1.374 177.999 176.600 0.042 0.000 0.992 290 E CA 0.984 57.434 56.400 0.083 0.000 0.804 290 E CB 0.119 29.865 29.700 0.077 0.000 0.741 290 E HN 0.432 nan 8.360 nan 0.000 0.458 291 L N 1.200 122.484 121.223 0.102 0.000 2.187 291 L HA -0.159 4.173 4.340 -0.014 0.000 0.213 291 L C 2.317 179.267 176.870 0.133 0.000 1.100 291 L CA 1.481 56.396 54.840 0.125 0.000 0.765 291 L CB -0.357 41.842 42.059 0.234 0.000 0.904 291 L HN 0.011 nan 8.230 nan 0.000 0.437 292 R N -0.714 119.813 120.500 0.045 0.000 2.062 292 R HA -0.064 4.268 4.340 -0.014 0.000 0.229 292 R C 2.176 178.511 176.300 0.058 0.000 1.128 292 R CA 1.414 57.474 56.100 -0.066 0.000 0.960 292 R CB -1.041 29.110 30.300 -0.248 0.000 0.855 292 R HN 0.377 nan 8.270 nan 0.000 0.432 293 L N 1.730 122.905 121.223 -0.079 0.000 2.079 293 L HA -0.155 4.177 4.340 -0.014 0.000 0.210 293 L C 1.967 178.779 176.870 -0.097 0.000 1.081 293 L CA 1.892 56.487 54.840 -0.408 0.000 0.752 293 L CB -0.419 41.094 42.059 -0.910 0.000 0.896 293 L HN 0.051 nan 8.230 nan 0.000 0.433 294 K N -1.147 119.240 120.400 -0.021 0.000 2.026 294 K HA -0.191 4.121 4.320 -0.014 0.000 0.208 294 K C 2.095 178.825 176.600 0.217 0.000 1.048 294 K CA 1.713 58.046 56.287 0.077 0.000 0.929 294 K CB -0.192 32.210 32.500 -0.163 0.000 0.713 294 K HN 0.463 nan 8.250 nan 0.000 0.439 295 Q N 0.641 120.543 119.800 0.171 0.000 2.077 295 Q HA -0.234 4.098 4.340 -0.014 0.000 0.206 295 Q C 2.011 178.186 176.000 0.293 0.000 0.989 295 Q CA 1.703 57.662 55.803 0.259 0.000 0.853 295 Q CB -0.063 28.847 28.738 0.287 0.000 0.907 295 Q HN 0.372 nan 8.270 nan 0.000 0.418 296 E N -0.488 119.837 120.200 0.209 0.000 2.077 296 E HA -0.208 4.134 4.350 -0.014 0.000 0.193 296 E C 1.721 178.418 176.600 0.161 0.000 0.989 296 E CA 1.010 57.517 56.400 0.179 0.000 0.800 296 E CB -0.108 29.672 29.700 0.133 0.000 0.746 296 E HN 0.330 nan 8.360 nan 0.000 0.452 297 Y N 0.152 120.486 120.300 0.056 0.000 2.263 297 Y HA -0.183 4.359 4.550 -0.013 0.000 0.292 297 Y C 1.907 177.838 175.900 0.051 0.000 1.130 297 Y CA 1.008 59.102 58.100 -0.010 0.000 1.179 297 Y CB -0.369 38.066 38.460 -0.041 0.000 0.998 297 Y HN 0.034 nan 8.280 nan 0.000 0.532 298 F N -0.351 119.555 119.950 -0.072 0.000 2.126 298 F HA -0.205 4.314 4.527 -0.014 0.000 0.299 298 F C 2.415 178.055 175.800 -0.267 0.000 1.096 298 F CA 1.934 59.839 58.000 -0.160 0.000 1.255 298 F CB -0.884 38.185 39.000 0.115 0.000 0.997 298 F HN -0.060 nan 8.300 nan 0.000 0.479 299 V N -0.549 119.265 119.914 -0.166 0.000 2.548 299 V HA -0.142 3.970 4.120 -0.014 0.000 0.249 299 V C 2.108 178.029 176.094 -0.290 0.000 1.055 299 V CA 1.771 63.938 62.300 -0.222 0.000 1.065 299 V CB -0.336 31.576 31.823 0.150 0.000 0.681 299 V HN 0.240 nan 8.190 nan 0.000 0.462 300 V N 0.703 120.462 119.914 -0.258 0.000 2.295 300 V HA -0.185 3.927 4.120 -0.014 0.000 0.246 300 V C 2.878 178.711 176.094 -0.435 0.000 1.049 300 V CA 2.176 64.313 62.300 -0.273 0.000 1.024 300 V CB -1.128 30.592 31.823 -0.171 0.000 0.648 300 V HN 0.664 nan 8.190 nan 0.000 0.447 301 A N -0.038 122.356 122.820 -0.711 0.000 1.851 301 A HA -0.196 4.116 4.320 -0.014 0.000 0.216 301 A C 2.419 179.647 177.584 -0.595 0.000 1.195 301 A CA 2.558 54.173 52.037 -0.703 0.000 0.622 301 A CB -1.032 17.357 19.000 -1.019 0.000 0.831 301 A HN 0.586 nan 8.150 nan 0.000 0.444 302 A N -1.306 121.006 122.820 -0.847 0.000 1.855 302 A HA -0.070 4.242 4.320 -0.014 0.000 0.215 302 A C 2.310 179.435 177.584 -0.765 0.000 1.191 302 A CA 2.370 53.759 52.037 -1.080 0.000 0.613 302 A CB -1.493 16.266 19.000 -2.068 0.000 0.829 302 A HN 0.449 nan 8.150 nan 0.000 0.442 303 T N 0.498 114.726 114.554 -0.544 0.000 2.653 303 T HA -0.195 4.147 4.350 -0.014 0.000 0.268 303 T C 1.757 176.205 174.700 -0.419 0.000 1.035 303 T CA 1.721 63.610 62.100 -0.352 0.000 1.154 303 T CB -0.441 68.201 68.868 -0.377 0.000 0.862 303 T HN 0.328 nan 8.240 nan 0.000 0.441 304 L N 0.522 121.536 121.223 -0.348 0.000 2.275 304 L HA -0.107 4.224 4.340 -0.014 0.000 0.215 304 L C 2.829 179.585 176.870 -0.191 0.000 1.119 304 L CA 1.155 55.837 54.840 -0.264 0.000 0.790 304 L CB -0.377 41.561 42.059 -0.202 0.000 0.919 304 L HN 0.363 nan 8.230 nan 0.000 0.443 305 Q N -0.785 118.904 119.800 -0.185 0.000 2.123 305 Q HA -0.222 4.110 4.340 -0.014 0.000 0.199 305 Q C 1.563 177.537 176.000 -0.044 0.000 0.966 305 Q CA 1.619 57.365 55.803 -0.095 0.000 0.845 305 Q CB -0.050 28.630 28.738 -0.097 0.000 0.907 305 Q HN 0.444 nan 8.270 nan 0.000 0.439 306 D N 0.514 120.886 120.400 -0.046 0.000 2.144 306 D HA -0.073 4.559 4.640 -0.014 0.000 0.200 306 D C 1.651 177.884 176.300 -0.111 0.000 0.978 306 D CA 0.741 54.746 54.000 0.008 0.000 0.833 306 D CB 0.137 41.032 40.800 0.158 0.000 0.961 306 D HN 0.129 nan 8.370 nan 0.000 0.470 307 I N 0.093 120.493 120.570 -0.284 0.000 2.163 307 I HA -0.207 3.954 4.170 -0.014 0.000 0.240 307 I C 2.219 178.302 176.117 -0.057 0.000 1.081 307 I CA 0.797 61.853 61.300 -0.407 0.000 1.353 307 I CB -0.141 37.461 38.000 -0.664 0.000 1.054 307 I HN 0.067 nan 8.210 nan 0.000 0.407 308 I N 0.165 120.777 120.570 0.070 0.000 2.361 308 I HA -0.284 3.878 4.170 -0.014 0.000 0.251 308 I C 2.795 179.043 176.117 0.217 0.000 1.133 308 I CA 0.978 62.438 61.300 0.267 0.000 1.413 308 I CB -0.309 37.812 38.000 0.202 0.000 1.073 308 I HN 0.201 nan 8.210 nan 0.000 0.424 309 R N 0.886 121.453 120.500 0.112 0.000 2.080 309 R HA -0.202 4.129 4.340 -0.014 0.000 0.236 309 R C 2.434 178.787 176.300 0.088 0.000 1.137 309 R CA 1.715 57.870 56.100 0.092 0.000 0.943 309 R CB -0.208 30.131 30.300 0.066 0.000 0.846 309 R HN 0.282 nan 8.270 nan 0.000 0.431 310 R N -0.759 119.788 120.500 0.077 0.000 2.091 310 R HA -0.179 4.153 4.340 -0.014 0.000 0.238 310 R C 2.214 178.572 176.300 0.097 0.000 1.136 310 R CA 1.786 57.940 56.100 0.091 0.000 0.959 310 R CB -0.411 29.942 30.300 0.089 0.000 0.856 310 R HN 0.236 nan 8.270 nan 0.000 0.437 311 F N 1.770 121.695 119.950 -0.042 0.000 2.186 311 F HA -0.122 4.396 4.527 -0.014 0.000 0.299 311 F C 1.834 177.536 175.800 -0.164 0.000 1.090 311 F CA 1.439 59.345 58.000 -0.157 0.000 1.307 311 F CB 0.047 38.966 39.000 -0.136 0.000 1.019 311 F HN -0.196 nan 8.300 nan 0.000 0.489 312 K N -0.224 120.126 120.400 -0.082 0.000 2.211 312 K HA -0.089 4.223 4.320 -0.014 0.000 0.203 312 K C 2.145 178.681 176.600 -0.107 0.000 1.050 312 K CA 1.292 57.493 56.287 -0.144 0.000 0.945 312 K CB -0.131 32.388 32.500 0.031 0.000 0.732 312 K HN 0.251 nan 8.250 nan 0.000 0.451 313 S N 0.186 115.870 115.700 -0.027 0.000 2.311 313 S HA -0.075 4.387 4.470 -0.014 0.000 0.209 313 S C 1.315 175.928 174.600 0.021 0.000 1.029 313 S CA 0.511 58.735 58.200 0.040 0.000 0.968 313 S CB -0.170 63.108 63.200 0.131 0.000 0.946 313 S HN 0.302 nan 8.310 nan 0.000 0.450 314 S N 0.600 116.317 115.700 0.029 0.000 4.136 314 S HA -0.290 4.172 4.470 -0.014 0.000 0.539 314 S C 0.868 175.509 174.600 0.068 0.000 1.754 314 S CA 2.124 60.348 58.200 0.040 0.000 4.093 314 S CB -0.808 62.326 63.200 -0.109 0.000 1.066 314 S HN 0.461 nan 8.310 nan 0.000 0.491 315 K N -0.508 120.008 120.400 0.194 0.000 2.483 315 K HA 0.470 4.782 4.320 -0.014 0.000 0.206 315 K C 0.893 177.455 176.600 -0.063 0.000 1.086 315 K CA 0.095 56.392 56.287 0.017 0.000 1.052 315 K CB 0.104 32.567 32.500 -0.061 0.000 0.904 315 K HN 0.328 nan 8.250 nan 0.000 0.557 316 F N -0.340 119.485 119.950 -0.208 0.000 2.243 316 F HA 0.236 4.755 4.527 -0.014 0.000 0.287 316 F C 1.721 177.418 175.800 -0.173 0.000 1.067 316 F CA 0.432 58.290 58.000 -0.236 0.000 1.304 316 F CB -0.408 38.321 39.000 -0.451 0.000 1.087 316 F HN -0.028 nan 8.300 nan 0.000 0.513 317 G N -1.177 107.650 108.800 0.045 0.000 3.213 317 G HA2 0.359 4.311 3.960 -0.014 0.000 0.263 317 G HA3 0.359 4.311 3.960 -0.014 0.000 0.263 317 G C -0.090 174.822 174.900 0.020 0.000 0.829 317 G CA 0.317 45.426 45.100 0.016 0.000 1.983 317 G HN 0.457 nan 8.290 nan 0.000 0.616 318 C N -0.443 118.855 119.300 -0.002 0.000 3.641 318 C HA 0.233 4.685 4.460 -0.014 0.000 0.295 318 C C 1.242 176.207 174.990 -0.041 0.000 2.095 318 C CA 0.635 59.643 59.018 -0.017 0.000 1.576 318 C CB 0.179 27.900 27.740 -0.031 0.000 1.715 318 C HN 0.651 nan 8.230 nan 0.000 0.573 319 R N 1.232 121.683 120.500 -0.082 0.000 4.881 319 R HA 0.346 4.678 4.340 -0.014 0.000 0.095 319 R C 0.351 176.536 176.300 -0.192 0.000 0.840 319 R CA 1.239 57.274 56.100 -0.109 0.000 0.670 319 R CB -1.041 29.201 30.300 -0.097 0.000 0.923 319 R HN 0.363 nan 8.270 nan 0.000 0.368 320 D N 0.265 120.500 120.400 -0.275 0.000 4.230 320 D HA -0.177 4.455 4.640 -0.014 0.000 0.136 320 D C -1.388 174.769 176.300 -0.238 0.000 0.802 320 D CA 2.265 56.028 54.000 -0.395 0.000 1.112 320 D CB -1.897 38.363 40.800 -0.900 0.000 0.557 320 D HN 0.401 nan 8.370 nan 0.000 0.557 321 P HA 0.218 nan 4.420 nan 0.000 0.221 321 P C -0.117 177.152 177.300 -0.053 0.000 1.155 321 P CA 0.586 63.636 63.100 -0.083 0.000 0.812 321 P CB 0.393 32.072 31.700 -0.035 0.000 0.801 322 V N -0.303 119.581 119.914 -0.051 0.000 3.964 322 V HA -0.207 3.905 4.120 -0.014 0.000 0.444 322 V C -0.412 175.688 176.094 0.010 0.000 0.680 322 V CA 0.887 63.175 62.300 -0.020 0.000 1.854 322 V CB -1.229 30.577 31.823 -0.028 0.000 2.264 322 V HN 0.429 nan 8.190 nan 0.000 0.491 323 R N 2.242 122.760 120.500 0.030 0.000 4.584 323 R HA 0.300 4.632 4.340 -0.014 0.000 0.251 323 R C -0.520 175.824 176.300 0.072 0.000 0.957 323 R CA 0.133 56.265 56.100 0.054 0.000 1.195 323 R CB 0.669 31.006 30.300 0.061 0.000 1.233 323 R HN 0.477 nan 8.270 nan 0.000 0.630 324 T N 2.697 117.302 114.554 0.085 0.000 2.987 324 T HA 0.241 4.583 4.350 -0.014 0.000 0.288 324 T C -0.215 174.550 174.700 0.109 0.000 0.981 324 T CA -0.257 61.875 62.100 0.052 0.000 1.031 324 T CB -0.410 68.498 68.868 0.067 0.000 0.976 324 T HN 0.336 nan 8.240 nan 0.000 0.612 325 N N 1.838 120.610 118.700 0.119 0.000 2.437 325 N HA 0.294 5.026 4.740 -0.014 0.000 0.243 325 N C 0.189 175.816 175.510 0.196 0.000 1.041 325 N CA -0.448 52.715 53.050 0.188 0.000 0.940 325 N CB 0.447 39.041 38.487 0.179 0.000 1.133 325 N HN 0.427 nan 8.380 nan 0.000 0.506 326 F N 0.790 120.861 119.950 0.202 0.000 2.771 326 F HA -0.039 4.480 4.527 -0.014 0.000 0.299 326 F C 1.652 177.517 175.800 0.108 0.000 1.177 326 F CA 0.417 58.498 58.000 0.135 0.000 1.450 326 F CB 0.115 39.081 39.000 -0.056 0.000 1.114 326 F HN 0.567 nan 8.300 nan 0.000 0.587 327 D N 0.380 120.934 120.400 0.258 0.000 2.104 327 D HA -0.212 4.420 4.640 -0.014 0.000 0.194 327 D C 2.234 178.650 176.300 0.193 0.000 0.994 327 D CA 1.565 55.680 54.000 0.192 0.000 0.830 327 D CB -0.147 40.752 40.800 0.166 0.000 0.959 327 D HN 0.318 nan 8.370 nan 0.000 0.452 328 A N 0.153 123.140 122.820 0.278 0.000 2.235 328 A HA -0.043 4.269 4.320 -0.014 0.000 0.208 328 A C 1.690 179.339 177.584 0.110 0.000 1.172 328 A CA -0.042 52.167 52.037 0.288 0.000 0.786 328 A CB -0.761 18.580 19.000 0.568 0.000 0.804 328 A HN 0.148 nan 8.150 nan 0.000 0.479 329 F N 1.827 121.592 119.950 -0.309 0.000 2.091 329 F HA -0.113 4.406 4.527 -0.013 0.000 0.299 329 F C -0.787 174.819 175.800 -0.323 0.000 1.103 329 F CA 2.217 59.753 58.000 -0.773 0.000 1.228 329 F CB -0.880 37.782 39.000 -0.563 0.000 0.984 329 F HN 0.195 nan 8.300 nan 0.000 0.477 330 P HA -0.120 nan 4.420 nan 0.000 0.222 330 P C 0.627 177.884 177.300 -0.072 0.000 1.147 330 P CA 1.671 64.732 63.100 -0.065 0.000 0.790 330 P CB -0.066 31.627 31.700 -0.011 0.000 0.780 331 D N -1.360 119.023 120.400 -0.028 0.000 2.339 331 D HA 0.021 4.653 4.640 -0.014 0.000 0.217 331 D C 1.398 177.706 176.300 0.013 0.000 1.050 331 D CA 0.569 54.580 54.000 0.019 0.000 0.856 331 D CB 0.256 41.104 40.800 0.081 0.000 0.922 331 D HN 0.153 nan 8.370 nan 0.000 0.518 332 K N -0.047 120.312 120.400 -0.069 0.000 2.435 332 K HA 0.202 4.514 4.320 -0.014 0.000 0.199 332 K C 0.185 176.682 176.600 -0.172 0.000 1.153 332 K CA 0.184 56.434 56.287 -0.061 0.000 0.974 332 K CB 2.175 34.705 32.500 0.050 0.000 0.997 332 K HN -0.073 nan 8.250 nan 0.000 0.547 333 V N 1.109 120.826 119.914 -0.328 0.000 2.588 333 V HA 0.686 4.798 4.120 -0.014 0.000 0.304 333 V C -1.023 174.973 176.094 -0.163 0.000 1.042 333 V CA -1.316 60.791 62.300 -0.321 0.000 0.877 333 V CB 1.779 33.076 31.823 -0.876 0.000 0.996 333 V HN 0.115 nan 8.190 nan 0.000 0.425 334 A N 5.803 128.587 122.820 -0.060 0.000 2.335 334 A HA 0.889 5.201 4.320 -0.014 0.000 0.304 334 A C -0.781 176.822 177.584 0.031 0.000 1.118 334 A CA -0.507 51.533 52.037 0.005 0.000 0.757 334 A CB 1.136 20.107 19.000 -0.050 0.000 1.188 334 A HN 1.132 nan 8.150 nan 0.000 0.460 335 I N 0.641 121.281 120.570 0.117 0.000 2.406 335 I HA 0.697 4.859 4.170 -0.014 0.000 0.290 335 I C -0.689 175.526 176.117 0.163 0.000 0.999 335 I CA -0.608 60.774 61.300 0.137 0.000 1.124 335 I CB 1.790 39.849 38.000 0.100 0.000 1.289 335 I HN 0.586 nan 8.210 nan 0.000 0.441 336 Q N 5.704 125.607 119.800 0.172 0.000 2.257 336 Q HA 0.478 4.809 4.340 -0.014 0.000 0.255 336 Q C -1.546 174.488 176.000 0.058 0.000 0.920 336 Q CA -0.462 55.495 55.803 0.257 0.000 0.927 336 Q CB 1.560 30.601 28.738 0.506 0.000 1.229 336 Q HN 0.723 nan 8.270 nan 0.000 0.433 337 L N 4.177 125.462 121.223 0.102 0.000 2.257 337 L HA 0.353 4.685 4.340 -0.014 0.000 0.290 337 L C -0.374 176.537 176.870 0.068 0.000 1.044 337 L CA -0.241 54.633 54.840 0.057 0.000 0.810 337 L CB 0.696 42.823 42.059 0.114 0.000 1.193 337 L HN 0.625 nan 8.230 nan 0.000 0.425 338 N N 3.965 122.621 118.700 -0.073 0.000 2.521 338 N HA 0.207 4.939 4.740 -0.014 0.000 0.236 338 N C -0.253 175.269 175.510 0.019 0.000 1.067 338 N CA 0.338 53.400 53.050 0.019 0.000 0.939 338 N CB 0.027 38.436 38.487 -0.130 0.000 1.201 338 N HN 0.564 nan 8.380 nan 0.000 0.511 339 D N -0.018 120.487 120.400 0.176 0.000 4.808 339 D HA -0.219 4.413 4.640 -0.014 0.000 0.304 339 D C 0.254 176.598 176.300 0.073 0.000 2.360 339 D CA 1.444 55.526 54.000 0.138 0.000 1.222 339 D CB -0.530 40.089 40.800 -0.301 0.000 1.085 339 D HN 0.498 nan 8.370 nan 0.000 1.266 340 T N -2.087 112.462 114.554 -0.007 0.000 3.194 340 T HA 0.080 4.422 4.350 -0.014 0.000 0.251 340 T C 1.599 176.341 174.700 0.070 0.000 1.132 340 T CA 1.540 63.608 62.100 -0.053 0.000 1.028 340 T CB -0.587 68.216 68.868 -0.108 0.000 0.976 340 T HN 0.507 nan 8.240 nan 0.000 0.535 341 H N 2.299 121.441 119.070 0.121 0.000 2.421 341 H HA 0.034 4.582 4.556 -0.014 0.000 0.298 341 H C -0.860 174.537 175.328 0.115 0.000 1.087 341 H CA 0.617 56.751 56.048 0.143 0.000 1.330 341 H CB -0.591 29.255 29.762 0.140 0.000 1.388 341 H HN 0.442 nan 8.280 nan 0.000 0.526 342 P HA 0.088 nan 4.420 nan 0.000 0.257 342 P C 0.620 177.945 177.300 0.043 0.000 1.737 342 P CA 0.298 63.457 63.100 0.098 0.000 1.130 342 P CB 0.463 32.211 31.700 0.079 0.000 1.572 343 S N -0.475 115.242 115.700 0.028 0.000 2.447 343 S HA -0.099 4.363 4.470 -0.014 0.000 0.233 343 S C 1.716 176.308 174.600 -0.014 0.000 1.006 343 S CA 0.459 58.638 58.200 -0.035 0.000 0.957 343 S CB -0.998 62.153 63.200 -0.082 0.000 0.773 343 S HN 0.002 nan 8.310 nan 0.000 0.507 344 L N 1.821 123.053 121.223 0.015 0.000 2.450 344 L HA 0.220 4.552 4.340 -0.014 0.000 0.224 344 L C 2.653 179.549 176.870 0.043 0.000 1.149 344 L CA 0.644 55.497 54.840 0.022 0.000 0.816 344 L CB -1.699 40.377 42.059 0.028 0.000 0.932 344 L HN 0.475 nan 8.230 nan 0.000 0.449 345 A N -0.552 122.273 122.820 0.009 0.000 1.978 345 A HA -0.207 4.105 4.320 -0.014 0.000 0.220 345 A C 2.285 179.854 177.584 -0.024 0.000 1.170 345 A CA 1.734 53.761 52.037 -0.017 0.000 0.636 345 A CB -0.466 18.517 19.000 -0.029 0.000 0.810 345 A HN 0.434 nan 8.150 nan 0.000 0.448 346 I N 0.146 120.703 120.570 -0.023 0.000 2.162 346 I HA -0.109 4.053 4.170 -0.014 0.000 0.238 346 I C -0.319 175.800 176.117 0.004 0.000 1.076 346 I CA 1.173 62.453 61.300 -0.034 0.000 1.353 346 I CB -1.139 36.843 38.000 -0.031 0.000 1.063 346 I HN 0.224 nan 8.210 nan 0.000 0.408 347 P HA -0.188 nan 4.420 nan 0.000 0.218 347 P C 1.287 178.589 177.300 0.003 0.000 1.149 347 P CA 1.591 64.714 63.100 0.038 0.000 0.817 347 P CB 0.060 31.804 31.700 0.074 0.000 0.785 348 E N 0.383 120.657 120.200 0.124 0.000 2.047 348 E HA -0.158 4.184 4.350 -0.014 0.000 0.191 348 E C 1.976 178.545 176.600 -0.053 0.000 0.987 348 E CA 0.808 57.284 56.400 0.127 0.000 0.799 348 E CB -1.261 28.562 29.700 0.205 0.000 0.752 348 E HN 0.031 nan 8.360 nan 0.000 0.449 349 L N -0.113 121.053 121.223 -0.095 0.000 2.093 349 L HA -0.063 4.269 4.340 -0.014 0.000 0.208 349 L C 2.088 178.807 176.870 -0.252 0.000 1.085 349 L CA 1.560 56.284 54.840 -0.192 0.000 0.755 349 L CB -0.412 41.535 42.059 -0.186 0.000 0.904 349 L HN 0.227 nan 8.230 nan 0.000 0.435 350 M N -0.809 118.664 119.600 -0.212 0.000 2.159 350 M HA -0.210 4.262 4.480 -0.014 0.000 0.263 350 M C 2.419 178.551 176.300 -0.279 0.000 1.063 350 M CA 1.491 56.630 55.300 -0.269 0.000 1.110 350 M CB -1.109 31.352 32.600 -0.232 0.000 1.374 350 M HN 0.344 nan 8.290 nan 0.000 0.411 351 R N -0.042 120.307 120.500 -0.251 0.000 2.070 351 R HA -0.122 4.210 4.340 -0.014 0.000 0.233 351 R C 2.109 178.282 176.300 -0.210 0.000 1.137 351 R CA 1.583 57.527 56.100 -0.260 0.000 0.945 351 R CB -0.205 29.873 30.300 -0.371 0.000 0.845 351 R HN 0.181 nan 8.270 nan 0.000 0.430 352 V N 1.594 121.386 119.914 -0.203 0.000 2.287 352 V HA -0.275 3.837 4.120 -0.014 0.000 0.248 352 V C 2.424 178.350 176.094 -0.280 0.000 1.053 352 V CA 1.848 64.028 62.300 -0.200 0.000 1.027 352 V CB -0.415 31.288 31.823 -0.199 0.000 0.646 352 V HN 0.352 nan 8.190 nan 0.000 0.447 353 L N -0.806 120.183 121.223 -0.389 0.000 2.046 353 L HA -0.136 4.196 4.340 -0.014 0.000 0.208 353 L C 2.405 179.086 176.870 -0.316 0.000 1.077 353 L CA 1.154 55.705 54.840 -0.482 0.000 0.747 353 L CB -0.632 41.091 42.059 -0.559 0.000 0.896 353 L HN 0.198 nan 8.230 nan 0.000 0.432 354 V N -0.506 119.255 119.914 -0.255 0.000 2.331 354 V HA -0.183 3.929 4.120 -0.014 0.000 0.242 354 V C 1.985 178.018 176.094 -0.100 0.000 1.034 354 V CA 1.686 63.886 62.300 -0.165 0.000 1.027 354 V CB -0.292 31.423 31.823 -0.180 0.000 0.667 354 V HN 0.356 nan 8.190 nan 0.000 0.457 355 D N -0.218 120.119 120.400 -0.105 0.000 2.162 355 D HA -0.012 4.620 4.640 -0.014 0.000 0.203 355 D C 2.021 178.287 176.300 -0.057 0.000 0.967 355 D CA 1.143 55.105 54.000 -0.064 0.000 0.840 355 D CB 0.097 40.856 40.800 -0.069 0.000 0.972 355 D HN 0.304 nan 8.370 nan 0.000 0.482 356 L N 0.131 121.303 121.223 -0.084 0.000 2.349 356 L HA 0.125 4.457 4.340 -0.014 0.000 0.200 356 L C 1.753 178.587 176.870 -0.060 0.000 1.064 356 L CA 0.488 55.293 54.840 -0.059 0.000 0.821 356 L CB -0.139 41.886 42.059 -0.058 0.000 1.027 356 L HN -0.150 nan 8.230 nan 0.000 0.476 357 E N 0.911 121.040 120.200 -0.118 0.000 2.478 357 E HA 0.023 4.364 4.350 -0.014 0.000 0.194 357 E C 0.037 176.604 176.600 -0.056 0.000 1.045 357 E CA -0.060 56.287 56.400 -0.088 0.000 0.868 357 E CB 0.229 29.788 29.700 -0.236 0.000 0.885 357 E HN 0.270 nan 8.360 nan 0.000 0.505 358 R N 0.197 120.655 120.500 -0.070 0.000 3.423 358 R HA -0.190 4.142 4.340 -0.014 0.000 0.271 358 R C -0.514 175.772 176.300 -0.024 0.000 1.093 358 R CA 0.208 56.288 56.100 -0.033 0.000 0.730 358 R CB -2.468 27.834 30.300 0.002 0.000 1.190 358 R HN 0.031 nan 8.270 nan 0.000 0.437 359 L N 1.497 122.679 121.223 -0.068 0.000 2.439 359 L HA 0.178 4.510 4.340 -0.014 0.000 0.261 359 L C 1.367 178.230 176.870 -0.012 0.000 1.153 359 L CA 0.070 54.886 54.840 -0.041 0.000 0.808 359 L