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 3kss_1_A DATA FIRST_RESID 5 DATA SEQUENCE IIRRSVANRF LVLMGALFLS IWGTWTIINT PVDALPDLSD VQVIIKTSYP DATA SEQUENCE GQAPQIVENQ VTYPLTTTML SVPGAKTVRG FSQFGDSYVY VIFEDGTDPY DATA SEQUENCE WARSRVLEYL NQVQGKLPAG VSAELGPDAT GVGWIYEYAL VDRSGKHDLA DATA SEQUENCE DLRSLQDWFL KYELKTIPDV AEVASVGGVV KEYQVVIDPQ RLAQYGISLA DATA SEQUENCE EVKSALDASN QEAGGSSIEL AEAEYMVRAS GYLQTLDDFN HIVLKASENG DATA SEQUENCE VPVYLRDVAK VQIGPEMRRG IAELNGEGEV AGGVVILRSG KNAREVIAAV DATA SEQUENCE KDKLETLKSS LPEGVEIVTT YDRSQLIDRA IDNLSGKLLE EFIVVAVVCA DATA SEQUENCE LFLWHVRSAL VAIISLPLGL CIAFIVMHFQ GLNANIMSLG GIAIAVGAMV DATA SEQUENCE DAAIVMIENA HKRLEEWQHQ XXXXXXXXKT RWQVITDASV EVGPALFISL DATA SEQUENCE LIITLSFIPI FTLEGQEGRL FGPLAFTKTY AMAGAALLAI VVIPILMGYX DATA SEQUENCE XXXXXXXXXX XPLNRFLIRV YHPLLLKVLH WPKTTLLVAA LSVLTVLWPL DATA SEQUENCE NKVGGEFLPQ INEGDLLYMP STLPGISAAE AASMLQKTDK LIMSVPEVAR DATA SEQUENCE VFGKTGKAET ATDSAPLEMV ETTIQLKPQE QWRPGMTMDK IIEELDNTVR DATA SEQUENCE LPGLANLWVP PIRNRIDMLS TGIKSPIGIK VSGTVLADID AMAEQIEEVA DATA SEQUENCE RTVPGVASAL AERLEGGRYI NVEINREKAA RYGMTVADVQ LFVTSAVGGA DATA SEQUENCE MVGETVEGIA RYPINLRYPQ SWRDSPQALR QLPILTPMKQ QITLADVADI DATA SEQUENCE KVSTGPSMLK TENARPTSWI YIDARDRDMV SVVHDLQKAI AEKVQLKPGT DATA SEQUENCE SVAFSGQFEL LERANHKLKL MVPMTLMIIF VLLYLAFRRV GEALLIISSV DATA SEQUENCE PFALVGGIWL LWWMGFHLSV ATGTGFIALA GVAAEFGVVM LMYLRHAIEA DATA SEQUENCE VPSLNNPQTF SEQKLDEALY HGAVLRVRPK AMTVAVIIAG LLPILWGTGA DATA SEQUENCE GSEVMSRIAA PMIGGMITAP LLSLFIIPAA YKLMW 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 5 I HA 0.000 nan 4.170 nan 0.000 0.288 5 I C 0.000 176.060 176.117 -0.094 0.000 1.063 5 I CA 0.000 61.236 61.300 -0.106 0.000 1.566 5 I CB 0.000 37.904 38.000 -0.160 0.000 1.214 6 I N 1.081 121.598 120.570 -0.088 0.000 2.716 6 I HA -0.062 4.109 4.170 0.002 0.000 0.259 6 I C 2.259 178.351 176.117 -0.043 0.000 1.172 6 I CA 1.194 62.456 61.300 -0.064 0.000 1.478 6 I CB -0.041 37.928 38.000 -0.051 0.000 1.104 6 I HN 0.166 nan 8.210 nan 0.000 0.439 7 R N 0.447 120.924 120.500 -0.040 0.000 2.189 7 R HA -0.082 4.259 4.340 0.002 0.000 0.223 7 R C 2.020 178.300 176.300 -0.033 0.000 1.092 7 R CA 0.726 56.808 56.100 -0.029 0.000 0.989 7 R CB -0.150 30.137 30.300 -0.021 0.000 0.876 7 R HN 0.227 nan 8.270 nan 0.000 0.457 8 R N 0.120 120.597 120.500 -0.039 0.000 2.303 8 R HA -0.085 4.256 4.340 0.002 0.000 0.225 8 R C 1.937 178.205 176.300 -0.054 0.000 1.114 8 R CA 1.528 57.604 56.100 -0.040 0.000 1.007 8 R CB -0.120 30.157 30.300 -0.039 0.000 0.861 8 R HN 0.229 nan 8.270 nan 0.000 0.471 9 S N -1.285 114.380 115.700 -0.059 0.000 2.556 9 S HA 0.014 4.485 4.470 0.002 0.000 0.216 9 S C 1.666 176.203 174.600 -0.105 0.000 0.970 9 S CA 0.216 58.365 58.200 -0.084 0.000 0.912 9 S CB 0.226 63.386 63.200 -0.066 0.000 0.790 9 S HN 0.183 nan 8.310 nan 0.000 0.504 10 V N -1.191 118.679 119.914 -0.074 0.000 3.174 10 V HA 0.510 4.631 4.120 0.002 0.000 0.254 10 V C 2.182 178.236 176.094 -0.068 0.000 1.120 10 V CA 0.735 62.995 62.300 -0.065 0.000 1.114 10 V CB -0.889 30.918 31.823 -0.028 0.000 0.756 10 V HN 0.441 nan 8.190 nan 0.000 0.467 11 A N 2.299 125.082 122.820 -0.062 0.000 2.239 11 A HA 0.117 4.438 4.320 0.002 0.000 0.209 11 A C 0.789 178.325 177.584 -0.080 0.000 1.171 11 A CA 1.001 53.018 52.037 -0.032 0.000 0.768 11 A CB -0.995 17.999 19.000 -0.009 0.000 0.790 11 A HN 0.958 nan 8.150 nan 0.000 0.478 12 N N -1.845 116.699 118.700 -0.260 0.000 2.679 12 N HA 0.182 4.924 4.740 0.002 0.000 0.240 12 N C 0.002 175.018 175.510 -0.823 0.000 1.537 12 N CA -0.558 52.020 53.050 -0.786 0.000 0.793 12 N CB -0.147 37.872 38.487 -0.780 0.000 1.391 12 N HN 0.079 nan 8.380 nan 0.000 0.524 13 R N 0.285 120.528 120.500 -0.427 0.000 2.105 13 R HA -0.058 4.283 4.340 0.002 0.000 0.239 13 R C 1.368 177.530 176.300 -0.229 0.000 1.135 13 R CA 1.865 57.827 56.100 -0.231 0.000 0.967 13 R CB -1.198 29.056 30.300 -0.078 0.000 0.861 13 R HN 0.529 nan 8.270 nan 0.000 0.442 14 F N 0.504 120.432 119.950 -0.037 0.000 2.120 14 F HA -0.134 4.394 4.527 0.002 0.000 0.300 14 F C 1.989 177.768 175.800 -0.036 0.000 1.095 14 F CA 0.928 58.902 58.000 -0.044 0.000 1.249 14 F CB -0.998 37.978 39.000 -0.039 0.000 0.995 14 F HN 0.016 nan 8.300 nan 0.000 0.480 15 L N 1.520 122.416 121.223 -0.545 0.000 2.013 15 L HA -0.180 4.162 4.340 0.002 0.000 0.212 15 L C 2.513 179.329 176.870 -0.090 0.000 1.073 15 L CA 2.164 56.870 54.840 -0.224 0.000 0.753 15 L CB -0.401 41.433 42.059 -0.375 0.000 0.890 15 L HN 0.284 nan 8.230 nan 0.000 0.432 16 V N -2.869 116.964 119.914 -0.135 0.000 2.591 16 V HA -0.145 3.976 4.120 0.002 0.000 0.249 16 V C 2.367 178.429 176.094 -0.054 0.000 1.053 16 V CA 1.219 63.478 62.300 -0.068 0.000 1.068 16 V CB -0.757 31.023 31.823 -0.072 0.000 0.689 16 V HN 0.472 nan 8.190 nan 0.000 0.462 17 L N 1.587 122.774 121.223 -0.060 0.000 1.994 17 L HA -0.104 4.237 4.340 0.002 0.000 0.208 17 L C 2.567 179.365 176.870 -0.120 0.000 1.071 17 L CA 3.042 57.848 54.840 -0.057 0.000 0.745 17 L CB -0.713 41.328 42.059 -0.029 0.000 0.892 17 L HN 0.561 nan 8.230 nan 0.000 0.431 18 M N -2.182 117.334 119.600 -0.140 0.000 2.132 18 M HA 0.057 4.538 4.480 0.002 0.000 0.263 18 M C 2.129 178.060 176.300 -0.615 0.000 1.065 18 M CA 1.894 56.964 55.300 -0.382 0.000 1.122 18 M CB -1.865 30.604 32.600 -0.218 0.000 1.365 18 M HN 0.205 nan 8.290 nan 0.000 0.411 19 G N -0.013 108.731 108.800 -0.093 0.000 2.501 19 G HA2 0.025 3.986 3.960 0.002 0.000 0.220 19 G HA3 0.025 3.986 3.960 0.002 0.000 0.220 19 G C 1.459 176.443 174.900 0.140 0.000 1.114 19 G CA 1.040 46.282 45.100 0.238 0.000 0.757 19 G HN 0.680 nan 8.290 nan 0.000 0.559 20 A N 0.443 123.239 122.820 -0.039 0.000 2.085 20 A HA 0.325 4.647 4.320 0.002 0.000 0.208 20 A C 2.118 179.680 177.584 -0.038 0.000 1.191 20 A CA 0.626 52.654 52.037 -0.015 0.000 0.799 20 A CB -0.130 18.858 19.000 -0.020 0.000 0.877 20 A HN 0.476 nan 8.150 nan 0.000 0.473 21 L N -3.090 118.035 121.223 -0.164 0.000 2.610 21 L HA 0.141 4.482 4.340 0.002 0.000 0.232 21 L C 1.396 178.207 176.870 -0.098 0.000 1.149 21 L CA 1.158 55.916 54.840 -0.137 0.000 0.872 21 L CB -1.210 40.746 42.059 -0.172 0.000 0.992 21 L HN 0.165 nan 8.230 nan 0.000 0.447 22 F N 0.578 120.567 119.950 0.065 0.000 2.234 22 F HA 0.009 4.537 4.527 0.002 0.000 0.296 22 F C 2.419 178.301 175.800 0.137 0.000 1.089 22 F CA 0.625 58.682 58.000 0.095 0.000 1.343 22 F CB -0.492 38.541 39.000 0.054 0.000 1.040 22 F HN -0.003 nan 8.300 nan 0.000 0.498 23 L N -0.963 120.396 121.223 0.227 0.000 2.093 23 L HA -0.161 4.181 4.340 0.002 0.000 0.208 23 L C 2.587 179.587 176.870 0.217 0.000 1.085 23 L CA 1.666 56.596 54.840 0.149 0.000 0.755 23 L CB -1.345 40.740 42.059 0.043 0.000 0.904 23 L HN 0.227 nan 8.230 nan 0.000 0.435 24 S N -0.152 115.646 115.700 0.163 0.000 2.368 24 S HA -0.105 4.366 4.470 0.002 0.000 0.224 24 S C 2.004 176.727 174.600 0.205 0.000 1.029 24 S CA 0.852 59.144 58.200 0.153 0.000 0.988 24 S CB 0.065 63.318 63.200 0.088 0.000 0.838 24 S HN 0.292 nan 8.310 nan 0.000 0.462 25 I N 0.753 121.457 120.570 0.223 0.000 2.406 25 I HA -0.065 4.106 4.170 0.002 0.000 0.249 25 I C 2.270 178.578 176.117 0.320 0.000 1.122 25 I CA 0.888 62.324 61.300 0.226 0.000 1.431 25 I CB -0.187 37.929 38.000 0.193 0.000 1.087 25 I HN 0.576 nan 8.210 nan 0.000 0.424 26 W N 1.848 123.261 121.300 0.189 0.000 2.378 26 W HA -0.087 4.575 4.660 0.003 0.000 0.313 26 W C 2.024 178.733 176.519 0.316 0.000 1.197 26 W CA 1.731 59.222 57.345 0.243 0.000 1.304 26 W CB -1.106 28.474 29.460 0.200 0.000 1.148 26 W HN 0.120 nan 8.180 nan 0.000 0.494 27 G N 0.657 109.876 108.800 0.699 0.000 2.739 27 G HA2 -0.451 3.511 3.960 0.002 0.000 0.216 27 G HA3 -0.451 3.511 3.960 0.002 0.000 0.216 27 G C 1.500 176.611 174.900 0.351 0.000 1.298 27 G CA 2.913 48.332 45.100 0.531 0.000 0.804 27 G HN 0.328 nan 8.290 nan 0.000 0.623 28 T N -0.323 114.395 114.554 0.273 0.000 2.755 28 T HA -0.250 4.101 4.350 0.002 0.000 0.266 28 T C 1.800 176.609 174.700 0.182 0.000 1.041 28 T CA 2.283 64.500 62.100 0.196 0.000 1.147 28 T CB -0.352 68.615 68.868 0.165 0.000 0.847 28 T HN 0.567 nan 8.240 nan 0.000 0.478 29 W N 0.693 122.013 121.300 0.033 0.000 2.413 29 W HA -0.075 4.586 4.660 0.002 0.000 0.315 29 W C 1.857 178.344 176.519 -0.053 0.000 1.186 29 W CA 1.427 58.749 57.345 -0.039 0.000 1.326 29 W CB -0.956 28.443 29.460 -0.103 0.000 1.153 29 W HN 0.203 nan 8.180 nan 0.000 0.489 30 T N 2.445 116.727 114.554 -0.453 0.000 2.833 30 T HA -0.206 4.145 4.350 0.002 0.000 0.269 30 T C 1.881 176.429 174.700 -0.253 0.000 1.054 30 T CA 1.832 63.635 62.100 -0.496 0.000 1.135 30 T CB -0.361 68.474 68.868 -0.055 0.000 0.869 30 T HN 0.348 nan 8.240 nan 0.000 0.466 31 I N 0.214 120.727 120.570 -0.096 0.000 2.277 31 I HA -0.051 4.121 4.170 0.002 0.000 0.243 31 I C 2.116 178.073 176.117 -0.267 0.000 1.094 31 I CA 1.206 62.383 61.300 -0.206 0.000 1.393 31 I CB -0.160 37.874 38.000 0.057 0.000 1.078 31 I HN 0.112 nan 8.210 nan 0.000 0.417 32 I N 1.862 122.329 120.570 -0.173 0.000 2.394 32 I HA -0.236 3.936 4.170 0.002 0.000 0.251 32 I C 1.757 177.741 176.117 -0.222 0.000 1.136 32 I CA 1.604 62.813 61.300 -0.151 0.000 1.425 32 I CB -1.096 36.867 38.000 -0.061 0.000 1.079 32 I HN 0.362 nan 8.210 nan 0.000 0.425 33 N N 0.128 118.611 118.700 -0.362 0.000 2.290 33 N HA -0.063 4.678 4.740 0.002 0.000 0.179 33 N C 0.584 175.883 175.510 -0.353 0.000 1.016 33 N CA 0.736 53.531 53.050 -0.426 0.000 0.871 33 N CB -0.353 37.640 38.487 -0.824 0.000 0.987 33 N HN 0.378 nan 8.380 nan 0.000 0.431 34 T N 0.667 115.007 114.554 -0.356 0.000 2.906 34 T HA 0.057 4.408 4.350 0.002 0.000 0.329 34 T C -2.368 172.198 174.700 -0.224 0.000 1.091 34 T CA -0.979 60.949 62.100 -0.287 0.000 1.127 34 T CB 0.272 68.975 68.868 -0.275 0.000 1.035 34 T HN 0.059 nan 8.240 nan 0.000 0.547 35 P HA 0.480 nan 4.420 nan 0.000 0.282 35 P C -1.061 176.171 177.300 -0.113 0.000 1.249 35 P CA -0.629 62.390 63.100 -0.134 0.000 0.806 35 P CB 1.379 33.009 31.700 -0.118 0.000 0.984 36 V N 1.936 121.799 119.914 -0.085 0.000 2.638 36 V HA 0.600 4.721 4.120 0.002 0.000 0.306 36 V C -1.355 174.721 176.094 -0.031 0.000 1.052 36 V CA -0.337 61.925 62.300 -0.064 0.000 0.885 36 V CB 1.901 33.684 31.823 -0.068 0.000 0.999 36 V HN 0.652 nan 8.190 nan 0.000 0.424 37 D N 4.082 124.471 120.400 -0.017 0.000 2.583 37 D HA 0.786 5.427 4.640 0.002 0.000 0.248 37 D C -0.592 175.715 176.300 0.012 0.000 1.209 37 D CA 0.154 54.157 54.000 0.006 0.000 0.848 37 D CB 2.476 43.282 40.800 0.010 0.000 1.431 37 D HN 0.920 nan 8.370 nan 0.000 0.436 38 A N 1.907 124.743 122.820 0.027 0.000 2.310 38 A HA 0.669 4.990 4.320 0.002 0.000 0.299 38 A C -0.595 177.004 177.584 0.024 0.000 1.147 38 A CA -0.351 51.701 52.037 0.025 0.000 0.818 38 A CB 0.273 19.293 19.000 0.034 0.000 1.096 38 A HN 0.690 nan 8.150 nan 0.000 0.495 39 L N 0.591 121.822 121.223 0.013 0.000 2.768 39 L HA -0.098 4.243 4.340 0.002 0.000 0.566 39 L C -2.506 174.371 176.870 0.011 0.000 1.001 39 L CA -0.149 54.697 54.840 0.010 0.000 1.287 39 L CB -1.880 40.189 42.059 0.016 0.000 1.674 39 L HN 0.578 nan 8.230 nan 0.000 0.827 40 P HA 0.076 nan 4.420 nan 0.000 0.270 40 P C -0.136 177.171 177.300 0.012 0.000 1.223 40 P CA -0.226 62.881 63.100 0.011 0.000 0.785 40 P CB 0.530 32.243 31.700 0.021 0.000 0.923 41 D N 1.718 122.123 120.400 0.008 0.000 2.382 41 D HA 0.067 4.708 4.640 0.002 0.000 0.259 41 D C 0.088 176.396 176.300 0.014 0.000 