CB 0.404 42.407 42.059 -0.094 0.000 1.126 359 L HN 0.138 nan 8.230 nan 0.000 0.460 360 D N -0.436 119.984 120.400 0.034 0.000 2.360 360 D HA -0.121 4.511 4.640 -0.014 0.000 0.242 360 D C 0.738 177.103 176.300 0.108 0.000 1.184 360 D CA -0.390 53.664 54.000 0.090 0.000 0.930 360 D CB 0.586 41.447 40.800 0.103 0.000 1.161 360 D HN 0.523 nan 8.370 nan 0.000 0.447 361 W N 0.495 121.803 121.300 0.014 0.000 2.333 361 W HA -0.161 4.491 4.660 -0.013 0.000 0.316 361 W C 2.046 178.616 176.519 0.085 0.000 1.215 361 W CA 1.713 59.074 57.345 0.027 0.000 1.278 361 W CB -0.074 29.380 29.460 -0.009 0.000 1.154 361 W HN 0.447 nan 8.180 nan 0.000 0.486 362 D N -0.525 120.104 120.400 0.381 0.000 2.144 362 D HA -0.176 4.456 4.640 -0.014 0.000 0.200 362 D C 2.029 178.458 176.300 0.214 0.000 0.978 362 D CA 1.021 55.219 54.000 0.331 0.000 0.833 362 D CB -0.324 40.626 40.800 0.249 0.000 0.961 362 D HN 0.092 nan 8.370 nan 0.000 0.470 363 K N 1.105 121.583 120.400 0.130 0.000 2.097 363 K HA -0.060 4.252 4.320 -0.014 0.000 0.206 363 K C 1.945 178.555 176.600 0.018 0.000 1.049 363 K CA 0.755 57.088 56.287 0.076 0.000 0.933 363 K CB -0.112 32.424 32.500 0.060 0.000 0.717 363 K HN 0.011 nan 8.250 nan 0.000 0.442 364 A N 0.140 122.937 122.820 -0.039 0.000 2.014 364 A HA -0.143 4.169 4.320 -0.014 0.000 0.218 364 A C 1.967 179.471 177.584 -0.132 0.000 1.163 364 A CA 0.697 52.637 52.037 -0.162 0.000 0.652 364 A CB -0.710 18.122 19.000 -0.281 0.000 0.808 364 A HN 0.595 nan 8.150 nan 0.000 0.449 365 W N 0.584 121.736 121.300 -0.247 0.000 2.453 365 W HA -0.071 4.581 4.660 -0.013 0.000 0.289 365 W C 1.860 178.340 176.519 -0.065 0.000 1.215 365 W CA 1.376 58.598 57.345 -0.205 0.000 1.297 365 W CB -0.015 29.375 29.460 -0.118 0.000 1.113 365 W HN 0.557 nan 8.180 nan 0.000 0.551 366 E N 0.366 120.550 120.200 -0.026 0.000 2.058 366 E HA -0.219 4.123 4.350 -0.014 0.000 0.194 366 E C 2.024 178.547 176.600 -0.127 0.000 0.997 366 E CA 1.876 58.236 56.400 -0.066 0.000 0.801 366 E CB -0.281 29.445 29.700 0.042 0.000 0.746 366 E HN 0.054 nan 8.360 nan 0.000 0.450 367 V N 0.811 120.665 119.914 -0.100 0.000 2.237 367 V HA -0.285 3.827 4.120 -0.014 0.000 0.245 367 V C 2.464 178.480 176.094 -0.130 0.000 1.046 367 V CA 2.281 64.535 62.300 -0.075 0.000 1.007 367 V CB -0.971 30.807 31.823 -0.075 0.000 0.638 367 V HN 0.384 nan 8.190 nan 0.000 0.445 368 T N -0.184 114.220 114.554 -0.249 0.000 2.620 368 T HA -0.281 4.061 4.350 -0.014 0.000 0.267 368 T C 1.876 176.383 174.700 -0.321 0.000 1.044 368 T CA 2.115 64.033 62.100 -0.304 0.000 1.161 368 T CB -0.564 68.041 68.868 -0.439 0.000 0.862 368 T HN 0.306 nan 8.240 nan 0.000 0.438 369 V N 0.842 120.455 119.914 -0.501 0.000 2.427 369 V HA -0.090 4.022 4.120 -0.014 0.000 0.248 369 V C 2.296 178.350 176.094 -0.068 0.000 1.051 369 V CA 1.813 63.907 62.300 -0.342 0.000 1.048 369 V CB -0.416 31.098 31.823 -0.514 0.000 0.666 369 V HN 0.413 nan 8.190 nan 0.000 0.456 370 K N -0.241 120.094 120.400 -0.109 0.000 2.283 370 K HA -0.110 4.202 4.320 -0.014 0.000 0.202 370 K C 2.026 178.580 176.600 -0.077 0.000 1.048 370 K CA 1.661 57.865 56.287 -0.139 0.000 0.948 370 K CB -0.183 32.247 32.500 -0.118 0.000 0.742 370 K HN 0.697 nan 8.250 nan 0.000 0.458 371 T N -1.828 112.750 114.554 0.039 0.000 3.037 371 T HA 0.079 4.421 4.350 -0.014 0.000 0.251 371 T C 0.631 175.448 174.700 0.195 0.000 1.079 371 T CA -0.234 61.929 62.100 0.105 0.000 1.067 371 T CB -0.036 68.903 68.868 0.120 0.000 0.948 371 T HN 0.017 nan 8.240 nan 0.000 0.496 372 C N 2.116 121.526 119.300 0.182 0.000 2.365 372 C HA 0.950 5.402 4.460 -0.014 0.000 0.349 372 C C 0.437 175.490 174.990 0.105 0.000 1.191 372 C CA -0.729 58.365 59.018 0.127 0.000 2.114 372 C CB 0.702 28.450 27.740 0.015 0.000 2.367 372 C HN 0.749 nan 8.230 nan 0.000 0.530 373 A N 1.479 124.343 122.820 0.074 0.000 2.549 373 A HA 0.714 5.026 4.320 -0.014 0.000 0.297 373 A C -1.816 175.839 177.584 0.118 0.000 1.061 373 A CA -0.349 51.675 52.037 -0.021 0.000 0.690 373 A CB 1.096 20.071 19.000 -0.042 0.000 1.287 373 A HN 0.904 nan 8.150 nan 0.000 0.402 374 Y N 1.300 121.553 120.300 -0.078 0.000 2.331 374 Y HA 0.643 5.185 4.550 -0.013 0.000 0.334 374 Y C -0.411 175.473 175.900 -0.026 0.000 0.960 374 Y CA -0.692 57.374 58.100 -0.057 0.000 1.130 374 Y CB 1.811 40.189 38.460 -0.136 0.000 1.164 374 Y HN 0.565 nan 8.280 nan 0.000 0.458 375 T N 7.077 121.522 114.554 -0.182 0.000 2.744 375 T HA 0.185 4.527 4.350 -0.014 0.000 0.291 375 T C -0.267 174.047 174.700 -0.644 0.000 0.957 375 T CA -0.654 61.243 62.100 -0.338 0.000 1.002 375 T CB 0.096 68.956 68.868 -0.013 0.000 0.919 375 T HN 0.670 nan 8.240 nan 0.000 0.468 376 N N 1.890 120.146 118.700 -0.740 0.000 2.518 376 N HA 0.087 4.819 4.740 -0.014 0.000 0.283 376 N C 0.180 175.616 175.510 -0.123 0.000 1.119 376 N CA -0.268 52.561 53.050 -0.368 0.000 0.983 376 N CB 0.702 39.120 38.487 -0.115 0.000 1.139 376 N HN 0.659 nan 8.380 nan 0.000 0.465 377 H N 0.850 119.959 119.070 0.066 0.000 2.893 377 H HA 0.151 4.699 4.556 -0.014 0.000 0.270 377 H C -0.197 175.052 175.328 -0.131 0.000 1.095 377 H CA 0.079 56.118 56.048 -0.015 0.000 1.186 377 H CB 1.164 30.919 29.762 -0.013 0.000 1.562 377 H HN 0.531 nan 8.280 nan 0.000 0.536 378 T N 0.174 114.759 114.554 0.052 0.000 2.893 378 T HA 0.188 4.530 4.350 -0.014 0.000 0.337 378 T C 0.526 175.250 174.700 0.040 0.000 1.587 378 T CA -0.420 61.644 62.100 -0.061 0.000 1.066 378 T CB 1.231 70.053 68.868 -0.076 0.000 1.414 378 T HN -0.050 nan 8.240 nan 0.000 0.488 379 V N 2.175 122.077 119.914 -0.020 0.000 3.621 379 V HA 0.475 4.587 4.120 -0.014 0.000 0.285 379 V C 0.983 177.040 176.094 -0.062 0.000 1.346 379 V CA 0.132 62.410 62.300 -0.035 0.000 1.104 379 V CB -1.091 30.710 31.823 -0.037 0.000 0.913 379 V HN 0.763 nan 8.190 nan 0.000 0.432 380 I N -0.805 119.711 120.570 -0.090 0.000 2.496 380 I HA 0.350 4.512 4.170 -0.014 0.000 0.285 380 I C -0.757 175.352 176.117 -0.015 0.000 1.080 380 I CA -1.789 59.481 61.300 -0.050 0.000 1.404 380 I CB 0.790 38.747 38.000 -0.072 0.000 1.403 380 I HN -0.074 nan 8.210 nan 0.000 0.539 381 P HA -0.210 nan 4.420 nan 0.000 0.217 381 P C 1.068 178.353 177.300 -0.025 0.000 1.150 381 P CA 1.436 64.527 63.100 -0.014 0.000 0.832 381 P CB -0.062 31.634 31.700 -0.005 0.000 0.787 382 E N 0.571 120.779 120.200 0.012 0.000 2.409 382 E HA -0.083 4.259 4.350 -0.014 0.000 0.198 382 E C 1.690 178.234 176.600 -0.093 0.000 1.024 382 E CA 1.110 57.491 56.400 -0.031 0.000 0.861 382 E CB -0.773 28.991 29.700 0.107 0.000 0.788 382 E HN 0.194 nan 8.360 nan 0.000 0.521 383 A N 1.250 124.063 122.820 -0.012 0.000 2.072 383 A HA 0.145 4.457 4.320 -0.014 0.000 0.216 383 A C 1.357 178.922 177.584 -0.032 0.000 1.156 383 A CA -0.141 51.909 52.037 0.021 0.000 0.701 383 A CB -0.021 19.013 19.000 0.057 0.000 0.816 383 A HN 0.154 nan 8.150 nan 0.000 0.458 384 L N 1.504 122.660 121.223 -0.112 0.000 2.456 384 L HA 0.112 4.444 4.340 -0.014 0.000 0.272 384 L C 0.019 176.527 176.870 -0.602 0.000 1.189 384 L CA 0.583 55.294 54.840 -0.215 0.000 0.846 384 L CB 0.257 42.219 42.059 -0.162 0.000 1.111 384 L HN 0.424 nan 8.230 nan 0.000 0.475 385 E N 4.348 124.128 120.200 -0.700 0.000 2.167 385 E HA 0.317 4.658 4.350 -0.014 0.000 0.284 385 E C -0.521 175.485 176.600 -0.990 0.000 1.016 385 E CA -0.381 55.198 56.400 -1.369 0.000 0.817 385 E CB 1.033 30.342 29.700 -0.652 0.000 1.080 385 E HN 0.364 nan 8.360 nan 0.000 0.397 386 R N 3.711 123.439 120.500 -1.286 0.000 2.576 386 R HA 0.165 4.497 4.340 -0.014 0.000 0.283 386 R C -1.307 174.800 176.300 -0.322 0.000 1.493 386 R CA -0.550 55.218 56.100 -0.553 0.000 1.170 386 R CB 0.789 30.868 30.300 -0.369 0.000 1.189 386 R HN 0.480 nan 8.270 nan 0.000 0.542 387 W N 5.036 126.287 121.300 -0.082 0.000 2.356 387 W HA 0.193 4.845 4.660 -0.014 0.000 0.311 387 W C -1.663 174.833 176.519 -0.038 0.000 1.328 387 W CA -1.935 55.433 57.345 0.038 0.000 1.251 387 W CB 0.674 30.137 29.460 0.005 0.000 1.280 387 W HN 0.218 nan 8.180 nan 0.000 0.524 388 P HA -0.129 nan 4.420 nan 0.000 0.261 388 P C 0.774 178.010 177.300 -0.106 0.000 1.173 388 P CA 0.435 63.516 63.100 -0.031 0.000 0.760 388 P CB 1.157 32.705 31.700 -0.253 0.000 0.783 389 V N 3.875 123.776 119.914 -0.023 0.000 2.332 389 V HA -0.282 3.830 4.120 -0.014 0.000 0.248 389 V C 2.418 178.511 176.094 -0.002 0.000 1.055 389 V CA 2.676 64.982 62.300 0.010 0.000 1.038 389 V CB -1.798 30.094 31.823 0.115 0.000 0.651 389 V HN 0.747 nan 8.190 nan 0.000 0.450 390 H N -1.215 117.908 119.070 0.089 0.000 2.518 390 H HA -0.125 4.423 4.556 -0.013 0.000 0.292 390 H C 1.951 177.323 175.328 0.073 0.000 1.068 390 H CA 1.758 57.853 56.048 0.079 0.000 1.275 390 H CB -0.468 29.341 29.762 0.078 0.000 1.375 390 H HN 0.403 nan 8.280 nan 0.000 0.563 391 L N -0.274 120.812 121.223 -0.228 0.000 2.084 391 L HA -0.007 4.325 4.340 -0.014 0.000 0.202 391 L C 2.352 179.172 176.870 -0.083 0.000 1.074 391 L CA 0.685 55.469 54.840 -0.093 0.000 0.757 391 L CB -0.173 41.817 42.059 -0.115 0.000 0.918 391 L HN 0.317 nan 8.230 nan 0.000 0.444 392 L N -0.260 120.887 121.223 -0.127 0.000 2.083 392 L HA -0.267 4.065 4.340 -0.014 0.000 0.209 392 L C 2.503 179.308 176.870 -0.109 0.000 1.083 392 L CA 1.288 56.028 54.840 -0.167 0.000 0.752 392 L CB -0.388 41.564 42.059 -0.177 0.000 0.899 392 L HN 0.377 nan 8.230 nan 0.000 0.433 393 E N -0.319 119.859 120.200 -0.036 0.000 2.033 393 E HA -0.258 4.084 4.350 -0.014 0.000 0.199 393 E C 1.958 178.593 176.600 0.058 0.000 1.011 393 E CA 2.258 58.671 56.400 0.021 0.000 0.815 393 E CB 0.009 29.757 29.700 0.081 0.000 0.755 393 E HN 0.386 nan 8.360 nan 0.000 0.451 394 T N 1.086 115.701 114.554 0.101 0.000 2.684 394 T HA -0.180 4.162 4.350 -0.014 0.000 0.267 394 T C 1.754 176.586 174.700 0.221 0.000 1.036 394 T CA 1.424 63.631 62.100 0.178 0.000 1.148 394 T CB -0.226 68.769 68.868 0.211 0.000 0.863 394 T HN 0.111 nan 8.240 nan 0.000 0.436 395 L N -0.482 120.784 121.223 0.072 0.000 2.202 395 L HA 0.397 4.729 4.340 -0.014 0.000 0.205 395 L C 0.470 177.298 176.870 -0.071 0.000 1.083 395 L CA 1.438 56.225 54.840 -0.088 0.000 0.790 395 L CB 0.121 42.066 42.059 -0.189 0.000 0.942 395 L HN 0.179 nan 8.230 nan 0.000 0.452 396 L N 1.026 122.163 121.223 -0.143 0.000 2.625 396 L HA 0.294 4.626 4.340 -0.014 0.000 0.255 396 L C -1.689 174.995 176.870 -0.311 0.000 1.493 396 L CA -0.839 53.810 54.840 -0.318 0.000 0.796 396 L CB 0.943 42.644 42.059 -0.596 0.000 1.064 396 L HN -0.051 nan 8.230 nan 0.000 0.516 397 P HA -0.195 nan 4.420 nan 0.000 0.216 397 P C 1.447 178.563 177.300 -0.307 0.000 1.150 397 P CA 1.120 64.114 63.100 -0.177 0.000 0.837 397 P CB 0.390 32.076 31.700 -0.023 0.000 0.786 398 R N -0.219 119.911 120.500 -0.617 0.000 2.115 398 R HA -0.134 4.198 4.340 -0.014 0.000 0.230 398 R C 2.220 178.241 176.300 -0.464 0.000 1.111 398 R CA 1.548 57.314 56.100 -0.556 0.000 0.976 398 R CB -1.362 28.456 30.300 -0.804 0.000 0.870 398 R HN 0.266 nan 8.270 nan 0.000 0.445 399 H N -0.697 118.057 119.070 -0.526 0.000 2.462 399 H HA 0.037 4.585 4.556 -0.014 0.000 0.292 399 H C 1.632 176.779 175.328 -0.301 0.000 1.049 399 H CA 1.143 56.965 56.048 -0.377 0.000 1.334 399 H CB 0.037 29.547 29.762 -0.420 0.000 1.404 399 H HN 0.091 nan 8.280 nan 0.000 0.544 400 L N 0.332 121.426 121.223 -0.215 0.000 2.141 400 L HA -0.192 4.140 4.340 -0.014 0.000 0.209 400 L C 1.631 178.281 176.870 -0.366 0.000 1.094 400 L CA 1.444 56.083 54.840 -0.335 0.000 0.763 400 L CB -0.156 41.725 42.059 -0.297 0.000 0.908 400 L HN 0.405 nan 8.230 nan 0.000 0.437 401 Q N -0.312 119.399 119.800 -0.148 0.000 2.079 401 Q HA -0.191 4.141 4.340 -0.014 0.000 0.200 401 Q C 2.200 178.218 176.000 0.029 0.000 0.974 401 Q CA 1.471 57.282 55.803 0.013 0.000 0.840 401 Q CB 0.032 28.793 28.738 0.038 0.000 0.898 401 Q HN 0.523 nan 8.270 nan 0.000 0.430 402 I N 0.497 121.056 120.570 -0.019 0.000 2.179 402 I HA -0.284 3.878 4.170 -0.014 0.000 0.242 402 I C 2.153 178.319 176.117 0.081 0.000 1.088 402 I CA 1.110 62.456 61.300 0.075 0.000 1.357 402 I CB -0.200 37.783 38.000 -0.028 0.000 1.051 402 I HN 0.209 nan 8.210 nan 0.000 0.409 403 I N -0.285 120.270 120.570 -0.025 0.000 2.264 403 I HA -0.337 3.825 4.170 -0.014 0.000 0.248 403 I C 2.392 178.530 176.117 0.034 0.000 1.111 403 I CA 1.505 62.785 61.300 -0.033 0.000 1.382 403 I CB -0.390 37.521 38.000 -0.148 0.000 1.060 403 I HN 0.206 nan 8.210 nan 0.000 0.418 404 Y N 0.632 120.943 120.300 0.018 0.000 2.242 404 Y HA -0.227 4.315 4.550 -0.013 0.000 0.291 404 Y C 2.586 178.463 175.900 -0.038 0.000 1.137 404 Y CA 1.382 59.480 58.100 -0.002 0.000 1.181 404 Y CB -0.710 37.742 38.460 -0.013 0.000 0.989 404 Y HN 0.206 nan 8.280 nan 0.000 0.527 405 E N 0.395 120.660 120.200 0.108 0.000 2.107 405 E HA -0.108 4.234 4.350 -0.014 0.000 0.191 405 E C 2.033 178.550 176.600 -0.139 0.000 0.982 405 E CA 1.076 57.413 56.400 -0.104 0.000 0.809 405 E CB -0.521 29.076 29.700 -0.172 0.000 0.756 405 E HN 0.449 nan 8.360 nan 0.000 0.459 406 I N 0.829 121.437 120.570 0.063 0.000 2.163 406 I HA -0.296 3.866 4.170 -0.014 0.000 0.243 406 I C 2.294 178.413 176.117 0.003 0.000 1.085 406 I CA 1.458 62.754 61.300 -0.007 0.000 1.347 406 I CB -0.431 37.575 38.000 0.010 0.000 1.044 406 I HN 0.225 nan 8.210 nan 0.000 0.408 407 N N 0.746 119.500 118.700 0.090 0.000 2.069 407 N HA -0.282 4.450 4.740 -0.014 0.000 0.191 407 N C 1.871 177.455 175.510 0.123 0.000 1.031 407 N CA 1.679 54.830 53.050 0.169 0.000 0.852 407 N CB -0.148 38.460 38.487 0.202 0.000 1.018 407 N HN 0.298 nan 8.380 nan 0.000 0.423 408 Q N -0.143 119.673 119.800 0.027 0.000 2.061 408 Q HA -0.100 4.232 4.340 -0.014 0.000 0.204 408 Q C 2.047 178.006 176.000 -0.069 0.000 0.984 408 Q CA 1.555 57.333 55.803 -0.041 0.000 0.846 408 Q CB 0.020 28.695 28.738 -0.106 0.000 0.902 408 Q HN 0.384 nan 8.270 nan 0.000 0.421 409 R N -0.835 119.592 120.500 -0.122 0.000 2.090 409 R HA -0.096 4.236 4.340 -0.014 0.000 0.228 409 R C 2.160 178.456 176.300 -0.007 0.000 1.110 409 R CA 1.118 57.141 56.100 -0.130 0.000 0.973 409 R CB -0.325 29.815 30.300 -0.266 0.000 0.869 409 R HN 0.279 nan 8.270 nan 0.000 0.440 410 F N 1.613 121.520 119.950 -0.071 0.000 2.113 410 F HA -0.087 4.432 4.527 -0.014 0.000 0.297 410 F C 1.780 177.594 175.800 0.024 0.000 1.103 410 F CA 1.329 59.338 58.000 0.015 0.000 1.248 410 F CB -0.192 38.852 39.000 0.074 0.000 0.999 410 F HN -0.129 nan 8.300 nan 0.000 0.475 411 L N 0.063 121.246 121.223 -0.066 0.000 2.362 411 L HA -0.172 4.160 4.340 -0.014 0.000 0.219 411 L C 1.708 178.486 176.870 -0.154 0.000 1.134 411 L CA 1.182 55.925 54.840 -0.162 0.000 0.807 411 L CB -0.818 41.230 42.059 -0.018 0.000 0.927 411 L HN 0.256 nan 8.230 nan 0.000 0.447 412 N N -0.427 118.203 118.700 -0.116 0.000 2.354 412 N HA -0.104 4.628 4.740 -0.014 0.000 0.179 412 N C 1.947 177.389 175.510 -0.114 0.000 1.021 412 N CA 0.314 53.304 53.050 -0.100 0.000 0.887 412 N CB 0.082 38.518 38.487 -0.084 0.000 0.974 412 N HN 0.210 nan 8.380 nan 0.000 0.437 413 R N 0.648 121.062 120.500 -0.144 0.000 2.093 413 R HA 0.009 4.341 4.340 -0.014 0.000 0.224 413 R C 1.794 177.979 176.300 -0.191 0.000 1.101 413 R CA 0.670 56.688 56.100 -0.136 0.000 0.979 413 R CB 0.023 30.260 30.300 -0.104 0.000 0.877 413 R HN 0.063 nan 8.270 nan 0.000 0.441 414 V N 0.776 120.523 119.914 -0.278 0.000 2.270 414 V HA -0.204 3.908 4.120 -0.014 0.000 0.245 414 V C 2.460 178.526 176.094 -0.046 0.000 1.043 414 V CA 1.894 64.089 62.300 -0.175 0.000 1.014 414 V CB -0.751 30.873 31.823 -0.331 0.000 0.645 414 V HN 0.423 nan 8.190 nan 0.000 0.447 415 A N 0.325 123.101 122.820 -0.073 0.000 1.892 415 A HA -0.238 4.074 4.320 -0.014 0.000 0.218 415 A C 2.405 179.953 177.584 -0.060 0.000 1.188 415 A CA 2.541 54.552 52.037 -0.043 0.000 0.631 415 A CB -0.953 18.015 19.000 -0.054 0.000 0.822 415 A HN 0.622 nan 8.150 nan 0.000 0.447 416 A N -0.876 121.888 122.820 -0.092 0.000 2.019 416 A HA 0.230 4.542 4.320 -0.014 0.000 0.219 416 A C 2.336 179.823 177.584 -0.162 0.000 1.164 416 A CA 1.999 53.973 52.037 -0.105 0.000 0.644 416 A CB -0.644 18.298 19.000 -0.097 0.000 0.805 416 A HN 1.075 nan 8.150 nan 0.000 0.449 417 A N -1.849 120.819 122.820 -0.252 0.000 1.997 417 A HA 0.445 4.757 4.320 -0.014 0.000 0.212 417 A C 0.399 177.579 177.584 -0.674 0.000 1.178 417 A CA 0.329 52.060 52.037 -0.509 0.000 0.698 417 A CB 0.006 18.570 19.000 -0.726 0.000 0.842 417 A HN 0.378 nan 8.150 nan 0.000 0.458 418 F N 1.331 121.228 119.950 -0.087 0.000 2.449 418 F HA 0.308 4.827 4.527 -0.014 0.000 0.329 418 F C -2.511 173.247 175.800 -0.069 0.000 1.245 418 F CA -3.075 54.878 58.000 -0.078 0.000 1.193 418 F CB 1.041 39.985 39.000 -0.094 0.000 1.425 418 F HN 0.022 nan 8.300 nan 0.000 0.544 419 P HA 0.219 nan 4.420 nan 0.000 0.271 419 P C 0.881 178.193 177.300 0.021 0.000 1.226 419 P CA 0.751 63.857 63.100 0.010 0.000 0.765 419 P CB 1.565 33.252 31.700 -0.022 0.000 0.835 420 G N 2.923 111.730 108.800 0.011 0.000 2.241 420 G HA2 -0.227 3.725 3.960 -0.014 0.000 0.244 420 G HA3 -0.227 3.725 3.960 -0.014 0.000 0.244 420 G C 0.279 175.184 174.900 0.008 0.000 0.998 420 G CA 0.064 45.168 45.100 0.006 0.000 0.621 420 G HN 0.610 nan 8.290 nan 0.000 0.519 421 D N 1.155 121.569 120.400 0.024 0.000 2.498 421 D HA 0.380 5.012 4.640 -0.014 0.000 0.229 421 D C 1.502 177.792 176.300 -0.018 0.000 1.188 421 D CA 0.450 54.451 54.000 0.001 0.000 1.028 421 D CB 0.735 41.536 40.800 0.003 0.000 1.087 421 D HN 0.159 nan 8.370 nan 0.000 0.510 422 V N 3.039 122.942 119.914 -0.017 0.000 2.809 422 V HA -0.148 3.964 4.120 -0.014 0.000 0.256 422 V C 1.563 177.643 176.094 -0.024 0.000 1.080 422 V CA 1.556 63.844 62.300 -0.019 0.000 1.102 422 V CB 0.062 31.878 31.823 -0.013 0.000 0.705 422 V HN 0.375 nan 8.190 nan 0.000 0.475 423 D N -0.607 119.774 120.400 -0.031 0.000 2.249 423 D HA -0.108 4.524 4.640 -0.014 0.000 0.205 423 D C 2.273 178.545 176.300 -0.047 0.000 0.962 423 D CA 0.757 54.739 54.000 -0.029 0.000 0.860 423 D CB -0.037 40.746 40.800 -0.028 0.000 0.955 423 D HN 0.345 nan 8.370 nan 0.000 0.505 424 R N -0.195 120.254 120.500 -0.085 0.000 2.082 424 R HA -0.124 4.208 4.340 -0.014 0.000 0.234 424 R C 1.940 178.175 176.300 -0.108 0.000 1.136 424 R CA 1.022 57.037 56.100 -0.143 0.000 0.935 424 R CB -0.323 29.845 30.300 -0.221 0.000 0.842 424 R HN 0.155 nan 8.270 nan 0.000 0.430 425 L N 1.333 122.511 121.223 -0.074 0.000 2.021 425 L HA -0.240 4.092 4.340 -0.014 0.000 0.215 425 L C 2.539 179.409 176.870 0.001 0.000 1.074 425 L CA 2.164 56.978 54.840 -0.044 0.000 0.760 425 L CB -1.317 40.725 42.059 -0.028 0.000 0.889 425 L HN 0.364 nan 8.230 nan 0.000 0.433 426 R N -0.607 119.899 120.500 0.010 0.000 2.115 426 R HA -0.106 4.226 4.340 -0.014 0.000 0.226 426 R C 2.222 178.569 176.300 0.078 0.000 1.100 426 R CA 1.088 57.215 56.100 0.045 0.000 0.980 426 R CB -0.704 29.617 30.300 0.035 0.000 0.875 426 R HN 0.140 nan 8.270 nan 0.000 0.445 427 R N -0.004 120.526 120.500 0.050 0.000 2.092 427 R HA 0.131 4.463 4.340 -0.014 0.000 0.231 427 R C 2.026 178.411 176.300 0.141 0.000 1.119 427 R CA 1.832 57.985 56.100 0.089 0.000 0.970 427 R CB -0.094 30.217 30.300 0.019 0.000 0.864 427 R HN 0.296 nan 8.270 nan 0.000 0.440 428 M N -0.185 119.424 119.600 0.015 0.000 2.447 428 M HA 0.011 4.483 4.480 -0.014 0.000 0.264 428 M C 0.781 177.233 176.300 0.254 0.000 1.095 428 M CA 0.153 55.416 55.300 -0.061 0.000 1.125 428 M CB 0.322 32.760 32.600 -0.270 0.000 1.389 428 M HN -0.043 nan 8.290 nan 0.000 0.459 429 S N 1.124 116.990 115.700 0.277 0.000 2.599 429 S HA -0.042 4.420 4.470 -0.014 0.000 0.303 429 S C 1.123 175.999 174.600 0.460 0.000 1.267 429 S CA -0.078 58.317 58.200 0.326 0.000 1.055 429 S CB 0.378 63.709 63.200 0.219 0.000 0.790 429 S HN 0.328 nan 8.310 nan 0.000 0.500 430 L N 4.545 125.987 121.223 0.366 0.000 2.395 430 L HA 0.095 4.427 4.340 -0.014 0.000 0.218 430 L C 0.295 177.280 176.870 0.191 0.000 1.130 430 L CA 0.228 55.239 54.840 0.285 0.000 0.826 430 L CB -0.397 41.769 42.059 0.178 0.000 0.941 430 L HN 0.376 nan 8.230 nan 0.000 0.451 431 V N 0.959 120.996 119.914 0.206 0.000 2.370 431 V HA 0.163 4.275 4.120 -0.014 0.000 0.279 431 V C 0.075 176.254 176.094 0.142 0.000 1.029 431 V CA -0.580 61.827 62.300 0.179 0.000 0.870 431 V CB 1.335 33.291 31.823 0.221 0.000 0.984 431 V HN 0.186 nan 8.190 nan 0.000 0.451 432 E N 3.598 123.860 120.200 0.104 0.000 2.109 432 E HA 0.381 4.723 4.350 -0.014 0.000 0.278 432 E C -0.600 176.047 176.600 0.079 0.000 0.954 432 E CA -0.538 55.913 56.400 0.085 0.000 0.779 432 E CB 1.852 31.582 29.700 0.050 0.000 1.093 432 E HN 0.605 nan 8.360 nan 0.000 0.401 433 E N 1.195 121.440 120.200 0.074 0.000 2.369 433 E HA 0.532 4.873 4.350 -0.014 0.000 0.255 433 E C 0.362 176.996 176.600 0.056 0.000 1.172 433 E CA 0.586 57.024 56.400 0.064 0.000 0.932 433 E CB 1.098 30.829 29.700 0.052 0.000 1.040 433 E HN 0.656 nan 8.360 nan 0.000 0.454 434 G N -0.614 108.218 108.800 0.053 0.000 2.334 434 G HA2 0.230 4.182 3.960 -0.014 0.000 0.249 434 G HA3 0.230 4.182 3.960 -0.014 0.000 0.249 434 G C 0.407 175.337 174.900 0.051 0.000 1.327 434 G CA 0.251 45.379 45.100 0.047 0.000 0.979 434 G HN 0.594 nan 8.290 nan 0.000 0.471 435 A N -0.887 121.963 122.820 0.049 0.000 1.869 435 A HA 0.324 4.636 4.320 -0.014 0.000 0.218 435 A C 1.632 179.257 177.584 0.068 0.000 1.203 435 A CA 3.909 55.977 52.037 0.051 0.000 0.638 435 A CB -1.147 17.882 19.000 0.049 0.000 0.831 435 A HN 2.336 nan 8.150 nan 0.000 0.450 436 V N -3.110 116.856 119.914 0.087 0.000 2.656 436 V HA 0.549 4.661 4.120 -0.014 0.000 0.307 436 V C -0.663 175.498 176.094 0.113 0.000 1.051 436 V CA -1.494 60.881 62.300 0.126 0.000 0.893 436 V CB 1.612 33.545 31.823 0.183 0.000 0.999 436 V HN 0.355 nan 8.190 nan 0.000 0.426 437 K N 3.782 124.255 120.400 0.122 0.000 2.319 437 K HA 0.559 4.871 4.320 -0.014 0.000 0.265 437 K C -0.478 176.184 176.600 0.102 0.000 1.000 437 K CA -0.357 55.996 56.287 0.110 0.000 0.943 437 K CB 0.917 33.493 32.500 0.127 0.000 0.950 437 K HN 0.752 nan 8.250 nan 0.000 0.485 438 R N 0.730 121.280 120.500 0.084 0.000 2.799 438 R HA 0.487 4.819 4.340 -0.014 0.000 0.270 438 R C -0.742 175.593 176.300 0.058 0.000 1.010 438 R CA -0.946 55.192 56.100 0.063 0.000 0.916 438 R CB 1.407 31.724 30.300 0.028 0.000 1.228 438 R HN 0.406 nan 8.270 nan 0.000 0.469 439 I N 1.895 122.494 120.570 0.049 0.000 2.378 439 I HA 0.174 4.336 4.170 -0.014 0.000 0.291 439 I C -0.367 175.735 176.117 -0.024 0.000 0.992 439 I CA -0.679 60.639 61.300 0.030 0.000 1.154 439 I CB 1.482 39.495 38.000 0.021 0.000 1.315 439 I HN 0.521 nan 8.210 nan 0.000 0.448 440 N N 7.195 125.848 118.700 -0.078 0.000 2.439 440 N HA 0.089 4.821 4.740 -0.014 0.000 0.243 440 N C 0.794 176.191 175.510 -0.188 0.000 1.088 440 N CA -0.359 52.565 53.050 -0.210 0.000 0.940 440 N CB 0.975 39.224 38.487 -0.397 0.000 1.180 440 N HN 0.403 nan 8.380 nan 0.000 0.505 441 M N 2.484 121.981 119.600 -0.171 0.000 2.213 441 M HA -0.068 4.404 4.480 -0.014 0.000 0.263 441 M C 1.953 178.097 176.300 -0.260 0.000 1.062 441 M CA 0.757 55.973 55.300 -0.141 0.000 1.105 441 M CB -1.548 31.021 32.600 -0.053 0.000 1.385 441 M HN 0.617 nan 8.290 nan 0.000 0.417 442 A N -0.769 121.878 122.820 -0.287 0.000 1.930 442 A HA -0.169 4.143 4.320 -0.014 0.000 0.217 442 A C 1.966 179.287 177.584 -0.439 0.000 1.175 442 A CA 1.436 53.241 52.037 -0.386 0.000 0.627 442 A CB -1.099 17.836 19.000 -0.108 0.000 0.815 442 A HN 0.610 nan 8.150 nan 0.000 0.443 443 H N -1.180 117.656 119.070 -0.389 0.000 2.428 443 H HA 0.054 4.601 4.556 -0.014 0.000 0.296 443 H C 2.054 177.148 175.328 -0.389 0.000 1.062 443 H CA 0.695 56.466 56.048 -0.462 0.000 1.350 443 H CB 0.004 29.691 29.762 -0.126 0.000 1.403 443 H HN 0.343 nan 8.280 nan 0.000 0.533 444 L N 0.259 121.380 121.223 -0.170 0.000 2.012 444 L HA -0.239 4.093 4.340 -0.014 0.000 0.210 444 L C 2.183 178.922 176.870 -0.218 0.000 1.073 444 L CA 1.244 55.997 54.840 -0.145 0.000 0.748 444 L CB -0.320 41.678 42.059 -0.102 0.000 0.891 444 L HN 0.470 nan 8.230 nan 0.000 0.431 445 C N -0.229 118.843 119.300 -0.380 0.000 2.422 445 C HA -0.142 4.310 4.460 -0.014 0.000 0.279 445 C C 2.623 177.393 174.990 -0.366 0.000 1.305 445 C CA 0.457 59.190 59.018 -0.475 0.000 1.757 445 C CB -0.713 26.397 27.740 -1.050 0.000 1.962 445 C HN 0.484 nan 8.230 nan 0.000 0.499 446 I N 1.088 121.406 120.570 -0.420 0.000 2.406 446 I HA -0.074 4.088 4.170 -0.014 0.000 0.249 446 I C 2.692 178.684 176.117 -0.208 0.000 1.122 446 I CA 1.289 62.389 61.300 -0.333 0.000 1.431 446 I CB -0.465 37.214 38.000 -0.535 0.000 1.087 446 I HN 0.207 nan 8.210 nan 0.000 0.424 447 A N 0.565 123.225 122.820 -0.267 0.000 1.969 447 A HA -0.015 4.297 4.320 -0.014 0.000 0.218 447 A C 2.111 179.771 177.584 0.127 0.000 1.169 447 A CA 1.692 53.614 52.037 -0.192 0.000 0.635 447 A CB -0.885 17.860 19.000 -0.424 0.000 0.810 447 A HN 0.454 nan 8.150 nan 0.000 0.445 448 G N -1.146 107.660 108.800 0.010 0.000 3.575 448 G HA2 0.446 4.398 3.960 -0.014 0.000 0.273 448 G HA3 0.446 4.398 3.960 -0.014 0.000 0.273 448 G C -0.031 174.741 174.900 -0.214 0.000 1.053 448 G CA 0.322 45.310 45.100 -0.186 0.000 0.803 448 G HN 0.290 nan 8.290 nan 0.000 0.528 449 S N -0.240 115.392 115.700 -0.114 0.000 2.566 449 S HA 0.372 4.834 4.470 -0.014 0.000 0.298 449 S C 0.696 175.290 174.600 -0.010 0.000 1.083 449 S CA -0.737 57.422 58.200 -0.069 0.000 0.978 449 S CB 1.223 64.375 63.200 -0.079 0.000 1.073 449 S HN 0.500 nan 8.310 nan 0.000 0.491 450 H N -0.299 118.763 119.070 -0.014 0.000 2.563 450 H HA 0.549 5.097 4.556 -0.014 0.000 0.264 450 H C 0.180 175.522 175.328 0.025 0.000 0.957 450 H CA 0.118 56.185 56.048 0.032 0.000 1.173 450 H CB 0.124 29.918 29.762 0.052 0.000 1.420 450 H HN 0.483 nan 8.280 nan 0.000 0.551 451 A N 1.084 123.669 122.820 -0.392 0.000 2.486 451 A HA 0.589 4.901 4.320 -0.014 0.000 0.300 451 A C -1.297 176.112 177.584 -0.291 0.000 1.048 451 A CA -0.588 51.265 52.037 -0.306 0.000 0.696 451 A CB 2.344 21.132 19.000 -0.354 0.000 1.278 451 A HN 0.083 nan 8.150 nan 0.000 0.405 452 V N 3.675 123.380 119.914 -0.348 0.000 2.638 452 V HA 0.566 4.678 4.120 -0.014 0.000 0.306 452 V C -0.669 175.222 176.094 -0.340 0.000 1.052 452 V CA -0.791 61.273 62.300 -0.394 0.000 0.885 452 V CB 1.865 33.302 31.823 -0.643 0.000 0.999 452 V HN 1.061 nan 8.190 nan 0.000 0.424 453 N N 2.605 121.123 118.700 -0.304 0.000 2.405 453 N HA 0.679 5.411 4.740 -0.014 0.000 0.285 453 N C -0.356 175.029 175.510 -0.207 0.000 1.262 453 N CA -0.366 52.549 53.050 -0.225 0.000 0.773 453 N CB 2.865 41.205 38.487 -0.246 0.000 1.490 453 N HN 0.679 nan 8.380 nan 0.000 0.486 454 G N -1.128 107.589 108.800 -0.138 0.000 2.705 454 G HA2 0.475 4.427 3.960 -0.014 0.000 0.299 454 G HA3 0.475 4.427 3.960 -0.014 0.000 0.299 454 G C 0.485 175.419 174.900 0.057 0.000 1.315 454 G CA -0.456 44.615 45.100 -0.048 0.000 1.045 454 G HN 0.631 nan 8.290 nan 0.000 0.517 455 V N -3.878 116.175 119.914 0.232 0.000 3.380 455 V HA 0.707 4.818 4.120 -0.014 0.000 0.307 455 V C 0.472 176.635 176.094 0.116 0.000 1.434 455 V CA 0.321 62.689 62.300 0.113 0.000 1.075 455 V CB -0.625 31.212 31.823 0.024 0.000 0.954 455 V HN 1.401 nan 8.190 nan 0.000 0.444 456 A N -0.058 122.839 122.820 0.129 0.000 2.599 456 A HA 0.638 4.950 4.320 -0.014 0.000 0.294 456 A C 0.673 178.296 177.584 0.066 0.000 1.055 456 A CA -0.151 51.942 52.037 0.093 0.000 0.683 456 A CB 1.196 20.243 19.000 0.078 0.000 1.278 456 A HN -0.014 nan 8.150 nan 0.000 0.412 457 R N 0.558 121.080 120.500 0.036 0.000 2.091 457 R HA -0.186 4.146 4.340 -0.014 0.000 0.238 457 R C 1.642 177.935 176.300 -0.011 0.000 1.136 457 R CA 2.506 58.607 56.100 0.000 0.000 0.959 457 R CB -0.592 29.706 30.300 -0.003 0.000 0.856 457 R HN 0.854 nan 8.270 nan 0.000 0.437 458 I N -1.661 118.911 120.570 0.003 0.000 2.179 458 I HA -0.230 3.932 4.170 -0.014 0.000 0.242 458 I C 2.529 178.648 176.117 0.004 0.000 1.088 458 I CA 1.902 63.197 61.300 -0.008 0.000 1.357 458 I CB -1.028 36.969 38.000 -0.004 0.000 1.051 458 I HN 0.192 nan 8.210 nan 0.000 0.409 459 H N 1.634 120.673 119.070 -0.052 0.000 2.353 459 H HA -0.110 4.438 4.556 -0.014 0.000 0.300 459 H C 2.277 177.569 175.328 -0.060 0.000 1.090 459 H CA 2.064 58.076 56.048 -0.059 0.000 1.327 459 H CB -0.278 29.453 29.762 -0.051 0.000 1.383 459 H HN 0.231 nan 8.280 nan 0.000 0.508 460 S N 0.136 115.721 115.700 -0.191 0.000 2.383 460 S HA -0.137 4.325 4.470 -0.014 0.000 0.229 460 S C 1.913 176.401 174.600 -0.186 0.000 1.030 460 S CA 1.288 59.359 58.200 -0.216 0.000 1.002 460 S CB -0.100 63.034 63.200 -0.109 0.000 0.829 460 S HN 0.494 nan 8.310 nan 0.000 0.467 461 E N 1.015 121.125 120.200 -0.149 0.000 2.106 461 E HA 0.008 4.350 4.350 -0.014 0.000 0.192 461 E C 1.985 178.481 176.600 -0.173 0.000 0.984 461 E CA 0.624 56.927 56.400 -0.162 0.000 0.806 461 E CB -0.341 29.290 29.700 -0.114 0.000 0.750 461 E HN 0.518 nan 8.360 nan 0.000 0.458 462 I N 0.851 121.330 120.570 -0.150 0.000 2.361 462 I HA -0.250 3.912 4.170 -0.014 0.000 0.251 462 I C 2.311 178.309 176.117 -0.197 0.000 1.133 462 I CA 0.676 61.890 61.300 -0.142 0.000 1.413 462 I CB -0.175 37.772 38.000 -0.089 0.000 1.073 462 I HN 0.059 nan 8.210 nan 0.000 0.424 463 L N 0.377 121.447 121.223 -0.255 0.000 2.056 463 L HA -0.207 4.125 4.340 -0.014 0.000 0.207 463 L C 2.392 179.168 176.870 -0.156 0.000 1.078 463 L CA 1.551 56.244 54.840 -0.245 0.000 0.749 463 L CB -0.586 41.403 42.059 -0.117 0.000 0.901 463 L HN 0.177 nan 8.230 nan 0.000 0.433 464 K N -0.041 120.212 120.400 -0.245 0.000 2.288 464 K HA -0.105 4.207 4.320 -0.014 0.000 0.201 464 K C 1.927 178.336 176.600 -0.318 0.000 1.048 464 K CA 0.886 56.889 56.287 -0.474 0.000 0.956 464 K CB 0.102 32.077 32.500 -0.875 0.000 0.746 464 K HN 0.273 nan 8.250 nan 0.000 0.461 465 K N -0.623 119.650 120.400 -0.211 0.000 2.335 465 K HA 0.079 4.391 4.320 -0.014 0.000 0.195 465 K C 1.139 177.687 176.600 -0.087 0.000 1.058 465 K CA 0.759 56.968 56.287 -0.130 0.000 0.988 465 K CB 0.761 33.192 32.500 -0.116 0.000 0.880 465 K HN 0.017 nan 8.250 nan 0.000 0.513 466 T N 0.535 115.027 114.554 -0.103 0.000 3.257 466 T HA 0.138 4.480 4.350 -0.014 0.000 0.176 466 T C 1.549 176.197 174.700 -0.087 0.000 0.892 466 T CA -0.393 61.658 62.100 -0.082 0.000 1.147 466 T CB -0.348 68.466 68.868 -0.091 0.000 1.840 466 T HN -0.030 nan 8.240 nan 0.000 0.375 467 I N 0.361 120.815 120.570 -0.193 0.000 2.248 467 I HA -0.143 4.018 4.170 -0.014 0.000 0.248 467 I C 0.420 176.453 176.117 -0.141 0.000 1.107 467 I CA 1.771 62.897 61.300 -0.289 0.000 1.373 467 I CB 0.096 37.753 38.000 -0.571 0.000 1.055 467 I HN 0.219 nan 8.210 nan 0.000 0.418 468 F N 1.460 121.512 119.950 0.171 0.000 2.791 468 F HA 0.174 4.692 4.527 -0.014 0.000 0.308 468 F C 1.722 177.651 175.800 0.215 0.000 1.138 468 F CA -0.858 57.338 58.000 0.327 0.000 1.294 468 F CB -0.660 38.592 39.000 0.419 0.000 0.975 468 F HN -0.012 nan 8.300 nan 0.000 0.512 469 K N 0.589 121.104 120.400 0.192 0.000 2.034 469 K HA -0.256 4.056 4.320 -0.014 0.000 0.214 469 K C 0.896 177.539 176.600 0.073 0.000 1.051 469 K CA 2.373 58.714 56.287 0.090 0.000 0.931 469 K CB -0.810 31.706 32.500 0.027 0.000 0.715 469 K HN 0.212 nan 8.250 nan 0.000 0.446 470 D N 0.233 120.640 120.400 0.012 0.000 2.133 470 D HA -0.143 4.489 4.640 -0.014 0.000 0.195 470 D C 2.069 178.247 176.300 -0.204 0.000 0.997 470 D CA 1.293 55.167 54.000 -0.210 0.000 0.840 470 D CB -0.361 40.211 40.800 -0.380 0.000 0.947 470 D HN 0.281 nan 8.370 nan 0.000 0.452 471 F N -0.054 119.972 119.950 0.127 0.000 2.186 471 F HA -0.146 4.373 4.527 -0.014 0.000 0.299 471 F C 2.373 178.276 175.800 0.172 0.000 1.090 471 F CA 0.552 58.709 58.000 0.261 0.000 1.307 471 F CB -0.676 38.575 39.000 0.419 0.000 1.019 471 F HN -0.033 nan 8.300 nan 0.000 0.489 472 Y N 1.186 121.381 120.300 -0.175 0.000 2.242 472 Y HA -0.151 4.391 4.550 -0.013 0.000 0.291 472 Y C 2.131 177.961 175.900 -0.118 0.000 1.137 472 Y CA 1.499 59.293 58.100 -0.509 0.000 1.181 472 Y CB -0.546 37.434 38.460 -0.800 0.000 0.989 472 Y HN 0.121 nan 8.280 nan 0.000 0.527 473 E N -0.003 120.076 120.200 -0.202 0.000 2.051 473 E HA -0.219 4.123 4.350 -0.014 0.000 0.192 473 E C 2.272 178.915 176.600 0.072 0.000 0.991 473 E CA 1.224 57.556 56.400 -0.113 0.000 0.799 473 E CB -0.314 29.354 29.700 -0.053 0.000 0.748 473 E HN 0.418 nan 8.360 nan 0.000 0.449 474 L N 0.818 122.144 121.223 0.172 0.000 1.994 474 L HA -0.132 4.200 4.340 -0.014 0.000 0.208 474 L C 0.361 177.301 176.870 0.116 0.000 1.071 474 L CA 1.663 56.645 54.840 0.237 0.000 0.745 474 L CB 0.020 42.228 42.059 0.247 0.000 0.892 474 L HN 0.103 nan 8.230 nan 0.000 0.431 475 E N -0.210 120.051 120.200 0.101 0.000 3.651 475 E HA 0.149 4.490 4.350 -0.014 0.000 0.220 475 E C -1.850 174.682 176.600 -0.113 0.000 1.222 475 E CA -1.277 55.113 56.400 -0.017 0.000 1.114 475 E CB 0.886 30.591 29.700 0.009 0.000 1.278 475 E HN 0.291 nan 8.360 nan 0.000 0.412 476 P HA -0.245 nan 4.420 nan 0.000 0.219 476 P C 1.130 178.526 177.300 0.160 0.000 1.146 476 P CA 1.353 64.302 63.100 -0.251 0.000 0.808 476 P CB -0.041 31.355 31.700 -0.507 0.000 0.779 477 H N 0.094 119.275 119.070 0.185 0.000 2.545 477 H HA 0.104 4.651 4.556 -0.014 0.000 0.282 477 H C 1.341 176.791 175.328 0.204 0.000 1.020 477 H CA 0.594 56.748 56.048 0.177 0.000 1.243 477 H CB -0.465 29.368 29.762 0.118 0.000 1.377 477 H HN 0.179 nan 8.280 nan 0.000 0.581 478 K N 0.288 120.667 120.400 -0.034 0.000 2.243 478 K HA 0.063 4.375 4.320 -0.014 0.000 0.201 478 K C -0.180 176.386 176.600 -0.056 0.000 1.051 478 K CA 0.132 56.397 56.287 -0.037 0.000 0.970 478 K CB 0.186 32.562 32.500 -0.206 0.000 0.755 478 K HN 0.063 nan 8.250 nan 0.000 0.465 479 F N 2.362 122.364 119.950 0.086 0.000 2.445 479 F HA 0.141 4.660 4.527 -0.014 0.000 0.359 479 F C 0.574 176.392 175.800 0.029 0.000 1.101 479 F CA 0.048 58.096 58.000 0.080 0.000 1.177 479 F CB 0.675 39.787 39.000 0.185 0.000 1.110 479 F HN -0.070 nan 8.300 nan 0.000 0.522 480 Q N 1.963 121.794 119.800 0.053 0.000 2.587 480 Q HA 0.406 4.738 4.340 -0.014 0.000 0.293 480 Q C -1.133 174.823 176.000 -0.073 0.000 1.083 480 Q CA -1.286 54.502 55.803 -0.025 0.000 0.792 480 Q CB 3.163 31.837 28.738 -0.107 0.000 1.484 480 Q HN 0.620 nan 8.270 nan 0.000 0.446 481 N N 0.419 119.057 118.700 -0.103 0.000 2.240 481 N HA 0.293 5.025 4.740 -0.014 0.000 0.302 481 N C -1.556 173.851 175.510 -0.171 0.000 1.106 481 N CA -0.421 52.563 53.050 -0.110 0.000 0.778 481 N CB 1.361 39.807 38.487 -0.069 0.000 1.431 481 N HN 0.299 nan 8.380 nan 0.000 0.479 482 K N 2.527 122.827 120.400 -0.167 0.000 2.764 482 K HA 0.180 4.492 4.320 -0.014 0.000 0.239 482 K C -1.054 175.537 176.600 -0.015 0.000 1.048 482 K CA -0.470 55.693 56.287 -0.206 0.000 1.057 482 K CB 1.190 33.344 32.500 -0.577 0.000 1.251 482 K HN 0.569 nan 8.250 nan 0.000 0.524 483 T N 2.007 116.579 114.554 0.030 0.000 2.908 483 T HA 0.045 4.387 4.350 -0.014 0.000 0.301 483 T C 0.806 175.627 174.700 0.202 0.000 1.019 483 T CA 0.350 62.522 62.100 0.121 0.000 1.152 483 T CB 0.259 69.209 68.868 0.137 0.000 0.966 483 T HN 0.349 nan 8.240 nan 0.000 0.540 484 N N 0.658 119.497 118.700 0.232 0.000 2.267 484 N HA 0.370 5.102 4.740 -0.014 0.000 0.226 484 N C 0.488 176.182 175.510 0.306 0.000 1.314 484 N CA -0.177 53.041 53.050 0.280 0.000 0.887 484 N CB 0.366 38.961 38.487 0.180 0.000 1.120 484 N HN 0.764 nan 8.380 nan 0.000 0.440 485 G N -0.371 108.615 108.800 0.310 0.000 2.682 485 G HA2 0.637 4.589 3.960 -0.014 0.000 0.290 485 G HA3 0.637 4.589 3.960 -0.014 0.000 0.290 485 G C -1.622 173.415 174.900 0.229 0.000 1.425 485 G CA -0.413 44.859 45.100 0.287 0.000 0.807 485 G HN 0.395 nan 8.290 nan 0.000 0.482 486 I N -0.538 120.154 120.570 0.203 0.000 2.846 486 I HA 0.635 4.797 4.170 -0.014 0.000 0.307 486 I C 0.211 176.490 176.117 0.270 0.000 1.053 486 I CA -0.662 60.755 61.300 0.194 0.000 1.050 486 I CB 2.685 40.702 38.000 0.028 0.000 1.239 486 I HN 0.486 nan 8.210 nan 0.000 0.439 487 T N 5.868 120.645 114.554 0.370 0.000 2.744 487 T HA 0.403 4.745 4.350 -0.014 0.000 0.291 487 T C -1.788 173.024 174.700 0.187 0.000 0.957 487 T CA -1.920 60.306 62.100 0.210 0.000 1.002 487 T CB 1.144 70.085 68.868 0.122 0.000 0.919 487 T HN 0.399 nan 8.240 nan 0.000 0.468 488 P HA -0.056 nan 4.420 nan 0.000 0.223 488 P C 1.050 178.320 177.300 -0.050 0.000 1.144 488 P CA 0.680 63.811 63.100 0.052 0.000 0.783 488 P CB 0.367 32.078 31.700 0.018 0.000 0.771 489 R N 0.463 120.885 120.500 -0.129 0.000 2.051 489 R HA 0.052 4.384 4.340 -0.014 0.000 0.225 489 R C 2.774 178.960 176.300 -0.190 0.000 1.155 489 R CA 1.506 57.492 56.100 -0.190 0.000 0.945 489 R CB -0.785 29.404 30.300 -0.185 0.000 0.840 489 R HN 0.156 nan 8.270 nan 0.000 0.432 490 R N -1.101 119.216 120.500 -0.306 0.000 2.092 490 R HA -0.079 4.253 4.340 -0.014 0.000 0.231 490 R C 1.448 177.451 176.300 -0.494 0.000 1.119 490 R CA 1.372 57.159 56.100 -0.520 0.000 0.970 490 R CB -0.250 29.444 30.300 -1.011 0.000 0.864 490 R HN 0.320 nan 8.270 nan 0.000 0.440 491 W N 0.504 121.763 121.300 -0.068 0.000 3.438 491 W HA 0.187 4.838 4.660 -0.014 0.000 0.322 491 W C 1.019 177.509 176.519 -0.048 0.000 1.261 491 W CA -0.490 56.814 57.345 -0.067 0.000 1.788 491 W CB 0.363 29.791 29.460 -0.054 0.000 1.065 491 W HN 0.136 nan 8.180 nan 0.000 0.715 492 L N -2.670 118.616 121.223 0.105 0.000 1.719 492 L HA 0.109 4.441 4.340 -0.014 0.000 0.119 492 L C 1.659 178.550 176.870 0.036 0.000 1.421 492 L CA 0.627 55.519 54.840 0.088 0.000 1.093 492 L CB -0.764 41.368 42.059 0.123 0.000 2.237 492 L HN -0.266 nan 8.230 nan 0.000 0.465 493 V N 1.369 121.282 119.914 -0.001 0.000 2.407 493 V HA -0.230 3.881 4.120 -0.014 0.000 0.248 493 V C 2.325 178.399 176.094 -0.034 0.000 1.055 493 V CA 2.477 64.766 62.300 -0.018 0.000 1.049 493 V CB -0.661 31.120 31.823 -0.069 0.000 0.662 493 V HN 0.524 nan 8.190 nan 0.000 0.455 494 L N 0.402 121.579 121.223 -0.077 0.000 2.145 494 L HA -0.095 4.237 4.340 -0.014 0.000 0.201 494 L C 2.522 179.338 176.870 -0.090 0.000 1.075 494 L CA 1.856 56.637 54.840 -0.099 0.000 0.773 494 L CB -0.207 41.752 42.059 -0.167 0.000 0.936 494 L HN 0.568 nan 8.230 nan 0.000 0.451 495 C N -1.127 118.116 119.300 -0.094 0.000 2.468 495 C HA 0.154 4.606 4.460 -0.014 0.000 0.277 495 C C 1.167 176.145 174.990 -0.021 0.000 1.400 495 C CA -0.176 58.807 59.018 -0.058 0.000 1.770 495 C CB -1.317 26.403 27.740 -0.032 0.000 1.905 495 C HN 0.614 nan 8.230 nan 0.000 0.519 496 N N 1.005 119.702 118.700 -0.005 0.000 2.711 496 N HA 0.278 5.010 4.740 -0.014 0.000 0.263 496 N C -1.784 173.737 175.510 0.017 0.000 1.667 496 N CA -1.600 51.454 53.050 0.008 0.000 0.785 496 N CB 0.833 39.331 38.487 0.018 0.000 1.231 496 N HN 0.204 nan 8.380 nan 0.000 0.503 497 P HA -0.026 nan 4.420 nan 0.000 0.218 497 P C 1.384 178.699 177.300 0.024 0.000 1.149 497 P CA 0.857 63.968 63.100 0.018 0.000 0.817 497 P CB 0.260 31.963 31.700 0.007 0.000 0.785 498 G N 0.592 