1.224 41 D CA 0.154 54.159 54.000 0.008 0.000 0.894 41 D CB -0.067 40.733 40.800 0.001 0.000 1.127 41 D HN 0.143 nan 8.370 nan 0.000 0.487 42 L N 1.092 122.323 121.223 0.014 0.000 3.333 42 L HA 0.396 4.738 4.340 0.002 0.000 0.299 42 L C 1.330 178.206 176.870 0.010 0.000 1.256 42 L CA -0.438 54.414 54.840 0.020 0.000 1.037 42 L CB -0.108 41.968 42.059 0.028 0.000 1.423 42 L HN 0.099 nan 8.230 nan 0.000 0.605 43 S N 0.934 116.634 115.700 0.001 0.000 2.447 43 S HA -0.028 4.443 4.470 0.002 0.000 0.233 43 S C 0.275 174.872 174.600 -0.004 0.000 1.006 43 S CA 0.812 59.005 58.200 -0.011 0.000 0.957 43 S CB -0.809 62.382 63.200 -0.016 0.000 0.773 43 S HN 0.944 nan 8.310 nan 0.000 0.507 44 D N -1.125 119.283 120.400 0.013 0.000 10.639 44 D HA -0.210 4.431 4.640 0.002 0.000 0.356 44 D C -0.593 175.731 176.300 0.040 0.000 3.104 44 D CA 0.469 54.485 54.000 0.027 0.000 2.568 44 D CB -0.812 40.003 40.800 0.025 0.000 1.215 44 D HN 0.095 nan 8.370 nan 0.000 0.959 45 V N 1.637 121.593 119.914 0.070 0.000 2.432 45 V HA 0.555 4.676 4.120 0.002 0.000 0.271 45 V C 0.020 176.201 176.094 0.145 0.000 1.046 45 V CA 1.229 63.594 62.300 0.110 0.000 0.945 45 V CB 0.230 32.145 31.823 0.152 0.000 0.992 45 V HN 0.818 nan 8.190 nan 0.000 0.471 46 Q N 4.953 124.835 119.800 0.137 0.000 2.575 46 Q HA 0.731 5.072 4.340 0.002 0.000 0.290 46 Q C -2.260 173.825 176.000 0.140 0.000 0.963 46 Q CA -1.050 54.831 55.803 0.129 0.000 0.783 46 Q CB 2.466 31.256 28.738 0.088 0.000 1.467 46 Q HN 0.386 nan 8.270 nan 0.000 0.402 47 V N 1.980 121.967 119.914 0.122 0.000 2.443 47 V HA 0.411 4.532 4.120 0.002 0.000 0.293 47 V C -0.805 175.317 176.094 0.046 0.000 1.021 47 V CA -0.619 61.736 62.300 0.092 0.000 0.848 47 V CB 1.412 33.300 31.823 0.109 0.000 0.998 47 V HN 0.638 nan 8.190 nan 0.000 0.424 48 I N 5.877 126.466 120.570 0.032 0.000 2.428 48 I HA 0.396 4.567 4.170 0.002 0.000 0.289 48 I C 0.137 176.203 176.117 -0.085 0.000 1.019 48 I CA 0.181 61.440 61.300 -0.070 0.000 1.351 48 I CB 0.931 38.928 38.000 -0.005 0.000 1.412 48 I HN 0.402 nan 8.210 nan 0.000 0.513 49 I N 5.863 126.338 120.570 -0.159 0.000 2.698 49 I HA 0.232 4.403 4.170 0.002 0.000 0.276 49 I C -0.088 175.963 176.117 -0.110 0.000 1.166 49 I CA -0.745 60.492 61.300 -0.105 0.000 1.101 49 I CB 0.516 38.454 38.000 -0.104 0.000 1.305 49 I HN 0.580 nan 8.210 nan 0.000 0.526 50 K N 4.115 124.486 120.400 -0.048 0.000 2.350 50 K HA 0.386 4.707 4.320 0.002 0.000 0.279 50 K C -0.646 175.827 176.600 -0.211 0.000 1.027 50 K CA 0.317 56.520 56.287 -0.139 0.000 0.969 50 K CB 0.863 33.401 32.500 0.063 0.000 0.954 50 K HN 0.344 nan 8.250 nan 0.000 0.474 51 T N 2.579 116.932 114.554 -0.335 0.000 2.937 51 T HA 0.159 4.510 4.350 0.002 0.000 0.297 51 T C -1.115 173.438 174.700 -0.244 0.000 0.991 51 T CA -0.708 61.252 62.100 -0.234 0.000 0.990 51 T CB 1.518 70.275 68.868 -0.185 0.000 0.991 51 T HN 0.573 nan 8.240 nan 0.000 0.440 52 S N 2.329 117.927 115.700 -0.170 0.000 2.578 52 S HA 0.707 5.179 4.470 0.002 0.000 0.283 52 S C -1.531 173.034 174.600 -0.059 0.000 1.195 52 S CA -0.451 57.691 58.200 -0.097 0.000 1.050 52 S CB 0.513 63.685 63.200 -0.048 0.000 1.012 52 S HN 0.577 nan 8.310 nan 0.000 0.511 53 Y N 4.248 124.504 120.300 -0.074 0.000 2.354 53 Y HA 0.411 4.963 4.550 0.002 0.000 0.330 53 Y C -2.025 173.844 175.900 -0.052 0.000 1.011 53 Y CA -1.945 56.113 58.100 -0.070 0.000 1.099 53 Y CB 1.781 40.183 38.460 -0.098 0.000 1.179 53 Y HN 0.497 nan 8.280 nan 0.000 0.442 54 P HA -0.094 nan 4.420 nan 0.000 0.209 54 P C -0.010 177.339 177.300 0.083 0.000 1.167 54 P CA 1.992 65.170 63.100 0.130 0.000 0.941 54 P CB 0.240 32.011 31.700 0.118 0.000 0.787 55 G N -2.984 105.813 108.800 -0.004 0.000 2.574 55 G HA2 0.607 4.569 3.960 0.002 0.000 0.299 55 G HA3 0.607 4.569 3.960 0.002 0.000 0.299 55 G C -0.941 173.718 174.900 -0.402 0.000 1.298 55 G CA -0.221 44.781 45.100 -0.164 0.000 0.952 55 G HN -0.025 nan 8.290 nan 0.000 0.477 56 Q N -1.234 118.123 119.800 -0.738 0.000 2.142 56 Q HA 0.671 5.012 4.340 0.002 0.000 0.427 56 Q C -0.981 174.574 176.000 -0.741 0.000 0.451 56 Q CA 0.361 55.744 55.803 -0.699 0.000 1.062 56 Q CB 0.823 29.099 28.738 -0.770 0.000 0.747 56 Q HN 1.680 nan 8.270 nan 0.000 0.365 57 A N -0.072 122.426 122.820 -0.536 0.000 2.590 57 A HA 0.575 4.896 4.320 0.002 0.000 0.296 57 A C -2.520 174.986 177.584 -0.130 0.000 1.050 57 A CA -0.706 51.167 52.037 -0.275 0.000 0.697 57 A CB 0.822 19.668 19.000 -0.257 0.000 1.277 57 A HN 0.280 nan 8.150 nan 0.000 0.411 58 P HA -0.169 nan 4.420 nan 0.000 0.220 58 P C 1.192 178.497 177.300 0.008 0.000 1.144 58 P CA 1.575 64.714 63.100 0.065 0.000 0.800 58 P CB 0.342 32.139 31.700 0.161 0.000 0.772 59 Q N -0.969 118.815 119.800 -0.027 0.000 2.061 59 Q HA -0.004 4.337 4.340 0.002 0.000 0.195 59 Q C 1.908 177.889 176.000 -0.032 0.000 0.967 59 Q CA 0.836 56.624 55.803 -0.025 0.000 0.829 59 Q CB -0.447 28.262 28.738 -0.049 0.000 0.900 59 Q HN 0.241 nan 8.270 nan 0.000 0.450 60 I N -1.323 119.188 120.570 -0.099 0.000 3.684 60 I HA 0.022 4.193 4.170 0.002 0.000 0.304 60 I C 1.147 177.188 176.117 -0.126 0.000 1.278 60 I CA 0.675 61.913 61.300 -0.103 0.000 1.272 60 I CB -0.257 37.643 38.000 -0.167 0.000 1.029 60 I HN -0.043 nan 8.210 nan 0.000 0.458 61 V N 1.172 121.009 119.914 -0.128 0.000 2.951 61 V HA -0.028 4.093 4.120 0.002 0.000 0.255 61 V C 2.394 178.501 176.094 0.022 0.000 1.088 61 V CA 1.337 63.608 62.300 -0.048 0.000 1.109 61 V CB -0.278 31.504 31.823 -0.067 0.000 0.724 61 V HN 0.459 nan 8.190 nan 0.000 0.471 62 E N 0.260 120.447 120.200 -0.021 0.000 2.052 62 E HA -0.094 4.258 4.350 0.002 0.000 0.192 62 E C 1.952 178.574 176.600 0.037 0.000 0.958 62 E CA 0.329 56.676 56.400 -0.089 0.000 0.835 62 E CB 0.032 29.590 29.700 -0.238 0.000 0.811 62 E HN 0.445 nan 8.360 nan 0.000 0.462 63 N N 0.907 119.714 118.700 0.178 0.000 2.144 63 N HA -0.224 4.518 4.740 0.002 0.000 0.195 63 N C 1.737 177.395 175.510 0.247 0.000 1.006 63 N CA 1.347 54.639 53.050 0.403 0.000 0.880 63 N CB -0.118 38.496 38.487 0.212 0.000 1.018 63 N HN 0.307 nan 8.380 nan 0.000 0.443 64 Q N -0.396 119.502 119.800 0.164 0.000 2.178 64 Q HA 0.038 4.379 4.340 0.002 0.000 0.195 64 Q C 2.128 178.217 176.000 0.149 0.000 0.960 64 Q CA 0.821 56.721 55.803 0.162 0.000 0.843 64 Q CB -0.046 28.830 28.738 0.230 0.000 0.927 64 Q HN 0.358 nan 8.270 nan 0.000 0.487 65 V N -0.949 119.051 119.914 0.143 0.000 3.013 65 V HA 0.026 4.147 4.120 0.002 0.000 0.238 65 V C 2.014 178.130 176.094 0.036 0.000 1.161 65 V CA 1.792 64.131 62.300 0.064 0.000 1.170 65 V CB 0.365 32.201 31.823 0.020 0.000 0.917 65 V HN 0.364 nan 8.190 nan 0.000 0.478 66 T N -1.791 112.776 114.554 0.023 0.000 3.043 66 T HA -0.058 4.294 4.350 0.002 0.000 0.263 66 T C 1.731 176.439 174.700 0.014 0.000 1.094 66 T CA 1.226 63.315 62.100 -0.018 0.000 1.127 66 T CB -0.459 68.371 68.868 -0.064 0.000 0.905 66 T HN 0.540 nan 8.240 nan 0.000 0.490 67 Y N 2.318 122.629 120.300 0.018 0.000 2.224 67 Y HA 0.148 4.699 4.550 0.002 0.000 0.289 67 Y C -0.697 175.206 175.900 0.005 0.000 1.146 67 Y CA 0.526 58.635 58.100 0.015 0.000 1.182 67 Y CB -1.117 37.352 38.460 0.016 0.000 0.983 67 Y HN 0.404 nan 8.280 nan 0.000 0.524 68 P HA -0.065 nan 4.420 nan 0.000 0.227 68 P C 1.590 178.923 177.300 0.054 0.000 1.161 68 P CA 0.849 64.001 63.100 0.086 0.000 0.788 68 P CB 0.173 31.908 31.700 0.059 0.000 0.822 69 L N -0.126 121.121 121.223 0.041 0.000 2.102 69 L HA -0.040 4.301 4.340 0.002 0.000 0.202 69 L C 2.351 179.224 176.870 0.005 0.000 1.076 69 L CA 2.226 57.072 54.840 0.009 0.000 0.761 69 L CB -1.716 40.331 42.059 -0.019 0.000 0.921 69 L HN 0.024 nan 8.230 nan 0.000 0.444 70 T N -4.980 109.582 114.554 0.013 0.000 2.746 70 T HA -0.167 4.184 4.350 0.002 0.000 0.267 70 T C 1.740 176.448 174.700 0.013 0.000 1.039 70 T CA 1.866 63.971 62.100 0.008 0.000 1.142 70 T CB -0.918 67.962 68.868 0.020 0.000 0.866 70 T HN 0.269 nan 8.240 nan 0.000 0.444 71 T N 1.698 116.279 114.554 0.044 0.000 2.904 71 T HA -0.024 4.328 4.350 0.002 0.000 0.267 71 T C 2.147 176.833 174.700 -0.024 0.000 1.059 71 T CA 1.593 63.709 62.100 0.026 0.000 1.137 71 T CB -0.711 68.191 68.868 0.056 0.000 0.879 71 T HN 0.495 nan 8.240 nan 0.000 0.467 72 T N 2.097 116.640 114.554 -0.019 0.000 2.951 72 T HA 0.093 4.444 4.350 0.002 0.000 0.268 72 T C 1.747 176.364 174.700 -0.139 0.000 1.073 72 T CA 0.668 62.739 62.100 -0.049 0.000 1.134 72 T CB -0.131 68.754 68.868 0.027 0.000 0.884 72 T HN 0.198 nan 8.240 nan 0.000 0.479 73 M N 0.795 120.340 119.600 -0.092 0.000 2.558 73 M HA 0.240 4.721 4.480 0.002 0.000 0.255 73 M C 1.810 178.018 176.300 -0.153 0.000 1.113 73 M CA 0.535 55.768 55.300 -0.110 0.000 1.097 73 M CB -0.932 31.633 32.600 -0.057 0.000 1.426 73 M HN 0.287 nan 8.290 nan 0.000 0.488 74 L N -1.113 120.026 121.223 -0.141 0.000 2.191 74 L HA -0.164 4.178 4.340 0.002 0.000 0.212 74 L C 2.378 179.150 176.870 -0.163 0.000 1.103 74 L CA 1.021 55.788 54.840 -0.121 0.000 0.769 74 L CB -0.659 41.350 42.059 -0.083 0.000 0.908 74 L HN 0.269 nan 8.230 nan 0.000 0.438 75 S N -1.004 114.519 115.700 -0.294 0.000 2.548 75 S HA 0.046 4.517 4.470 0.002 0.000 0.215 75 S C 0.773 175.139 174.600 -0.391 0.000 0.976 75 S CA -0.338 57.652 58.200 -0.350 0.000 0.908 75 S CB 0.119 63.046 63.200 -0.455 0.000 0.781 75 S HN 0.056 nan 8.310 nan 0.000 0.519 76 V N 3.888 123.576 119.914 -0.376 0.000 2.673 76 V HA 0.198 4.319 4.120 0.002 0.000 0.303 76 V C -2.297 173.867 176.094 0.117 0.000 1.046 76 V CA -1.723 60.564 62.300 -0.022 0.000 1.126 76 V CB 0.674 32.566 31.823 0.116 0.000 0.934 76 V HN 0.286 nan 8.190 nan 0.000 0.487 77 P HA 0.237 nan 4.420 nan 0.000 0.261 77 P C 0.651 178.120 177.300 0.282 0.000 1.203 77 P CA 1.350 64.573 63.100 0.205 0.000 0.767 77 P CB 0.333 32.152 31.700 0.198 0.000 0.785 78 G N 2.669 111.649 108.800 0.300 0.000 2.176 78 G HA2 -0.163 3.798 3.960 0.002 0.000 0.232 78 G HA3 -0.163 3.798 3.960 0.002 0.000 0.232 78 G C 0.404 175.605 174.900 0.502 0.000 0.986 78 G CA -0.144 45.217 45.100 0.436 0.000 0.643 78 G HN 0.821 nan 8.290 nan 0.000 0.522 79 A N 0.327 123.294 122.820 0.245 0.000 2.524 79 A HA 0.618 4.939 4.320 0.002 0.000 0.250 79 A C 1.203 178.739 177.584 -0.080 0.000 1.078 79 A CA 1.534 53.507 52.037 -0.106 0.000 0.761 79 A CB 0.467 19.387 19.000 -0.133 0.000 1.012 79 A HN 0.533 nan 8.150 nan 0.000 0.500 80 K N 1.332 121.633 120.400 -0.165 0.000 2.017 80 K HA 0.027 4.349 4.320 0.002 0.000 0.207 80 K C 0.648 177.189 176.600 -0.099 0.000 1.035 80 K CA 1.578 57.818 56.287 -0.079 0.000 0.947 80 K CB 0.084 32.552 32.500 -0.053 0.000 0.749 80 K HN 0.830 nan 8.250 nan 0.000 0.443 81 T N -1.558 112.917 114.554 -0.131 0.000 2.886 81 T HA 0.433 4.784 4.350 0.002 0.000 0.292 81 T C -0.719 173.918 174.700 -0.104 0.000 1.012 81 T CA -0.976 61.063 62.100 -0.102 0.000 0.982 81 T CB 1.971 70.787 68.868 -0.087 0.000 1.018 81 T HN -0.135 nan 8.240 nan 0.000 0.451 82 V N 4.693 124.565 119.914 -0.071 0.000 2.204 82 V HA 0.387 4.509 4.120 0.002 0.000 0.264 82 V C 0.410 176.508 176.094 0.007 0.000 1.106 82 V CA -0.818 61.450 62.300 -0.054 0.000 0.947 82 V CB -0.489 31.296 31.823 -0.063 0.000 1.164 82 V HN 0.906 nan 8.190 nan 0.000 0.461 83 R N 2.024 122.550 120.500 0.042 0.000 2.343 83 R HA 0.815 5.157 4.340 0.002 0.000 0.320 83 R C -0.024 176.317 176.300 0.068 0.000 0.956 83 R CA -0.507 55.672 56.100 0.131 0.000 0.836 83 R CB 1.893 32.354 30.300 0.270 0.000 1.151 83 R HN 0.464 nan 8.270 nan 0.000 0.450 