109.401 108.800 0.014 0.000 2.440 498 G HA2 -0.244 3.708 3.960 -0.014 0.000 0.218 498 G HA3 -0.244 3.708 3.960 -0.014 0.000 0.218 498 G C 1.510 176.417 174.900 0.011 0.000 1.154 498 G CA 0.664 45.770 45.100 0.009 0.000 0.767 498 G HN 0.240 nan 8.290 nan 0.000 0.552 499 L N 1.292 122.522 121.223 0.012 0.000 2.044 499 L HA 0.292 4.624 4.340 -0.014 0.000 0.205 499 L C 3.053 179.950 176.870 0.046 0.000 1.075 499 L CA 2.078 56.922 54.840 0.007 0.000 0.747 499 L CB -0.916 41.146 42.059 0.006 0.000 0.903 499 L HN 0.219 nan 8.230 nan 0.000 0.435 500 A N -0.755 122.117 122.820 0.086 0.000 1.978 500 A HA -0.232 4.080 4.320 -0.014 0.000 0.220 500 A C 2.079 179.751 177.584 0.148 0.000 1.170 500 A CA 1.839 53.980 52.037 0.173 0.000 0.636 500 A CB -0.595 18.512 19.000 0.180 0.000 0.810 500 A HN 0.648 nan 8.150 nan 0.000 0.448 501 E N -0.001 120.251 120.200 0.087 0.000 2.028 501 E HA -0.165 4.177 4.350 -0.014 0.000 0.191 501 E C 1.988 178.632 176.600 0.073 0.000 0.988 501 E CA 1.491 57.935 56.400 0.073 0.000 0.799 501 E CB -0.476 29.250 29.700 0.044 0.000 0.755 501 E HN 0.895 nan 8.360 nan 0.000 0.447 502 I N -0.951 119.660 120.570 0.069 0.000 2.614 502 I HA -0.137 4.025 4.170 -0.014 0.000 0.258 502 I C 2.031 178.255 176.117 0.180 0.000 1.189 502 I CA 1.085 62.450 61.300 0.109 0.000 1.462 502 I CB -0.225 37.816 38.000 0.068 0.000 1.092 502 I HN 0.022 nan 8.210 nan 0.000 0.442 503 I N 1.964 122.600 120.570 0.109 0.000 2.235 503 I HA -0.124 4.038 4.170 -0.014 0.000 0.241 503 I C 3.006 179.096 176.117 -0.045 0.000 1.085 503 I CA 1.203 62.504 61.300 0.001 0.000 1.378 503 I CB -0.524 37.366 38.000 -0.183 0.000 1.076 503 I HN 0.266 nan 8.210 nan 0.000 0.415 504 A N 0.568 123.445 122.820 0.094 0.000 1.972 504 A HA -0.224 4.088 4.320 -0.014 0.000 0.219 504 A C 2.134 179.747 177.584 0.048 0.000 1.169 504 A CA 1.610 53.741 52.037 0.156 0.000 0.635 504 A CB -0.610 18.510 19.000 0.200 0.000 0.810 504 A HN 0.453 nan 8.150 nan 0.000 0.446 505 E N -0.684 119.525 120.200 0.016 0.000 2.118 505 E HA -0.200 4.142 4.350 -0.014 0.000 0.195 505 E C 2.274 178.828 176.600 -0.078 0.000 0.992 505 E CA 1.174 57.565 56.400 -0.015 0.000 0.804 505 E CB -0.043 29.657 29.700 0.000 0.000 0.741 505 E HN 0.460 nan 8.360 nan 0.000 0.458 506 R N 0.289 120.676 120.500 -0.188 0.000 2.048 506 R HA 0.065 4.397 4.340 -0.014 0.000 0.221 506 R C 2.455 178.626 176.300 -0.216 0.000 1.174 506 R CA 0.979 56.867 56.100 -0.353 0.000 0.971 506 R CB -0.663 29.079 30.300 -0.930 0.000 0.863 506 R HN 0.310 nan 8.270 nan 0.000 0.439 507 I N -2.057 118.401 120.570 -0.186 0.000 3.956 507 I HA 0.401 4.563 4.170 -0.014 0.000 0.333 507 I C 0.404 176.547 176.117 0.044 0.000 1.302 507 I CA 0.215 61.478 61.300 -0.061 0.000 1.122 507 I CB 0.345 38.295 38.000 -0.083 0.000 1.013 507 I HN 0.216 nan 8.210 nan 0.000 0.405 508 G N 2.068 110.912 108.800 0.073 0.000 2.710 508 G HA2 -0.201 3.751 3.960 -0.014 0.000 0.668 508 G HA3 -0.201 3.751 3.960 -0.014 0.000 0.668 508 G C -0.167 174.858 174.900 0.210 0.000 1.320 508 G CA -0.004 45.162 45.100 0.110 0.000 0.860 508 G HN 0.464 nan 8.290 nan 0.000 0.538 509 E N -0.450 119.816 120.200 0.111 0.000 2.474 509 E HA 0.091 4.433 4.350 -0.014 0.000 0.195 509 E C 1.765 178.314 176.600 -0.085 0.000 1.039 509 E CA 0.045 56.441 56.400 -0.006 0.000 0.881 509 E CB 0.369 30.063 29.700 -0.009 0.000 0.970 509 E HN 0.412 nan 8.360 nan 0.000 0.486 510 E N 0.566 120.780 120.200 0.023 0.000 2.338 510 E HA -0.167 4.175 4.350 -0.014 0.000 0.197 510 E C 1.448 178.047 176.600 -0.001 0.000 1.007 510 E CA 0.687 57.096 56.400 0.015 0.000 0.849 510 E CB 0.021 29.750 29.700 0.050 0.000 0.774 510 E HN 0.558 nan 8.360 nan 0.000 0.506 511 Y N -0.989 119.315 120.300 0.005 0.000 2.497 511 Y HA -0.071 4.472 4.550 -0.012 0.000 0.292 511 Y C 1.794 177.669 175.900 -0.041 0.000 1.137 511 Y CA 0.468 58.563 58.100 -0.009 0.000 1.285 511 Y CB -0.382 38.075 38.460 -0.004 0.000 0.991 511 Y HN -0.083 nan 8.280 nan 0.000 0.556 512 I N 0.984 121.163 120.570 -0.653 0.000 2.493 512 I HA -0.166 3.996 4.170 -0.014 0.000 0.254 512 I C 1.564 177.453 176.117 -0.380 0.000 1.160 512 I CA 1.538 62.459 61.300 -0.631 0.000 1.445 512 I CB -1.257 36.238 38.000 -0.842 0.000 1.086 512 I HN 0.486 nan 8.210 nan 0.000 0.433 513 S N -1.514 114.065 115.700 -0.202 0.000 2.629 513 S HA 0.160 4.622 4.470 -0.014 0.000 0.236 513 S C 0.417 175.005 174.600 -0.020 0.000 1.010 513 S CA -0.393 57.757 58.200 -0.084 0.000 0.981 513 S CB 0.441 63.648 63.200 0.013 0.000 0.919 513 S HN 0.255 nan 8.310 nan 0.000 0.514 514 D N 1.315 121.713 120.400 -0.002 0.000 2.513 514 D HA 0.299 4.931 4.640 -0.014 0.000 0.295 514 D C 0.657 177.002 176.300 0.074 0.000 1.202 514 D CA -0.376 53.645 54.000 0.034 0.000 0.849 514 D CB 0.075 40.900 40.800 0.042 0.000 1.116 514 D HN 0.118 nan 8.370 nan 0.000 0.502 515 L N 0.739 122.006 121.223 0.074 0.000 2.353 515 L HA -0.097 4.235 4.340 -0.014 0.000 0.220 515 L C 1.237 178.153 176.870 0.077 0.000 1.133 515 L CA 0.886 55.795 54.840 0.116 0.000 0.798 515 L CB 0.136 42.254 42.059 0.099 0.000 0.922 515 L HN 0.277 nan 8.230 nan 0.000 0.445 516 D N -0.163 120.262 120.400 0.042 0.000 2.218 516 D HA -0.204 4.428 4.640 -0.014 0.000 0.204 516 D C 1.934 178.252 176.300 0.031 0.000 0.976 516 D CA 0.885 54.896 54.000 0.019 0.000 0.853 516 D CB 0.042 40.842 40.800 0.000 0.000 0.939 516 D HN 0.489 nan 8.370 nan 0.000 0.481 517 Q N -0.104 119.729 119.800 0.056 0.000 2.449 517 Q HA -0.148 4.184 4.340 -0.014 0.000 0.214 517 Q C 1.744 177.761 176.000 0.028 0.000 0.986 517 Q CA 0.251 56.089 55.803 0.058 0.000 0.893 517 Q CB 0.030 28.830 28.738 0.103 0.000 0.940 517 Q HN 0.191 nan 8.270 nan 0.000 0.477 518 L N 0.465 121.696 121.223 0.013 0.000 2.376 518 L HA -0.103 4.229 4.340 -0.014 0.000 0.219 518 L C 2.018 178.887 176.870 -0.001 0.000 1.133 518 L CA 1.233 56.051 54.840 -0.037 0.000 0.816 518 L CB -0.347 41.694 42.059 -0.029 0.000 0.933 518 L HN 0.072 nan 8.230 nan 0.000 0.449 519 R N 0.176 120.684 120.500 0.014 0.000 2.133 519 R HA -0.187 4.145 4.340 -0.014 0.000 0.247 519 R C 1.948 178.265 176.300 0.027 0.000 1.151 519 R CA 1.096 57.207 56.100 0.019 0.000 0.971 519 R CB -0.520 29.786 30.300 0.010 0.000 0.866 519 R HN 0.444 nan 8.270 nan 0.000 0.447 520 K N 0.535 120.953 120.400 0.029 0.000 2.280 520 K HA -0.067 4.245 4.320 -0.014 0.000 0.202 520 K C 2.066 178.736 176.600 0.117 0.000 1.047 520 K CA 0.691 57.011 56.287 0.055 0.000 0.942 520 K CB -0.153 32.379 32.500 0.054 0.000 0.739 520 K HN 0.215 nan 8.250 nan 0.000 0.457 521 L N 0.604 121.879 121.223 0.086 0.000 2.275 521 L HA -0.156 4.176 4.340 -0.014 0.000 0.215 521 L C 2.025 179.021 176.870 0.210 0.000 1.119 521 L CA 0.187 55.115 54.840 0.148 0.000 0.790 521 L CB -0.257 41.855 42.059 0.087 0.000 0.919 521 L HN 0.129 nan 8.230 nan 0.000 0.443 522 L N -0.028 121.260 121.223 0.109 0.000 2.127 522 L HA -0.197 4.135 4.340 -0.014 0.000 0.211 522 L C 2.675 179.553 176.870 0.014 0.000 1.089 522 L CA 1.898 56.777 54.840 0.066 0.000 0.757 522 L CB -0.762 41.316 42.059 0.031 0.000 0.899 522 L HN 0.320 nan 8.230 nan 0.000 0.434 523 S N -2.660 112.998 115.700 -0.069 0.000 2.607 523 S HA -0.082 4.380 4.470 -0.014 0.000 0.224 523 S C 1.230 175.554 174.600 -0.461 0.000 0.969 523 S CA 0.253 58.294 58.200 -0.265 0.000 0.927 523 S CB -0.563 62.427 63.200 -0.350 0.000 0.772 523 S HN 0.460 nan 8.310 nan 0.000 0.533 524 Y N 0.056 120.307 120.300 -0.081 0.000 2.485 524 Y HA 0.422 4.970 4.550 -0.004 0.000 0.260 524 Y C 1.939 177.885 175.900 0.077 0.000 1.173 524 Y CA -0.765 57.289 58.100 -0.077 0.000 1.252 524 Y CB -0.180 38.060 38.460 -0.367 0.000 1.123 524 Y HN 0.231 nan 8.280 nan 0.000 0.524 525 V N 0.433 120.434 119.914 0.145 0.000 2.828 525 V HA -0.224 3.888 4.120 -0.014 0.000 0.260 525 V C 0.947 177.102 176.094 0.103 0.000 1.101 525 V CA 2.259 64.642 62.300 0.138 0.000 1.123 525 V CB -0.045 31.825 31.823 0.078 0.000 0.704 525 V HN 0.392 nan 8.190 nan 0.000 0.493 526 D N -0.728 119.713 120.400 0.069 0.000 2.469 526 D HA 0.121 4.753 4.640 -0.014 0.000 0.215 526 D C 0.110 176.449 176.300 0.065 0.000 1.154 526 D CA -0.065 53.965 54.000 0.051 0.000 0.832 526 D CB 0.313 41.121 40.800 0.013 0.000 1.008 526 D HN 0.500 nan 8.370 nan 0.000 0.506 527 D N 1.566 122.034 120.400 0.113 0.000 2.317 527 D HA -0.023 4.609 4.640 -0.014 0.000 0.252 527 D C 1.132 177.536 176.300 0.174 0.000 1.174 527 D CA 0.069 54.154 54.000 0.142 0.000 0.866 527 D CB 1.353 42.285 40.800 0.219 0.000 1.127 527 D HN -0.215 nan 8.370 nan 0.000 0.467 528 E N 2.851 123.121 120.200 0.117 0.000 2.208 528 E HA -0.091 4.251 4.350 -0.014 0.000 0.193 528 E C 1.467 178.130 176.600 0.106 0.000 0.988 528 E CA 0.575 57.032 56.400 0.094 0.000 0.828 528 E CB 0.192 29.927 29.700 0.059 0.000 0.763 528 E HN 0.655 nan 8.360 nan 0.000 0.478 529 A N 0.511 123.410 122.820 0.132 0.000 1.872 529 A HA -0.141 4.171 4.320 -0.014 0.000 0.214 529 A C 1.985 179.682 177.584 0.188 0.000 1.187 529 A CA 0.805 52.920 52.037 0.129 0.000 0.614 529 A CB -0.768 18.308 19.000 0.126 0.000 0.826 529 A HN 0.270 nan 8.150 nan 0.000 0.442 530 F N 0.691 120.668 119.950 0.045 0.000 2.134 530 F HA -0.140 4.381 4.527 -0.011 0.000 0.299 530 F C 2.026 177.842 175.800 0.027 0.000 1.097 530 F CA 1.223 59.240 58.000 0.028 0.000 1.264 530 F CB -0.360 38.678 39.000 0.063 0.000 1.001 530 F HN 0.165 nan 8.300 nan 0.000 0.479 531 I N -0.189 120.456 120.570 0.126 0.000 2.264 531 I HA -0.341 3.821 4.170 -0.014 0.000 0.248 531 I C 2.624 178.710 176.117 -0.051 0.000 1.111 531 I CA 1.697 62.998 61.300 0.001 0.000 1.382 531 I CB -0.423 37.612 38.000 0.059 0.000 1.060 531 I HN 0.085 nan 8.210 nan 0.000 0.418 532 R N 0.678 121.168 120.500 -0.016 0.000 2.115 532 R HA -0.147 4.185 4.340 -0.014 0.000 0.226 532 R C 1.758 178.022 176.300 -0.061 0.000 1.100 532 R CA 1.467 57.550 56.100 -0.028 0.000 0.980 532 R CB -0.061 30.240 30.300 0.001 0.000 0.875 532 R HN 0.239 nan 8.270 nan 0.000 0.445 533 D N -0.035 120.314 120.400 -0.084 0.000 2.103 533 D HA -0.106 4.526 4.640 -0.014 0.000 0.199 533 D C 1.945 178.128 176.300 -0.196 0.000 0.978 533 D CA 1.212 55.145 54.000 -0.111 0.000 0.829 533 D CB -0.166 40.590 40.800 -0.074 0.000 0.981 533 D HN 0.051 nan 8.370 nan 0.000 0.464 534 V N 1.485 121.183 119.914 -0.360 0.000 2.287 534 V HA -0.270 3.842 4.120 -0.014 0.000 0.248 534 V C 2.471 178.467 176.094 -0.163 0.000 1.053 534 V CA 1.998 64.093 62.300 -0.343 0.000 1.027 534 V CB -0.759 30.797 31.823 -0.445 0.000 0.646 534 V HN 0.200 nan 8.190 nan 0.000 0.447 535 A N -1.057 121.691 122.820 -0.119 0.000 2.015 535 A HA -0.191 4.121 4.320 -0.014 0.000 0.219 535 A C 2.353 179.902 177.584 -0.058 0.000 1.163 535 A CA 1.767 53.766 52.037 -0.063 0.000 0.646 535 A CB -0.385 18.585 19.000 -0.049 0.000 0.806 535 A HN 0.495 nan 8.150 nan 0.000 0.448 536 K N 0.203 120.564 120.400 -0.064 0.000 2.062 536 K HA -0.089 4.222 4.320 -0.014 0.000 0.205 536 K C 1.993 178.568 176.600 -0.042 0.000 1.051 536 K CA 1.643 57.902 56.287 -0.047 0.000 0.941 536 K CB -0.279 32.197 32.500 -0.040 0.000 0.719 536 K HN 0.431 nan 8.250 nan 0.000 0.440 537 V N -0.339 119.545 119.914 -0.051 0.000 2.427 537 V HA -0.143 3.968 4.120 -0.014 0.000 0.248 537 V C 2.208 178.284 176.094 -0.029 0.000 1.051 537 V CA 1.780 64.059 62.300 -0.036 0.000 1.048 537 V CB -0.590 31.209 31.823 -0.040 0.000 0.666 537 V HN 0.132 nan 8.190 nan 0.000 0.456 538 K N 0.749 121.129 120.400 -0.034 0.000 2.097 538 K HA -0.198 4.114 4.320 -0.014 0.000 0.206 538 K C 2.262 178.834 176.600 -0.048 0.000 1.049 538 K CA 2.085 58.357 56.287 -0.025 0.000 0.933 538 K CB -0.674 31.825 32.500 -0.001 0.000 0.717 538 K HN 0.564 nan 8.250 nan 0.000 0.442 539 Q N 0.930 120.700 119.800 -0.050 0.000 2.124 539 Q HA -0.085 4.246 4.340 -0.014 0.000 0.202 539 Q C 1.621 177.600 176.000 -0.035 0.000 0.977 539 Q CA 1.854 57.622 55.803 -0.059 0.000 0.850 539 Q CB -0.027 28.682 28.738 -0.049 0.000 0.901 539 Q HN 0.508 nan 8.270 nan 0.000 0.429 540 E N -0.665 119.524 120.200 -0.017 0.000 2.072 540 E HA -0.121 4.220 4.350 -0.014 0.000 0.190 540 E C 1.682 178.296 176.600 0.023 0.000 0.982 540 E CA 0.860 57.262 56.400 0.004 0.000 0.803 540 E CB 0.009 29.710 29.700 0.002 0.000 0.755 540 E HN 0.390 nan 8.360 nan 0.000 0.453 541 N N 1.018 119.729 118.700 0.018 0.000 2.120 541 N HA -0.135 4.597 4.740 -0.014 0.000 0.188 541 N C 1.512 177.075 175.510 0.088 0.000 1.024 541 N CA 1.002 54.080 53.050 0.047 0.000 0.852 541 N CB -0.096 38.405 38.487 0.023 0.000 1.003 541 N HN 0.106 nan 8.380 nan 0.000 0.424 542 K N 0.717 121.125 120.400 0.015 0.000 2.026 542 K HA -0.023 4.289 4.320 -0.014 0.000 0.208 542 K C 2.145 178.818 176.600 0.121 0.000 1.048 542 K CA 0.731 57.008 56.287 -0.015 0.000 0.929 542 K CB -0.252 32.041 32.500 -0.344 0.000 0.713 542 K HN 0.104 nan 8.250 nan 0.000 0.439 543 L N 1.181 122.442 121.223 0.063 0.000 1.990 543 L HA -0.249 4.083 4.340 -0.014 0.000 0.213 543 L C 2.597 179.546 176.870 0.131 0.000 1.072 543 L CA 1.418 56.312 54.840 0.091 0.000 0.755 543 L CB -0.379 41.711 42.059 0.052 0.000 0.889 543 L HN 0.156 nan 8.230 nan 0.000 0.432 544 K N -0.753 119.727 120.400 0.133 0.000 2.148 544 K HA -0.188 4.124 4.320 -0.014 0.000 0.204 544 K C 2.087 178.818 176.600 0.218 0.000 1.050 544 K CA 1.369 57.744 56.287 0.146 0.000 0.942 544 K CB -0.129 32.443 32.500 0.119 0.000 0.724 544 K HN 0.149 nan 8.250 nan 0.000 0.446 545 F N 1.159 121.186 119.950 0.128 0.000 2.234 545 F HA -0.002 4.517 4.527 -0.013 0.000 0.296 545 F C 2.026 177.950 175.800 0.207 0.000 1.089 545 F CA 0.874 58.963 58.000 0.148 0.000 1.343 545 F CB -0.258 38.827 39.000 0.141 0.000 1.040 545 F HN -0.055 nan 8.300 nan 0.000 0.498 546 A N 0.338 123.298 122.820 0.233 0.000 1.972 546 A HA -0.048 4.264 4.320 -0.014 0.000 0.219 546 A C 2.386 179.979 177.584 0.014 0.000 1.169 546 A CA 1.719 53.817 52.037 0.101 0.000 0.635 546 A CB -1.419 17.699 19.000 0.196 0.000 0.810 546 A HN 0.453 nan 8.150 nan 0.000 0.446 547 A N -1.319 121.538 122.820 0.061 0.000 1.872 547 A HA -0.039 4.273 4.320 -0.014 0.000 0.214 547 A C 2.113 179.706 177.584 0.014 0.000 1.187 547 A CA 1.493 53.557 52.037 0.046 0.000 0.614 547 A CB -0.899 18.142 19.000 0.068 0.000 0.826 547 A HN 0.777 nan 8.150 nan 0.000 0.442 548 Y N 0.201 120.431 120.300 -0.117 0.000 2.151 548 Y HA -0.238 4.304 4.550 -0.013 0.000 0.284 548 Y C 1.872 177.633 175.900 -0.232 0.000 1.166 548 Y CA 1.817 59.817 58.100 -0.166 0.000 1.163 548 Y CB -0.383 37.975 38.460 -0.169 0.000 0.974 548 Y HN 0.197 nan 8.280 nan 0.000 0.511 549 L N 0.962 122.098 121.223 -0.145 0.000 1.970 549 L HA -0.236 4.096 4.340 -0.014 0.000 0.212 549 L C 2.409 179.200 176.870 -0.131 0.000 1.071 549 L CA 2.247 56.987 54.840 -0.167 0.000 0.751 549 L CB -1.108 40.819 42.059 -0.220 0.000 0.889 549 L HN 0.336 nan 8.230 nan 0.000 0.432 550 E N -1.418 118.733 120.200 -0.081 0.000 2.150 550 E HA -0.192 4.150 4.350 -0.014 0.000 0.193 550 E C 2.167 178.713 176.600 -0.091 0.000 0.985 550 E CA 0.669 57.045 56.400 -0.038 0.000 0.814 550 E CB 0.023 29.738 29.700 0.026 0.000 0.752 550 E HN 0.413 nan 8.360 nan 0.000 0.466 551 R N 0.932 121.342 120.500 -0.150 0.000 2.187 551 R HA -0.159 4.172 4.340 -0.014 0.000 0.215 551 R C 2.213 178.327 176.300 -0.310 0.000 1.106 551 R CA 1.532 57.513 56.100 -0.199 0.000 0.869 551 R CB -0.310 29.858 30.300 -0.220 0.000 0.789 551 R HN -0.031 nan 8.270 nan 0.000 0.447 552 E N -1.029 118.804 120.200 -0.611 0.000 2.338 552 E HA -0.127 4.215 4.350 -0.014 0.000 0.197 552 E C 0.189 176.443 176.600 -0.577 0.000 1.007 552 E CA 1.110 57.044 56.400 -0.776 0.000 0.849 552 E CB 0.272 29.102 29.700 -1.451 0.000 0.774 552 E HN 0.407 nan 8.360 nan 0.000 0.506 553 Y N -2.061 118.093 120.300 -0.242 0.000 2.926 553 Y HA 0.338 4.880 4.550 -0.014 0.000 0.279 553 Y C 0.209 176.063 175.900 -0.077 0.000 1.035 553 Y CA -0.509 57.515 58.100 -0.126 0.000 1.268 553 Y CB 0.643 39.044 38.460 -0.098 0.000 1.392 553 Y HN -0.272 nan 8.280 nan 0.000 0.585 554 K N 0.742 121.172 120.400 0.050 0.000 2.399 554 K HA 0.799 5.111 4.320 -0.014 0.000 0.260 554 K C -0.772 175.859 176.600 0.051 0.000 1.049 554 K CA -0.806 55.511 56.287 0.050 0.000 0.890 554 K CB 2.684 35.201 32.500 0.029 0.000 1.430 554 K HN -0.217 nan 8.250 nan 0.000 0.459 555 V N -0.575 119.377 119.914 0.063 0.000 2.383 555 V HA 0.321 4.433 4.120 -0.014 0.000 0.261 555 V C -0.345 175.817 176.094 0.114 0.000 0.987 555 V CA -0.863 61.488 62.300 0.085 0.000 0.853 555 V CB 0.066 31.935 31.823 0.077 0.000 1.095 555 V HN 0.870 nan 8.190 nan 0.000 0.461 556 H N 2.230 121.301 119.070 0.002 0.000 2.848 556 H HA -0.210 4.338 4.556 -0.013 0.000 0.284 556 H C -0.214 175.112 175.328 -0.004 0.000 0.850 556 H CA 1.770 57.819 56.048 0.002 0.000 1.282 556 H CB 0.200 29.970 29.762 0.012 0.000 1.099 556 H HN 1.025 nan 8.280 nan 0.000 0.661 557 I N 0.264 120.509 120.570 -0.540 0.000 3.294 557 I HA 0.495 4.657 4.170 -0.014 0.000 0.311 557 I C -0.291 175.573 176.117 -0.422 0.000 1.111 557 I CA -1.304 59.776 61.300 -0.367 0.000 0.976 557 I CB 2.015 39.883 38.000 -0.219 0.000 1.260 557 I HN 0.605 nan 8.210 nan 0.000 0.474 558 N N 1.573 120.220 118.700 -0.088 0.000 2.479 558 N HA 0.481 5.213 4.740 -0.014 0.000 0.261 558 N C -2.324 173.304 175.510 0.196 0.000 0.979 558 N CA -2.590 50.484 53.050 0.039 0.000 0.930 558 N CB 1.662 40.193 38.487 0.073 0.000 1.172 558 N HN 0.301 nan 8.380 nan 0.000 0.499 559 P HA 0.071 nan 4.420 nan 0.000 0.230 559 P C -0.170 177.109 177.300 -0.036 0.000 1.158 559 P CA 0.953 64.117 63.100 0.107 0.000 0.769 559 P CB 0.166 31.903 31.700 0.062 0.000 0.807 560 N N -1.207 117.521 118.700 0.047 0.000 2.322 560 N HA 0.031 4.763 4.740 -0.014 0.000 0.194 560 N C 0.278 175.841 175.510 0.089 0.000 1.126 560 N CA -0.158 52.917 53.050 0.042 0.000 0.845 560 N CB 0.102 38.623 38.487 0.056 0.000 0.976 560 N HN 0.178 nan 8.380 nan 0.000 0.475 561 S N -0.130 115.633 115.700 0.106 0.000 2.713 561 S HA 0.328 4.790 4.470 -0.014 0.000 0.277 561 S C -0.081 174.487 174.600 -0.054 0.000 1.168 561 S CA -0.965 57.279 58.200 0.074 0.000 0.994 561 S CB 1.199 64.462 63.200 0.105 0.000 1.054 561 S HN 0.109 nan 8.310 nan 0.000 0.555 562 L N 1.386 122.398 121.223 -0.352 0.000 2.331 562 L HA 0.399 4.731 4.340 -0.014 0.000 0.278 562 L C -1.321 175.498 176.870 -0.085 0.000 1.106 562 L CA -0.615 53.784 54.840 -0.735 0.000 0.824 562 L CB 0.022 41.449 42.059 -1.054 0.000 1.142 562 L HN 0.585 nan 8.230 nan 0.000 0.443 563 F N 3.520 123.326 119.950 -0.241 0.000 2.335 563 F HA 0.213 4.733 4.527 -0.012 0.000 0.365 563 F C 0.313 176.049 175.800 -0.107 0.000 1.122 563 F CA -1.160 56.772 58.000 -0.112 0.000 1.151 563 F CB 0.490 39.471 39.000 -0.030 0.000 1.282 563 F HN 0.395 nan 8.300 nan 0.000 0.513 564 D N 3.952 124.360 120.400 0.013 0.000 2.411 564 D HA 0.294 4.926 4.640 -0.014 0.000 0.225 564 D C -0.984 175.276 176.300 -0.068 0.000 1.156 564 D CA 0.072 54.041 54.000 -0.052 0.000 0.874 564 D CB 1.009 41.759 40.800 -0.084 0.000 1.034 564 D HN 0.293 nan 8.370 nan 0.000 0.502 565 V N 2.785 122.653 119.914 -0.077 0.000 2.656 565 V HA 0.538 4.649 4.120 -0.014 0.000 0.307 565 V C -1.310 174.684 176.094 -0.166 0.000 1.051 565 V CA -0.743 61.502 62.300 -0.091 0.000 0.893 565 V CB 1.896 33.718 31.823 -0.001 0.000 0.999 565 V HN 0.492 nan 8.190 nan 0.000 0.426 566 Q N 4.590 124.290 119.800 -0.167 0.000 2.401 566 Q HA 0.677 5.008 4.340 -0.014 0.000 0.260 566 Q C -1.353 174.506 176.000 -0.236 0.000 