84 G N 2.936 111.777 108.800 0.067 0.000 2.482 84 G HA2 0.541 4.502 3.960 0.002 0.000 0.317 84 G HA3 0.541 4.502 3.960 0.002 0.000 0.317 84 G C -1.098 173.908 174.900 0.177 0.000 1.241 84 G CA -0.984 44.104 45.100 -0.019 0.000 0.967 84 G HN 0.514 nan 8.290 nan 0.000 0.482 85 F N 2.199 122.231 119.950 0.136 0.000 2.371 85 F HA 0.351 4.880 4.527 0.002 0.000 0.363 85 F C 1.054 176.896 175.800 0.070 0.000 1.122 85 F CA -0.953 57.108 58.000 0.101 0.000 1.129 85 F CB 1.634 40.730 39.000 0.159 0.000 1.173 85 F HN 0.434 nan 8.300 nan 0.000 0.489 86 S N 3.938 119.755 115.700 0.195 0.000 2.578 86 S HA 0.717 5.189 4.470 0.002 0.000 0.283 86 S C -0.725 173.934 174.600 0.100 0.000 1.195 86 S CA -0.659 57.595 58.200 0.091 0.000 1.050 86 S CB 2.082 65.279 63.200 -0.006 0.000 1.012 86 S HN 0.768 nan 8.310 nan 0.000 0.511 87 Q N 1.265 121.125 119.800 0.100 0.000 2.738 87 Q HA 0.397 4.738 4.340 0.002 0.000 0.301 87 Q C -1.289 174.803 176.000 0.153 0.000 0.901 87 Q CA -1.148 54.735 55.803 0.133 0.000 0.756 87 Q CB 0.545 29.385 28.738 0.169 0.000 1.463 87 Q HN 0.618 nan 8.270 nan 0.000 0.432 88 F N 1.648 121.622 119.950 0.041 0.000 2.477 88 F HA 0.189 4.717 4.527 0.002 0.000 0.392 88 F C 1.344 177.162 175.800 0.030 0.000 1.028 88 F CA 2.272 60.291 58.000 0.032 0.000 1.069 88 F CB -0.233 38.792 39.000 0.043 0.000 0.970 88 F HN 0.932 nan 8.300 nan 0.000 0.540 89 G N 3.376 112.088 108.800 -0.146 0.000 2.253 89 G HA2 -0.300 3.661 3.960 0.002 0.000 0.251 89 G HA3 -0.300 3.661 3.960 0.002 0.000 0.251 89 G C -0.475 174.472 174.900 0.077 0.000 0.998 89 G CA 0.353 45.431 45.100 -0.036 0.000 0.621 89 G HN 0.665 nan 8.290 nan 0.000 0.524 90 D N -1.012 119.430 120.400 0.069 0.000 2.645 90 D HA 0.651 5.293 4.640 0.002 0.000 0.228 90 D C -0.567 175.675 176.300 -0.095 0.000 1.148 90 D CA 0.312 54.282 54.000 -0.051 0.000 0.860 90 D CB 1.852 42.608 40.800 -0.074 0.000 1.548 90 D HN 0.293 nan 8.370 nan 0.000 0.460 91 S N 1.366 116.905 115.700 -0.269 0.000 2.664 91 S HA 0.400 4.871 4.470 0.002 0.000 0.262 91 S C -1.727 172.675 174.600 -0.331 0.000 1.229 91 S CA -0.597 57.490 58.200 -0.188 0.000 1.151 91 S CB -0.208 62.929 63.200 -0.104 0.000 1.054 91 S HN 0.352 nan 8.310 nan 0.000 0.483 92 Y N 3.097 123.365 120.300 -0.053 0.000 2.353 92 Y HA 0.542 5.094 4.550 0.002 0.000 0.340 92 Y C 0.058 175.729 175.900 -0.382 0.000 0.972 92 Y CA -0.792 57.174 58.100 -0.223 0.000 1.157 92 Y CB 1.555 39.903 38.460 -0.187 0.000 1.157 92 Y HN 0.354 nan 8.280 nan 0.000 0.495 93 V N 5.256 124.976 119.914 -0.323 0.000 2.378 93 V HA 0.302 4.423 4.120 0.002 0.000 0.288 93 V C -0.900 174.936 176.094 -0.429 0.000 1.016 93 V CA -1.208 60.908 62.300 -0.306 0.000 0.840 93 V CB 0.543 32.273 31.823 -0.155 0.000 0.994 93 V HN 0.552 nan 8.190 nan 0.000 0.431 94 Y N 3.281 123.482 120.300 -0.165 0.000 2.323 94 Y HA 0.619 5.171 4.550 0.002 0.000 0.331 94 Y C 0.186 175.996 175.900 -0.151 0.000 1.092 94 Y CA -0.848 57.159 58.100 -0.155 0.000 1.150 94 Y CB 1.773 40.107 38.460 -0.210 0.000 1.200 94 Y HN 0.338 nan 8.280 nan 0.000 0.472 95 V N 5.478 125.383 119.914 -0.016 0.000 2.378 95 V HA 0.337 4.458 4.120 0.002 0.000 0.288 95 V C -0.342 175.601 176.094 -0.251 0.000 1.016 95 V CA -0.812 61.376 62.300 -0.187 0.000 0.840 95 V CB 1.001 32.669 31.823 -0.259 0.000 0.994 95 V HN 0.508 nan 8.190 nan 0.000 0.431 96 I N 4.590 124.988 120.570 -0.286 0.000 2.353 96 I HA 0.523 4.694 4.170 0.002 0.000 0.293 96 I C -0.339 175.564 176.117 -0.357 0.000 0.992 96 I CA -0.242 60.933 61.300 -0.208 0.000 1.268 96 I CB 0.756 38.694 38.000 -0.103 0.000 1.387 96 I HN 0.362 nan 8.210 nan 0.000 0.478 97 F N 2.475 122.448 119.950 0.039 0.000 2.541 97 F HA 0.372 4.900 4.527 0.002 0.000 0.331 97 F C 1.060 176.892 175.800 0.053 0.000 1.057 97 F CA -0.876 57.160 58.000 0.060 0.000 0.975 97 F CB 1.144 40.202 39.000 0.096 0.000 1.246 97 F HN 0.418 nan 8.300 nan 0.000 0.484 98 E N 0.891 121.264 120.200 0.287 0.000 2.413 98 E HA -0.022 4.329 4.350 0.002 0.000 0.263 98 E C -1.020 175.667 176.600 0.144 0.000 1.015 98 E CA -0.174 56.324 56.400 0.162 0.000 0.916 98 E CB 0.340 30.120 29.700 0.134 0.000 0.947 98 E HN 0.414 nan 8.360 nan 0.000 0.440 99 D N 0.957 121.416 120.400 0.097 0.000 2.548 99 D HA 0.095 4.737 4.640 0.002 0.000 0.231 99 D C 0.613 176.953 176.300 0.066 0.000 1.142 99 D CA 1.659 55.707 54.000 0.079 0.000 0.866 99 D CB 0.333 41.172 40.800 0.064 0.000 1.190 99 D HN 0.662 nan 8.370 nan 0.000 0.469 100 G N 1.551 110.381 108.800 0.050 0.000 2.368 100 G HA2 -0.127 3.834 3.960 0.002 0.000 0.290 100 G HA3 -0.127 3.834 3.960 0.002 0.000 0.290 100 G C -0.002 174.905 174.900 0.012 0.000 1.098 100 G CA 0.162 45.275 45.100 0.022 0.000 1.073 100 G HN 0.763 nan 8.290 nan 0.000 0.511 101 T N -1.898 112.676 114.554 0.032 0.000 2.841 101 T HA 0.520 4.872 4.350 0.002 0.000 0.285 101 T C -0.202 174.530 174.700 0.053 0.000 0.991 101 T CA -0.292 61.819 62.100 0.018 0.000 0.966 101 T CB 2.236 71.159 68.868 0.092 0.000 0.962 101 T HN 0.373 nan 8.240 nan 0.000 0.438 102 D N 5.337 125.742 120.400 0.008 0.000 2.659 102 D HA 0.006 4.647 4.640 0.002 0.000 0.264 102 D C -0.658 175.753 176.300 0.185 0.000 1.329 102 D CA -1.501 52.550 54.000 0.084 0.000 0.963 102 D CB 0.727 41.567 40.800 0.067 0.000 1.136 102 D HN 0.260 nan 8.370 nan 0.000 0.554 103 P HA -0.258 nan 4.420 nan 0.000 0.215 103 P C 1.188 178.429 177.300 -0.099 0.000 1.163 103 P CA 1.557 64.603 63.100 -0.091 0.000 0.894 103 P CB -0.169 31.364 31.700 -0.279 0.000 0.791 104 Y N -0.790 119.546 120.300 0.060 0.000 2.114 104 Y HA -0.229 4.322 4.550 0.002 0.000 0.282 104 Y C 2.941 178.861 175.900 0.034 0.000 1.165 104 Y CA 1.346 59.467 58.100 0.036 0.000 1.148 104 Y CB -1.247 37.234 38.460 0.035 0.000 0.972 104 Y HN 0.107 nan 8.280 nan 0.000 0.504 105 W N 1.488 122.823 121.300 0.058 0.000 2.317 105 W HA -0.325 4.337 4.660 0.002 0.000 0.318 105 W C 2.140 178.586 176.519 -0.122 0.000 1.227 105 W CA 1.871 59.194 57.345 -0.035 0.000 1.269 105 W CB -0.943 28.474 29.460 -0.073 0.000 1.155 105 W HN 0.087 nan 8.180 nan 0.000 0.484 106 A N 1.808 124.267 122.820 -0.602 0.000 1.933 106 A HA -0.245 4.077 4.320 0.002 0.000 0.218 106 A C 2.287 179.594 177.584 -0.461 0.000 1.175 106 A CA 2.334 53.787 52.037 -0.974 0.000 0.628 106 A CB -1.099 17.534 19.000 -0.611 0.000 0.814 106 A HN 0.536 nan 8.150 nan 0.000 0.444 107 R N -0.651 119.733 120.500 -0.193 0.000 2.115 107 R HA -0.072 4.269 4.340 0.002 0.000 0.230 107 R C 2.239 178.481 176.300 -0.097 0.000 1.111 107 R CA 1.796 57.859 56.100 -0.061 0.000 0.976 107 R CB -0.451 29.852 30.300 0.004 0.000 0.870 107 R HN 0.412 nan 8.270 nan 0.000 0.445 108 S N 0.204 115.807 115.700 -0.162 0.000 2.355 108 S HA -0.059 4.413 4.470 0.002 0.000 0.222 108 S C 1.980 176.438 174.600 -0.238 0.000 1.031 108 S CA 0.733 58.839 58.200 -0.157 0.000 0.993 108 S CB -0.111 63.019 63.200 -0.116 0.000 0.859 108 S HN 0.355 nan 8.310 nan 0.000 0.453 109 R N 0.919 121.140 120.500 -0.464 0.000 2.083 109 R HA -0.026 4.315 4.340 0.002 0.000 0.237 109 R C 2.322 178.557 176.300 -0.108 0.000 1.137 109 R CA 1.308 57.166 56.100 -0.403 0.000 0.951 109 R CB -1.647 28.210 30.300 -0.739 0.000 0.851 109 R HN 0.421 nan 8.270 nan 0.000 0.434 110 V N 1.946 121.841 119.914 -0.032 0.000 2.324 110 V HA -0.252 3.869 4.120 0.002 0.000 0.250 110 V C 2.495 178.617 176.094 0.046 0.000 1.060 110 V CA 1.838 64.184 62.300 0.078 0.000 1.042 110 V CB -0.643 31.234 31.823 0.090 0.000 0.650 110 V HN 0.249 nan 8.190 nan 0.000 0.450 111 L N -0.251 120.962 121.223 -0.017 0.000 2.131 111 L HA -0.193 4.148 4.340 0.002 0.000 0.210 111 L C 2.443 179.276 176.870 -0.062 0.000 1.092 111 L CA 1.619 56.440 54.840 -0.030 0.000 0.759 111 L CB -0.266 41.766 42.059 -0.046 0.000 0.903 111 L HN 0.295 nan 8.230 nan 0.000 0.435 112 E N -0.304 119.827 120.200 -0.116 0.000 2.149 112 E HA -0.303 4.048 4.350 0.002 0.000 0.215 112 E C 1.496 177.858 176.600 -0.396 0.000 1.055 112 E CA 2.689 58.906 56.400 -0.306 0.000 0.870 112 E CB -0.321 29.113 29.700 -0.444 0.000 0.764 112 E HN 0.688 nan 8.360 nan 0.000 0.463 113 Y N -1.349 118.937 120.300 -0.024 0.000 2.457 113 Y HA 0.189 4.741 4.550 0.002 0.000 0.263 113 Y C 1.494 177.381 175.900 -0.021 0.000 1.164 113 Y CA -0.259 57.830 58.100 -0.018 0.000 1.274 113 Y CB 0.252 38.704 38.460 -0.012 0.000 1.097 113 Y HN 0.027 nan 8.280 nan 0.000 0.523 114 L N 1.211 122.478 121.223 0.073 0.000 2.275 114 L HA -0.187 4.154 4.340 0.002 0.000 0.215 114 L C 1.953 178.827 176.870 0.006 0.000 1.119 114 L CA 1.799 56.657 54.840 0.031 0.000 0.790 114 L CB -0.374 41.689 42.059 0.007 0.000 0.919 114 L HN 0.385 nan 8.230 nan 0.000 0.443 115 N N -1.952 116.740 118.700 -0.014 0.000 2.333 115 N HA -0.191 4.550 4.740 0.002 0.000 0.178 115 N C 1.672 177.176 175.510 -0.010 0.000 1.018 115 N CA 0.808 53.843 53.050 -0.025 0.000 0.882 115 N CB -0.357 38.101 38.487 -0.048 0.000 0.984 115 N HN 0.263 nan 8.380 nan 0.000 0.434 116 Q N -0.486 119.319 119.800 0.009 0.000 2.500 116 Q HA 0.148 4.490 4.340 0.002 0.000 0.213 116 Q C 1.213 177.232 176.000 0.032 0.000 0.974 116 Q CA 0.415 56.236 55.803 0.030 0.000 0.918 116 Q CB 0.242 29.028 28.738 0.080 0.000 0.980 116 Q HN 0.298 nan 8.270 nan 0.000 0.505 117 V N -0.784 119.146 119.914 0.025 0.000 3.379 117 V HA -0.082 4.039 4.120 0.002 0.000 0.249 117 V C 1.649 177.741 176.094 -0.004 0.000 1.184 117 V CA 0.403 62.713 62.300 0.016 0.000 1.106 117 V CB 0.249 32.085 31.823 0.021 0.000 0.826 117 V HN 0.263 nan 8.190 nan 0.000 0.465 118 Q N 0.537 120.330 119.800 -0.012 0.000 2.173 118 Q HA -0.211 4.130 4.340 0.002 0.000 0.208 118 Q C 2.164 178.148 176.000 -0.027 0.000 0.989 118 Q CA 2.065 57.852 55.803 -0.026 0.000 0.872 118 Q CB -0.692 28.029 28.738 -0.027 0.000 0.909 118 Q HN 0.660 nan 8.270 nan 0.000 0.420 119 G N 0.523 109.312 108.800 -0.018 0.000 2.623 119 G HA2 -0.145 3.816 3.960 0.002 0.000 0.214 119 G HA3 -0.145 3.816 3.960 0.002 0.000 0.214 119 G C 1.332 176.223 174.900 -0.014 0.000 1.138 119 G CA 0.080 45.170 45.100 -0.017 0.000 0.794 119 G HN 0.290 nan 8.290 nan 0.000 0.535 120 K N -0.386 120.009 120.400 -0.010 0.000 2.365 120 K HA 0.155 4.476 4.320 0.002 0.000 0.197 120 K C 0.554 177.150 176.600 -0.006 0.000 1.042 120 K CA -0.016 56.269 56.287 -0.003 0.000 0.987 120 K CB -0.011 32.493 32.500 0.006 0.000 0.779 120 K HN 0.363 nan 8.250 nan 0.000 0.484 121 L N -1.109 120.101 121.223 -0.022 0.000 2.416 121 L HA 0.498 4.839 4.340 0.002 0.000 0.263 121 L C -2.480 174.352 176.870 -0.064 0.000 1.065 121 L CA -2.581 52.235 54.840 -0.040 0.000 0.798 121 L CB -0.985 41.034 42.059 -0.066 0.000 1.267 121 L HN -0.266 nan 8.230 nan 0.000 0.467 122 P HA 0.198 nan 4.420 nan 0.000 0.281 122 P C -1.032 176.213 177.300 -0.093 0.000 1.274 122 P CA -0.202 62.841 63.100 -0.095 0.000 0.794 122 P CB 0.004 31.589 31.700 -0.192 0.000 1.201 123 A N -0.556 122.223 122.820 -0.068 0.000 2.331 123 A HA 0.518 4.839 4.320 0.002 0.000 0.283 123 A C 1.392 178.933 177.584 -0.072 0.000 1.142 123 A CA 0.349 52.354 52.037 -0.054 0.000 0.812 123 A CB -0.688 18.296 19.000 -0.027 0.000 1.074 123 A HN 0.786 nan 8.150 nan 0.000 0.497 124 G N 1.143 109.907 108.800 -0.060 0.000 2.674 124 G HA2 -0.271 3.690 3.960 0.002 0.000 0.236 124 G HA3 -0.271 3.690 3.960 0.002 0.000 0.236 124 G C 0.616 175.459 174.900 -0.095 0.000 1.178 124 G CA 0.400 45.466 45.100 -0.058 0.000 0.721 124 G HN 1.531 nan 8.290 nan 0.000 0.515 125 V N 1.744 121.560 119.914 -0.162 0.000 2.557 125 V HA 0.439 4.560 4.120 0.002 0.000 0.301 125 V C 0.772 176.761 176.094 -0.174 0.000 1.026 125 V CA 1.319 63.474 62.300 -0.242 0.000 1.137 125 V CB 1.234 32.772 31.823 -0.475 0.000 0.917 125 V HN 0.947 nan 8.190 nan 0.000 0.484 126 S N 4.328 119.942 115.700 -0.144 0.000 2.570 126 S HA 0.814 5.286 4.470 0.002 0.000 0.286 126 S C -0.375 174.165 174.600 -0.101 0.000 1.099 126 S CA -0.180 57.959 58.200 -0.102 0.000 0.913 126 S CB 1.831 64.990 63.200 -0.070 0.000 1.085 126 S HN 1.154 nan 8.310 nan 0.000 0.480 127 A N 2.827 125.599 122.820 -0.081 0.000 2.328 127 A HA 0.611 4.932 4.320 0.002 0.000 0.284 127 A C -0.226 177.323 177.584 -0.059 0.000 1.160 127 A CA -0.391 51.600 52.037 -0.076 0.000 0.818 127 A CB 0.234 19.197 19.000 -0.061 0.000 1.087 127 A HN 0.837 nan 8.150 nan 0.000 0.504 128 E N 1.612 121.776 120.200 -0.060 0.000 2.158 128 E HA 0.341 4.692 4.350 0.002 0.000 0.271 128 E C -1.220 175.363 176.600 -0.027 0.000 0.911 128 E CA -0.841 55.537 56.400 -0.037 0.000 0.767 128 E CB 1.891 31.574 29.700 -0.028 0.000 1.120 128 E HN 0.552 nan 8.360 nan 0.000 0.405 129 L N 2.660 123.873 121.223 -0.017 0.000 2.426 129 L HA 0.225 4.566 4.340 0.002 0.000 0.271 129 L C 0.988 177.862 176.870 0.005 0.000 1.169 129 L CA 0.664 55.500 54.840 -0.007 0.000 0.836 129 L CB 0.772 42.830 42.059 -0.001 0.000 1.112 129 L HN 0.671 nan 8.230 nan 0.000 0.465 130 G N 4.441 113.249 108.800 0.013 0.000 2.680 130 G HA2 0.164 4.125 3.960 0.002 0.000 0.274 130 G HA3 0.164 4.125 3.960 0.002 0.000 0.274 130 G C -2.028 172.888 174.900 0.027 0.000 1.292 130 G CA -0.215 44.903 45.100 0.030 0.000 1.007 130 G HN 0.655 nan 8.290 nan 0.000 0.578 131 P HA 0.129 nan 4.420 nan 0.000 0.196 131 P C 0.491 177.805 177.300 0.024 0.000 1.065 131 P CA 1.194 64.305 63.100 0.018 0.000 0.803 131 P CB 0.491 32.198 31.700 0.013 0.000 0.673 132 D N -3.900 116.513 120.400 0.022 0.000 2.456 132 D HA 0.151 4.792 4.640 0.002 0.000 0.530 132 D C -0.453 175.845 176.300 -0.003 0.000 1.034 132 D CA -0.011 53.999 54.000 0.017 0.000 1.092 132 D CB -0.402 40.436 40.800 0.063 0.000 1.552 132 D HN 0.170 nan 8.370 nan 0.000 0.388 133 A N 0.107 122.937 122.820 0.016 0.000 2.281 133 A HA 0.682 5.003 4.320 0.002 0.000 0.329 133 A C 0.591 178.205 177.584 0.050 0.000 1.122 133 A CA 0.011 52.064 52.037 0.027 0.000 0.850 133 A CB 1.394 20.415 19.000 0.035 0.000 1.207 133 A HN 0.032 nan 8.150 nan 0.000 0.495 134 T N -0.658 113.925 114.554 0.050 0.000 2.865 134 T HA 0.414 4.765 4.350 0.002 0.000 0.302 134 T C 1.504 176.258 174.700 0.090 0.000 1.078 134 T CA 0.503 62.635 62.100 0.052 0.000 0.942 134 T CB 0.386 69.269 68.868 0.025 0.000 1.387 134 T HN 0.977 nan 8.240 nan 0.000 0.557 135 G N -0.109 108.716 108.800 0.041 0.000 2.679 135 G HA2 0.000 3.962 3.960 0.002 0.000 0.212 135 G HA3 0.000 3.962 3.960 0.002 0.000 0.212 135 G C 1.314 176.216 174.900 0.003 0.000 1.137 135 G CA 0.600 45.694 45.100 -0.010 0.000 0.787 135 G HN 0.538 nan 8.290 nan 0.000 0.534 136 V N 0.974 120.917 119.914 0.048 0.000 2.951 136 V HA 0.058 4.179 4.120 0.002 0.000 0.255 136 V C 2.912 179.076 176.094 0.117 0.000 1.088 136 V CA 1.286 63.621 62.300 0.058 0.000 1.109 136 V CB -0.253 31.593 31.823 0.040 0.000 0.724 136 V HN 0.379 nan 8.190 nan 0.000 0.471 137 G N -0.951 107.945 108.800 0.160 0.000 2.564 137 G HA2 -0.219 3.742 3.960 0.002 0.000 0.216 137 G HA3 -0.219 3.742 3.960 0.002 0.000 0.216 137 G C 0.206 175.196 174.900 0.150 0.000 1.124 137 G CA -0.244 44.939 45.100 0.138 0.000 0.764 137 G HN 0.570 nan 8.290 nan 0.000 0.550 138 W N 0.892 122.127 121.300 -0.109 0.000 2.510 138 W HA 0.480 5.141 4.660 0.002 0.000 0.388 138 W C 1.099 177.458 176.519 -0.267 0.000 1.092 138 W CA -1.034 56.197 57.345 -0.191 0.000 1.562 138 W CB -0.223 29.095 29.460 -0.237 0.000 1.603 138 W HN -0.017 nan 8.180 nan 0.000 0.396 139 I N 1.509 122.050 120.570 -0.049 0.000 2.405 139 I HA -0.062 4.109 4.170 0.002 0.000 0.236 139 I C 0.048 176.176 176.117 0.018 0.000 1.071 139 I CA 0.467 61.773 61.300 0.010 0.000 1.398 139 I CB -0.194 37.850 38.000 0.072 0.000 1.162 139 I HN -0.015 nan 8.210 nan 0.000 0.432 140 Y N 2.173 122.427 120.300 -0.076 0.000 2.341 140 Y HA 0.393 4.944 4.550 0.002 0.000 0.338 140 Y C -0.658 175.229 175.900 -0.021 0.000 0.965 140 Y CA -0.861 57.260 58.100 0.035 0.000 1.108 140 Y CB 0.986 39.492 38.460 0.077 0.000 1.180 140 Y HN 0.097 nan 8.280 nan 0.000 0.458 141 E N 6.062 126.015 120.200 -0.411 0.000 2.222 141 E HA 0.298 4.649 4.350 0.002 0.000 0.267 141 E C -1.895 174.455 176.600 -0.417 0.000 0.884 141 E CA -1.030 55.137 56.400 -0.388 0.000 0.764 141 E CB 2.383 31.866 29.700 -0.361 0.000 1.169 141 E HN 0.579 nan 8.360 nan 0.000 0.413 142 Y N -0.275 119.840 120.300 -0.308 0.000 2.457 142 Y HA 0.751 5.303 4.550 0.002 0.000 0.343 142 Y C -1.109 174.825 175.900 0.057 0.000 0.994 142 Y CA -1.226 56.793 58.100 -0.136 0.000 1.031 142 Y CB 0.990 39.430 38.460 -0.033 0.000 1.246 142 Y HN 0.509 nan 8.280 nan 0.000 0.449 143 A N 4.268 127.260 122.820 0.287 0.000 2.293 143 A HA 0.673 4.994 4.320 0.002 0.000 0.302 143 A C -1.272 176.482 177.584 0.284 0.000 1.119 143 A CA -0.781 51.443 52.037 0.311 0.000 0.823 143 A CB 1.119 20.324 19.000 0.341 0.000 1.097 143 A HN 0.824 nan 8.150 nan 0.000 0.491 144 L N 3.646 124.987 121.223 0.197 0.000 2.387 144 L HA 0.440 4.782 4.340 0.002 0.000 0.259 144 L C -0.130 176.801 176.870 0.102 0.000 1.050 144 L CA -0.138 54.812 54.840 0.184 0.000 0.922 144 L CB 0.198 42.370 42.059 0.188 0.000 1.280 144 L HN 0.684 nan 8.230 nan 0.000 0.449 145 V N 1.293 121.259 119.914 0.086 0.000 3.093 145 V HA 0.807 4.928 4.120 0.002 0.000 0.320 145 V C -0.787 175.338 176.094 0.051 0.000 1.093 145 V CA -0.749 61.580 62.300 0.049 0.000 1.016 145 V CB 2.254 34.093 31.823 0.027 0.000 1.096 145 V HN 0.677 nan 8.190 nan 0.000 0.452 146 D N 0.767 121.193 120.400 0.043 0.000 2.593 146 D HA 0.373 5.015 4.640 0.002 0.000 0.251 146 D C -0.370 175.954 176.300 0.041 0.000 1.140 146 D CA -0.859 53.172 54.000 0.052 0.000 0.855 146 D CB 1.533 42.378 40.800 0.074 0.000 1.267 146 D HN 0.509 nan 8.370 nan 0.000 0.532 147 R N 1.339 121.864 120.500 0.040 0.000 4.860 147 R HA 0.436 4.777 4.340 0.002 0.000 0.191 147 R C 0.041 176.358 176.300 0.028 0.000 1.936 147 R CA -0.103 56.015 56.100 0.030 0.000 1.609 147 R CB -0.909 29.409 30.300 0.030 0.000 1.392 147 R HN 0.640 nan 8.270 nan 0.000 0.844 148 S N -3.249 112.468 115.700 0.027 0.000 2.640 148 S HA 0.310 4.781 4.470 0.002 0.000 0.276 148 S C 0.277 174.888 174.600 0.018 0.000 1.170 148 S CA -0.541 57.670 58.200 0.020 0.000 1.046 148 S CB 0.177 63.390 63.200 0.022 0.000 1.229 148 S HN 0.180 nan 8.310 nan 0.000 0.464 149 G N -0.116 108.688 108.800 0.007 0.000 3.441 149 G HA2 0.272 4.233 3.960 0.002 0.000 0.263 149 G HA3 0.272 4.233 3.960 0.002 0.000 0.263 149 G C 0.659 175.550 174.900 -0.016 0.000 1.014 149 G CA 0.442 45.543 45.100 0.000 0.000 0.833 149 G HN 0.746 nan 8.290 nan 0.000 0.514 150 K N 0.053 120.435 120.400 -0.031 0.000 2.025 150 K HA -0.038 4.283 4.320 0.002 0.000 0.207 150 K C 0.261 176.750 176.600 -0.185 0.000 1.049 150 K CA 0.641 56.858 56.287 -0.117 0.000 0.933 150 K CB -0.072 32.337 32.500 -0.150 0.000 0.714 150 K HN 0.231 nan 8.250 nan 0.000 0.438 151 H N 0.945 120.012 119.070 -0.004 0.000 2.527 151 H HA 0.055 4.612 4.556 0.002 0.000 0.321 151 H C -0.792 174.536 175.328 0.001 0.000 1.087 151 H CA -0.607 55.440 56.048 -0.002 0.000 1.337 151 H CB 1.349 31.112 29.762 0.001 0.000 1.440 151 H HN 0.248 nan 8.280 nan 0.000 0.490 152 D N 1.955 122.431 120.400 0.127 0.000 2.344 152 D HA -0.032 4.610 4.640 0.002 0.000 0.244 152 D C 1.398 177.739 176.300 0.068 0.000 1.134 152 D CA -0.326 53.713 54.000 0.066 0.000 0.930 152 D CB 1.094 41.917 40.800 0.038 0.000 1.175 152 D HN 0.427 nan 8.370 nan 0.000 0.437 153 L N 2.397 123.646 121.223 0.042 0.000 2.012 153 L HA -0.199 4.143 4.340 0.002 0.000 0.210 153 L C 2.025 178.924 176.870 0.049 0.000 1.073 153 L CA 1.823 56.686 54.840 0.038 0.000 0.748 153 L CB -0.391 41.681 42.059 0.021 0.000 0.891 153 L HN 0.589 nan 8.230 nan 0.000 0.431 154 A N -0.854 121.991 122.820 0.042 0.000 1.933 154 A HA -0.278 4.043 4.320 0.002 0.000 0.218 154 A C 2.003 179.638 177.584 0.084 0.000 1.175 154 A CA 1.910 53.978 52.037 0.052 0.000 0.628 154 A CB -0.661 18.345 19.000 0.009 0.000 0.814 154 A HN 0.539 nan 8.150 nan 0.000 0.444 155 D N 0.028 120.473 120.400 0.077 0.000 2.117 155 D HA -0.106 4.535 4.640 0.002 0.000 0.197 155 D C 1.943 178.305 176.300 0.103 0.000 0.987 155 D CA 1.102 55.163 54.000 0.100 0.000 0.829 155 D CB -0.145 40.737 40.800 0.136 0.000 0.961 155 D HN 0.457 nan 8.370 nan 0.000 0.460 156 L N 0.147 121.421 121.223 0.085 0.000 1.994 156 L HA -0.132 4.209 4.340 0.002 0.000 0.208 156 L C 2.824 179.749 176.870 0.092 0.000 1.071 156 L CA 0.780 55.663 54.840 0.071 0.000 0.745 156 L CB -0.466 41.630 42.059 0.063 0.000 0.892 156 L HN -0.032 nan 8.230 nan 0.000 0.431 157 R N 0.190 120.745 120.500 0.093 0.000 2.096 157 R HA -0.160 4.181 4.340 0.002 0.000 0.240 157 R C 2.380 178.750 176.300 0.117 0.000 1.139 157 R CA 1.961 58.109 56.100 0.080 0.000 0.952 157 R CB -0.699 29.653 30.300 0.087 0.000 0.854 157 R HN 0.288 nan 8.270 nan 0.000 0.436 158 S N 1.045 116.902 115.700 0.262 0.000 2.399 158 S HA -0.133 4.338 4.470 0.002 0.000 0.231 158 S C 1.719 176.557 174.600 0.397 0.000 1.022 158 S CA 0.851 59.368 58.200 0.529 0.000 0.983 158 S CB -0.194 63.336 63.200 0.549 0.000 0.803 158 S HN 0.202 nan 8.310 nan 0.000 0.480 159 L N 1.836 123.184 121.223 0.209 0.000 2.027 159 L HA 0.021 4.362 4.340 0.002 0.000 0.206 159 L C 2.293 179.277 176.870 0.190 0.000 1.074 159 L CA 1.830 56.763 54.840 0.156 0.000 0.745 159 L CB -0.901 41.188 42.059 0.049 0.000 0.898 159 L HN 0.158 nan 8.230 nan 0.000 0.433 160 Q N -0.578 119.299 119.800 0.129 0.000 2.167 160 Q HA -0.183 4.158 4.340 0.002 0.000 0.202 160 Q C 1.672 177.657 176.000 -0.025 0.000 0.970 160 Q CA 1.588 57.456 55.803 0.109 0.000 0.855 160 Q CB -0.043 28.748 28.738 0.088 0.000 0.911 160 Q HN 0.587 nan 8.270 nan 0.000 0.438 161 D N -1.172 119.115 120.400 -0.189 0.000 2.110 161 D HA -0.101 4.541 4.640 0.002 0.000 0.202 161 D C 0.794 176.666 176.300 -0.714 0.000 0.975 161 D CA 0.831 54.464 54.000 -0.611 0.000 0.839 161 D CB -0.007 40.013 40.800 -1.301 0.000 0.996 161 D HN 0.379 nan 8.370 nan 0.000 0.464 162 W N -0.265 120.924 121.300 -0.184 0.000 3.067 162 W HA 0.244 4.905 4.660 0.002 0.000 0.417 162 W C 0.670 177.018 176.519 -0.285 0.000 1.029 162 W CA -0.447 56.632 57.345 -0.444 0.000 1.992 162 W CB -0.251 29.038 29.460 -0.285 0.000 1.122 162 W HN -0.064 nan 8.180 nan 0.000 0.681 163 F N -0.678 119.187 119.950 -0.142 0.000 1.855 163 F HA 0.160 4.689 4.527 0.002 0.000 0.228 163 F C 1.919 177.725 175.800 0.010 0.000 1.236 163 F CA 0.227 58.200 58.000 -0.045 0.000 1.308 163 F CB -0.512 38.494 39.000 0.009 0.000 1.877 163 F HN -0.376 nan 8.300 nan 0.000 0.272 164 L N 1.566 122.800 121.223 0.018 0.000 1.971 164 L HA -0.260 4.082 4.340 0.002 0.000 0.215 164 L C 2.426 179.270 176.870 -0.043 0.000 1.072 164 L CA 2.313 57.101 54.840 -0.086 0.000 0.758 164 L CB -0.772 41.374 42.059 0.145 0.000 0.889 164 L HN 0.295 nan 8.230 nan 0.000 0.433 165 K N -0.750 119.683 120.400 0.055 0.000 2.127 165 K HA -0.258 4.063 4.320 0.002 0.000 0.208 165 K C 2.146 178.849 176.600 0.171 0.000 1.047 165 K CA 1.823 58.170 56.287 0.099 0.000 0.927 165 K CB -0.174 32.374 32.500 0.080 0.000 0.716 165 K HN 0.153 nan 8.250 nan 0.000 