1.034 566 Q CA -0.658 55.027 55.803 -0.196 0.000 0.737 566 Q CB 1.794 30.435 28.738 -0.161 0.000 1.227 566 Q HN 1.136 nan 8.270 nan 0.000 0.488 567 V N 2.250 122.012 119.914 -0.253 0.000 2.444 567 V HA 0.835 4.947 4.120 -0.014 0.000 0.294 567 V C -0.791 175.019 176.094 -0.473 0.000 1.022 567 V CA -0.611 61.338 62.300 -0.585 0.000 0.850 567 V CB 1.212 32.483 31.823 -0.919 0.000 0.992 567 V HN 0.825 nan 8.190 nan 0.000 0.426 568 K N 2.351 122.543 120.400 -0.346 0.000 2.809 568 K HA 0.478 4.790 4.320 -0.014 0.000 0.293 568 K C -1.201 175.428 176.600 0.048 0.000 1.061 568 K CA -1.142 55.134 56.287 -0.018 0.000 0.837 568 K CB 1.171 33.650 32.500 -0.034 0.000 1.524 568 K HN 0.459 nan 8.250 nan 0.000 0.370 569 R N 0.927 121.507 120.500 0.133 0.000 2.640 569 R HA 0.220 4.552 4.340 -0.014 0.000 0.270 569 R C 0.075 176.419 176.300 0.072 0.000 1.024 569 R CA -0.240 55.946 56.100 0.144 0.000 1.085 569 R CB -0.102 30.337 30.300 0.231 0.000 0.963 569 R HN 0.515 nan 8.270 nan 0.000 0.426 570 I N 4.895 125.475 120.570 0.018 0.000 2.396 570 I HA 0.146 4.307 4.170 -0.014 0.000 0.289 570 I C 0.346 176.372 176.117 -0.152 0.000 1.056 570 I CA 0.472 61.733 61.300 -0.066 0.000 1.365 570 I CB 0.195 38.148 38.000 -0.079 0.000 1.407 570 I HN 0.428 nan 8.210 nan 0.000 0.509 571 H N 4.242 123.226 119.070 -0.144 0.000 3.046 571 H HA 0.208 4.756 4.556 -0.014 0.000 0.363 571 H C 0.360 175.578 175.328 -0.184 0.000 1.203 571 H CA -0.440 55.554 56.048 -0.091 0.000 1.169 571 H CB 2.060 31.673 29.762 -0.248 0.000 1.851 571 H HN 0.520 nan 8.280 nan 0.000 0.546 572 E N 1.276 121.542 120.200 0.111 0.000 2.110 572 E HA -0.204 4.138 4.350 -0.014 0.000 0.193 572 E C 1.382 177.729 176.600 -0.421 0.000 0.988 572 E CA 1.545 57.927 56.400 -0.030 0.000 0.804 572 E CB 0.007 29.861 29.700 0.257 0.000 0.745 572 E HN 0.553 nan 8.360 nan 0.000 0.458 573 Y N 0.611 120.350 120.300 -0.935 0.000 2.439 573 Y HA 0.036 4.578 4.550 -0.014 0.000 0.292 573 Y C 1.373 177.034 175.900 -0.398 0.000 1.130 573 Y CA 0.520 57.988 58.100 -1.053 0.000 1.254 573 Y CB 0.104 37.914 38.460 -1.083 0.000 1.000 573 Y HN -0.197 nan 8.280 nan 0.000 0.554 574 K N 1.090 120.996 120.400 -0.822 0.000 2.418 574 K HA 0.079 4.391 4.320 -0.014 0.000 0.195 574 K C 0.122 176.545 176.600 -0.296 0.000 1.035 574 K CA 0.398 56.329 56.287 -0.593 0.000 1.003 574 K CB -0.161 32.037 32.500 -0.503 0.000 0.793 574 K HN 0.407 nan 8.250 nan 0.000 0.494 575 R N 1.265 121.621 120.500 -0.241 0.000 3.209 575 R HA -0.175 4.157 4.340 -0.014 0.000 0.252 575 R C 0.324 176.549 176.300 -0.125 0.000 0.958 575 R CA 0.121 56.134 56.100 -0.145 0.000 0.651 575 R CB -1.615 28.614 30.300 -0.118 0.000 1.142 575 R HN 0.209 nan 8.270 nan 0.000 0.441 576 Q N 0.133 119.864 119.800 -0.116 0.000 2.224 576 Q HA -0.008 4.324 4.340 -0.014 0.000 0.203 576 Q C 1.834 177.792 176.000 -0.069 0.000 0.970 576 Q CA 1.266 57.014 55.803 -0.091 0.000 0.865 576 Q CB 0.117 28.807 28.738 -0.080 0.000 0.922 576 Q HN 0.600 nan 8.270 nan 0.000 0.445 577 L N -0.505 120.681 121.223 -0.061 0.000 2.201 577 L HA -0.155 4.177 4.340 -0.014 0.000 0.212 577 L C 1.923 178.804 176.870 0.019 0.000 1.105 577 L CA 0.408 55.229 54.840 -0.033 0.000 0.775 577 L CB -0.334 41.716 42.059 -0.015 0.000 0.913 577 L HN 0.269 nan 8.230 nan 0.000 0.440 578 L N -0.042 121.179 121.223 -0.002 0.000 2.093 578 L HA -0.206 4.126 4.340 -0.014 0.000 0.208 578 L C 2.044 178.958 176.870 0.073 0.000 1.085 578 L CA 1.808 56.655 54.840 0.012 0.000 0.755 578 L CB -0.773 41.185 42.059 -0.169 0.000 0.904 578 L HN 0.300 nan 8.230 nan 0.000 0.435 579 N N -1.850 116.866 118.700 0.028 0.000 2.188 579 N HA -0.205 4.527 4.740 -0.014 0.000 0.184 579 N C 1.930 177.525 175.510 0.143 0.000 1.018 579 N CA 1.312 54.455 53.050 0.154 0.000 0.858 579 N CB -0.074 38.445 38.487 0.052 0.000 0.989 579 N HN 0.467 nan 8.380 nan 0.000 0.426 580 C N 0.784 120.107 119.300 0.040 0.000 2.413 580 C HA -0.069 4.383 4.460 -0.014 0.000 0.277 580 C C 2.625 177.629 174.990 0.023 0.000 1.228 580 C CA 0.318 59.317 59.018 -0.032 0.000 1.731 580 C CB -1.241 26.432 27.740 -0.111 0.000 2.042 580 C HN 0.517 nan 8.230 nan 0.000 0.468 581 L N 0.058 121.349 121.223 0.114 0.000 2.043 581 L HA -0.235 4.097 4.340 -0.014 0.000 0.212 581 L C 2.653 179.691 176.870 0.280 0.000 1.075 581 L CA 2.136 57.097 54.840 0.203 0.000 0.752 581 L CB -1.426 40.825 42.059 0.321 0.000 0.891 581 L HN 0.637 nan 8.230 nan 0.000 0.432 582 H N 0.002 119.193 119.070 0.202 0.000 2.321 582 H HA -0.142 4.406 4.556 -0.014 0.000 0.300 582 H C 2.233 177.568 175.328 0.011 0.000 1.087 582 H CA 2.027 58.116 56.048 0.068 0.000 1.319 582 H CB 0.331 30.096 29.762 0.004 0.000 1.379 582 H HN 0.093 nan 8.280 nan 0.000 0.501 583 V N 1.489 121.313 119.914 -0.150 0.000 2.287 583 V HA -0.274 3.837 4.120 -0.014 0.000 0.248 583 V C 2.865 178.908 176.094 -0.086 0.000 1.053 583 V CA 1.923 64.102 62.300 -0.203 0.000 1.027 583 V CB -0.544 31.217 31.823 -0.104 0.000 0.646 583 V HN 0.383 nan 8.190 nan 0.000 0.447 584 I N -0.090 120.481 120.570 0.003 0.000 2.208 584 I HA -0.257 3.905 4.170 -0.014 0.000 0.245 584 I C 2.544 178.749 176.117 0.147 0.000 1.097 584 I CA 1.853 63.251 61.300 0.163 0.000 1.363 584 I CB -0.717 37.378 38.000 0.158 0.000 1.051 584 I HN 0.338 nan 8.210 nan 0.000 0.413 585 T N 1.205 115.793 114.554 0.057 0.000 2.635 585 T HA -0.218 4.124 4.350 -0.014 0.000 0.267 585 T C 1.879 176.549 174.700 -0.050 0.000 1.040 585 T CA 1.436 63.551 62.100 0.025 0.000 1.156 585 T CB -0.407 68.491 68.868 0.050 0.000 0.863 585 T HN 0.094 nan 8.240 nan 0.000 0.430 586 L N 0.100 121.232 121.223 -0.152 0.000 2.043 586 L HA -0.101 4.231 4.340 -0.014 0.000 0.212 586 L C 2.169 179.006 176.870 -0.055 0.000 1.075 586 L CA 1.678 56.426 54.840 -0.153 0.000 0.752 586 L CB -1.022 40.882 42.059 -0.260 0.000 0.891 586 L HN 0.360 nan 8.230 nan 0.000 0.432 587 Y N 0.253 120.507 120.300 -0.078 0.000 2.145 587 Y HA -0.255 4.286 4.550 -0.014 0.000 0.286 587 Y C 2.451 178.340 175.900 -0.020 0.000 1.145 587 Y CA 1.892 59.981 58.100 -0.019 0.000 1.148 587 Y CB -0.375 38.124 38.460 0.065 0.000 0.981 587 Y HN 0.275 nan 8.280 nan 0.000 0.507 588 N N 0.393 118.995 118.700 -0.163 0.000 2.166 588 N HA -0.131 4.601 4.740 -0.014 0.000 0.186 588 N C 1.915 177.297 175.510 -0.213 0.000 1.019 588 N CA 1.505 54.409 53.050 -0.244 0.000 0.856 588 N CB -0.346 38.083 38.487 -0.098 0.000 0.993 588 N HN 0.434 nan 8.380 nan 0.000 0.426 589 R N 0.736 121.147 120.500 -0.147 0.000 2.075 589 R HA 0.045 4.377 4.340 -0.014 0.000 0.232 589 R C 2.166 178.381 176.300 -0.142 0.000 1.126 589 R CA 1.001 57.027 56.100 -0.123 0.000 0.963 589 R CB -0.282 29.961 30.300 -0.095 0.000 0.858 589 R HN 0.388 nan 8.270 nan 0.000 0.435 590 I N -1.634 118.835 120.570 -0.168 0.000 3.251 590 I HA 0.007 4.168 4.170 -0.014 0.000 0.277 590 I C 1.049 177.057 176.117 -0.182 0.000 1.268 590 I CA 0.800 62.010 61.300 -0.150 0.000 1.449 590 I CB -0.069 37.855 38.000 -0.125 0.000 1.083 590 I HN -0.115 nan 8.210 nan 0.000 0.464 591 K N 2.074 122.303 120.400 -0.285 0.000 2.217 591 K HA -0.110 4.202 4.320 -0.014 0.000 0.202 591 K C 1.951 178.450 176.600 -0.169 0.000 1.051 591 K CA 1.061 57.187 56.287 -0.267 0.000 0.952 591 K CB -0.135 32.123 32.500 -0.404 0.000 0.736 591 K HN 0.317 nan 8.250 nan 0.000 0.453 592 K N 1.705 122.012 120.400 -0.155 0.000 2.098 592 K HA -0.032 4.280 4.320 -0.014 0.000 0.203 592 K C 0.145 176.697 176.600 -0.080 0.000 1.051 592 K CA 1.092 57.313 56.287 -0.109 0.000 0.957 592 K CB 0.454 32.891 32.500 -0.105 0.000 0.738 592 K HN -0.017 nan 8.250 nan 0.000 0.447 593 E N 0.736 120.890 120.200 -0.078 0.000 2.795 593 E HA 0.173 4.515 4.350 -0.014 0.000 0.226 593 E C -2.363 174.206 176.600 -0.052 0.000 1.088 593 E CA -1.695 54.673 56.400 -0.053 0.000 0.812 593 E CB 1.674 31.348 29.700 -0.043 0.000 1.328 593 E HN 0.115 nan 8.360 nan 0.000 0.410 594 P HA -0.097 nan 4.420 nan 0.000 0.217 594 P C 0.400 177.689 177.300 -0.018 0.000 1.151 594 P CA 1.059 64.135 63.100 -0.041 0.000 0.828 594 P CB 0.243 31.922 31.700 -0.034 0.000 0.788 595 N N -0.860 117.837 118.700 -0.005 0.000 2.327 595 N HA 0.036 4.768 4.740 -0.014 0.000 0.231 595 N C 0.234 175.764 175.510 0.034 0.000 1.130 595 N CA -0.011 53.048 53.050 0.016 0.000 0.845 595 N CB -0.016 38.480 38.487 0.014 0.000 1.073 595 N HN -0.019 nan 8.380 nan 0.000 0.496 596 K N 1.176 121.592 120.400 0.026 0.000 2.206 596 K HA 0.174 4.486 4.320 -0.014 0.000 0.264 596 K C -1.015 175.627 176.600 0.070 0.000 0.967 596 K CA -0.662 55.655 56.287 0.050 0.000 0.844 596 K CB 0.733 33.241 32.500 0.014 0.000 1.099 596 K HN -0.027 nan 8.250 nan 0.000 0.441 597 F N 4.845 124.785 119.950 -0.017 0.000 2.484 597 F HA 0.197 4.716 4.527 -0.014 0.000 0.360 597 F C -0.338 175.451 175.800 -0.018 0.000 1.101 597 F CA 0.044 58.035 58.000 -0.015 0.000 1.251 597 F CB 0.623 39.616 39.000 -0.011 0.000 1.132 597 F HN 0.212 nan 8.300 nan 0.000 0.570 598 V N 3.909 123.234 119.914 -0.982 0.000 3.007 598 V HA 0.558 4.669 4.120 -0.014 0.000 0.311 598 V C -0.745 174.647 176.094 -1.170 0.000 1.120 598 V CA -1.256 60.598 62.300 -0.743 0.000 0.980 598 V CB 1.019 32.618 31.823 -0.375 0.000 1.033 598 V HN 0.608 nan 8.190 nan 0.000 0.429 599 V N 3.943 123.518 119.914 -0.565 0.000 2.529 599 V HA 0.223 4.335 4.120 -0.014 0.000 0.292 599 V C -1.856 174.079 176.094 -0.265 0.000 1.028 599 V CA -0.333 61.795 62.300 -0.287 0.000 1.074 599 V CB 0.679 32.465 31.823 -0.061 0.000 0.958 599 V HN 0.915 nan 8.190 nan 0.000 0.481 600 P HA 0.509 nan 4.420 nan 0.000 0.278 600 P C -0.756 176.467 177.300 -0.128 0.000 1.238 600 P CA -0.462 62.559 63.100 -0.132 0.000 0.794 600 P CB 0.714 32.382 31.700 -0.054 0.000 0.955 601 R N 0.404 120.836 120.500 -0.112 0.000 2.725 601 R HA 0.591 4.923 4.340 -0.014 0.000 0.277 601 R C -0.926 175.330 176.300 -0.074 0.000 0.987 601 R CA -0.641 55.392 56.100 -0.112 0.000 0.901 601 R CB 1.852 32.070 30.300 -0.137 0.000 1.207 601 R HN 0.284 nan 8.270 nan 0.000 0.463 602 T N 1.839 116.357 114.554 -0.060 0.000 2.772 602 T HA 0.252 4.594 4.350 -0.014 0.000 0.288 602 T C -0.677 173.931 174.700 -0.154 0.000 0.994 602 T CA -0.612 61.404 62.100 -0.141 0.000 0.951 602 T CB 1.246 69.922 68.868 -0.321 0.000 0.933 602 T HN 0.349 nan 8.240 nan 0.000 0.447 603 V N 5.176 125.011 119.914 -0.131 0.000 2.347 603 V HA 0.650 4.762 4.120 -0.014 0.000 0.280 603 V C -0.564 175.455 176.094 -0.125 0.000 1.021 603 V CA -0.795 61.436 62.300 -0.114 0.000 0.847 603 V CB 0.740 32.515 31.823 -0.079 0.000 0.990 603 V HN 0.897 nan 8.190 nan 0.000 0.444 604 M N 7.691 127.208 119.600 -0.138 0.000 2.101 604 M HA 0.575 5.047 4.480 -0.014 0.000 0.340 604 M C -0.852 175.348 176.300 -0.167 0.000 1.057 604 M CA -0.112 55.100 55.300 -0.147 0.000 0.984 604 M CB 1.571 34.087 32.600 -0.142 0.000 1.560 604 M HN 0.527 nan 8.290 nan 0.000 0.435 605 I N 2.378 122.834 120.570 -0.191 0.000 2.406 605 I HA 0.774 4.936 4.170 -0.014 0.000 0.290 605 I C 0.204 176.036 176.117 -0.476 0.000 0.999 605 I CA -0.577 60.591 61.300 -0.219 0.000 1.124 605 I CB 2.038 39.991 38.000 -0.079 0.000 1.289 605 I HN 0.774 nan 8.210 nan 0.000 0.441 606 G N 3.212 111.682 108.800 -0.550 0.000 2.696 606 G HA2 0.819 4.771 3.960 -0.014 0.000 0.295 606 G HA3 0.819 4.771 3.960 -0.014 0.000 0.295 606 G C -1.001 173.602 174.900 -0.495 0.000 1.398 606 G CA -0.679 43.933 45.100 -0.814 0.000 0.920 606 G HN 0.950 nan 8.290 nan 0.000 0.492 607 G N -0.374 108.289 108.800 -0.228 0.000 2.328 607 G HA2 0.459 4.411 3.960 -0.014 0.000 0.299 607 G HA3 0.459 4.411 3.960 -0.014 0.000 0.299 607 G C -1.607 173.436 174.900 0.239 0.000 1.435 607 G CA -1.008 44.137 45.100 0.076 0.000 0.865 607 G HN 0.600 nan 8.290 nan 0.000 0.601 608 K N -0.148 120.383 120.400 0.218 0.000 2.164 608 K HA 0.730 5.042 4.320 -0.014 0.000 0.258 608 K C 0.019 176.739 176.600 0.199 0.000 0.951 608 K CA -0.400 56.022 56.287 0.226 0.000 0.844 608 K CB 2.225 34.769 32.500 0.073 0.000 1.099 608 K HN 0.816 nan 8.250 nan 0.000 0.435 609 A N 1.779 124.740 122.820 0.235 0.000 2.301 609 A HA 0.619 4.931 4.320 -0.014 0.000 0.312 609 A C -0.221 177.510 177.584 0.245 0.000 1.182 609 A CA -0.648 51.465 52.037 0.126 0.000 0.826 609 A CB 0.825 19.831 19.000 0.009 0.000 1.134 609 A HN 0.804 nan 8.150 nan 0.000 0.501 610 A N 3.960 126.905 122.820 0.209 0.000 2.531 610 A HA 0.438 4.750 4.320 -0.014 0.000 0.236 610 A C -1.237 176.407 177.584 0.101 0.000 1.062 610 A CA -0.670 51.504 52.037 0.229 0.000 0.760 610 A CB -0.416 18.684 19.000 0.167 0.000 0.995 610 A HN 0.634 nan 8.150 nan 0.000 0.501 611 P HA -0.193 nan 4.420 nan 0.000 0.218 611 P C 1.350 178.620 177.300 -0.049 0.000 1.152 611 P CA 2.212 65.226 63.100 -0.142 0.000 0.857 611 P CB 0.177 31.745 31.700 -0.219 0.000 0.787 612 G N -3.537 105.261 108.800 -0.002 0.000 3.042 612 G HA2 -0.101 3.850 3.960 -0.014 0.000 0.212 612 G HA3 -0.101 3.850 3.960 -0.014 0.000 0.212 612 G C -0.171 174.765 174.900 0.060 0.000 1.166 612 G CA 0.001 45.108 45.100 0.011 0.000 0.767 612 G HN 0.179 nan 8.290 nan 0.000 0.546 613 Y N 2.204 122.440 120.300 -0.106 0.000 2.650 613 Y HA 0.229 4.771 4.550 -0.014 0.000 0.343 613 Y C 1.376 177.257 175.900 -0.032 0.000 1.078 613 Y CA -1.966 56.057 58.100 -0.129 0.000 1.356 613 Y CB -0.634 37.707 38.460 -0.197 0.000 1.204 613 Y HN 0.390 nan 8.280 nan 0.000 0.508 614 H N 3.840 122.991 119.070 0.135 0.000 2.352 614 H HA -0.207 4.341 4.556 -0.013 0.000 0.299 614 H C 1.537 176.872 175.328 0.012 0.000 1.097 614 H CA 2.191 58.271 56.048 0.053 0.000 1.311 614 H CB 0.419 30.215 29.762 0.055 0.000 1.377 614 H HN 0.615 nan 8.280 nan 0.000 0.504 615 M N 1.099 120.592 119.600 -0.178 0.000 2.086 615 M HA -0.068 4.404 4.480 -0.014 0.000 0.261 615 M C 2.657 178.687 176.300 -0.450 0.000 1.067 615 M CA 1.872 56.996 55.300 -0.294 0.000 1.116 615 M CB -0.786 31.783 32.600 -0.052 0.000 1.348 615 M HN 0.350 nan 8.290 nan 0.000 0.407 616 A N -0.202 122.093 122.820 -0.875 0.000 1.917 616 A HA -0.240 4.072 4.320 -0.014 0.000 0.219 616 A C 2.195 179.575 177.584 -0.339 0.000 1.182 616 A CA 2.101 53.702 52.037 -0.726 0.000 0.633 616 A CB -0.778 17.594 19.000 -1.046 0.000 0.819 616 A HN 0.593 nan 8.150 nan 0.000 0.448 617 K N -1.326 118.933 120.400 -0.236 0.000 2.147 617 K HA -0.085 4.226 4.320 -0.014 0.000 0.205 617 K C 1.894 178.499 176.600 0.009 0.000 1.049 617 K CA 1.305 57.559 56.287 -0.054 0.000 0.936 617 K CB -0.208 32.308 32.500 0.028 0.000 0.722 617 K HN 0.381 nan 8.250 nan 0.000 0.446 618 M N 0.289 119.841 119.600 -0.081 0.000 2.288 618 M HA -0.015 4.457 4.480 -0.014 0.000 0.266 618 M C 2.087 178.347 176.300 -0.066 0.000 1.072 618 M CA 1.194 56.485 55.300 -0.015 0.000 1.132 618 M CB -0.478 32.066 32.600 -0.093 0.000 1.386 618 M HN 0.103 nan 8.290 nan 0.000 0.432 619 I N 0.066 120.551 120.570 -0.141 0.000 2.226 619 I HA -0.315 3.847 4.170 -0.014 0.000 0.245 619 I C 2.264 178.264 176.117 -0.196 0.000 1.100 619 I CA 1.137 62.340 61.300 -0.162 0.000 1.374 619 I CB -0.352 37.547 38.000 -0.168 0.000 1.057 619 I HN 0.176 nan 8.210 nan 0.000 0.413 620 I N 0.656 121.090 120.570 -0.227 0.000 2.208 620 I HA -0.311 3.851 4.170 -0.014 0.000 0.245 620 I C 2.595 178.439 176.117 -0.455 0.000 1.097 620 I CA 1.289 62.347 61.300 -0.402 0.000 1.363 620 I CB -0.399 37.338 38.000 -0.438 0.000 1.051 620 I HN 0.186 nan 8.210 nan 0.000 0.413 621 K N 1.523 121.680 120.400 -0.405 0.000 2.057 621 K HA -0.113 4.199 4.320 -0.014 0.000 0.206 621 K C 2.037 178.485 176.600 -0.253 0.000 1.050 621 K CA 1.381 57.342 56.287 -0.544 0.000 0.935 621 K CB -0.523 31.425 32.500 -0.921 0.000 0.715 621 K HN 0.205 nan 8.250 nan 0.000 0.439 622 L N 0.409 121.517 121.223 -0.192 0.000 2.046 622 L HA -0.165 4.167 4.340 -0.014 0.000 0.208 622 L C 2.132 178.762 176.870 -0.399 0.000 1.077 622 L CA 1.613 56.172 54.840 -0.468 0.000 0.747 622 L CB -0.285 41.415 42.059 -0.598 0.000 0.896 622 L HN 0.248 nan 8.230 nan 0.000 0.432 623 I N -0.366 120.029 120.570 -0.291 0.000 2.226 623 I HA -0.312 3.850 4.170 -0.014 0.000 0.245 623 I C 2.591 178.594 176.117 -0.189 0.000 1.100 623 I CA 1.851 63.030 61.300 -0.202 0.000 1.374 623 I CB -0.640 37.327 38.000 -0.055 0.000 1.057 623 I HN 0.392 nan 8.210 nan 0.000 0.413 624 T N -0.802 113.612 114.554 -0.234 0.000 2.867 624 T HA -0.026 4.316 4.350 -0.014 0.000 0.268 624 T C 1.990 176.600 174.700 -0.150 0.000 1.057 624 T CA 0.885 62.873 62.100 -0.188 0.000 1.136 624 T CB -0.437 68.271 68.868 -0.267 0.000 0.874 624 T HN 0.339 nan 8.240 nan 0.000 0.466 625 A N 1.367 124.093 122.820 -0.156 0.000 1.930 625 A HA 0.178 4.490 4.320 -0.014 0.000 0.217 625 A C 2.327 179.866 177.584 -0.075 0.000 1.175 625 A CA 1.048 53.045 52.037 -0.065 0.000 0.627 625 A CB -0.781 18.255 19.000 0.061 0.000 0.815 625 A HN 0.566 nan 8.150 nan 0.000 0.443 626 I N -0.216 120.198 120.570 -0.259 0.000 2.179 626 I HA -0.200 3.962 4.170 -0.014 0.000 0.242 626 I C 2.729 178.760 176.117 -0.144 0.000 1.088 626 I CA 1.252 62.374 61.300 -0.297 0.000 1.357 626 I CB -0.615 37.120 38.000 -0.441 0.000 1.051 626 I HN 0.374 nan 8.210 nan 0.000 0.409 627 G N 0.306 109.022 108.800 -0.140 0.000 2.442 627 G HA2 -0.258 3.694 3.960 -0.014 0.000 0.219 627 G HA3 -0.258 3.694 3.960 -0.014 0.000 0.219 627 G C 1.269 176.101 174.900 -0.113 0.000 1.141 627 G CA 1.041 46.067 45.100 -0.123 0.000 0.763 627 G HN 0.292 nan 8.290 nan 0.000 0.554 628 D N 0.207 120.582 120.400 -0.043 0.000 2.084 628 D HA -0.094 4.538 4.640 -0.014 0.000 0.194 628 D C 2.798 179.145 176.300 0.078 0.000 0.990 628 D CA 0.911 54.951 54.000 0.066 0.000 0.826 628 D CB -0.570 40.262 40.800 0.054 0.000 0.971 628 D HN 0.203 nan 8.370 nan 0.000 0.453 629 V N 0.784 120.683 119.914 -0.025 0.000 2.223 629 V HA -0.207 3.905 4.120 -0.014 0.000 0.244 629 V C 2.713 178.706 176.094 -0.169 0.000 1.045 629 V CA 1.194 63.421 62.300 -0.121 0.000 1.000 629 V CB -0.567 31.110 31.823 -0.242 0.000 0.635 629 V HN 0.036 nan 8.190 nan 0.000 0.445 630 V N 0.825 120.580 119.914 -0.264 0.000 2.332 630 V HA -0.226 3.886 4.120 -0.014 0.000 0.248 630 V C 2.071 178.080 176.094 -0.142 0.000 1.055 630 V CA 2.103 64.257 62.300 -0.244 0.000 1.038 630 V CB -0.906 30.786 31.823 -0.219 0.000 0.651 630 V HN 0.589 nan 8.190 nan 0.000 0.450 631 N N -0.514 118.030 118.700 -0.259 0.000 2.515 631 N HA -0.064 4.667 4.740 -0.014 0.000 0.185 631 N C 1.153 176.341 175.510 -0.537 0.000 1.109 631 N CA 0.793 53.615 53.050 -0.381 0.000 0.903 631 N CB -0.243 37.953 38.487 -0.484 0.000 0.969 631 N HN 0.700 nan 8.380 nan 0.000 0.450 632 H N -1.381 117.686 119.070 -0.006 0.000 2.784 632 H HA 0.203 4.751 4.556 -0.013 0.000 0.273 632 H C -0.345 175.001 175.328 0.029 0.000 1.112 632 H CA -0.542 55.509 56.048 0.006 0.000 1.162 632 H CB 0.776 30.530 29.762 -0.013 0.000 1.586 632 H HN -0.003 nan 8.280 nan 0.000 0.548 633 D N 2.282 122.754 120.400 0.121 0.000 2.390 633 D HA -0.005 4.627 4.640 -0.014 0.000 0.249 633 D C -1.314 175.050 176.300 0.106 0.000 1.144 633 D CA -1.522 52.568 54.000 0.149 0.000 0.880 633 D CB 1.776 42.732 40.800 0.260 0.000 1.182 633 D HN 0.189 nan 8.370 nan 0.000 0.451 634 P HA -0.051 nan 4.420 nan 0.000 0.224 634 P C 1.556 178.886 177.300 0.050 0.000 1.157 634 P CA 0.161 63.298 63.100 0.061 0.000 0.799 634 P CB 0.579 32.309 31.700 0.051 0.000 0.809 635 V N 0.352 120.296 119.914 0.050 0.000 2.515 635 V HA -0.155 3.957 4.120 -0.014 0.000 0.250 635 V C 2.763 178.872 176.094 0.024 0.000 1.058 635 V CA 1.419 63.735 62.300 0.027 0.000 1.064 635 V CB -0.823 31.007 31.823 0.011 0.000 0.675 635 V HN -0.061 nan 8.190 nan 0.000 0.461 636 V N -0.271 119.674 119.914 0.052 0.000 2.358 636 V HA 0.080 4.192 4.120 -0.014 0.000 0.246 636 V C 1.819 177.931 176.094 0.031 0.000 1.047 636 V CA 1.534 63.863 62.300 0.048 0.000 1.035 636 V CB -1.239 30.650 31.823 0.111 0.000 0.658 636 V HN 0.725 nan 8.190 nan 0.000 0.452 637 G N 1.372 110.195 108.800 0.039 0.000 2.574 637 G HA2 -0.434 3.518 3.960 -0.014 0.000 0.286 637 G HA3 -0.434 3.518 3.960 -0.014 0.000 0.286 637 G C 0.361 175.279 174.900 0.031 0.000 1.212 637 G CA 0.726 45.848 45.100 0.036 0.000 0.979 637 G HN 0.704 nan 8.290 nan 0.000 0.557 638 D N -0.044 120.376 120.400 0.033 0.000 2.340 638 D HA 0.164 4.796 4.640 -0.014 0.000 0.220 638 D C 2.054 178.358 176.300 0.007 0.000 1.039 638 D CA 0.611 54.630 54.000 0.033 0.000 0.866 638 D CB 0.022 40.857 40.800 0.058 0.000 0.913 638 D HN 0.481 nan 8.370 nan 0.000 0.523 639 R N -0.422 120.070 120.500 -0.012 0.000 2.152 639 R HA 0.089 4.421 4.340 -0.014 0.000 0.232 639 R C -0.083 176.180 176.300 -0.062 0.000 1.117 639 R CA 0.500 56.567 56.100 -0.056 0.000 0.981 639 R CB -0.148 30.100 30.300 -0.087 0.000 0.870 639 R HN 0.270 nan 8.270 nan 0.000 0.451 640 L N 0.711 121.913 121.223 -0.035 0.000 2.562 640 L HA 0.339 4.671 4.340 -0.014 0.000 0.266 640 L C -1.462 175.382 176.870 -0.042 0.000 0.949 640 L CA -0.434 54.381 54.840 -0.042 0.000 0.879 640 L CB 1.732 43.777 42.059 -0.023 0.000 1.278 640 L HN -0.181 nan 8.230 nan 0.000 0.404 641 R N 3.859 124.319 120.500 -0.067 0.000 2.670 641 R HA 0.807 5.139 4.340 -0.014 0.000 0.289 641 R C -1.469 174.771 176.300 -0.101 0.000 0.965 641 R CA -0.867 55.182 56.100 -0.086 0.000 0.899 641 R CB 2.301 32.547 30.300 -0.089 0.000 1.173 641 R HN 0.383 nan 8.270 nan 0.000 0.456 642 V N 4.236 124.086 119.914 -0.107 0.000 2.407 642 V HA 0.503 4.615 4.120 -0.014 0.000 0.291 642 V C 0.092 176.133 176.094 -0.088 0.000 1.018 642 V CA -0.611 61.628 62.300 -0.101 0.000 0.842 642 V CB 1.880 33.639 31.823 -0.107 0.000 0.996 642 V HN 0.561 nan 8.190 nan 0.000 0.426 643 I N 4.793 125.314 120.570 -0.081 0.000 2.436 643 I HA 0.393 4.555 4.170 -0.014 0.000 0.289 643 I C -0.995 175.101 176.117 -0.035 0.000 1.010 643 I CA -0.506 60.758 61.300 -0.059 0.000 1.098 643 I CB 2.124 40.070 38.000 -0.091 0.000 1.266 643 I HN 0.555 nan 8.210 nan 0.000 0.434 644 F N 7.691 127.578 119.950 -0.105 0.000 2.421 644 F HA 0.302 4.821 4.527 -0.013 0.000 0.358 644 F C -0.300 175.444 175.800 -0.093 0.000 1.115 644 F CA -0.524 57.416 58.000 -0.100 0.000 1.160 644 F CB 0.666 39.603 39.000 -0.104 0.000 1.123 644 F HN 0.220 nan 8.300 nan 0.000 0.508 645 L N 6.354 127.190 121.223 -0.645 0.000 2.385 645 L HA 0.140 4.472 4.340 -0.014 0.000 0.285 645 L C 0.380 176.986 176.870 -0.441 0.000 1.125 645 L CA 0.112 54.708 54.840 -0.406 0.000 0.890 645 L CB -0.357 41.543 42.059 -0.264 0.000 1.251 645 L HN 0.600 nan 8.230 nan 0.000 0.445 646 E N 3.007 123.057 120.200 -0.250 0.000 2.452 646 E HA -0.117 4.225 4.350 -0.014 0.000 0.261 646 E C 0.571 177.197 176.600 0.044 0.000 0.987 646 E CA -0.055 56.313 56.400 -0.054 0.000 0.926 646 E CB 0.241 29.824 29.700 -0.195 0.000 0.934 646 E HN 0.528 nan 8.360 nan 0.000 0.452 647 N N 2.726 121.522 118.700 0.161 0.000 2.705 647 N HA -0.289 4.443 4.740 -0.014 0.000 0.255 647 N C -1.532 174.082 175.510 0.173 0.000 1.008 647 N CA 0.581 53.738 53.050 0.179 0.000 0.742 647 N CB -1.416 37.191 38.487 0.199 0.000 0.906 647 N HN 0.466 nan 8.380 nan 0.000 0.541 648 Y N 1.500 121.817 120.300 0.028 0.000 2.620 648 Y HA 0.198 4.739 4.550 -0.014 0.000 0.330 648 Y C 1.128 177.054 175.900 0.042 0.000 1.186 648 Y CA 0.566 58.673 58.100 0.011 0.000 1.467 648 Y CB 0.339 38.773 38.460 -0.044 0.000 1.262 648 Y HN 0.413 nan 8.280 nan 0.000 0.550 649 R N 2.438 122.601 120.500 -0.562 0.000 2.756 649 R HA 0.446 4.778 4.340 -0.014 0.000 0.273 649 R C -0.451 175.521 176.300 -0.547 0.000 1.030 649 R CA -0.628 55.223 56.100 -0.414 0.000 0.887 649 R CB 0.326 30.568 30.300 -0.096 0.000 1.274 649 R HN 0.366 nan 8.270 nan 0.000 0.461 650 V N 1.114 120.739 119.914 -0.482 0.000 2.252 650 V HA -0.307 3.805 4.120 -0.014 0.000 0.249 650 V C 2.517 178.493 176.094 -0.196 0.000 1.056 650 V CA 2.973 65.055 62.300 -0.365 0.000 1.022 650 V CB -0.775 30.804 31.823 -0.406 0.000 0.641 650 V HN 0.936 nan 8.190 nan 0.000 0.445 651 S N -0.269 115.340 115.700 -0.153 0.000 2.447 651 S HA -0.141 4.321 4.470 -0.014 0.000 0.233 651 S C 1.861 176.419 174.600 -0.070 0.000 1.006 651 S CA 1.520 59.657 58.200 -0.105 0.000 0.957 651 S CB -0.422 62.739 63.200 -0.066 0.000 0.773 651 S HN 0.402 nan 8.310 nan 0.000 0.507 652 L N 1.932 123.123 121.223 -0.054 0.000 2.131 652 L HA 0.366 4.698 4.340 -0.014 0.000 0.206 652 L C 2.613 179.493 176.870 0.016 0.000 1.087 652 L CA 1.440 56.289 54.840 0.015 0.000 0.767 652 L CB -1.286 40.847 42.059 0.122 0.000 0.917 652 L HN 0.316 nan 8.230 nan 0.000 0.441 653 A N -0.738 122.080 122.820 -0.004 0.000 1.972 653 A HA -0.215 4.097 4.320 -0.014 0.000 0.219 653 A C 2.118 179.745 177.584 0.072 0.000 1.169 653 A CA 1.691 53.786 52.037 0.098 0.000 0.635 653 A CB -0.604 18.441 19.000 0.074 0.000 0.810 653 A HN 0.599 nan 8.150 nan 0.000 0.446 654 E N -0.440 119.804 120.200 0.073 0.000 2.265 654 E HA -0.157 4.185 4.350 -0.014 0.000 0.196 654 E C 1.841 178.410 176.600 -0.051 0.000 0.996 654 E CA 1.140 57.555 56.400 0.026 0.000 0.832 654 E CB -0.022 29.614 29.700 -0.105 0.000 0.756 654 E HN 0.626 nan 8.360 nan 0.000 0.491 655 K N -0.150 120.192 120.400 -0.096 0.000 2.121 655 K HA -0.011 4.301 4.320 -0.014 0.000 0.203 655 K C 2.169 178.565 176.600 -0.341 0.000 1.041 655 K CA 0.841 57.047 56.287 -0.134 0.000 0.969 655 K CB 0.263 32.696 32.500 -0.113 0.000 0.799 655 K HN -0.030 nan 8.250 nan 0.000 0.456 656 V N 1.502 121.099 119.914 -0.528 0.000 2.358 656 V HA -0.202 3.910 4.120 -0.014 0.000 0.246 656 V C 2.206 178.031 176.094 -0.448 0.000 1.047 656 V CA 1.501 63.308 62.300 -0.821 0.000 1.035 656 V CB -0.682 30.812 31.823 -0.549 0.000 0.658 656 V HN 0.217 nan 8.190 nan 0.000 0.452 657 I N 0.461 120.801 120.570 -0.383 0.000 2.315 657 I HA -0.111 4.051 4.170 -0.014 0.000 0.248 657 I C -0.087 175.871 176.117 -0.265 0.000 1.117 657 I CA 1.407 62.388 61.300 -0.531 0.000 1.404 657 I CB -1.431 36.134 38.000 -0.725 0.000 1.071 657 I HN 0.346 nan 8.210 nan 0.000 0.419 658 P HA -0.159 nan 4.420 nan 0.000 0.218 658 P C 1.050 178.333 177.300 -0.028 0.000 1.148 658 P CA 1.451 64.512 63.100 -0.064 0.000 0.822 658 P CB 0.045 31.721 31.700 -0.041 0.000 0.784 659 A N -1.533 121.261 122.820 -0.042 0.000 2.275 659 A HA 0.485 4.797 4.320 -0.014 0.000 0.212 659 A C 1.096 178.765 177.584 0.142 0.000 1.201 659 A CA 0.068 52.134 52.037 0.048 0.000 0.843 659 A CB -0.689 18.381 19.000 0.117 0.000 0.873 659 A HN 0.192 nan 8.150 nan 0.000 0.492 660 A N -0.243 122.661 122.820 0.140 0.000 2.340 660 A HA 0.486 4.798 4.320 -0.014 0.000 0.268 660 A C 0.374 178.094 177.584 0.227 0.000 1.100 660 A CA -0.152 52.035 52.037 0.250 0.000 0.803 660 A CB 0.379 19.625 19.000 0.411 0.000 1.043 660 A HN 0.269 nan 8.150 nan 0.000 0.488 661 D N 0.089 120.628 120.400 0.232 0.000 2.431 661 D HA 0.144 4.776 4.640 -0.014 0.000 0.235 661 D C -0.026 176.512 176.300 0.398 0.000 0.980 661 D CA 0.658 54.862 54.000 0.340 0.000 0.912 661 D CB 0.336 41.207 40.800 0.118 0.000 1.056 661 D HN 0.336 nan 8.370 nan 0.000 0.494 662 L N 1.007 122.342 121.223 0.187 0.000 2.385 662 L HA 0.308 4.639 4.340 -0.014 0.000 0.273 662 L C -0.897 175.875 176.870 -0.164 0.000 0.990 662 L CA -0.280 54.593 54.840 0.054 0.000 0.821 662 L CB 2.234 44.303 42.059 0.017 0.000 1.279 662 L HN -0.204 nan 8.230 nan 0.000 0.412 663 S N 3.877 119.373 115.700 -0.340 0.000 2.410 663 S HA 0.282 4.744 4.470 -0.014 0.000 0.304 663 S C -0.304 174.015 174.600 -0.469 0.000 1.095 663 S CA -0.630 57.118 58.200 -0.753 0.000 1.089 663 S CB 0.378 63.073 63.200 -0.843 0.000 0.968 663 S HN 0.508 nan 8.310 nan 0.000 0.480 664 E N 3.881 123.840 120.200 -0.401 0.000 2.105 664 E HA 0.184 4.526 4.350 -0.014 0.000 0.285 664 E C -0.428 176.061 176.600 -0.184 0.000 1.055 664 E CA -0.240 56.037 56.400 -0.204 0.000 0.843 664 E CB 0.924 30.535 29.700 -0.149 0.000 1.067 664 E HN 0.585 nan 8.360 nan 0.000 0.398 665 Q N 3.100 122.846 119.800 -0.090 0.000 3.075 665 Q HA 0.269 4.601 4.340 -0.014 0.000 0.318 665 Q C 0.109 176.104 176.000 -0.008 0.000 0.907 665 Q CA -0.249 55.516 55.803 -0.064 0.000 0.882 665 Q CB 0.410 29.119 28.738 -0.047 0.000 1.386 665 Q HN 0.460 nan 8.270 nan 0.000 0.408 666 I N 1.033 121.586 120.570 -0.028 0.000 3.874 666 I HA -0.007 4.154 4.170 -0.014 0.000 0.331 666 I C 0.356 176.438 176.117 -0.059 0.000 1.489 666 I CA 0.214 61.512 61.300 -0.003 0.000 1.187 666 I CB 0.369 38.323 38.000 -0.077 0.000 1.150 666 I HN 0.100 nan 8.210 nan 0.000 0.412 667 S N -1.302 114.357 115.700 -0.068 0.000 2.601 667 S HA 0.325 4.787 4.470 -0.014 0.000 0.271 667 S C 0.452 175.043 174.600 -0.016 0.000 1.305 667 S CA -0.678 57.494 58.200 -0.046 0.000 1.022 667 S CB 0.598 63.803 63.200 0.009 0.000 0.940 667 S HN 0.222 nan 8.310 nan 0.000 0.525 668 T N 2.693 117.273 114.554 0.043 0.000 2.853 668 T HA 0.406 4.748 4.350 -0.014 0.000 0.298 668 T C 0.722 175.436 174.700 0.023 0.000 0.978 668 T CA 0.080 62.207 62.100 0.045 0.000 1.152 668 T CB 0.053 69.015 68.868 0.156 0.000 0.914 668 T HN 0.986 nan 8.240 nan 0.000 0.539 669 A N 2.858 125.656 122.820 -0.036 0.000 2.591 669 A HA 0.424 4.736 4.320 -0.014 0.000 0.244 669 A C 1.657 179.234 177.584 -0.013 0.000 1.031 669 A CA 0.409 52.420 52.037 -0.043 0.000 0.767 669 A CB -0.933 18.027 19.000 -0.067 0.000 0.942 669 A HN 1.656 nan 8.150 nan 0.000 0.514 670 G N 1.365 110.157 108.800 -0.013 0.000 2.213 670 G HA2 -0.252 3.700 3.960 -0.014 0.000 0.226 670 G HA3 -0.252 3.700 3.960 -0.014 0.000 0.226 670 G C 1.061 175.951 174.900 -0.016 0.000 0.992 670 G CA 1.025 46.118 45.100 -0.010 0.000 0.632 670 G HN 1.975 nan 8.290 nan 0.000 0.511 671 T N -1.726 112.824 114.554 -0.006 0.000 2.983 671 T HA 0.341 4.683 4.350 -0.014 0.000 0.250 671 T C 0.883 175.472 174.700 -0.184 0.000 1.037 671 T CA 1.282 63.322 62.100 -0.100 0.000 1.142 671 T CB 0.308 69.187 68.868 0.018 0.000 0.876 671 T HN 0.285 nan 8.240 nan 0.000 0.455 672 E N 1.424 121.630 120.200 0.010 0.000 2.129 672 E HA 0.606 4.948 4.350 -0.014 0.000 0.283 672 E C 1.063 177.616 176.600 -0.078 0.000 1.080 672 E CA 0.152 56.583 56.400 0.051 0.000 0.867 672 E CB 0.840 30.606 29.700 0.111 0.000 1.056 672 E HN 0.385 nan 8.360 nan 0.000 0.404 673 A N 3.365 126.064 122.820 -0.202 0.000 1.940 673 A HA -0.164 4.148 4.320 -0.014 0.000 0.219 673 A C 1.923 179.405 177.584 -0.170 0.000 1.176 673 A CA 2.050 53.856 52.037 -0.385 0.000 0.631 673 A CB -0.122 18.390 19.000 -0.812 0.000 0.814 673 A HN 0.598 nan 8.150 nan 0.000 0.446 674 S N -3.865 111.783 115.700 -0.086 0.000 4.471 674 S HA 0.451 4.913 4.470 -0.014 0.000 0.191 674 S C 0.658 175.243 174.600 -0.026 0.000 1.128 674 S CA 1.420 59.605 58.200 -0.026 0.000 1.153 674 S CB -0.145 63.061 63.200 0.010 0.000 1.583 674 S HN 2.220 nan 8.310 nan 0.000 0.590 675 G N 0.420 109.213 108.800 -0.013 0.000 2.722 675 G HA2 -0.047 3.904 3.960 -0.014 0.000 0.686 675 G HA3 -0.047 3.904 3.960 -0.014 0.000 0.686 675 G C 0.196 175.072 174.900 -0.041 0.000 1.282 675 G CA 0.454 45.543 45.100 -0.019 0.000 0.817 675 G HN 1.352 nan 8.290 nan 0.000 0.605 676 T N -1.508 113.014 114.554 -0.054 0.000 3.028 676 T HA 0.401 4.743 4.350 -0.014 0.000 0.262 676 T C 2.285 176.891 174.700 -0.156 0.000 0.916 676 T CA 1.173 63.214 62.100 -0.097 0.000 0.873 676 T CB 0.448 69.269 68.868 -0.078 0.000 1.232 676 T HN 1.840 nan 8.240 nan 0.000 0.529 677 G N 3.324 112.066 108.800 -0.097 0.000 2.418 677 G HA2 -0.271 3.681 3.960 -0.014 0.000 0.217 677 G HA3 -0.271 3.681 3.960 -0.014 0.000 0.217 677 G C 1.458 176.429 174.900 0.118 0.000 1.158 677 G CA 1.188 46.267 45.100 -0.035 0.000 0.771 677 G HN 0.807 nan 8.290 nan 0.000 0.545 678 N N 0.134 118.855 118.700 0.036 0.000 2.094 678 N HA -0.164 4.568 4.740 -0.014 0.000 0.191 678 N C 2.240 177.738 175.510 -0.020 0.000 1.023 678 N CA 1.472 54.529 53.050 0.011 0.000 0.857 678 N CB -0.366 38.084 38.487 -0.062 0.000 1.013 678 N HN 0.367 nan 8.380 nan 0.000 0.426 679 M N 0.733 120.259 119.600 -0.123 0.000 2.132 679 M HA -0.024 4.448 4.480 -0.014 0.000 0.263 679 M C 2.053 178.304 176.300 -0.080 0.000 1.065 679 M CA 1.440 56.651 55.300 -0.148 0.000 1.122 679 M CB -0.161 32.347 32.600 -0.153 0.000 1.365 679 M HN 0.080 nan 8.290 nan 0.000 0.411 680 K N 0.108 120.397 120.400 -0.185 0.000 2.103 680 K HA -0.137 4.175 4.320 -0.014 0.000 0.207 680 K C 1.643 178.146 176.600 -0.160 0.000 1.048 680 K CA 1.449 57.565 56.287 -0.286 0.000 0.930 680 K CB -0.244 31.854 32.500 -0.670 0.000 0.716 680 K HN 0.172 nan 8.250 nan 0.000 0.444 681 F N 0.503 120.369 119.950 -0.139 0.000 2.293 681 F HA -0.016 4.503 4.527 -0.014 0.000 0.297 681 F C 2.417 178.176 175.800 -0.068 0.000 1.089 681 F CA 0.883 58.826 58.000 -0.095 0.000 1.377 681 F CB -0.125 38.810 39.000 -0.107 0.000 1.051 681 F HN -0.021 nan 8.300 nan 0.000 0.511 682 M N 0.245 119.912 119.600 0.112 0.000 2.132 682 M HA -0.143 4.329 4.480 -0.014 0.000 0.263 682 M C 1.652 177.997 176.300 0.075 0.000 1.065 682 M CA 1.534 56.877 55.300 0.072 0.000 1.122 682 M CB -0.085 32.561 32.600 0.077 0.000 1.365 682 M HN 0.165 nan 8.290 nan 0.000 0.411 683 L N -1.890 119.379 121.223 0.077 0.000 2.599 683 L HA 0.124 4.456 4.340 -0.014 0.000 0.230 683 L C 0.903 177.806 176.870 0.055 0.000 1.141 683 L CA 0.966 55.852 54.840 0.077 0.000 0.877 683 L CB -1.672 40.448 42.059 0.101 0.000 1.009 683 L HN 0.229 nan 8.230 nan 0.000 0.447 684 N N 1.044 119.768 118.700 0.042 0.000 2.251 684 N HA 0.198 4.930 4.740 -0.014 0.000 0.217 684 N C 0.870 176.400 175.510 0.034 0.000 1.124 684 N CA 0.752 53.817 53.050 0.026 0.000 0.843 684 N CB 0.635 39.115 38.487 -0.012 0.000 1.024 684 N HN 0.538 nan 8.380 nan 0.000 0.501 685 G N 0.762 109.585 108.800 0.038 0.000 2.225 685 G HA2 -0.203 3.749 3.960 -0.014 0.000 0.264 685 G HA3 -0.203 3.749 3.960 -0.014 0.000 0.264 685 G C -0.068 174.881 174.900 0.080 0.000 1.060 685 G CA 0.295 45.418 45.100 0.037 0.000 0.833 685 G HN 0.516 nan 8.290 nan 0.000 0.498 686 A N -0.654 122.220 122.820 0.090 0.000 2.340 686 A HA 0.908 5.220 4.320 -0.014 0.000 0.331 686 A C -0.271 177.282 177.584 -0.052 0.000 1.140 686 A CA -0.725 51.382 52.037 0.118 0.000 0.801 686 A CB 1.521 20.678 19.000 0.261 0.000 1.234 686 A HN 0.777 nan 8.150 nan 0.000 0.469 687 L N 0.695 121.818 121.223 -0.165 0.000 2.360 687 L HA 0.575 4.907 4.340 -0.014 0.000 0.271 687 L C 0.510 177.213 176.870 -0.280 0.000 1.057 687 L CA 0.369 55.014 54.840 -0.324 0.000 0.803 687 L CB 1.733 43.480 42.059 -0.519 0.000 1.207 687 L HN 0.738 nan 8.230 nan 0.000 0.445 688 T N 3.671 117.951 114.554 -0.455 0.000 2.767 688 T HA 0.492 4.834 4.350 -0.014 0.000 0.284 688 T C -0.140 174.470 174.700 -0.150 0.000 0.973 688 T CA -0.175 61.686 62.100 -0.398 0.000 0.996 688 T CB 0.803 69.303 68.868 -0.613 0.000 0.927 688 T HN 0.433 nan 8.240 nan 0.000 0.456 689 I N 2.936 123.488 120.570 -0.031 0.000 2.331 689 I HA 0.688 4.850 4.170 -0.014 0.000 0.292 689 I C 0.216 176.489 176.117 0.260 0.000 0.998 689 I CA 0.223 61.611 61.300 0.146 0.000 1.267 689 I CB 0.253 38.258 38.000 0.008 0.000 1.386 689 I HN 0.773 nan 8.210 nan 0.000 0.476 690 G N 3.984 113.026 108.800 0.402 0.000 2.601 690 G HA2 0.427 4.379 3.960 -0.014 0.000 0.291 690 G HA3 0.427 4.379 3.960 -0.014 0.000 0.291 690 G C -0.927 173.956 174.900 -0.027 0.000 1.456 690 G CA -0.405 44.851 45.100 0.261 0.000 0.804 690 G HN 0.627 nan 8.290 nan 0.000 0.499 691 T N -1.817 112.555 114.554 -0.303 0.000 2.849 691 T HA 0.499 4.841 4.350 -0.014 0.000 0.284 691 T C 0.575 175.155 174.700 -0.200 0.000 1.004 691 T CA -0.485 61.343 62.100 -0.454 0.000 1.021 691 T CB 1.360 69.950 68.868 -0.463 0.000 1.013 691 T HN 0.318 nan 8.240 nan 0.000 0.527 692 M N 2.957 122.445 119.600 -0.186 0.000 3.237 692 M HA 0.364 4.836 4.480 -0.014 0.000 0.266 692 M C -0.723 175.518 176.300 -0.100 0.000 1.456 692 M CA -0.449 54.775 55.300 -0.126 0.000 1.593 692 M CB -1.767 30.765 32.600 -0.114 0.000 1.129 692 M HN 0.703 nan 8.290 nan 0.000 0.547 693 D N 0.557 120.905 120.400 -0.086 0.000 2.547 693 D HA 0.728 5.359 4.640 -0.014 0.000 0.231 693 D C 0.754 177.027 176.300 -0.045 0.000 1.099 693 D CA 0.705 54.670 54.000 -0.058 0.000 0.901 693 D CB 1.503 42.272 40.800 -0.051 0.000 1.478 693 D HN 0.510 nan 8.370 nan 0.000 0.471 694 G N 1.151 109.935 108.800 -0.028 0.000 2.660 694 G HA2 -0.284 3.668 3.960 -0.014 0.000 0.338 694 G HA3 -0.284 3.668 3.960 -0.014 0.000 0.338 694 G C 1.005 175.892 174.900 -0.022 0.000 1.336 694 G CA 1.477 46.565 45.100 -0.020 0.000 0.990 694 G HN 0.991 nan 8.290 nan 0.000 0.537 695 A N -0.373 122.427 122.820 -0.034 0.000 2.206 695 A HA 0.133 4.445 4.320 -0.014 0.000 0.211 695 A C 2.085 179.602 177.584 -0.111 0.000 1.158 695 A CA 1.671 53.681 52.037 -0.045 0.000 0.761 695 A CB -0.387 18.564 19.000 -0.081 0.000 0.801 695 A HN 0.584 nan 8.150 nan 0.000 0.473 696 N N 0.486 119.127 118.700 -0.099 0.000 2.205 696 N HA -0.144 4.588 4.740 -0.014 0.000 0.186 696 N C 1.574 176.951 175.510 -0.222 0.000 1.015 696 N CA 1.519 54.506 53.050 -0.105 0.000 0.862 696 N CB -0.550 37.918 38.487 -0.031 0.000 0.986 696 N HN 0.295 nan 8.380 nan 0.000 0.429 697 V N 1.388 121.213 119.914 -0.149 0.000 2.237 697 V HA -0.219 3.893 4.120 -0.014 0.000 0.245 697 V C 2.015 178.031 176.094 -0.129 0.000 1.046 697 V CA 1.717 63.928 62.300 -0.148 0.000 1.007 697 V CB -0.516 31.258 31.823 -0.082 0.000 0.638 697 V HN 0.339 nan 8.190 nan 0.000 0.445 698 E N -0.538 119.650 120.200 -0.019 0.000 2.150 698 E HA -0.196 4.146 4.350 -0.014 0.000 0.193 698 E C 2.218 178.943 176.600 0.209 0.000 0.985 698 E CA 1.276 57.741 56.400 0.107 0.000 0.814 698 E CB -0.219 29.634 29.700 0.256 0.000 0.752 698 E HN 0.539 nan 8.360 nan 0.000 0.466 699 M N 0.538 120.203 119.600 0.108 0.000 2.065 699 M HA -0.186 4.286 4.480 -0.014 0.000 0.259 699 M C 2.548 178.718 176.300 -0.218 0.000 1.069 699 M CA 1.686 57.026 55.300 0.065 0.000 1.110 699 M CB -0.299 32.222 32.600 -0.132 0.000 1.328 699 M HN 0.146 nan 8.290 nan 0.000 0.405 700 A N -0.315 122.050 122.820 -0.758 0.000 1.933 700 A HA -0.213 4.099 4.320 -0.014 0.000 0.218 700 A C 1.994 179.395 177.584 -0.304 0.000 1.175 700 A CA 1.925 53.451 52.037 -0.850 0.000 0.628 700 A CB -0.798 17.677 19.000 -0.875 0.000 0.814 700 A HN 0.599 nan 8.150 nan 0.000 0.444 701 E N -0.442 119.641 120.200 -0.195 0.000 2.072 701 E HA -0.200 4.142 4.350 -0.014 0.000 0.191 701 E C 1.772 178.344 176.600 -0.048 0.000 0.985 701 E CA 1.143 57.486 56.400 -0.096 0.000 0.801 701 E CB -0.055 29.604 29.700 -0.068 0.000 0.750 701 E HN 0.539 nan 8.360 nan 0.000 0.452 702 E N 0.230 120.428 120.200 -0.002 0.000 2.047 702 E HA -0.135 4.207 4.350 -0.014 0.000 0.191 702 E C 1.841 178.464 176.600 0.039 0.000 0.987 702 E CA 1.203 57.619 56.400 0.027 0.000 0.799 702 E CB -0.250 29.504 29.700 0.090 0.000 0.752 702 E HN 0.342 nan 8.360 nan 0.000 0.449 703 A N 0.351 123.211 122.820 0.068 0.000 2.169 703 A HA 0.334 4.646 4.320 -0.014 0.000 0.212 703 A C 1.024 178.632 177.584 0.041 0.000 1.153 703 A CA 1.025 53.113 52.037 0.086 0.000 0.756 703 A CB -0.125 18.992 19.000 0.195 0.000 0.813 703 A HN 0.252 nan 8.150 nan 0.000 0.471 704 