0.450 166 Y N 1.225 121.456 120.300 -0.115 0.000 2.314 166 Y HA -0.062 4.490 4.550 0.002 0.000 0.293 166 Y C 2.224 178.030 175.900 -0.156 0.000 1.129 166 Y CA 0.738 58.771 58.100 -0.112 0.000 1.201 166 Y CB -0.163 38.253 38.460 -0.074 0.000 0.999 166 Y HN 0.129 nan 8.280 nan 0.000 0.541 167 E N -0.531 119.620 120.200 -0.083 0.000 2.106 167 E HA -0.116 4.235 4.350 0.002 0.000 0.192 167 E C 2.034 178.562 176.600 -0.120 0.000 0.984 167 E CA 0.852 57.142 56.400 -0.183 0.000 0.806 167 E CB -0.184 29.293 29.700 -0.371 0.000 0.750 167 E HN 0.327 nan 8.360 nan 0.000 0.458 168 L N 0.720 121.890 121.223 -0.088 0.000 2.202 168 L HA 0.049 4.391 4.340 0.002 0.000 0.205 168 L C 2.244 179.076 176.870 -0.064 0.000 1.083 168 L CA 1.012 55.808 54.840 -0.073 0.000 0.790 168 L CB -0.653 41.381 42.059 -0.042 0.000 0.942 168 L HN -0.006 nan 8.230 nan 0.000 0.452 169 K N -0.467 119.896 120.400 -0.062 0.000 2.281 169 K HA -0.165 4.157 4.320 0.002 0.000 0.203 169 K C 1.703 178.252 176.600 -0.086 0.000 1.046 169 K CA 1.520 57.759 56.287 -0.080 0.000 0.938 169 K CB 0.084 32.518 32.500 -0.110 0.000 0.737 169 K HN 0.312 nan 8.250 nan 0.000 0.458 170 T N 1.552 116.055 114.554 -0.084 0.000 2.746 170 T HA -0.086 4.265 4.350 0.002 0.000 0.267 170 T C 1.029 175.688 174.700 -0.069 0.000 1.039 170 T CA 0.730 62.783 62.100 -0.078 0.000 1.142 170 T CB -0.165 68.659 68.868 -0.073 0.000 0.866 170 T HN 0.159 nan 8.240 nan 0.000 0.444 171 I N 3.545 124.073 120.570 -0.069 0.000 2.919 171 I HA -0.062 4.110 4.170 0.002 0.000 0.303 171 I C -0.802 175.280 176.117 -0.058 0.000 1.221 171 I CA -1.172 60.089 61.300 -0.065 0.000 1.444 171 I CB 0.457 38.414 38.000 -0.071 0.000 1.331 171 I HN 0.130 nan 8.210 nan 0.000 0.572 172 P HA -0.247 nan 4.420 nan 0.000 0.211 172 P C 0.428 177.702 177.300 -0.043 0.000 0.906 172 P CA 1.682 64.754 63.100 -0.047 0.000 1.017 172 P CB 0.031 31.705 31.700 -0.045 0.000 0.717 173 D N -1.009 119.367 120.400 -0.040 0.000 2.336 173 D HA 0.114 4.756 4.640 0.002 0.000 0.228 173 D C -0.080 176.201 176.300 -0.032 0.000 1.120 173 D CA -0.010 53.972 54.000 -0.030 0.000 0.839 173 D CB -0.278 40.506 40.800 -0.027 0.000 0.932 173 D HN -0.014 nan 8.370 nan 0.000 0.509 174 V N 1.758 121.647 119.914 -0.043 0.000 2.397 174 V HA 0.188 4.310 4.120 0.002 0.000 0.262 174 V C 1.528 177.591 176.094 -0.052 0.000 1.047 174 V CA -0.238 62.032 62.300 -0.050 0.000 1.003 174 V CB 0.673 32.463 31.823 -0.055 0.000 1.037 174 V HN 0.121 nan 8.190 nan 0.000 0.480 175 A N 5.403 128.193 122.820 -0.050 0.000 1.828 175 A HA -0.046 4.276 4.320 0.002 0.000 0.215 175 A C 0.885 178.429 177.584 -0.066 0.000 1.203 175 A CA 1.485 53.496 52.037 -0.044 0.000 0.614 175 A CB -0.055 18.926 19.000 -0.032 0.000 0.844 175 A HN 0.908 nan 8.150 nan 0.000 0.445 176 E N -2.058 118.088 120.200 -0.091 0.000 2.393 176 E HA 0.584 4.935 4.350 0.002 0.000 0.273 176 E C -1.769 174.749 176.600 -0.136 0.000 0.918 176 E CA -0.951 55.386 56.400 -0.105 0.000 0.773 176 E CB 1.934 31.574 29.700 -0.100 0.000 1.275 176 E HN -0.054 nan 8.360 nan 0.000 0.451 177 V N 1.937 121.783 119.914 -0.114 0.000 2.239 177 V HA 0.424 4.545 4.120 0.002 0.000 0.267 177 V C 0.299 176.306 176.094 -0.145 0.000 1.056 177 V CA -0.267 61.967 62.300 -0.110 0.000 0.830 177 V CB 0.269 32.079 31.823 -0.023 0.000 1.090 177 V HN 0.838 nan 8.190 nan 0.000 0.459 178 A N 4.072 126.743 122.820 -0.248 0.000 2.586 178 A HA 0.377 4.698 4.320 0.002 0.000 0.231 178 A C 0.666 178.124 177.584 -0.209 0.000 1.055 178 A CA 0.439 52.323 52.037 -0.255 0.000 0.756 178 A CB 0.149 18.900 19.000 -0.414 0.000 0.988 178 A HN 0.681 nan 8.150 nan 0.000 0.509 179 S N 0.086 115.691 115.700 -0.159 0.000 2.454 179 S HA 0.537 5.009 4.470 0.002 0.000 0.306 179 S C -0.529 174.005 174.600 -0.109 0.000 1.100 179 S CA -0.531 57.583 58.200 -0.142 0.000 1.087 179 S CB 1.452 64.570 63.200 -0.137 0.000 1.019 179 S HN 1.215 nan 8.310 nan 0.000 0.480 180 V N 3.461 123.314 119.914 -0.102 0.000 2.735 180 V HA 0.864 4.985 4.120 0.002 0.000 0.310 180 V C 0.495 176.595 176.094 0.010 0.000 1.061 180 V CA 0.782 63.059 62.300 -0.037 0.000 0.913 180 V CB 0.757 32.553 31.823 -0.044 0.000 1.005 180 V HN 1.258 nan 8.190 nan 0.000 0.428 181 G N 4.313 113.133 108.800 0.033 0.000 2.569 181 G HA2 0.319 4.281 3.960 0.002 0.000 0.259 181 G HA3 0.319 4.281 3.960 0.002 0.000 0.259 181 G C 1.188 176.103 174.900 0.026 0.000 1.263 181 G CA 0.328 45.452 45.100 0.040 0.000 0.928 181 G HN 2.887 nan 8.290 nan 0.000 0.572 182 G N -2.573 106.243 108.800 0.027 0.000 2.593 182 G HA2 0.348 4.309 3.960 0.002 0.000 0.237 182 G HA3 0.348 4.309 3.960 0.002 0.000 0.237 182 G C 0.433 175.354 174.900 0.034 0.000 1.312 182 G CA 1.329 46.448 45.100 0.031 0.000 0.896 182 G HN 2.441 nan 8.290 nan 0.000 0.574 183 V N -1.100 118.842 119.914 0.048 0.000 3.048 183 V HA 0.608 4.729 4.120 0.002 0.000 0.303 183 V C -0.403 175.741 176.094 0.083 0.000 1.214 183 V CA -0.081 62.250 62.300 0.052 0.000 0.984 183 V CB 2.117 33.961 31.823 0.034 0.000 1.054 183 V HN 1.530 nan 8.190 nan 0.000 0.430 184 V N 4.965 124.933 119.914 0.091 0.000 2.364 184 V HA 0.424 4.545 4.120 0.002 0.000 0.272 184 V C 0.367 176.519 176.094 0.097 0.000 1.036 184 V CA -0.727 61.666 62.300 0.154 0.000 0.880 184 V CB 1.116 33.031 31.823 0.153 0.000 0.991 184 V HN 0.911 nan 8.190 nan 0.000 0.460 185 K N 4.227 124.666 120.400 0.066 0.000 2.437 185 K HA 0.020 4.342 4.320 0.002 0.000 0.277 185 K C -0.038 176.411 176.600 -0.252 0.000 1.073 185 K CA 0.377 56.532 56.287 -0.220 0.000 1.105 185 K CB 0.362 32.471 32.500 -0.650 0.000 0.881 185 K HN 0.910 nan 8.250 nan 0.000 0.475 186 E N 4.717 124.764 120.200 -0.255 0.000 2.234 186 E HA 0.149 4.501 4.350 0.002 0.000 0.266 186 E C -1.498 174.962 176.600 -0.234 0.000 0.877 186 E CA -0.909 55.367 56.400 -0.206 0.000 0.758 186 E CB 0.674 30.353 29.700 -0.036 0.000 1.170 186 E HN 0.447 nan 8.360 nan 0.000 0.415 187 Y N 2.921 123.204 120.300 -0.027 0.000 2.556 187 Y HA 0.181 4.732 4.550 0.002 0.000 0.352 187 Y C 0.003 175.861 175.900 -0.070 0.000 1.006 187 Y CA -0.448 57.565 58.100 -0.144 0.000 1.277 187 Y CB 0.706 39.039 38.460 -0.211 0.000 1.136 187 Y HN 0.371 nan 8.280 nan 0.000 0.523 188 Q N 2.753 122.592 119.800 0.065 0.000 2.368 188 Q HA 0.409 4.750 4.340 0.002 0.000 0.256 188 Q C -0.838 175.196 176.000 0.057 0.000 0.980 188 Q CA -0.714 55.129 55.803 0.067 0.000 0.887 188 Q CB 1.759 30.528 28.738 0.051 0.000 1.221 188 Q HN 0.382 nan 8.270 nan 0.000 0.458 189 V N 3.671 123.644 119.914 0.098 0.000 2.389 189 V HA 0.156 4.277 4.120 0.002 0.000 0.264 189 V C -0.177 175.977 176.094 0.100 0.000 1.049 189 V CA -0.484 61.877 62.300 0.102 0.000 0.932 189 V CB 1.233 33.142 31.823 0.144 0.000 1.011 189 V HN 0.500 nan 8.190 nan 0.000 0.475 190 V N 7.469 127.434 119.914 0.085 0.000 2.357 190 V HA 0.498 4.619 4.120 0.002 0.000 0.284 190 V C -0.023 176.116 176.094 0.074 0.000 1.018 190 V CA -0.515 61.844 62.300 0.098 0.000 0.841 190 V CB 1.101 32.982 31.823 0.096 0.000 0.991 190 V HN 0.640 nan 8.190 nan 0.000 0.437 191 I N 4.998 125.617 120.570 0.082 0.000 2.720 191 I HA 0.358 4.530 4.170 0.002 0.000 0.287 191 I C 0.067 176.107 176.117 -0.129 0.000 1.090 191 I CA 0.158 61.463 61.300 0.007 0.000 1.384 191 I CB 1.188 39.229 38.000 0.068 0.000 1.420 191 I HN 0.703 nan 8.210 nan 0.000 0.575 192 D N 6.487 126.800 120.400 -0.144 0.000 2.453 192 D HA 0.354 4.995 4.640 0.002 0.000 0.238 192 D C -1.922 174.207 176.300 -0.284 0.000 1.088 192 D CA -2.177 51.707 54.000 -0.193 0.000 0.854 192 D CB 1.928 42.703 40.800 -0.042 0.000 1.076 192 D HN 0.054 nan 8.370 nan 0.000 0.533 193 P HA -0.227 nan 4.420 nan 0.000 0.217 193 P C 1.050 178.204 177.300 -0.243 0.000 1.158 193 P CA 1.588 64.370 63.100 -0.530 0.000 0.887 193 P CB 0.266 31.431 31.700 -0.892 0.000 0.792 194 Q N -1.378 118.315 119.800 -0.177 0.000 2.124 194 Q HA -0.138 4.203 4.340 0.002 0.000 0.202 194 Q C 2.277 178.281 176.000 0.006 0.000 0.977 194 Q CA 0.994 56.764 55.803 -0.055 0.000 0.850 194 Q CB -0.301 28.440 28.738 0.006 0.000 0.901 194 Q HN 0.145 nan 8.270 nan 0.000 0.429 195 R N 0.270 120.786 120.500 0.027 0.000 2.092 195 R HA -0.061 4.280 4.340 0.002 0.000 0.231 195 R C 2.130 178.541 176.300 0.186 0.000 1.119 195 R CA 0.768 56.952 56.100 0.140 0.000 0.970 195 R CB -0.624 29.731 30.300 0.092 0.000 0.864 195 R HN 0.215 nan 8.270 nan 0.000 0.440 196 L N 0.571 121.832 121.223 0.063 0.000 2.017 196 L HA -0.098 4.243 4.340 0.002 0.000 0.208 196 L C 2.435 179.356 176.870 0.085 0.000 1.073 196 L CA 2.040 56.923 54.840 0.073 0.000 0.745 196 L CB -1.157 40.920 42.059 0.031 0.000 0.894 196 L HN 0.136 nan 8.230 nan 0.000 0.432 197 A N -1.214 121.626 122.820 0.034 0.000 1.873 197 A HA -0.306 4.015 4.320 0.002 0.000 0.218 197 A C 2.184 179.777 177.584 0.014 0.000 1.193 197 A CA 1.993 54.040 52.037 0.016 0.000 0.629 197 A CB -0.637 18.354 19.000 -0.015 0.000 0.826 197 A HN 0.570 nan 8.150 nan 0.000 0.447 198 Q N -1.692 118.111 119.800 0.005 0.000 2.045 198 Q HA -0.230 4.111 4.340 0.002 0.000 0.206 198 Q C 1.881 177.771 176.000 -0.183 0.000 0.991 198 Q CA 2.186 57.920 55.803 -0.114 0.000 0.851 198 Q CB -0.363 28.268 28.738 -0.178 0.000 0.911 198 Q HN 0.880 nan 8.270 nan 0.000 0.418 199 Y N -0.985 119.307 120.300 -0.014 0.000 2.517 199 Y HA 0.157 4.708 4.550 0.002 0.000 0.281 199 Y C 1.451 177.343 175.900 -0.012 0.000 1.125 199 Y CA 0.388 58.478 58.100 -0.016 0.000 1.283 199 Y CB 0.422 38.870 38.460 -0.019 0.000 1.042 199 Y HN 0.255 nan 8.280 nan 0.000 0.547 200 G N 1.796 110.666 108.800 0.117 0.000 2.225 200 G HA2 -0.282 3.680 3.960 0.002 0.000 0.264 200 G HA3 -0.282 3.680 3.960 0.002 0.000 0.264 200 G C -0.048 174.895 174.900 0.072 0.000 1.060 200 G CA 0.342 45.483 45.100 0.070 0.000 0.833 200 G HN 0.487 nan 8.290 nan 0.000 0.498 201 I N -2.010 118.611 120.570 0.084 0.000 2.362 201 I HA 0.755 4.926 4.170 0.002 0.000 0.289 201 I C 0.416 176.570 176.117 0.062 0.000 0.994 201 I CA -0.920 60.415 61.300 0.059 0.000 1.158 201 I CB 1.780 39.805 38.000 0.041 0.000 1.315 201 I HN 0.068 nan 8.210 nan 0.000 0.451 202 S N 4.316 120.050 115.700 0.057 0.000 2.624 202 S HA 0.385 4.856 4.470 0.002 0.000 0.263 202 S C 1.175 175.801 174.600 0.043 0.000 1.287 202 S CA -0.574 57.669 58.200 0.072 0.000 0.990 202 S CB 1.063 64.302 63.200 0.065 0.000 0.950 202 S HN 0.747 nan 8.310 nan 0.000 0.561 203 L N 2.100 123.340 121.223 0.028 0.000 1.989 203 L HA -0.151 4.191 4.340 0.002 0.000 0.211 203 L C 2.801 179.634 176.870 -0.061 0.000 1.071 203 L CA 1.783 56.603 54.840 -0.033 0.000 0.749 203 L CB -1.032 40.928 42.059 -0.164 0.000 0.890 203 L HN 0.907 nan 8.230 nan 0.000 0.431 204 A N 0.136 122.901 122.820 -0.091 0.000 1.915 204 A HA -0.280 4.041 4.320 0.002 0.000 0.220 204 A C 2.069 179.632 177.584 -0.034 0.000 1.198 204 A CA 2.168 54.163 52.037 -0.069 0.000 0.647 204 A CB -0.562 18.402 19.000 -0.060 0.000 0.825 204 A HN 0.558 nan 8.150 nan 0.000 0.456 205 E N -0.046 120.144 120.200 -0.017 0.000 2.058 205 E HA -0.158 4.193 4.350 0.002 0.000 0.194 205 E C 2.167 178.763 176.600 -0.007 0.000 0.997 205 E CA 1.611 58.006 56.400 -0.008 0.000 0.801 205 E CB -0.945 28.756 29.700 0.002 0.000 0.746 205 E HN 0.503 nan 8.360 nan 0.000 0.450 206 V N 2.379 122.292 119.914 -0.001 0.000 2.295 206 V HA -0.263 3.859 4.120 0.002 0.000 0.246 206 V C 2.650 178.749 176.094 0.007 0.000 1.049 206 V CA 2.176 64.481 62.300 0.008 0.000 1.024 206 V CB -0.793 31.044 31.823 0.023 0.000 0.648 206 V HN 0.259 