G N -0.626 108.171 108.800 -0.006 0.000 3.019 704 G HA2 -0.127 3.825 3.960 -0.014 0.000 0.686 704 G HA3 -0.127 3.825 3.960 -0.014 0.000 0.686 704 G C 0.003 174.888 174.900 -0.025 0.000 1.056 704 G CA 0.054 45.139 45.100 -0.026 0.000 0.774 704 G HN 0.268 nan 8.290 nan 0.000 0.583 705 E N 0.727 120.893 120.200 -0.057 0.000 2.273 705 E HA -0.162 4.180 4.350 -0.014 0.000 0.198 705 E C 2.141 178.725 176.600 -0.026 0.000 1.002 705 E CA 1.983 58.354 56.400 -0.048 0.000 0.828 705 E CB 0.061 29.729 29.700 -0.055 0.000 0.747 705 E HN 0.778 nan 8.360 nan 0.000 0.491 706 E N 0.136 120.310 120.200 -0.044 0.000 2.274 706 E HA -0.067 4.275 4.350 -0.014 0.000 0.194 706 E C 0.919 177.434 176.600 -0.143 0.000 0.996 706 E CA 0.587 56.939 56.400 -0.080 0.000 0.840 706 E CB 0.050 29.715 29.700 -0.058 0.000 0.772 706 E HN 0.144 nan 8.360 nan 0.000 0.491 707 N N -0.302 118.348 118.700 -0.084 0.000 2.313 707 N HA 0.135 4.867 4.740 -0.014 0.000 0.207 707 N C -0.938 174.469 175.510 -0.173 0.000 1.141 707 N CA 0.175 53.148 53.050 -0.128 0.000 0.830 707 N CB 0.306 38.778 38.487 -0.026 0.000 1.008 707 N HN 0.063 nan 8.380 nan 0.000 0.481 708 F N -0.562 119.146 119.950 -0.405 0.000 2.599 708 F HA 0.403 4.921 4.527 -0.014 0.000 0.311 708 F C -0.962 174.560 175.800 -0.464 0.000 1.076 708 F CA -1.054 56.748 58.000 -0.331 0.000 0.937 708 F CB 1.445 40.356 39.000 -0.148 0.000 1.282 708 F HN -0.234 nan 8.300 nan 0.000 0.460 709 F N 4.829 124.814 119.950 0.058 0.000 2.319 709 F HA 0.454 4.973 4.527 -0.013 0.000 0.356 709 F C -0.474 175.470 175.800 0.239 0.000 1.100 709 F CA -0.530 57.536 58.000 0.109 0.000 1.220 709 F CB 0.209 39.220 39.000 0.019 0.000 1.506 709 F HN 0.031 nan 8.300 nan 0.000 0.512 710 I N 3.658 124.438 120.570 0.349 0.000 2.472 710 I HA 0.352 4.514 4.170 -0.014 0.000 0.290 710 I C -0.119 176.174 176.117 0.294 0.000 1.016 710 I CA -0.415 61.046 61.300 0.267 0.000 1.348 710 I CB 0.542 38.605 38.000 0.106 0.000 1.417 710 I HN 0.350 nan 8.210 nan 0.000 0.521 711 F N 3.161 123.177 119.950 0.110 0.000 2.664 711 F HA 0.974 5.492 4.527 -0.014 0.000 0.317 711 F C 0.126 175.965 175.800 0.064 0.000 1.108 711 F CA -0.775 57.279 58.000 0.090 0.000 0.957 711 F CB 0.971 40.038 39.000 0.112 0.000 1.365 711 F HN 0.835 nan 8.300 nan 0.000 0.475 712 G N 0.739 109.547 108.800 0.014 0.000 2.685 712 G HA2 -0.070 3.882 3.960 -0.014 0.000 0.387 712 G HA3 -0.070 3.882 3.960 -0.014 0.000 0.387 712 G C -1.039 173.822 174.900 -0.065 0.000 1.324 712 G CA -0.591 44.470 45.100 -0.065 0.000 0.878 712 G HN 1.116 nan 8.290 nan 0.000 0.527 713 M N 0.711 120.283 119.600 -0.045 0.000 2.248 713 M HA 0.359 4.830 4.480 -0.014 0.000 0.345 713 M C 1.148 177.409 176.300 -0.066 0.000 1.243 713 M CA -0.084 55.203 55.300 -0.023 0.000 1.090 713 M CB 0.315 32.911 32.600 -0.005 0.000 1.683 713 M HN 0.639 nan 8.290 nan 0.000 0.450 714 R N 2.740 123.215 120.500 -0.042 0.000 2.527 714 R HA 0.321 4.653 4.340 -0.014 0.000 0.243 714 R C 1.068 177.344 176.300 -0.039 0.000 1.206 714 R CA -0.556 55.513 56.100 -0.052 0.000 1.134 714 R CB -0.256 30.020 30.300 -0.039 0.000 1.347 714 R HN 0.666 nan 8.270 nan 0.000 0.580 715 V N 1.345 121.236 119.914 -0.037 0.000 2.295 715 V HA -0.229 3.883 4.120 -0.014 0.000 0.246 715 V C 2.501 178.583 176.094 -0.020 0.000 1.049 715 V CA 2.048 64.331 62.300 -0.029 0.000 1.024 715 V CB -0.579 31.225 31.823 -0.031 0.000 0.648 715 V HN 0.741 nan 8.190 nan 0.000 0.447 716 E N 0.531 120.721 120.200 -0.016 0.000 2.086 716 E HA -0.342 3.999 4.350 -0.014 0.000 0.205 716 E C 1.867 178.469 176.600 0.005 0.000 1.027 716 E CA 2.283 58.679 56.400 -0.007 0.000 0.830 716 E CB -0.283 29.414 29.700 -0.005 0.000 0.751 716 E HN 0.679 nan 8.360 nan 0.000 0.456 717 D N -0.103 120.302 120.400 0.008 0.000 2.178 717 D HA -0.115 4.517 4.640 -0.014 0.000 0.202 717 D C 2.150 178.466 176.300 0.027 0.000 0.974 717 D CA 1.034 55.050 54.000 0.026 0.000 0.841 717 D CB 0.098 40.916 40.800 0.031 0.000 0.953 717 D HN 0.164 nan 8.370 nan 0.000 0.478 718 V N 1.914 121.831 119.914 0.004 0.000 2.270 718 V HA -0.188 3.924 4.120 -0.014 0.000 0.245 718 V C 2.034 178.128 176.094 0.001 0.000 1.043 718 V CA 1.614 63.910 62.300 -0.008 0.000 1.014 718 V CB -0.347 31.461 31.823 -0.026 0.000 0.645 718 V HN 0.047 nan 8.190 nan 0.000 0.447 719 D N -0.345 120.054 120.400 -0.001 0.000 2.178 719 D HA -0.141 4.491 4.640 -0.014 0.000 0.201 719 D C 2.373 178.685 176.300 0.019 0.000 0.980 719 D CA 1.034 55.035 54.000 0.003 0.000 0.842 719 D CB -0.152 40.645 40.800 -0.005 0.000 0.948 719 D HN 0.338 nan 8.370 nan 0.000 0.472 720 R N 0.029 120.545 120.500 0.027 0.000 2.070 720 R HA -0.126 4.206 4.340 -0.014 0.000 0.233 720 R C 2.272 178.607 176.300 0.058 0.000 1.137 720 R CA 0.666 56.789 56.100 0.038 0.000 0.945 720 R CB -0.420 29.906 30.300 0.043 0.000 0.845 720 R HN 0.085 nan 8.270 nan 0.000 0.430 721 L N 1.196 122.465 121.223 0.077 0.000 2.079 721 L HA -0.189 4.143 4.340 -0.014 0.000 0.210 721 L C 1.274 178.210 176.870 0.111 0.000 1.081 721 L CA 1.898 56.811 54.840 0.123 0.000 0.752 721 L CB -0.370 41.784 42.059 0.157 0.000 0.896 721 L HN 0.140 nan 8.230 nan 0.000 0.433 722 D N -1.436 119.004 120.400 0.067 0.000 2.234 722 D HA -0.106 4.526 4.640 -0.014 0.000 0.205 722 D C 2.086 178.414 176.300 0.047 0.000 0.962 722 D CA 0.477 54.509 54.000 0.053 0.000 0.855 722 D CB 0.200 41.009 40.800 0.016 0.000 0.951 722 D HN 0.422 nan 8.370 nan 0.000 0.500 723 Q N 0.506 120.331 119.800 0.041 0.000 2.046 723 Q HA -0.051 4.281 4.340 -0.014 0.000 0.200 723 Q C 2.235 178.259 176.000 0.041 0.000 0.975 723 Q CA 0.778 56.601 55.803 0.033 0.000 0.836 723 Q CB -0.322 28.433 28.738 0.028 0.000 0.896 723 Q HN 0.310 nan 8.270 nan 0.000 0.428 724 R N -0.141 120.391 120.500 0.053 0.000 2.070 724 R HA -0.019 4.313 4.340 -0.014 0.000 0.233 724 R C 0.265 176.602 176.300 0.061 0.000 1.137 724 R CA 1.186 57.320 56.100 0.056 0.000 0.945 724 R CB -0.096 30.247 30.300 0.071 0.000 0.845 724 R HN 0.385 nan 8.270 nan 0.000 0.430 725 G N -0.427 108.425 108.800 0.086 0.000 3.393 725 G HA2 -0.205 3.747 3.960 -0.014 0.000 0.676 725 G HA3 -0.205 3.747 3.960 -0.014 0.000 0.676 725 G C -1.341 173.644 174.900 0.142 0.000 1.224 725 G CA -0.675 44.483 45.100 0.096 0.000 1.109 725 G HN 0.278 nan 8.290 nan 0.000 0.519 726 Y N 3.683 124.016 120.300 0.055 0.000 2.402 726 Y HA 0.574 5.116 4.550 -0.013 0.000 0.333 726 Y C 0.268 176.224 175.900 0.094 0.000 1.076 726 Y CA -0.642 57.510 58.100 0.087 0.000 1.299 726 Y CB 0.995 39.484 38.460 0.049 0.000 1.197 726 Y HN 0.583 nan 8.280 nan 0.000 0.517 727 N N 4.928 123.349 118.700 -0.465 0.000 2.540 727 N HA 0.285 5.017 4.740 -0.014 0.000 0.275 727 N C -0.175 175.064 175.510 -0.451 0.000 1.053 727 N CA 0.251 53.083 53.050 -0.365 0.000 0.876 727 N CB 1.738 40.140 38.487 -0.143 0.000 1.284 727 N HN 0.858 nan 8.380 nan 0.000 0.518 728 A N 2.889 125.424 122.820 -0.476 0.000 2.067 728 A HA -0.160 4.151 4.320 -0.014 0.000 0.219 728 A C 1.861 179.601 177.584 0.260 0.000 1.158 728 A CA 1.197 53.225 52.037 -0.016 0.000 0.661 728 A CB -0.155 18.789 19.000 -0.094 0.000 0.801 728 A HN 0.727 nan 8.150 nan 0.000 0.452 729 Q N 0.369 120.199 119.800 0.050 0.000 2.079 729 Q HA -0.169 4.162 4.340 -0.014 0.000 0.200 729 Q C 1.834 177.904 176.000 0.117 0.000 0.974 729 Q CA 2.093 57.943 55.803 0.078 0.000 0.840 729 Q CB -0.388 28.346 28.738 -0.007 0.000 0.898 729 Q HN 0.716 nan 8.270 nan 0.000 0.430 730 E N -1.141 119.053 120.200 -0.010 0.000 2.136 730 E HA -0.257 4.085 4.350 -0.014 0.000 0.202 730 E C 1.677 178.170 176.600 -0.178 0.000 1.019 730 E CA 1.638 57.954 56.400 -0.141 0.000 0.819 730 E CB -0.200 29.306 29.700 -0.323 0.000 0.739 730 E HN 0.509 nan 8.360 nan 0.000 0.458 731 Y N -1.369 118.981 120.300 0.082 0.000 2.242 731 Y HA -0.212 4.330 4.550 -0.014 0.000 0.291 731 Y C 2.078 177.944 175.900 -0.057 0.000 1.137 731 Y CA 1.439 59.575 58.100 0.061 0.000 1.181 731 Y CB -0.492 38.083 38.460 0.192 0.000 0.989 731 Y HN 0.232 nan 8.280 nan 0.000 0.527 732 Y N 0.871 121.174 120.300 0.005 0.000 2.263 732 Y HA -0.186 4.355 4.550 -0.013 0.000 0.292 732 Y C 1.815 177.666 175.900 -0.082 0.000 1.130 732 Y CA 1.582 59.613 58.100 -0.115 0.000 1.179 732 Y CB -0.246 38.192 38.460 -0.038 0.000 0.998 732 Y HN 0.033 nan 8.280 nan 0.000 0.532 733 D N -0.122 120.297 120.400 0.031 0.000 2.123 733 D HA -0.107 4.524 4.640 -0.014 0.000 0.200 733 D C 2.001 178.242 176.300 -0.099 0.000 0.976 733 D CA 1.106 55.087 54.000 -0.032 0.000 0.831 733 D CB -0.068 40.751 40.800 0.031 0.000 0.974 733 D HN 0.375 nan 8.370 nan 0.000 0.469 734 R N 0.220 120.669 120.500 -0.084 0.000 2.240 734 R HA 0.155 4.487 4.340 -0.014 0.000 0.203 734 R C 0.631 176.890 176.300 -0.069 0.000 1.011 734 R CA 0.158 56.215 56.100 -0.071 0.000 1.007 734 R CB 0.190 30.456 30.300 -0.058 0.000 0.911 734 R HN 0.233 nan 8.270 nan 0.000 0.468 735 I N 2.336 122.843 120.570 -0.105 0.000 2.428 735 I HA 0.205 4.367 4.170 -0.014 0.000 0.279 735 I C -1.791 174.217 176.117 -0.182 0.000 1.040 735 I CA -2.274 58.972 61.300 -0.090 0.000 1.171 735 I CB 2.071 40.052 38.000 -0.032 0.000 1.312 735 I HN -0.266 nan 8.210 nan 0.000 0.470 736 P HA -0.218 nan 4.420 nan 0.000 0.216 736 P C 1.269 178.473 177.300 -0.159 0.000 1.157 736 P CA 1.489 64.490 63.100 -0.164 0.000 0.880 736 P CB 0.257 31.895 31.700 -0.105 0.000 0.791 737 E N -0.839 119.304 120.200 -0.095 0.000 2.077 737 E HA -0.176 4.166 4.350 -0.014 0.000 0.193 737 E C 2.020 178.535 176.600 -0.142 0.000 0.989 737 E CA 0.896 57.261 56.400 -0.058 0.000 0.800 737 E CB -0.644 29.095 29.700 0.066 0.000 0.746 737 E HN 0.261 nan 8.360 nan 0.000 0.452 738 L N 0.799 121.839 121.223 -0.305 0.000 2.072 738 L HA -0.122 4.210 4.340 -0.014 0.000 0.205 738 L C 2.748 179.371 176.870 -0.412 0.000 1.079 738 L CA 0.885 55.383 54.840 -0.571 0.000 0.752 738 L CB -0.099 41.408 42.059 -0.919 0.000 0.906 738 L HN 0.006 nan 8.230 nan 0.000 0.436 739 R N -0.319 119.915 120.500 -0.443 0.000 2.096 739 R HA -0.284 4.048 4.340 -0.014 0.000 0.240 739 R C 2.361 178.531 176.300 -0.216 0.000 1.139 739 R CA 2.328 58.113 56.100 -0.525 0.000 0.952 739 R CB -0.394 29.514 30.300 -0.654 0.000 0.854 739 R HN 0.522 nan 8.270 nan 0.000 0.436 740 Q N 0.476 120.171 119.800 -0.176 0.000 2.061 740 Q HA -0.200 4.132 4.340 -0.014 0.000 0.204 740 Q C 2.153 178.121 176.000 -0.053 0.000 0.984 740 Q CA 2.090 57.830 55.803 -0.106 0.000 0.846 740 Q CB -0.164 28.507 28.738 -0.112 0.000 0.902 740 Q HN 0.484 nan 8.270 nan 0.000 0.421 741 I N 0.457 121.002 120.570 -0.042 0.000 2.151 741 I HA -0.331 3.831 4.170 -0.014 0.000 0.243 741 I C 2.333 178.506 176.117 0.093 0.000 1.080 741 I CA 1.185 62.510 61.300 0.042 0.000 1.339 741 I CB -0.293 37.712 38.000 0.008 0.000 1.039 741 I HN 0.291 nan 8.210 nan 0.000 0.409 742 I N 0.276 120.891 120.570 0.075 0.000 2.202 742 I HA -0.243 3.918 4.170 -0.014 0.000 0.242 742 I C 2.434 178.651 176.117 0.167 0.000 1.091 742 I CA 1.244 62.636 61.300 0.153 0.000 1.368 742 I CB -0.204 37.939 38.000 0.239 0.000 1.058 742 I HN 0.120 nan 8.210 nan 0.000 0.410 743 E N 0.426 120.715 120.200 0.149 0.000 2.268 743 E HA -0.202 4.140 4.350 -0.014 0.000 0.195 743 E C 2.074 178.743 176.600 0.115 0.000 0.995 743 E CA 0.887 57.365 56.400 0.129 0.000 0.836 743 E CB -0.055 29.710 29.700 0.108 0.000 0.763 743 E HN 0.418 nan 8.360 nan 0.000 0.491 744 Q N -0.523 119.340 119.800 0.105 0.000 2.079 744 Q HA -0.077 4.255 4.340 -0.014 0.000 0.200 744 Q C 2.032 178.222 176.000 0.316 0.000 0.974 744 Q CA 0.992 56.877 55.803 0.138 0.000 0.840 744 Q CB 0.008 28.799 28.738 0.089 0.000 0.898 744 Q HN 0.302 nan 8.270 nan 0.000 0.430 745 L N -0.374 121.041 121.223 0.320 0.000 1.988 745 L HA -0.169 4.163 4.340 -0.014 0.000 0.207 745 L C 2.248 179.299 176.870 0.301 0.000 1.071 745 L CA 1.068 56.111 54.840 0.338 0.000 0.744 745 L CB -0.504 41.681 42.059 0.211 0.000 0.893 745 L HN 0.103 nan 8.230 nan 0.000 0.433 746 S N -0.298 115.534 115.700 0.220 0.000 2.528 746 S HA -0.121 4.341 4.470 -0.014 0.000 0.244 746 S C 1.719 176.413 174.600 0.156 0.000 0.982 746 S CA 1.327 59.633 58.200 0.176 0.000 0.953 746 S CB -0.246 63.037 63.200 0.138 0.000 0.754 746 S HN 0.618 nan 8.310 nan 0.000 0.529 747 S N -0.881 114.920 115.700 0.170 0.000 2.603 747 S HA 0.494 4.956 4.470 -0.014 0.000 0.232 747 S C 1.173 175.863 174.600 0.149 0.000 1.016 747 S CA 0.303 58.585 58.200 0.137 0.000 0.976 747 S CB 0.604 63.873 63.200 0.115 0.000 0.921 747 S HN 0.655 nan 8.310 nan 0.000 0.516 748 G N 1.470 110.391 108.800 0.202 0.000 2.132 748 G HA2 -0.313 3.639 3.960 -0.014 0.000 0.228 748 G HA3 -0.313 3.639 3.960 -0.014 0.000 0.228 748 G C 0.205 175.198 174.900 0.154 0.000 1.000 748 G CA 0.160 45.369 45.100 0.182 0.000 0.693 748 G HN 0.546 nan 8.290 nan 0.000 0.515 749 F N 0.506 120.471 119.950 0.025 0.000 2.126 749 F HA 0.167 4.686 4.527 -0.014 0.000 0.299 749 F C 1.952 177.629 175.800 -0.205 0.000 1.096 749 F CA 1.971 59.884 58.000 -0.144 0.000 1.255 749 F CB -0.176 38.654 39.000 -0.284 0.000 0.997 749 F HN 0.132 nan 8.300 nan 0.000 0.479 750 F N 0.284 120.248 119.950 0.023 0.000 2.797 750 F HA 0.161 4.680 4.527 -0.014 0.000 0.302 750 F C 0.857 176.710 175.800 0.088 0.000 1.130 750 F CA 0.479 58.457 58.000 -0.037 0.000 1.387 750 F CB -0.451 38.585 39.000 0.060 0.000 1.107 750 F HN 0.040 nan 8.300 nan 0.000 0.577 751 S N -1.902 113.939 115.700 0.235 0.000 2.440 751 S HA 0.346 4.807 4.470 -0.014 0.000 0.142 751 S C -2.470 172.156 174.600 0.044 0.000 1.578 751 S CA -1.071 57.207 58.200 0.130 0.000 1.260 751 S CB 1.188 64.431 63.200 0.072 0.000 1.407 751 S HN -0.176 nan 8.310 nan 0.000 0.392 752 P HA -0.060 nan 4.420 nan 0.000 0.213 752 P C 1.231 178.531 177.300 0.001 0.000 1.170 752 P CA 1.279 64.374 63.100 -0.009 0.000 0.893 752 P CB 0.102 31.778 31.700 -0.041 0.000 0.784 753 K N -0.741 119.656 120.400 -0.005 0.000 2.097 753 K HA -0.102 4.210 4.320 -0.014 0.000 0.206 753 K C 0.832 177.432 176.600 -0.000 0.000 1.049 753 K CA 1.104 57.390 56.287 -0.002 0.000 0.933 753 K CB -0.263 32.235 32.500 -0.003 0.000 0.717 753 K HN 0.293 nan 8.250 nan 0.000 0.442 754 Q N -0.133 119.664 119.800 -0.006 0.000 2.788 754 Q HA 0.143 4.475 4.340 -0.014 0.000 0.261 754 Q C -2.285 173.703 176.000 -0.019 0.000 1.029 754 Q CA -1.544 54.249 55.803 -0.016 0.000 0.848 754 Q CB 1.516 30.234 28.738 -0.033 0.000 1.185 754 Q HN -0.006 nan 8.270 nan 0.000 0.482 755 P HA -0.170 nan 4.420 nan 0.000 0.221 755 P C 0.740 178.069 177.300 0.049 0.000 1.150 755 P CA 1.058 64.184 63.100 0.045 0.000 0.800 755 P CB 0.267 31.998 31.700 0.052 0.000 0.787 756 D N -0.364 120.049 120.400 0.021 0.000 2.340 756 D HA -0.061 4.571 4.640 -0.014 0.000 0.220 756 D C 1.757 178.048 176.300 -0.014 0.000 1.039 756 D CA 0.062 54.080 54.000 0.030 0.000 0.866 756 D CB -0.563 40.254 40.800 0.029 0.000 0.913 756 D HN 0.018 nan 8.370 nan 0.000 0.523 757 L N 0.273 121.424 121.223 -0.120 0.000 2.064 757 L HA -0.182 4.150 4.340 -0.014 0.000 0.216 757 L C 1.065 177.722 176.870 -0.356 0.000 1.077 757 L CA 1.624 56.291 54.840 -0.289 0.000 0.766 757 L CB -0.733 41.006 42.059 -0.534 0.000 0.890 757 L HN -0.080 nan 8.230 nan 0.000 0.435 758 F N -0.071 119.931 119.950 0.086 0.000 2.713 758 F HA 0.178 4.697 4.527 -0.013 0.000 0.294 758 F C 1.796 177.645 175.800 0.082 0.000 1.152 758 F CA -0.055 57.988 58.000 0.071 0.000 1.385 758 F CB -0.816 38.217 39.000 0.056 0.000 0.981 758 F HN 0.200 nan 8.300 nan 0.000 0.514 759 K N -0.948 119.562 120.400 0.184 0.000 2.211 759 K HA -0.120 4.192 4.320 -0.014 0.000 0.203 759 K C 0.766 177.463 176.600 0.162 0.000 1.050 759 K CA 1.630 58.011 56.287 0.157 0.000 0.945 759 K CB -0.124 32.444 32.500 0.113 0.000 0.732 759 K HN 0.051 nan 8.250 nan 0.000 0.451 760 D N 1.236 121.743 120.400 0.179 0.000 2.149 760 D HA -0.046 4.586 4.640 -0.014 0.000 0.201 760 D C 1.887 178.287 176.300 0.167 0.000 0.972 760 D CA 0.849 54.962 54.000 0.188 0.000 0.835 760 D CB -0.103 40.831 40.800 0.224 0.000 0.966 760 D HN 0.200 nan 8.370 nan 0.000 0.476 761 I N 0.376 121.043 120.570 0.162 0.000 2.252 761 I HA -0.193 3.969 4.170 -0.014 0.000 0.245 761 I C 2.441 178.620 176.117 0.102 0.000 1.102 761 I CA 0.639 62.008 61.300 0.115 0.000 1.385 761 I CB -0.390 37.666 38.000 0.093 0.000 1.064 761 I HN -0.131 nan 8.210 nan 0.000 0.414 762 V N 0.543 120.535 119.914 0.130 0.000 2.358 762 V HA -0.303 3.809 4.120 -0.014 0.000 0.246 762 V C 2.204 178.340 176.094 0.070 0.000 1.047 762 V CA 2.362 64.730 62.300 0.112 0.000 1.035 762 V CB -1.091 30.812 31.823 0.134 0.000 0.658 762 V HN 0.514 nan 8.190 nan 0.000 0.452 763 N N -0.381 118.377 118.700 0.095 0.000 2.069 763 N HA -0.236 4.496 4.740 -0.014 0.000 0.191 763 N C 2.003 177.488 175.510 -0.042 0.000 1.031 763 N CA 1.737 54.846 53.050 0.099 0.000 0.852 763 N CB -0.161 38.411 38.487 0.143 0.000 1.018 763 N HN 0.379 nan 8.380 nan 0.000 0.423 764 M N 0.314 119.923 119.600 0.014 0.000 2.059 764 M HA -0.155 4.317 4.480 -0.014 0.000 0.259 764 M C 1.757 177.993 176.300 -0.107 0.000 1.072 764 M CA 1.480 56.788 55.300 0.014 0.000 1.117 764 M CB -0.594 32.105 32.600 0.166 0.000 1.320 764 M HN 0.248 nan 8.290 nan 0.000 0.408 765 L N 0.888 122.049 121.223 -0.104 0.000 2.079 765 L HA -0.229 4.103 4.340 -0.014 0.000 0.210 765 L C 2.494 179.123 176.870 -0.402 0.000 1.081 765 L CA 1.712 56.397 54.840 -0.258 0.000 0.752 765 L CB -0.881 41.082 42.059 -0.160 0.000 0.896 765 L HN 0.383 nan 8.230 nan 0.000 0.433 766 M N -2.095 117.326 119.600 -0.297 0.000 2.288 766 M HA -0.069 4.402 4.480 -0.014 0.000 0.266 766 M C 1.641 177.468 176.300 -0.789 0.000 1.072 766 M CA 1.454 56.479 55.300 -0.458 0.000 1.132 766 M CB -0.713 31.605 32.600 -0.471 0.000 1.386 766 M HN 0.336 nan 8.290 nan 0.000 0.432 767 H N -2.355 116.549 119.070 -0.277 0.000 3.440 767 H HA 0.236 4.784 4.556 -0.013 0.000 0.259 767 H C 0.081 175.248 175.328 -0.269 0.000 1.120 767 H CA 0.434 56.289 56.048 -0.322 0.000 1.191 767 H CB 0.444 29.940 29.762 -0.443 0.000 1.537 767 H HN 0.544 nan 8.280 nan 0.000 0.547 768 H N -0.759 118.361 119.070 0.083 0.000 3.064 768 H HA 0.127 4.674 4.556 -0.014 0.000 0.232 768 H C -0.707 174.636 175.328 0.026 0.000 1.308 768 H CA -0.399 55.691 56.048 0.070 0.000 1.010 768 H CB 0.689 30.500 29.762 0.082 0.000 2.408 768 H HN -0.077 nan 8.280 nan 0.000 0.599 769 D N 1.633 122.066 120.400 0.055 0.000 2.344 769 D HA 0.068 4.699 4.640 -0.014 0.000 0.253 769 D C 1.155 177.385 176.300 -0.117 0.000 1.255 769 D CA -0.008 53.984 54.000 -0.013 0.000 0.894 769 D CB 0.674 41.424 40.800 -0.083 0.000 1.067 769 D HN 0.347 nan 8.370 nan 0.000 0.492 770 R N 2.426 122.795 120.500 -0.217 0.000 2.235 770 R HA -0.011 4.321 4.340 -0.014 0.000 0.213 770 R C 0.580 176.325 176.300 -0.926 0.000 1.059 770 R CA 0.810 56.554 56.100 -0.593 0.000 0.997 770 R CB 0.182 30.036 30.300 -0.743 0.000 0.884 770 R HN 0.363 nan 8.270 nan 0.000 0.462 771 F N 1.365 121.263 119.950 -0.087 0.000 2.698 771 F HA 0.175 4.694 4.527 -0.013 0.000 0.304 771 F C -0.121 175.553 175.800 -0.210 0.000 1.108 771 F CA -0.714 57.224 58.000 -0.102 0.000 1.263 771 F CB 0.350 39.347 39.000 -0.006 0.000 1.013 771 F HN -0.139 nan 8.300 nan 0.000 0.532 772 K N -0.508 119.691 120.400 -0.335 0.000 4.166 772 K HA -0.214 4.098 4.320 -0.014 0.000 0.276 772 K C 0.459 176.885 176.600 -0.290 0.000 0.808 772 K CA 0.305 56.202 56.287 -0.650 0.000 0.717 772 K CB -1.800 29.990 32.500 -1.182 0.000 1.774 772 K HN 0.273 nan 8.250 nan 0.000 0.427 773 V N 1.178 