nan 8.190 nan 0.000 0.447 207 K N 0.726 121.123 120.400 -0.005 0.000 2.057 207 K HA -0.186 4.135 4.320 0.002 0.000 0.207 207 K C 2.220 178.816 176.600 -0.007 0.000 1.049 207 K CA 2.032 58.316 56.287 -0.005 0.000 0.931 207 K CB -0.305 32.180 32.500 -0.025 0.000 0.714 207 K HN 0.441 nan 8.250 nan 0.000 0.440 208 S N 0.666 116.358 115.700 -0.013 0.000 2.399 208 S HA -0.088 4.384 4.470 0.002 0.000 0.231 208 S C 1.987 176.579 174.600 -0.014 0.000 1.022 208 S CA 1.020 59.211 58.200 -0.015 0.000 0.983 208 S CB -0.179 63.011 63.200 -0.017 0.000 0.803 208 S HN 0.549 nan 8.310 nan 0.000 0.480 209 A N 1.409 124.223 122.820 -0.010 0.000 1.872 209 A HA 0.039 4.360 4.320 0.002 0.000 0.214 209 A C 1.996 179.570 177.584 -0.016 0.000 1.187 209 A CA 1.000 53.029 52.037 -0.012 0.000 0.614 209 A CB -0.640 18.357 19.000 -0.005 0.000 0.826 209 A HN 0.359 nan 8.150 nan 0.000 0.442 210 L N 0.633 121.853 121.223 -0.005 0.000 2.012 210 L HA -0.192 4.149 4.340 0.002 0.000 0.210 210 L C 1.516 178.374 176.870 -0.019 0.000 1.073 210 L CA 2.167 57.003 54.840 -0.007 0.000 0.748 210 L CB -1.022 41.055 42.059 0.031 0.000 0.891 210 L HN 0.363 nan 8.230 nan 0.000 0.431 211 D N -0.903 119.490 120.400 -0.011 0.000 2.378 211 D HA -0.011 4.630 4.640 0.002 0.000 0.222 211 D C 1.347 177.628 176.300 -0.032 0.000 0.980 211 D CA 1.047 55.037 54.000 -0.016 0.000 0.907 211 D CB -0.023 40.770 40.800 -0.011 0.000 0.899 211 D HN 0.340 nan 8.370 nan 0.000 0.527 212 A N -0.595 122.202 122.820 -0.038 0.000 2.616 212 A HA 0.388 4.710 4.320 0.002 0.000 0.294 212 A C 0.960 178.509 177.584 -0.059 0.000 1.091 212 A CA -0.384 51.625 52.037 -0.047 0.000 0.971 212 A CB 0.578 19.557 19.000 -0.035 0.000 1.222 212 A HN -0.031 nan 8.150 nan 0.000 0.521 213 S N 0.095 115.748 115.700 -0.077 0.000 2.900 213 S HA 0.186 4.658 4.470 0.002 0.000 0.253 213 S C -0.051 174.464 174.600 -0.142 0.000 1.029 213 S CA -0.267 57.874 58.200 -0.099 0.000 1.096 213 S CB 0.022 63.164 63.200 -0.098 0.000 1.067 213 S HN 0.504 nan 8.310 nan 0.000 0.610 214 N N 2.212 120.828 118.700 -0.142 0.000 2.732 214 N HA 0.262 5.003 4.740 0.002 0.000 0.235 214 N C -1.271 174.096 175.510 -0.239 0.000 1.466 214 N CA 0.029 52.982 53.050 -0.162 0.000 0.751 214 N CB 0.336 38.764 38.487 -0.098 0.000 1.317 214 N HN 0.146 nan 8.380 nan 0.000 0.525 215 Q N -0.207 119.363 119.800 -0.384 0.000 2.534 215 Q HA 0.489 4.830 4.340 0.002 0.000 0.290 215 Q C -1.525 174.136 176.000 -0.565 0.000 0.991 215 Q CA -0.830 54.709 55.803 -0.441 0.000 0.783 215 Q CB 2.374 30.981 28.738 -0.219 0.000 1.470 215 Q HN 0.313 nan 8.270 nan 0.000 0.406 216 E N -0.118 119.803 120.200 -0.465 0.000 2.340 216 E HA 0.851 5.202 4.350 0.002 0.000 0.273 216 E C -1.888 174.635 176.600 -0.128 0.000 0.891 216 E CA -0.736 55.484 56.400 -0.300 0.000 0.757 216 E CB 1.831 31.377 29.700 -0.257 0.000 1.231 216 E HN 0.648 nan 8.360 nan 0.000 0.439 217 A N 1.865 124.641 122.820 -0.074 0.000 2.601 217 A HA 0.818 5.140 4.320 0.002 0.000 0.291 217 A C -1.045 176.528 177.584 -0.018 0.000 1.075 217 A CA -0.137 51.877 52.037 -0.038 0.000 0.671 217 A CB 1.762 20.735 19.000 -0.044 0.000 1.277 217 A HN 0.614 nan 8.150 nan 0.000 0.417 218 G N -1.224 107.571 108.800 -0.007 0.000 2.619 218 G HA2 0.640 4.602 3.960 0.002 0.000 0.296 218 G HA3 0.640 4.602 3.960 0.002 0.000 0.296 218 G C -0.261 174.641 174.900 0.003 0.000 1.334 218 G CA -0.027 45.074 45.100 0.003 0.000 0.934 218 G HN 1.704 nan 8.290 nan 0.000 0.476 219 G N -0.294 108.510 108.800 0.007 0.000 4.876 219 G HA2 0.588 4.549 3.960 0.002 0.000 0.304 219 G HA3 0.588 4.549 3.960 0.002 0.000 0.304 219 G C 0.009 174.915 174.900 0.010 0.000 1.396 219 G CA 0.781 45.885 45.100 0.005 0.000 0.978 219 G HN 1.692 nan 8.290 nan 0.000 0.565 220 S N -0.876 114.832 115.700 0.014 0.000 4.014 220 S HA -0.047 4.424 4.470 0.002 0.000 0.638 220 S C 0.408 175.026 174.600 0.030 0.000 1.622 220 S CA 0.559 58.770 58.200 0.018 0.000 1.816 220 S CB -1.158 62.051 63.200 0.014 0.000 0.329 220 S HN 2.045 nan 8.310 nan 0.000 1.759 221 S N 1.000 116.721 115.700 0.036 0.000 2.751 221 S HA 0.931 5.403 4.470 0.002 0.000 0.310 221 S C -0.289 174.346 174.600 0.057 0.000 1.128 221 S CA -0.268 57.968 58.200 0.060 0.000 0.931 221 S CB 1.637 64.875 63.200 0.064 0.000 1.177 221 S HN 1.584 nan 8.310 nan 0.000 0.530 222 I N -2.290 118.329 120.570 0.082 0.000 2.769 222 I HA 0.546 4.718 4.170 0.002 0.000 0.298 222 I C -0.508 175.636 176.117 0.044 0.000 1.128 222 I CA -0.721 60.602 61.300 0.040 0.000 1.031 222 I CB 2.225 40.226 38.000 0.002 0.000 1.235 222 I HN 0.870 nan 8.210 nan 0.000 0.423 223 E N 4.132 124.340 120.200 0.013 0.000 2.261 223 E HA 0.227 4.579 4.350 0.002 0.000 0.308 223 E C -1.013 175.564 176.600 -0.038 0.000 1.400 223 E CA -0.601 55.808 56.400 0.014 0.000 1.542 223 E CB 0.433 30.142 29.700 0.015 0.000 1.369 223 E HN 0.548 nan 8.360 nan 0.000 0.493 224 L N 2.371 123.519 121.223 -0.124 0.000 2.349 224 L HA 0.431 4.773 4.340 0.002 0.000 0.275 224 L C 0.507 177.303 176.870 -0.123 0.000 1.115 224 L CA 1.000 55.709 54.840 -0.219 0.000 0.820 224 L CB 0.731 42.487 42.059 -0.505 0.000 1.135 224 L HN 0.583 nan 8.230 nan 0.000 0.445 225 A N 3.816 126.593 122.820 -0.071 0.000 5.295 225 A HA -0.327 3.995 4.320 0.002 0.000 0.313 225 A C 1.296 178.894 177.584 0.025 0.000 1.912 225 A CA 1.424 53.458 52.037 -0.005 0.000 0.714 225 A CB -1.600 17.421 19.000 0.034 0.000 1.319 225 A HN 0.786 nan 8.150 nan 0.000 0.375 226 E N -0.866 119.371 120.200 0.062 0.000 2.288 226 E HA 0.544 4.895 4.350 0.002 0.000 0.200 226 E C 1.178 177.834 176.600 0.093 0.000 0.880 226 E CA 1.023 57.459 56.400 0.060 0.000 0.971 226 E CB -0.196 29.530 29.700 0.044 0.000 0.954 226 E HN 1.241 nan 8.360 nan 0.000 0.489 227 A N 1.124 124.029 122.820 0.142 0.000 2.466 227 A HA 0.096 4.417 4.320 0.002 0.000 0.238 227 A C 0.023 177.766 177.584 0.264 0.000 1.074 227 A CA 0.141 52.269 52.037 0.152 0.000 0.774 227 A CB 0.100 19.160 19.000 0.100 0.000 1.015 227 A HN 0.085 nan 8.150 nan 0.000 0.498 228 E N -0.086 120.216 120.200 0.170 0.000 2.216 228 E HA 0.407 4.758 4.350 0.002 0.000 0.279 228 E C -1.514 175.221 176.600 0.225 0.000 0.997 228 E CA -0.194 56.343 56.400 0.229 0.000 0.817 228 E CB 0.908 30.670 29.700 0.104 0.000 1.096 228 E HN 0.569 nan 8.360 nan 0.000 0.393 229 Y N 1.611 121.911 120.300 -0.000 0.000 2.361 229 Y HA 0.306 4.857 4.550 0.002 0.000 0.332 229 Y C 0.380 176.281 175.900 0.001 0.000 1.101 229 Y CA -0.682 57.419 58.100 0.000 0.000 1.137 229 Y CB 0.984 39.444 38.460 0.000 0.000 1.207 229 Y HN 0.368 nan 8.280 nan 0.000 0.463 230 M N 3.237 122.892 119.600 0.091 0.000 2.188 230 M HA 0.380 4.861 4.480 0.002 0.000 0.357 230 M C -0.686 175.656 176.300 0.070 0.000 1.204 230 M CA -0.702 54.632 55.300 0.057 0.000 1.095 230 M CB 1.271 33.880 32.600 0.015 0.000 1.604 230 M HN 0.452 nan 8.290 nan 0.000 0.464 231 V N 5.770 125.718 119.914 0.057 0.000 2.350 231 V HA 0.685 4.806 4.120 0.002 0.000 0.276 231 V C -0.600 175.511 176.094 0.030 0.000 1.028 231 V CA -0.315 62.014 62.300 0.048 0.000 0.860 231 V CB 0.851 32.697 31.823 0.039 0.000 0.990 231 V HN 0.976 nan 8.190 nan 0.000 0.453 232 R N 5.816 126.333 120.500 0.029 0.000 2.960 232 R HA 1.036 5.377 4.340 0.002 0.000 0.249 232 R C -0.716 175.593 176.300 0.015 0.000 1.192 232 R CA -0.236 55.876 56.100 0.021 0.000 1.035 232 R CB 1.625 31.941 30.300 0.027 0.000 1.234 232 R HN 1.171 nan 8.270 nan 0.000 0.493 233 A N -0.144 122.682 122.820 0.009 0.000 2.594 233 A HA 0.585 4.906 4.320 0.002 0.000 0.296 233 A C -1.405 176.172 177.584 -0.012 0.000 1.056 233 A CA -0.378 51.658 52.037 -0.001 0.000 0.693 233 A CB 1.374 20.364 19.000 -0.016 0.000 1.278 233 A HN 1.133 nan 8.150 nan 0.000 0.408 234 S N 0.384 116.081 115.700 -0.004 0.000 2.532 234 S HA 0.768 5.239 4.470 0.002 0.000 0.299 234 S C -0.078 174.491 174.600 -0.051 0.000 1.105 234 S CA 0.023 58.219 58.200 -0.006 0.000 1.018 234 S CB 1.642 64.913 63.200 0.118 0.000 1.021 234 S HN 2.185 nan 8.310 nan 0.000 0.483 235 G N 2.655 111.359 108.800 -0.160 0.000 3.749 235 G HA2 0.494 4.456 3.960 0.002 0.000 0.339 235 G HA3 0.494 4.456 3.960 0.002 0.000 0.339 235 G C -1.387 173.410 174.900 -0.173 0.000 1.513 235 G CA -0.405 44.614 45.100 -0.135 0.000 1.035 235 G HN 0.694 nan 8.290 nan 0.000 0.480 236 Y N 1.210 121.469 120.300 -0.068 0.000 2.364 236 Y HA 0.433 4.985 4.550 0.002 0.000 0.340 236 Y C -0.255 175.575 175.900 -0.116 0.000 0.975 236 Y CA -1.189 56.864 58.100 -0.077 0.000 1.089 236 Y CB 2.476 40.908 38.460 -0.046 0.000 1.192 236 Y HN 0.201 nan 8.280 nan 0.000 0.454 237 L N 5.042 126.322 121.223 0.095 0.000 2.325 237 L HA 0.176 4.518 4.340 0.002 0.000 0.284 237 L C 0.156 177.003 176.870 -0.037 0.000 1.089 237 L CA 0.568 55.307 54.840 -0.168 0.000 0.836 237 L CB 0.564 42.345 42.059 -0.464 0.000 1.184 237 L HN 0.783 nan 8.230 nan 0.000 0.444 238 Q N 1.604 121.391 119.800 -0.021 0.000 1.985 238 Q HA 0.249 4.591 4.340 0.002 0.000 0.199 238 Q C -0.366 175.643 176.000 0.016 0.000 0.776 238 Q CA -0.265 55.547 55.803 0.014 0.000 0.988 238 Q CB 0.652 29.385 28.738 -0.009 0.000 1.224 238 Q HN 0.528 nan 8.270 nan 0.000 0.432 239 T N -2.916 111.664 114.554 0.044 0.000 2.923 239 T HA 0.459 4.811 4.350 0.002 0.000 0.311 239 T C 0.568 175.349 174.700 0.135 0.000 1.183 239 T CA -0.825 61.295 62.100 0.033 0.000 1.020 239 T CB 1.287 70.143 68.868 -0.019 0.000 1.165 239 T HN 0.093 nan 8.240 nan 0.000 0.482 240 L N 0.868 122.116 121.223 0.043 0.000 2.131 240 L HA -0.057 4.284 4.340 0.002 0.000 0.210 240 L C 2.643 179.566 176.870 0.088 0.000 1.092 240 L CA 1.678 56.545 54.840 0.045 0.000 0.759 240 L CB -0.536 41.478 42.059 -0.076 0.000 0.903 240 L HN 0.843 nan 8.230 nan 0.000 0.435 241 D N 0.677 121.082 120.400 0.008 0.000 2.126 241 D HA -0.259 4.383 4.640 0.002 0.000 0.190 241 D C 1.700 177.964 176.300 -0.060 0.000 1.001 241 D CA 1.748 55.705 54.000 -0.072 0.000 0.841 241 D CB -0.009 40.690 40.800 -0.168 0.000 0.949 241 D HN 0.261 nan 8.370 nan 0.000 0.446 242 D N -1.040 119.340 120.400 -0.032 0.000 2.097 242 D HA -0.146 4.495 4.640 0.002 0.000 0.195 242 D C 2.200 178.497 176.300 -0.005 0.000 0.989 242 D CA 0.605 54.576 54.000 -0.050 0.000 0.827 242 D CB -0.533 40.211 40.800 -0.094 0.000 0.966 242 D HN 0.295 nan 8.370 nan 0.000 0.456 243 F N 1.833 121.750 119.950 -0.054 0.000 2.091 243 F HA -0.189 4.339 4.527 0.002 0.000 0.299 243 F C 2.312 178.119 175.800 0.012 0.000 1.103 243 F CA 1.028 59.008 58.000 -0.034 0.000 1.228 243 F CB -0.446 38.511 39.000 -0.072 0.000 0.984 243 F HN -0.056 nan 8.300 nan 0.000 0.477 244 N N -0.702 118.130 118.700 0.220 0.000 2.084 244 N HA -0.169 4.573 4.740 0.002 0.000 0.190 244 N C 0.834 176.403 175.510 0.098 0.000 1.030 244 N CA 1.241 54.381 53.050 0.150 0.000 0.849 244 N CB -0.976 37.601 38.487 0.150 0.000 1.012 244 N HN 0.293 nan 8.380 nan 0.000 0.423 245 H N 0.307 119.304 119.070 -0.121 0.000 3.332 245 H HA 0.290 4.848 4.556 0.002 0.000 0.235 245 H C -0.208 175.149 175.328 0.048 0.000 1.633 245 H CA 0.037 55.943 56.048 -0.237 0.000 1.288 245 H CB -0.961 28.618 29.762 -0.305 0.000 1.547 245 H HN 0.155 nan 8.280 nan 0.000 0.622 246 I N 0.898 121.591 120.570 0.205 0.000 2.307 246 I HA 0.058 4.229 4.170 0.002 0.000 0.289 246 I C 0.074 176.302 176.117 0.185 0.000 1.021 246 I CA -0.815 60.579 61.300 0.156 0.000 1.224 246 I CB 1.462 39.502 38.000 0.066 0.000 1.376 246 I HN 0.058 nan 8.210 nan 0.000 0.470 247 V N 7.894 127.887 119.914 0.131 0.000 2.585 247 V HA 0.066 4.188 4.120 0.002 0.000 0.296 247 V C 0.623 176.687 176.094 -0.051 0.000 1.035 247 V CA 0.772 63.052 62.300 -0.034 0.000 1.084 247 V CB 0.815 32.603 31.823 -0.057 0.000 0.953 247 V HN 0.701 nan 8.190 nan 0.000 0.483 248 L N 4.207 125.370 121.223 -0.100 0.000 2.590 248 L HA 0.448 4.790 4.340 0.002 0.000 0.181 248 L C 0.465 177.294 176.870 -0.067 0.000 1.134 248 L CA -0.079 54.721 54.840 -0.067 0.000 0.850 248 L CB -0.005 42.015 42.059 -0.066 0.000 1.172 248 L HN 0.454 nan 8.230 nan 0.000 0.498 249 K N 0.504 120.852 120.400 -0.086 0.000 2.345 249 K HA 0.729 5.050 4.320 0.002 0.000 0.255 249 K C -1.318 175.227 176.600 -0.091 0.000 0.934 249 K CA -0.138 56.115 56.287 -0.056 0.000 0.801 249 K CB 2.090 34.585 32.500 -0.008 0.000 1.137 249 K HN 0.192 nan 8.250 nan 0.000 0.424 250 A N 1.577 124.351 122.820 -0.076 0.000 2.587 250 A HA 0.809 5.131 4.320 0.002 0.000 0.293 250 A C -1.207 176.344 177.584 -0.054 0.000 1.087 250 A CA -0.463 51.519 52.037 -0.093 0.000 0.692 250 A CB 1.763 20.688 19.000 -0.125 0.000 1.291 250 A HN 0.651 nan 8.150 nan 0.000 0.407 251 S N -0.469 115.203 115.700 -0.047 0.000 2.752 251 S HA 0.538 5.009 4.470 0.002 0.000 0.284 251 S C -1.546 173.040 174.600 -0.023 0.000 1.189 251 S CA -0.218 57.965 58.200 -0.029 0.000 0.835 251 S CB 1.040 64.228 63.200 -0.020 0.000 1.192 251 S HN 0.963 nan 8.310 nan 0.000 0.506 252 E N 1.751 121.941 120.200 -0.016 0.000 2.324 252 E HA 0.298 4.649 4.350 0.002 0.000 0.271 252 E C -0.339 176.256 176.600 -0.009 0.000 1.028 252 E CA -0.428 55.965 56.400 -0.012 0.000 0.890 252 E CB 0.049 29.744 29.700 -0.010 0.000 1.004 252 E HN 0.612 nan 8.360 nan 0.000 0.431 253 N N 0.999 119.694 118.700 -0.007 0.000 2.965 253 N HA -0.162 4.579 4.740 0.002 0.000 0.232 253 N C 0.824 176.332 175.510 -0.004 0.000 0.913 253 N CA 1.163 54.211 53.050 -0.003 0.000 0.981 253 N CB -1.822 36.664 38.487 -0.003 0.000 1.077 253 N HN 0.837 nan 8.380 nan 0.000 0.589 254 G N 0.284 109.079 108.800 -0.009 0.000 2.689 254 G HA2 0.087 4.049 3.960 0.002 0.000 1.020 254 G HA3 0.087 4.049 3.960 0.002 0.000 1.020 254 G C 0.383 175.279 174.900 -0.007 0.000 1.135 254 G CA 1.294 46.389 45.100 -0.010 0.000 1.645 254 G HN 1.104 nan 8.290 nan 0.000 0.928 255 V N -4.235 115.668 119.914 -0.018 0.000 3.114 255 V HA 0.867 4.988 4.120 0.002 0.000 0.308 255 V C -2.886 173.148 176.094 -0.100 0.000 1.168 255 V CA -2.008 60.273 62.300 -0.033 0.000 1.015 255 V CB 2.298 34.116 31.823 -0.008 0.000 1.050 255 V HN 0.616 nan 8.190 nan 0.000 0.433 256 P HA 0.584 nan 4.420 nan 0.000 0.310 256 P C -1.088 175.875 177.300 -0.562 0.000 1.553 256 P CA -0.467 62.392 63.100 -0.403 0.000 1.179 256 P CB 2.054 33.418 31.700 -0.561 0.000 1.175 257 V N 4.496 124.180 119.914 -0.383 0.000 2.555 257 V HA 0.177 4.298 4.120 0.002 0.000 0.286 257 V C 0.088 175.885 176.094 -0.496 0.000 1.044 257 V CA 0.222 62.306 62.300 -0.361 0.000 1.026 257 V CB -0.514 31.181 31.823 -0.214 0.000 0.981 257 V HN 0.451 nan 8.190 nan 0.000 0.480 258 Y N 2.407 122.593 120.300 -0.190 0.000 2.618 258 Y HA 0.390 4.942 4.550 0.002 0.000 0.326 258 Y C 1.004 176.808 175.900 -0.160 0.000 1.168 258 Y CA -0.705 57.294 58.100 -0.168 0.000 1.269 258 Y CB 1.285 39.614 38.460 -0.217 0.000 1.388 258 Y HN 0.418 nan 8.280 nan 0.000 0.528 259 L N 1.068 122.353 121.223 0.103 0.000 2.109 259 L HA -0.110 4.231 4.340 0.002 0.000 0.207 259 L C 2.555 179.437 176.870 0.020 0.000 1.086 259 L CA 1.126 55.989 54.840 0.039 0.000 0.760 259 L CB -0.245 41.859 42.059 0.076 0.000 0.910 259 L HN 0.727 nan 8.230 nan 0.000 0.437 260 R N -0.643 119.881 120.500 0.041 0.000 2.211 260 R HA -0.214 4.127 4.340 0.002 0.000 0.240 260 R C 1.116 177.404 176.300 -0.020 0.000 1.144 260 R CA 1.913 58.024 56.100 0.018 0.000 0.992 260 R CB -0.591 29.712 30.300 0.006 0.000 0.869 260 R HN 0.344 nan 8.270 nan 0.000 0.462 261 D N 0.399 120.754 120.400 -0.075 0.000 2.323 261 D HA -0.046 4.596 4.640 0.002 0.000 0.209 261 D C 1.462 177.629 176.300 -0.222 0.000 0.973 261 D CA 1.347 55.229 54.000 -0.196 0.000 0.874 261 D CB 0.759 41.305 40.800 -0.424 0.000 0.930 261 D HN 0.371 nan 8.370 nan 0.000 0.521 262 V N -3.899 115.927 119.914 -0.146 0.000 3.337 262 V HA 0.750 4.871 4.120 0.002 0.000 0.307 262 V C 0.126 176.203 176.094 -0.028 0.000 1.505 262 V CA -0.113 62.136 62.300 -0.086 0.000 1.072 262 V CB 0.188 31.952 31.823 -0.098 0.000 0.929 262 V HN 0.012 nan 8.190 nan 0.000 0.455 263 A N 0.562 123.376 122.820 -0.009 0.000 2.604 263 A HA 0.718 5.040 4.320 0.002 0.000 0.295 263 A C -1.060 176.541 177.584 0.028 0.000 1.067 263 A CA -0.656 51.393 52.037 0.019 0.000 0.683 263 A CB 1.778 20.801 19.000 0.038 0.000 1.281 263 A HN 0.299 nan 8.150 nan 0.000 0.407 264 K N 1.810 122.231 120.400 0.034 0.000 2.293 264 K HA 0.574 4.895 4.320 0.002 0.000 0.267 264 K C -1.365 175.249 176.600 0.023 0.000 1.010 264 K CA -0.359 55.945 56.287 0.028 0.000 0.875 264 K CB 1.219 33.736 32.500 0.028 0.000 1.106 264 K HN 0.427 nan 8.250 nan 0.000 0.450 265 V N 6.180 126.099 119.914 0.007 0.000 2.408 265 V HA 0.118 4.239 4.120 0.002 0.000 0.267 265 V C -0.406 175.645 176.094 -0.071 0.000 1.047 265 V CA -0.090 62.184 62.300 -0.042 0.000 0.937 265 V CB 0.823 32.598 31.823 -0.081 0.000 0.999 265 V HN 0.872 nan 8.190 nan 0.000 0.472 266 Q N 4.908 124.675 119.800 -0.055 0.000 2.315 266 Q HA 0.635 4.977 4.340 0.002 0.000 0.273 266 Q C -1.047 174.942 176.000 -0.020 0.000 1.053 266 Q CA -0.904 54.877 55.803 -0.037 0.000 0.817 266 Q CB 2.230 30.962 28.738 -0.011 0.000 1.326 266 Q HN 0.520 nan 8.270 nan 0.000 0.423 267 I N 1.841 122.405 120.570 -0.011 0.000 2.692 267 I HA 0.402 4.574 4.170 0.002 0.000 0.284 267 I C 0.614 176.711 176.117 -0.034 0.000 1.159 267 I CA 0.625 61.915 61.300 -0.016 0.000 1.423 267 I CB 0.660 38.643 38.000 -0.028 0.000 1.380 267 I HN 0.914 nan 8.210 nan 0.000 0.580 268 G N 6.216 114.986 108.800 -0.050 0.000 2.749 268 G HA2 0.640 4.602 3.960 0.002 0.000 0.300 268 G HA3 0.640 4.602 3.960 0.002 0.000 0.300 268 G C -3.119 171.764 174.900 -0.029 0.000 1.352 268 G CA -0.832 44.252 45.100 -0.026 0.000 0.789 268 G HN 0.322 nan 8.290 nan 0.000 0.509 269 P HA 0.306 nan 4.420 nan 0.000 0.297 269 P C -0.659 176.655 177.300 0.023 0.000 1.342 269 P CA -0.457 62.647 63.100 0.007 0.000 0.801 269 P CB 1.508 33.214 31.700 0.011 0.000 0.920 270 E N 4.677 124.897 120.200 0.034 0.000 2.366 270 E HA 0.058 4.409 4.350 0.002 0.000 0.266 270 E C 0.257 176.891 176.600 0.056 0.000 1.015 270 E CA -0.512 55.919 56.400 0.052 0.000 0.906 270 E CB 0.284 30.026 29.700 0.070 0.000 0.979 270 E HN 0.459 nan 8.360 nan 0.000 0.443 271 M N 5.182 124.819 119.600 0.062 0.000 2.303 271 M HA -0.185 4.296 4.480 0.002 0.000 0.491 271 M C -0.655 175.683 176.300 0.064 0.000 1.485 271 M CA 1.008 56.348 55.300 0.066 0.000 0.779 271 M CB 0.261 32.913 32.600 0.085 0.000 2.006 271 M HN 0.478 nan 8.290 nan 0.000 0.535 272 R N 5.442 125.970 120.500 0.048 0.000 2.490 272 R HA 0.212 4.553 4.340 0.002 0.000 0.280 272 R C 0.732 177.059 176.300 0.045 0.000 1.077 272 R CA -0.103 56.022 56.100 0.041 0.000 1.065 272 R CB 0.422 30.737 30.300 0.024 0.000 1.003 272 R HN 0.765 nan 8.270 nan 0.000 0.470 273 R N 0.646 121.177 120.500 0.051 0.000 2.469 273 R HA 0.248 4.589 4.340 0.002 0.000 0.250 273 R C 0.191 176.520 176.300 0.048 0.000 0.909 273 R CA -0.045 56.090 56.100 0.060 0.000 1.050 273 R CB 1.117 31.470 30.300 0.087 0.000 1.256 273 R HN 0.608 nan 8.270 nan 0.000 0.550 274 G N 2.191 111.014 108.800 0.039 0.000 2.608 274 G HA2 0.493 4.454 3.960 0.002 0.000 0.285 274 G HA3 0.493 4.454 3.960 0.002 0.000 0.285 274 G C -1.022 173.896 174.900 0.030 0.000 1.407 274 G CA -0.671 44.450 45.100 0.035 0.000 1.276 274 G HN 0.065 nan 8.290 nan 0.000 0.587 275 I N 1.703 122.286 120.570 0.021 0.000 2.354 275 I HA 0.705 4.876 4.170 0.002 0.000 0.292 275 I C 0.490 176.626 176.117 0.031 0.000 0.989 275 I CA -0.877 60.432 61.300 0.014 0.000 1.188 275 I CB 2.070 40.065 38.000 -0.007 0.000 1.342 275 I HN 0.539 nan 8.210 nan 0.000 0.457 276 A N 5.331 128.173 122.820 0.037 0.000 2.355 276 A HA 0.821 5.142 4.320 0.002 0.000 0.324 276 A C -0.721 176.811 177.584 -0.085 0.000 1.117 276 A CA -0.449 51.632 52.037 0.072 0.000 0.785 276 A CB 1.833 20.957 19.000 0.207 0.000 1.254 276 A HN 0.816 nan 8.150 nan 0.000 0.453 277 E N 0.979 121.024 120.200 -0.257 0.000 2.390 277 E HA 0.617 4.968 4.350 0.002 0.000 0.277 277 E C -2.179 174.008 176.600 -0.688 0.000 0.939 277 E CA -0.619 55.567 56.400 -0.357 0.000 0.769 277 E CB 1.954 31.536 29.700 -0.197 0.000 1.251 277 E HN 0.673 nan 8.360 nan 0.000 0.450 278 L N 4.072 124.999 121.223 -0.494 0.000 2.376 278 L HA 0.543 4.884 4.340 0.002 0.000 0.275 278 L C -0.577 176.165 176.870 -0.213 0.000 0.987 278 L CA -0.195 54.370 54.840 -0.458 0.000 0.828 278 L CB 0.767 42.593 42.059 -0.389 0.000 1.249 278 L HN 0.936 nan 8.230 nan 0.000 0.409 279 N N 2.222 120.835 118.700 -0.145 0.000 5.495 279 N HA -0.261 4.480 4.740 0.002 0.000 0.335 279 N C 0.880 176.346 175.510 -0.074 0.000 0.914 279 N CA 0.889 53.893 53.050 -0.076 0.000 1.149 279 N CB -0.457 37.999 38.487 -0.052 0.000 0.791 279 N HN 0.902 nan 8.380 nan 0.000 0.517 280 G N -0.421 108.349 108.800 -0.050 0.000 2.422 280 G HA2 -0.244 3.718 3.960 0.002 0.000 0.218 280 G HA3 -0.244 3.718 3.960 0.002 0.000 0.218 280 G C 1.033 175.903 174.900 -0.050 0.000 1.146 280 G CA 1.811 46.884 45.100 -0.045 0.000 0.769 280 G HN 0.636 nan 8.290 nan 0.000 0.547 281 E N 0.053 120.222 120.200 -0.051 0.000 2.045 281 E HA 0.207 4.559 4.350 0.002 0.000 0.212 281 E C 1.521 178.086 176.600 -0.057 0.000 1.039 281 E CA 1.554 57.925 56.400 -0.048 0.000 0.860 281 E CB -0.448 29.225 29.700 -0.045 0.000 0.776 281 E HN 0.753 nan 8.360 nan 0.000 0.467 282 G N -0.427 108.324 108.800 -0.082 0.000 2.497 282 G HA2 -0.003 3.959 3.960 0.002 0.000 0.686 282 G HA3 -0.003 3.959 3.960 0.002 0.000 0.686 282 G C -1.287 173.557 174.900 -0.093 0.000 1.288 282 G CA -0.417 44.628 45.100 -0.091 0.000 0.899 282 G HN 0.330 nan 8.290 nan 0.000 0.608 283 E N -2.013 118.130 120.200 -0.094 0.000 1.584 283 E HA 0.049 4.400 4.350 0.002 0.000 0.331 283 E C -0.239 176.320 176.600 -0.069 0.000 1.658 283 E CA 1.435 57.791 56.400 -0.074 0.000 1.227 283 E CB -0.639 29.035 29.700 -0.044 0.000 0.584 283 E HN 1.777 nan 8.360 nan 0.000 0.347 284 V N 2.566 122.430 119.914 -0.084 0.000 3.077 284 V HA 0.779 4.901 4.120 0.002 0.000 0.299 284 V C -0.252 175.833 176.094 -0.015 0.000 1.276 284 V CA -0.313 61.955 62.300 -0.054 0.000 0.993 284 V CB 2.136 33.908 31.823 -0.085 0.000 1.076 284 V HN 0.779 nan 8.190 nan 0.000 0.434 285 A N 2.055 124.890 122.820 0.024 0.000 2.282 285 A HA 1.032 5.353 4.320 0.002 0.000 0.319 285 A C 0.380 177.999 177.584 0.059 0.000 1.121 285 A CA 0.398 52.462 52.037 0.044 0.000 0.836 285 A CB 1.464 20.487 19.000 0.039 0.000 1.146 285 A HN 1.762 nan 8.150 nan 0.000 0.494 286 G N -1.447 107.358 108.800 0.009 0.000 2.500 286 G HA2 0.688 4.649 3.960 0.002 0.000 0.299 286 G HA3 0.688 4.649 3.960 0.002 0.000 0.299 286 G C -0.478 174.212 174.900 -0.350 0.000 1.242 286 G CA 0.182 45.195 45.100 -0.145 0.000 0.859 286 G HN 1.864 nan 8.290 nan 0.000 0.481 287 G N -1.595 106.722 108.800 -0.805 0.000 2.702 287 G HA2 0.664 4.626 3.960 0.002 0.000 0.296 287 G HA3 0.664 4.626 3.960 0.002 0.000 0.296 287 G C -1.328 173.169 174.900 -0.671 0.000 1.463 287 G CA 0.305 45.022 45.100 -0.638 0.000 0.890 287 G HN 1.773 nan 8.290 nan 0.000 0.534 288 V N 0.568 120.210 