121.002 119.914 -0.151 0.000 2.332 773 V HA -0.251 3.861 4.120 -0.014 0.000 0.248 773 V C 2.051 178.244 176.094 0.164 0.000 1.055 773 V CA 2.024 64.326 62.300 0.003 0.000 1.038 773 V CB -0.630 31.196 31.823 0.006 0.000 0.651 773 V HN 0.597 nan 8.190 nan 0.000 0.450 774 F N 0.661 120.607 119.950 -0.006 0.000 2.365 774 F HA 0.003 4.522 4.527 -0.014 0.000 0.300 774 F C 2.378 177.958 175.800 -0.367 0.000 1.090 774 F CA 0.549 58.493 58.000 -0.094 0.000 1.408 774 F CB -1.503 37.432 39.000 -0.108 0.000 1.060 774 F HN 0.162 nan 8.300 nan 0.000 0.534 775 A N -0.518 122.149 122.820 -0.255 0.000 2.067 775 A HA -0.129 4.183 4.320 -0.014 0.000 0.219 775 A C 1.650 179.259 177.584 0.042 0.000 1.158 775 A CA 1.694 53.551 52.037 -0.300 0.000 0.661 775 A CB -0.461 18.482 19.000 -0.095 0.000 0.801 775 A HN 0.181 nan 8.150 nan 0.000 0.452 776 D N -2.693 117.778 120.400 0.118 0.000 2.369 776 D HA 0.085 4.716 4.640 -0.014 0.000 0.211 776 D C 1.144 177.606 176.300 0.269 0.000 1.077 776 D CA 0.008 54.149 54.000 0.234 0.000 0.842 776 D CB -0.102 40.866 40.800 0.281 0.000 0.947 776 D HN 0.571 nan 8.370 nan 0.000 0.509 777 Y N 2.141 122.535 120.300 0.156 0.000 2.114 777 Y HA -0.177 4.365 4.550 -0.013 0.000 0.284 777 Y C 2.047 178.036 175.900 0.149 0.000 1.143 777 Y CA 1.782 59.984 58.100 0.170 0.000 1.135 777 Y CB 0.178 38.718 38.460 0.133 0.000 0.980 777 Y HN -0.122 nan 8.280 nan 0.000 0.499 778 E N 0.065 120.347 120.200 0.136 0.000 2.023 778 E HA -0.266 4.076 4.350 -0.014 0.000 0.196 778 E C 2.198 178.787 176.600 -0.019 0.000 1.003 778 E CA 1.561 57.981 56.400 0.034 0.000 0.809 778 E CB -0.275 29.528 29.700 0.172 0.000 0.755 778 E HN 0.603 nan 8.360 nan 0.000 0.449 779 E N -0.212 120.045 120.200 0.095 0.000 2.160 779 E HA -0.210 4.132 4.350 -0.014 0.000 0.195 779 E C 1.903 178.517 176.600 0.023 0.000 0.991 779 E CA 0.809 57.284 56.400 0.126 0.000 0.810 779 E CB -0.066 29.794 29.700 0.266 0.000 0.742 779 E HN 0.249 nan 8.360 nan 0.000 0.466 780 Y N 0.626 120.742 120.300 -0.306 0.000 2.184 780 Y HA -0.173 4.369 4.550 -0.014 0.000 0.290 780 Y C 2.171 177.703 175.900 -0.612 0.000 1.129 780 Y CA 1.431 59.051 58.100 -0.800 0.000 1.144 780 Y CB -0.436 37.523 38.460 -0.835 0.000 0.995 780 Y HN -0.034 nan 8.280 nan 0.000 0.513 781 V N -1.046 118.506 119.914 -0.603 0.000 2.515 781 V HA -0.146 3.966 4.120 -0.014 0.000 0.250 781 V C 2.084 177.960 176.094 -0.363 0.000 1.058 781 V CA 2.080 64.043 62.300 -0.561 0.000 1.064 781 V CB -0.652 30.911 31.823 -0.433 0.000 0.675 781 V HN 0.150 nan 8.190 nan 0.000 0.461 782 K N 0.078 120.329 120.400 -0.249 0.000 2.057 782 K HA -0.033 4.279 4.320 -0.014 0.000 0.206 782 K C 2.279 178.795 176.600 -0.139 0.000 1.050 782 K CA 1.800 58.006 56.287 -0.135 0.000 0.935 782 K CB -1.292 31.176 32.500 -0.053 0.000 0.715 782 K HN 0.635 nan 8.250 nan 0.000 0.439 783 C N 1.036 120.232 119.300 -0.173 0.000 2.429 783 C HA -0.112 4.340 4.460 -0.014 0.000 0.277 783 C C 2.434 177.270 174.990 -0.257 0.000 1.262 783 C CA 0.815 59.760 59.018 -0.122 0.000 1.733 783 C CB -0.650 27.041 27.740 -0.081 0.000 2.010 783 C HN 0.448 nan 8.230 nan 0.000 0.483 784 Q N 0.372 119.887 119.800 -0.474 0.000 2.124 784 Q HA -0.178 4.154 4.340 -0.014 0.000 0.202 784 Q C 1.987 177.816 176.000 -0.285 0.000 0.977 784 Q CA 1.613 57.112 55.803 -0.508 0.000 0.850 784 Q CB -0.424 27.825 28.738 -0.815 0.000 0.901 784 Q HN 0.756 nan 8.270 nan 0.000 0.429 785 E N 0.417 120.496 120.200 -0.202 0.000 2.085 785 E HA -0.177 4.165 4.350 -0.014 0.000 0.194 785 E C 2.015 178.577 176.600 -0.064 0.000 0.994 785 E CA 0.927 57.263 56.400 -0.106 0.000 0.801 785 E CB -0.018 29.637 29.700 -0.075 0.000 0.743 785 E HN 0.310 nan 8.360 nan 0.000 0.453 786 R N 0.448 120.921 120.500 -0.046 0.000 2.148 786 R HA -0.059 4.273 4.340 -0.014 0.000 0.223 786 R C 2.610 178.919 176.300 0.015 0.000 1.088 786 R CA 1.211 57.341 56.100 0.050 0.000 0.985 786 R CB -0.476 29.922 30.300 0.164 0.000 0.880 786 R HN 0.206 nan 8.270 nan 0.000 0.451 787 V N -1.196 118.560 119.914 -0.262 0.000 2.591 787 V HA -0.075 4.037 4.120 -0.014 0.000 0.249 787 V C 1.828 177.929 176.094 0.013 0.000 1.053 787 V CA 1.679 63.763 62.300 -0.360 0.000 1.068 787 V CB 0.018 31.408 31.823 -0.723 0.000 0.689 787 V HN 0.082 nan 8.190 nan 0.000 0.462 788 S N 1.367 117.039 115.700 -0.047 0.000 2.406 788 S HA 0.108 4.570 4.470 -0.014 0.000 0.228 788 S C 2.260 176.906 174.600 0.076 0.000 1.020 788 S CA 1.335 59.530 58.200 -0.008 0.000 0.965 788 S CB -0.479 62.683 63.200 -0.063 0.000 0.798 788 S HN 0.938 nan 8.310 nan 0.000 0.488 789 A N 1.497 124.367 122.820 0.083 0.000 1.902 789 A HA 0.055 4.367 4.320 -0.014 0.000 0.217 789 A C 2.047 179.728 177.584 0.162 0.000 1.181 789 A CA 0.995 53.099 52.037 0.111 0.000 0.623 789 A CB -0.611 18.451 19.000 0.103 0.000 0.818 789 A HN 0.462 nan 8.150 nan 0.000 0.443 790 L N -2.090 119.294 121.223 0.269 0.000 2.313 790 L HA -0.068 4.264 4.340 -0.014 0.000 0.214 790 L C 2.364 179.408 176.870 0.290 0.000 1.119 790 L CA 1.089 56.169 54.840 0.400 0.000 0.809 790 L CB -0.271 42.191 42.059 0.672 0.000 0.933 790 L HN 0.615 nan 8.230 nan 0.000 0.449 791 Y N 0.816 121.046 120.300 -0.116 0.000 2.314 791 Y HA -0.240 4.303 4.550 -0.012 0.000 0.293 791 Y C 2.433 178.154 175.900 -0.299 0.000 1.129 791 Y CA 1.485 59.188 58.100 -0.663 0.000 1.201 791 Y CB -0.010 38.020 38.460 -0.716 0.000 0.999 791 Y HN -0.013 nan 8.280 nan 0.000 0.541 792 K N 0.385 120.731 120.400 -0.089 0.000 2.519 792 K HA -0.146 4.166 4.320 -0.014 0.000 0.196 792 K C 0.089 176.645 176.600 -0.074 0.000 1.041 792 K CA 0.745 57.002 56.287 -0.050 0.000 0.954 792 K CB -0.209 32.331 32.500 0.066 0.000 0.774 792 K HN 0.126 nan 8.250 nan 0.000 0.480 793 N N 0.098 118.763 118.700 -0.059 0.000 2.841 793 N HA 0.164 4.896 4.740 -0.014 0.000 0.257 793 N C -2.507 172.991 175.510 -0.020 0.000 1.396 793 N CA -2.175 50.866 53.050 -0.015 0.000 0.823 793 N CB 1.358 39.877 38.487 0.054 0.000 1.162 793 N HN -0.197 nan 8.380 nan 0.000 0.503 794 P HA -0.193 nan 4.420 nan 0.000 0.218 794 P C 1.300 178.608 177.300 0.013 0.000 1.152 794 P CA 1.268 64.299 63.100 -0.115 0.000 0.857 794 P CB 0.383 31.987 31.700 -0.161 0.000 0.787 795 R N -0.580 119.931 120.500 0.019 0.000 2.073 795 R HA -0.113 4.219 4.340 -0.014 0.000 0.229 795 R C 1.937 178.278 176.300 0.069 0.000 1.120 795 R CA 1.259 57.381 56.100 0.036 0.000 0.967 795 R CB -0.216 30.097 30.300 0.023 0.000 0.862 795 R HN 0.026 nan 8.270 nan 0.000 0.436 796 E N -0.638 119.614 120.200 0.087 0.000 2.158 796 E HA -0.139 4.203 4.350 -0.014 0.000 0.191 796 E C 1.271 177.973 176.600 0.171 0.000 0.982 796 E CA 0.705 57.168 56.400 0.106 0.000 0.823 796 E CB -0.275 29.485 29.700 0.100 0.000 0.766 796 E HN 0.315 nan 8.360 nan 0.000 0.468 797 W N 1.126 122.433 121.300 0.010 0.000 2.335 797 W HA -0.171 4.480 4.660 -0.015 0.000 0.311 797 W C 2.198 178.727 176.519 0.017 0.000 1.213 797 W CA 2.244 59.610 57.345 0.035 0.000 1.274 797 W CB -0.667 28.803 29.460 0.017 0.000 1.148 797 W HN 0.022 nan 8.180 nan 0.000 0.498 798 T N -0.264 114.413 114.554 0.206 0.000 2.951 798 T HA -0.116 4.226 4.350 -0.014 0.000 0.268 798 T C 1.745 176.469 174.700 0.041 0.000 1.073 798 T CA 1.195 63.353 62.100 0.097 0.000 1.134 798 T CB -0.156 68.746 68.868 0.057 0.000 0.884 798 T HN 0.148 nan 8.240 nan 0.000 0.479 799 R N 0.477 121.005 120.500 0.046 0.000 2.073 799 R HA 0.171 4.503 4.340 -0.014 0.000 0.229 799 R C 2.505 178.806 176.300 0.002 0.000 1.120 799 R CA 0.989 57.110 56.100 0.036 0.000 0.967 799 R CB -0.345 29.979 30.300 0.041 0.000 0.862 799 R HN 0.331 nan 8.270 nan 0.000 0.436 800 M N 0.683 120.259 119.600 -0.040 0.000 2.080 800 M HA -0.178 4.294 4.480 -0.014 0.000 0.260 800 M C 2.055 178.281 176.300 -0.123 0.000 1.068 800 M CA 1.519 56.754 55.300 -0.109 0.000 1.109 800 M CB 0.021 32.495 32.600 -0.208 0.000 1.342 800 M HN -0.017 nan 8.290 nan 0.000 0.405 801 V N 0.829 120.662 119.914 -0.135 0.000 2.324 801 V HA -0.329 3.783 4.120 -0.014 0.000 0.250 801 V C 2.173 178.245 176.094 -0.036 0.000 1.060 801 V CA 2.076 64.315 62.300 -0.102 0.000 1.042 801 V CB -0.638 31.157 31.823 -0.047 0.000 0.650 801 V HN 0.528 nan 8.190 nan 0.000 0.450 802 I N -0.912 119.656 120.570 -0.004 0.000 2.614 802 I HA -0.181 3.980 4.170 -0.014 0.000 0.258 802 I C 2.575 178.725 176.117 0.056 0.000 1.189 802 I CA 0.955 62.285 61.300 0.050 0.000 1.462 802 I CB -0.249 37.818 38.000 0.111 0.000 1.092 802 I HN 0.193 nan 8.210 nan 0.000 0.442 803 R N 0.717 121.231 120.500 0.024 0.000 2.119 803 R HA -0.007 4.325 4.340 -0.014 0.000 0.222 803 R C 1.960 178.285 176.300 0.041 0.000 1.088 803 R CA 0.948 57.065 56.100 0.028 0.000 0.984 803 R CB -0.421 29.882 30.300 0.005 0.000 0.884 803 R HN 0.404 nan 8.270 nan 0.000 0.447 804 N N -0.085 118.628 118.700 0.023 0.000 2.148 804 N HA -0.052 4.680 4.740 -0.014 0.000 0.186 804 N C 1.786 177.339 175.510 0.071 0.000 1.031 804 N CA 1.276 54.358 53.050 0.053 0.000 0.848 804 N CB -0.017 38.464 38.487 -0.011 0.000 1.005 804 N HN 0.108 nan 8.380 nan 0.000 0.427 805 I N 1.751 122.351 120.570 0.050 0.000 2.151 805 I HA -0.263 3.899 4.170 -0.014 0.000 0.243 805 I C 2.385 178.538 176.117 0.061 0.000 1.080 805 I CA 1.110 62.443 61.300 0.055 0.000 1.339 805 I CB -0.282 37.740 38.000 0.037 0.000 1.039 805 I HN 0.102 nan 8.210 nan 0.000 0.409 806 A N -1.133 121.726 122.820 0.064 0.000 2.121 806 A HA -0.128 4.184 4.320 -0.014 0.000 0.218 806 A C 2.162 179.777 177.584 0.051 0.000 1.154 806 A CA 1.835 53.906 52.037 0.056 0.000 0.679 806 A CB -0.490 18.552 19.000 0.070 0.000 0.795 806 A HN 0.373 nan 8.150 nan 0.000 0.458 807 T N -0.649 113.947 114.554 0.069 0.000 3.085 807 T HA 0.107 4.449 4.350 -0.014 0.000 0.264 807 T C 1.404 176.171 174.700 0.112 0.000 1.019 807 T CA 0.646 62.788 62.100 0.070 0.000 0.910 807 T CB -0.208 68.703 68.868 0.072 0.000 1.059 807 T HN 0.605 nan 8.240 nan 0.000 0.542 808 S N -0.437 115.348 115.700 0.141 0.000 2.593 808 S HA 0.155 4.617 4.470 -0.014 0.000 0.217 808 S C 2.112 176.810 174.600 0.163 0.000 0.966 808 S CA 0.219 58.563 58.200 0.241 0.000 0.914 808 S CB -0.081 63.260 63.200 0.236 0.000 0.776 808 S HN 0.406 nan 8.310 nan 0.000 0.523 809 G N 1.977 110.810 108.800 0.055 0.000 2.598 809 G HA2 -0.087 3.865 3.960 -0.014 0.000 0.215 809 G HA3 -0.087 3.865 3.960 -0.014 0.000 0.215 809 G C 1.257 176.112 174.900 -0.074 0.000 1.131 809 G CA 0.314 45.429 45.100 0.025 0.000 0.785 809 G HN 0.546 nan 8.290 nan 0.000 0.539 810 K N -0.028 120.219 120.400 -0.255 0.000 2.147 810 K HA -0.051 4.261 4.320 -0.014 0.000 0.205 810 K C 0.822 177.158 176.600 -0.440 0.000 1.049 810 K CA 0.625 56.642 56.287 -0.450 0.000 0.936 810 K CB -0.220 31.807 32.500 -0.789 0.000 0.722 810 K HN 0.312 nan 8.250 nan 0.000 0.446 811 F N 1.187 121.165 119.950 0.047 0.000 2.696 811 F HA 0.145 4.664 4.527 -0.014 0.000 0.296 811 F C 0.763 176.607 175.800 0.072 0.000 1.181 811 F CA -0.174 57.861 58.000 0.058 0.000 1.411 811 F CB -0.155 38.876 39.000 0.053 0.000 1.014 811 F HN -0.159 nan 8.300 nan 0.000 0.512 812 S N -0.192 115.593 115.700 0.142 0.000 2.537 812 S HA 0.179 4.641 4.470 -0.014 0.000 0.275 812 S C 1.359 176.043 174.600 0.141 0.000 1.272 812 S CA -0.288 57.993 58.200 0.134 0.000 1.050 812 S CB 0.795 64.043 63.200 0.080 0.000 0.961 812 S HN 0.327 nan 8.310 nan 0.000 0.496 813 S N 3.162 118.965 115.700 0.171 0.000 2.547 813 S HA -0.053 4.409 4.470 -0.014 0.000 0.235 813 S C 0.780 175.426 174.600 0.076 0.000 0.980 813 S CA 0.529 58.843 58.200 0.189 0.000 0.941 813 S CB -0.273 63.099 63.200 0.287 0.000 0.763 813 S HN 0.769 nan 8.310 nan 0.000 0.532 814 D N 1.664 122.096 120.400 0.054 0.000 2.194 814 D HA -0.019 4.613 4.640 -0.014 0.000 0.204 814 D C 2.073 178.378 176.300 0.008 0.000 0.964 814 D CA 0.511 54.522 54.000 0.018 0.000 0.846 814 D CB -0.260 40.550 40.800 0.015 0.000 0.962 814 D HN 0.260 nan 8.370 nan 0.000 0.490 815 R N 0.975 121.485 120.500 0.016 0.000 2.066 815 R HA -0.069 4.263 4.340 -0.014 0.000 0.232 815 R C 1.759 178.058 176.300 -0.002 0.000 1.131 815 R CA 1.290 57.387 56.100 -0.004 0.000 0.955 815 R CB -0.722 29.565 30.300 -0.021 0.000 0.851 815 R HN 0.103 nan 8.270 nan 0.000 0.432 816 T N 2.234 116.810 114.554 0.036 0.000 2.652 816 T HA -0.119 4.223 4.350 -0.014 0.000 0.267 816 T C 1.949 176.669 174.700 0.032 0.000 1.039 816 T CA 1.358 63.500 62.100 0.071 0.000 1.153 816 T CB -0.135 68.847 68.868 0.190 0.000 0.863 816 T HN 0.087 nan 8.240 nan 0.000 0.428 817 I N 1.761 122.273 120.570 -0.097 0.000 2.315 817 I HA -0.063 4.099 4.170 -0.014 0.000 0.248 817 I C 2.899 178.990 176.117 -0.043 0.000 1.117 817 I CA 0.908 62.113 61.300 -0.159 0.000 1.404 817 I CB -1.622 36.279 38.000 -0.167 0.000 1.071 817 I HN 0.209 nan 8.210 nan 0.000 0.419 818 A N -0.046 122.761 122.820 -0.022 0.000 2.015 818 A HA -0.198 4.114 4.320 -0.014 0.000 0.219 818 A C 2.214 179.774 177.584 -0.040 0.000 1.163 818 A CA 1.179 53.210 52.037 -0.009 0.000 0.646 818 A CB -0.433 18.563 19.000 -0.006 0.000 0.806 818 A HN 0.523 nan 8.150 nan 0.000 0.448 819 Q N -2.035 117.722 119.800 -0.072 0.000 2.163 819 Q HA -0.082 4.250 4.340 -0.014 0.000 0.198 819 Q C 1.748 177.607 176.000 -0.236 0.000 0.954 819 Q CA 1.142 56.865 55.803 -0.134 0.000 0.851 819 Q CB -0.224 28.417 28.738 -0.161 0.000 0.928 819 Q HN 0.811 nan 8.270 nan 0.000 0.459 820 Y N 0.899 120.939 120.300 -0.434 0.000 2.097 820 Y HA -0.296 4.245 4.550 -0.014 0.000 0.282 820 Y C 2.525 177.930 175.900 -0.824 0.000 1.152 820 Y CA 1.370 58.973 58.100 -0.829 0.000 1.136 820 Y CB -0.462 37.168 38.460 -1.384 0.000 0.975 820 Y HN 0.151 nan 8.280 nan 0.000 0.498 821 A N 0.365 123.034 122.820 -0.251 0.000 1.873 821 A HA -0.266 4.046 4.320 -0.014 0.000 0.218 821 A C 2.244 179.871 177.584 0.072 0.000 1.193 821 A CA 2.270 54.392 52.037 0.140 0.000 0.629 821 A CB -0.671 18.447 19.000 0.196 0.000 0.826 821 A HN 0.446 nan 8.150 nan 0.000 0.447 822 R N -0.737 119.761 120.500 -0.005 0.000 2.090 822 R HA -0.056 4.275 4.340 -0.014 0.000 0.228 822 R C 1.527 177.816 176.300 -0.019 0.000 1.110 822 R CA 1.557 57.657 56.100 -0.001 0.000 0.973 822 R CB -0.151 30.140 30.300 -0.016 0.000 0.869 822 R HN 0.702 nan 8.270 nan 0.000 0.440 823 E N -0.904 119.246 120.200 -0.083 0.000 2.511 823 E HA 0.148 4.490 4.350 -0.014 0.000 0.209 823 E C 1.222 177.782 176.600 -0.067 0.000 0.986 823 E CA 0.106 56.464 56.400 -0.070 0.000 0.974 823 E CB 0.723 30.360 29.700 -0.104 0.000 1.030 823 E HN 0.273 nan 8.360 nan 0.000 0.490 824 I N -1.006 119.485 120.570 -0.131 0.000 4.033 824 I HA 0.063 4.225 4.170 -0.014 0.000 0.296 824 I C 1.261 177.483 176.117 0.176 0.000 1.210 824 I CA -0.003 61.260 61.300 -0.062 0.000 1.341 824 I CB 0.323 38.140 38.000 -0.305 0.000 1.369 824 I HN 0.113 nan 8.210 nan 0.000 0.453 825 W N 1.382 122.775 121.300 0.154 0.000 2.640 825 W HA 0.346 4.997 4.660 -0.014 0.000 0.268 825 W C 1.590 178.154 176.519 0.075 0.000 1.263 825 W CA 0.825 58.245 57.345 0.125 0.000 1.344 825 W CB -0.838 28.680 29.460 0.096 0.000 1.093 825 W HN 0.290 nan 8.180 nan 0.000 0.603 826 G N 0.950 109.892 108.800 0.237 0.000 2.182 826 G HA2 -0.132 3.819 3.960 -0.014 0.000 0.248 826 G HA3 -0.132 3.819 3.960 -0.014 0.000 0.248 826 G C -0.250 174.727 174.900 0.128 0.000 1.042 826 G CA 0.216 45.401 45.100 0.140 0.000 0.775 826 G HN 0.333 nan 8.290 nan 0.000 0.501 827 V N -4.490 115.516 119.914 0.154 0.000 3.074 827 V HA 0.953 5.065 4.120 -0.014 0.000 0.314 827 V C -0.371 175.781 176.094 0.096 0.000 1.117 827 V CA -1.659 60.708 62.300 0.113 0.000 1.014 827 V CB 2.315 34.208 31.823 0.116 0.000 1.057 827 V HN 0.109 nan 8.190 nan 0.000 0.438 828 E N 2.714 122.955 120.200 0.068 0.000 2.166 828 E HA 0.536 4.878 4.350 -0.014 0.000 0.275 828 E C -2.577 174.056 176.600 0.053 0.000 0.941 828 E CA -1.908 54.525 56.400 0.055 0.000 0.784 828 E CB 1.954 31.679 29.700 0.042 0.000 1.115 828 E HN 0.737 nan 8.360 nan 0.000 0.399 829 P HA -0.002 nan 4.420 nan 0.000 0.269 829 P C -0.573 176.750 177.300 0.037 0.000 1.205 829 P CA -0.012 63.114 63.100 0.042 0.000 0.780 829 P CB 0.628 32.349 31.700 0.035 0.000 0.858 830 S N 1.018 116.739 115.700 0.036 0.000 2.720 830 S HA 0.242 4.704 4.470 -0.014 0.000 0.278 830 S C 0.007 174.625 174.600 0.031 0.000 1.172 830 S CA -0.679 57.542 58.200 0.034 0.000 1.019 830 S CB 1.038 64.263 63.200 0.042 0.000 1.049 830 S HN 0.288 nan 8.310 nan 0.000 0.483 831 R N 2.387 122.903 120.500 0.027 0.000 4.394 831 R HA 0.185 4.517 4.340 -0.014 0.000 0.257 831 R C -0.309 176.002 176.300 0.018 0.000 1.727 831 R CA -0.042 56.073 56.100 0.026 0.000 1.497 831 R CB 0.115 30.432 30.300 0.028 0.000 1.406 831 R HN 0.555 nan 8.270 nan 0.000 0.745 832 Q N 1.162 120.972 119.800 0.016 0.000 2.340 832 Q HA 0.234 4.566 4.340 -0.014 0.000 0.259 832 Q C -0.539 175.456 176.000 -0.009 0.000 0.964 832 Q CA -0.859 54.948 55.803 0.007 0.000 0.900 832 Q CB 1.667 30.414 28.738 0.015 0.000 1.228 832 Q HN 0.023 nan 8.270 nan 0.000 0.449 833 R N 1.654 122.143 120.500 -0.018 0.000 2.502 833 R HA 0.010 4.342 4.340 -0.014 0.000 0.292 833 R C -0.387 175.882 176.300 -0.051 0.000 0.998 833 R CA -0.043 56.035 56.100 -0.036 0.000 1.056 833 R CB -0.054 30.224 30.300 -0.037 0.000 0.939 833 R HN 0.446 nan 8.270 nan 0.000 0.411 834 L N 6.365 127.542 121.223 -0.077 0.000 2.456 834 L HA 0.211 4.543 4.340 -0.014 0.000 0.272 834 L C -1.844 174.970 176.870 -0.094 0.000 1.189 834 L CA -1.542 53.222 54.840 -0.126 0.000 0.846 834 L CB 0.574 42.533 42.059 -0.166 0.000 1.111 834 L HN 0.551 nan 8.230 nan 0.000 0.475 835 P HA 0.152 nan 4.420 nan 0.000 0.257 835 P C -0.350 176.926 177.300 -0.040 0.000 1.359 835 P CA 0.889 63.960 63.100 -0.048 0.000 1.239 835 P CB -0.202 31.480 31.700 -0.031 0.000 1.549 836 A N 5.785 128.584 122.820 -0.034 0.000 6.890 836 A HA -0.175 4.137 4.320 -0.014 0.000 0.242 836 A C -1.242 176.330 177.584 -0.021 0.000 2.184 836 A CA 0.234 52.257 52.037 -0.023 0.000 0.705 836 A CB -1.732 17.261 19.000 -0.012 0.000 0.983 836 A HN 0.392 nan 8.150 nan 0.000 0.384 837 P HA 0.080 nan 4.420 nan 0.000 0.226 837 P C 0.255 177.558 177.300 0.005 0.000 1.161 837 P CA 0.921 64.024 63.100 0.005 0.000 0.804 837 P CB -0.478 31.234 31.700 0.021 0.000 0.829 838 D N 1.848 122.250 120.400 0.003 0.000 3.434 838 D HA -0.165 4.467 4.640 -0.014 0.000 0.215 838 D C 1.462 177.763 176.300 0.002 0.000 1.157 838 D CA 0.772 54.773 54.000 0.003 0.000 0.785 838 D CB 0.148 40.949 40.800 0.002 0.000 1.164 838 D HN 0.060 nan 8.370 nan 0.000 0.580 839 E N 3.339 123.539 120.200 0.000 0.000 3.549 839 E HA -0.462 3.880 4.350 -0.014 0.000 0.447 839 E C -0.017 176.581 176.600 -0.003 0.000 1.471 839 E CA 2.612 59.010 56.400 -0.003 0.000 1.397 839 E CB -0.544 29.154 29.700 -0.005 0.000 1.307 839 E HN 0.879 nan 8.360 nan 0.000 0.346 840 K N 0.084 120.482 120.400 -0.002 0.000 6.310 840 K HA -0.164 4.148 4.320 -0.014 0.000 0.657 840 K C -0.465 176.132 176.600 -0.005 0.000 2.391 840 K CA 1.405 57.691 56.287 -0.002 0.000 1.744 840 K CB -0.717 31.785 32.500 0.004 0.000 1.874 840 K HN 0.341 nan 8.250 nan 0.000 0.277 841 I N 3.984 124.551 120.570 -0.006 0.000 2.411 841 I HA 0.349 4.511 4.170 -0.014 0.000 0.284 841 I C -1.507 174.608 176.117 -0.003 0.000 1.012 841 I CA -2.039 59.256 61.300 -0.008 0.000 1.119 841 I CB 0.966 38.959 38.000 -0.012 0.000 1.261 841 I HN 0.839 nan 8.210 nan 0.000 0.448 842 P HA 0.000 nan 4.420 nan 0.000 0.216 842 P CA 0.000 63.101 63.100 0.001 0.000 0.800 842 P CB 0.000 31.705 31.700 0.008 0.000 0.726