119.914 -0.453 0.000 2.713 288 V HA 0.861 4.982 4.120 0.002 0.000 0.307 288 V C -0.599 175.293 176.094 -0.337 0.000 1.052 288 V CA -0.645 61.386 62.300 -0.448 0.000 0.967 288 V CB 1.645 33.051 31.823 -0.696 0.000 1.019 288 V HN 0.686 nan 8.190 nan 0.000 0.459 289 V N 6.648 126.426 119.914 -0.226 0.000 2.483 289 V HA 0.555 4.676 4.120 0.002 0.000 0.295 289 V C -0.022 175.928 176.094 -0.240 0.000 1.035 289 V CA -0.409 61.809 62.300 -0.136 0.000 0.896 289 V CB 1.519 33.380 31.823 0.063 0.000 0.986 289 V HN 0.801 nan 8.190 nan 0.000 0.447 290 I N 5.052 125.484 120.570 -0.229 0.000 2.509 290 I HA 0.387 4.559 4.170 0.002 0.000 0.293 290 I C -0.775 175.284 176.117 -0.096 0.000 1.020 290 I CA -0.735 60.431 61.300 -0.224 0.000 1.088 290 I CB 2.052 39.863 38.000 -0.315 0.000 1.267 290 I HN 0.301 nan 8.210 nan 0.000 0.430 291 L N 6.525 127.722 121.223 -0.043 0.000 2.261 291 L HA 0.318 4.659 4.340 0.002 0.000 0.289 291 L C 0.395 177.262 176.870 -0.005 0.000 1.059 291 L CA -0.358 54.473 54.840 -0.016 0.000 0.816 291 L CB 0.831 42.892 42.059 0.004 0.000 1.191 291 L HN 0.687 nan 8.230 nan 0.000 0.431 292 R N 3.859 124.355 120.500 -0.005 0.000 2.543 292 R HA -0.034 4.307 4.340 0.002 0.000 0.348 292 R C -0.039 176.272 176.300 0.019 0.000 0.981 292 R CA 0.273 56.382 56.100 0.015 0.000 1.019 292 R CB -0.204 30.113 30.300 0.029 0.000 0.944 292 R HN 0.784 nan 8.270 nan 0.000 0.425 293 S N 2.448 118.152 115.700 0.007 0.000 4.466 293 S HA -0.173 4.298 4.470 0.002 0.000 0.529 293 S C 0.476 175.074 174.600 -0.004 0.000 1.031 293 S CA 1.463 59.657 58.200 -0.009 0.000 0.906 293 S CB -0.233 62.937 63.200 -0.051 0.000 1.279 293 S HN 0.949 nan 8.310 nan 0.000 0.417 294 G N 3.305 112.097 108.800 -0.012 0.000 2.686 294 G HA2 -0.171 3.790 3.960 0.002 0.000 0.211 294 G HA3 -0.171 3.790 3.960 0.002 0.000 0.211 294 G C -0.570 174.315 174.900 -0.026 0.000 0.829 294 G CA 0.377 45.464 45.100 -0.023 0.000 0.993 294 G HN 0.812 nan 8.290 nan 0.000 0.330 295 K N 1.204 121.585 120.400 -0.033 0.000 2.474 295 K HA 0.045 4.366 4.320 0.002 0.000 0.313 295 K C 0.110 176.686 176.600 -0.041 0.000 1.204 295 K CA -0.657 55.605 56.287 -0.042 0.000 1.122 295 K CB 0.361 32.843 32.500 -0.031 0.000 1.407 295 K HN 0.854 nan 8.250 nan 0.000 0.450 296 N N 2.335 121.001 118.700 -0.057 0.000 1.981 296 N HA -0.207 4.535 4.740 0.002 0.000 0.289 296 N C 0.832 176.324 175.510 -0.031 0.000 1.371 296 N CA 1.064 54.084 53.050 -0.051 0.000 0.932 296 N CB 0.357 38.802 38.487 -0.071 0.000 1.309 296 N HN 0.659 nan 8.380 nan 0.000 0.487 297 A N 3.284 126.097 122.820 -0.011 0.000 1.958 297 A HA -0.283 4.038 4.320 0.002 0.000 0.221 297 A C 2.252 179.840 177.584 0.007 0.000 1.178 297 A CA 1.436 53.478 52.037 0.008 0.000 0.642 297 A CB -0.455 18.567 19.000 0.038 0.000 0.816 297 A HN 0.649 nan 8.150 nan 0.000 0.453 298 R N 0.016 120.517 120.500 0.002 0.000 2.094 298 R HA -0.222 4.120 4.340 0.002 0.000 0.239 298 R C 2.104 178.390 176.300 -0.023 0.000 1.137 298 R CA 2.348 58.447 56.100 -0.002 0.000 0.943 298 R CB -0.617 29.676 30.300 -0.011 0.000 0.850 298 R HN 0.624 nan 8.270 nan 0.000 0.433 299 E N 0.115 120.294 120.200 -0.035 0.000 2.077 299 E HA -0.106 4.245 4.350 0.002 0.000 0.193 299 E C 2.014 178.583 176.600 -0.051 0.000 0.989 299 E CA 1.571 57.944 56.400 -0.045 0.000 0.800 299 E CB -0.412 29.258 29.700 -0.051 0.000 0.746 299 E HN 0.154 nan 8.360 nan 0.000 0.452 300 V N 1.023 120.909 119.914 -0.045 0.000 2.407 300 V HA -0.254 3.868 4.120 0.002 0.000 0.248 300 V C 2.429 178.476 176.094 -0.078 0.000 1.055 300 V CA 1.874 64.143 62.300 -0.053 0.000 1.049 300 V CB -0.482 31.319 31.823 -0.036 0.000 0.662 300 V HN 0.333 nan 8.190 nan 0.000 0.455 301 I N 0.341 120.868 120.570 -0.071 0.000 2.252 301 I HA -0.211 3.961 4.170 0.002 0.000 0.245 301 I C 2.718 178.729 176.117 -0.178 0.000 1.102 301 I CA 1.386 62.603 61.300 -0.138 0.000 1.385 301 I CB -0.810 37.159 38.000 -0.052 0.000 1.064 301 I HN 0.293 nan 8.210 nan 0.000 0.414 302 A N 1.330 124.087 122.820 -0.106 0.000 1.865 302 A HA -0.232 4.090 4.320 0.002 0.000 0.217 302 A C 2.606 180.126 177.584 -0.107 0.000 1.191 302 A CA 2.290 54.270 52.037 -0.094 0.000 0.623 302 A CB -1.023 17.940 19.000 -0.061 0.000 0.826 302 A HN 0.441 nan 8.150 nan 0.000 0.444 303 A N -0.862 121.900 122.820 -0.097 0.000 1.940 303 A HA -0.026 4.295 4.320 0.002 0.000 0.219 303 A C 2.254 179.766 177.584 -0.121 0.000 1.176 303 A CA 1.920 53.902 52.037 -0.092 0.000 0.631 303 A CB -0.923 18.030 19.000 -0.077 0.000 0.814 303 A HN 0.423 nan 8.150 nan 0.000 0.446 304 V N -0.102 119.712 119.914 -0.166 0.000 2.307 304 V HA -0.254 3.867 4.120 0.002 0.000 0.245 304 V C 2.451 178.398 176.094 -0.245 0.000 1.045 304 V CA 2.355 64.524 62.300 -0.218 0.000 1.024 304 V CB -0.590 31.047 31.823 -0.310 0.000 0.651 304 V HN 0.557 nan 8.190 nan 0.000 0.449 305 K N -0.349 119.889 120.400 -0.270 0.000 2.097 305 K HA -0.211 4.110 4.320 0.002 0.000 0.206 305 K C 1.945 178.471 176.600 -0.123 0.000 1.049 305 K CA 1.662 57.819 56.287 -0.217 0.000 0.933 305 K CB -0.273 32.115 32.500 -0.188 0.000 0.717 305 K HN 0.416 nan 8.250 nan 0.000 0.442 306 D N 1.080 121.419 120.400 -0.103 0.000 2.097 306 D HA -0.164 4.478 4.640 0.002 0.000 0.195 306 D C 1.807 178.066 176.300 -0.068 0.000 0.989 306 D CA 1.316 55.275 54.000 -0.069 0.000 0.827 306 D CB 0.111 40.876 40.800 -0.059 0.000 0.966 306 D HN -0.098 nan 8.370 nan 0.000 0.456 307 K N 0.063 120.411 120.400 -0.086 0.000 2.001 307 K HA -0.102 4.219 4.320 0.002 0.000 0.214 307 K C 2.281 178.834 176.600 -0.079 0.000 1.050 307 K CA 1.196 57.433 56.287 -0.084 0.000 0.934 307 K CB -0.598 31.839 32.500 -0.105 0.000 0.718 307 K HN 0.179 nan 8.250 nan 0.000 0.443 308 L N 0.419 121.580 121.223 -0.103 0.000 1.990 308 L HA -0.250 4.091 4.340 0.002 0.000 0.213 308 L C 2.566 179.411 176.870 -0.041 0.000 1.072 308 L CA 1.876 56.662 54.840 -0.089 0.000 0.755 308 L CB -0.730 41.262 42.059 -0.112 0.000 0.889 308 L HN 0.354 nan 8.230 nan 0.000 0.432 309 E N 0.388 120.566 120.200 -0.037 0.000 2.070 309 E HA -0.230 4.122 4.350 0.002 0.000 0.197 309 E C 1.914 178.511 176.600 -0.006 0.000 1.004 309 E CA 2.545 58.936 56.400 -0.015 0.000 0.805 309 E CB -0.395 29.295 29.700 -0.017 0.000 0.744 309 E HN 0.421 nan 8.360 nan 0.000 0.451 310 T N 0.948 115.493 114.554 -0.014 0.000 2.788 310 T HA -0.077 4.274 4.350 0.002 0.000 0.268 310 T C 1.938 176.648 174.700 0.016 0.000 1.044 310 T CA 1.383 63.481 62.100 -0.002 0.000 1.139 310 T CB -0.264 68.597 68.868 -0.011 0.000 0.867 310 T HN 0.121 nan 8.240 nan 0.000 0.454 311 L N 0.466 121.699 121.223 0.016 0.000 2.109 311 L HA -0.012 4.330 4.340 0.002 0.000 0.207 311 L C 2.633 179.552 176.870 0.081 0.000 1.086 311 L CA 1.121 56.000 54.840 0.064 0.000 0.760 311 L CB -0.502 41.588 42.059 0.051 0.000 0.910 311 L HN 0.208 nan 8.230 nan 0.000 0.437 312 K N -0.354 120.074 120.400 0.046 0.000 2.293 312 K HA -0.221 4.100 4.320 0.002 0.000 0.204 312 K C 2.329 178.950 176.600 0.035 0.000 1.045 312 K CA 1.480 57.791 56.287 0.040 0.000 0.933 312 K CB -0.208 32.308 32.500 0.028 0.000 0.736 312 K HN 0.198 nan 8.250 nan 0.000 0.463 313 S N 0.497 116.219 115.700 0.036 0.000 2.368 313 S HA -0.133 4.338 4.470 0.002 0.000 0.225 313 S C 1.956 176.571 174.600 0.026 0.000 1.030 313 S CA 1.737 59.954 58.200 0.029 0.000 0.999 313 S CB -0.053 63.164 63.200 0.029 0.000 0.844 313 S HN 0.231 nan 8.310 nan 0.000 0.459 314 S N 1.124 116.852 115.700 0.046 0.000 2.406 314 S HA 0.194 4.665 4.470 0.002 0.000 0.228 314 S C 0.751 175.319 174.600 -0.054 0.000 1.020 314 S CA 0.083 58.297 58.200 0.023 0.000 0.965 314 S CB -0.498 62.770 63.200 0.113 0.000 0.798 314 S HN 0.476 nan 8.310 nan 0.000 0.488 315 L N 2.586 123.790 121.223 -0.032 0.000 2.605 315 L HA -0.021 4.321 4.340 0.002 0.000 0.296 315 L C -1.984 174.825 176.870 -0.101 0.000 1.255 315 L CA -0.997 53.792 54.840 -0.085 0.000 0.879 315 L CB -0.296 41.750 42.059 -0.022 0.000 1.124 315 L HN 0.094 nan 8.230 nan 0.000 0.507 316 P HA 0.018 nan 4.420 nan 0.000 0.274 316 P C -0.866 176.421 177.300 -0.021 0.000 1.264 316 P CA -0.347 62.673 63.100 -0.133 0.000 0.795 316 P CB 0.423 31.844 31.700 -0.465 0.000 1.064 317 E N -0.235 120.032 120.200 0.113 0.000 2.180 317 E HA 0.438 4.790 4.350 0.002 0.000 0.283 317 E C 0.855 177.545 176.600 0.150 0.000 1.061 317 E CA 0.863 57.330 56.400 0.112 0.000 0.861 317 E CB -0.618 29.140 29.700 0.096 0.000 1.056 317 E HN 0.676 nan 8.360 nan 0.000 0.407 318 G N 2.097 110.947 108.800 0.085 0.000 2.164 318 G HA2 -0.174 3.787 3.960 0.002 0.000 0.212 318 G HA3 -0.174 3.787 3.960 0.002 0.000 0.212 318 G C -0.264 174.679 174.900 0.072 0.000 1.031 318 G CA -0.000 45.147 45.100 0.079 0.000 0.730 318 G HN 0.751 nan 8.290 nan 0.000 0.501 319 V N -2.013 117.927 119.914 0.043 0.000 2.531 319 V HA 0.909 5.030 4.120 0.002 0.000 0.301 319 V C -0.263 175.855 176.094 0.040 0.000 1.034 319 V CA -0.649 61.670 62.300 0.031 0.000 0.865 319 V CB 1.725 33.539 31.823 -0.015 0.000 0.995 319 V HN 0.703 nan 8.190 nan 0.000 0.424 320 E N 5.531 125.765 120.200 0.056 0.000 2.199 320 E HA 0.597 4.948 4.350 0.002 0.000 0.269 320 E C -0.941 175.718 176.600 0.097 0.000 0.899 320 E CA -1.074 55.366 56.400 0.067 0.000 0.772 320 E CB 2.323 32.060 29.700 0.062 0.000 1.155 320 E HN 0.590 nan 8.360 nan 0.000 0.408 321 I N 3.826 124.456 120.570 0.099 0.000 2.278 321 I HA 0.063 4.235 4.170 0.002 0.000 0.296 321 I C 0.394 176.606 176.117 0.157 0.000 1.121 321 I CA -0.685 60.701 61.300 0.143 0.000 1.267 321 I CB 0.097 38.133 38.000 0.059 0.000 1.447 321 I HN 0.475 nan 8.210 nan 0.000 0.509 322 V N 5.076 125.098 119.914 0.180 0.000 2.385 322 V HA 0.422 4.543 4.120 0.002 0.000 0.269 322 V C 0.746 176.949 176.094 0.181 0.000 1.043 322 V CA -0.382 62.012 62.300 0.156 0.000 0.906 322 V CB 1.115 33.012 31.823 0.123 0.000 0.995 322 V HN 0.868 nan 8.190 nan 0.000 0.467 323 T N 2.720 117.367 114.554 0.155 0.000 2.916 323 T HA 0.207 4.559 4.350 0.002 0.000 0.303 323 T C 0.754 175.494 174.700 0.066 0.000 1.025 323 T CA 0.591 62.738 62.100 0.079 0.000 1.142 323 T CB 0.834 69.787 68.868 0.142 0.000 0.947 323 T HN 0.912 nan 8.240 nan 0.000 0.544 324 T N 2.552 117.109 114.554 0.005 0.000 3.010 324 T HA 0.228 4.579 4.350 0.002 0.000 0.257 324 T C -0.681 174.071 174.700 0.088 0.000 1.020 324 T CA -0.039 62.118 62.100 0.094 0.000 0.938 324 T CB -0.306 68.635 68.868 0.122 0.000 1.049 324 T HN 0.787 nan 8.240 nan 0.000 0.522 325 Y N 1.043 121.247 120.300 -0.159 0.000 2.465 325 Y HA 0.409 4.961 4.550 0.002 0.000 0.323 325 Y C -2.245 173.612 175.900 -0.072 0.000 1.191 325 Y CA -1.276 56.762 58.100 -0.104 0.000 1.082 325 Y CB 1.663 40.050 38.460 -0.121 0.000 1.334 325 Y HN -0.023 nan 8.280 nan 0.000 0.449 326 D N 3.997 124.514 120.400 0.195 0.000 2.411 326 D HA 0.197 4.839 4.640 0.002 0.000 0.239 326 D C 0.475 176.916 176.300 0.235 0.000 1.307 326 D CA -0.441 53.784 54.000 0.375 0.000 0.930 326 D CB 0.867 41.842 40.800 0.291 0.000 1.395 326 D HN 0.574 nan 8.370 nan 0.000 0.536 327 R N 1.545 122.307 120.500 0.436 0.000 2.204 327 R HA -0.180 4.161 4.340 0.002 0.000 0.253 327 R C 1.675 178.064 176.300 0.149 0.000 1.172 327 R CA 2.175 58.465 56.100 0.317 0.000 0.994 327 R CB -0.524 29.991 30.300 0.358 0.000 0.874 327 R HN 0.317 nan 8.270 nan 0.000 0.462 328 S N -0.369 115.415 115.700 0.140 0.000 2.387 328 S HA -0.259 4.212 4.470 0.002 0.000 0.230 328 S C 1.804 176.435 174.600 0.052 0.000 1.035 328 S CA 1.742 59.990 58.200 0.079 0.000 1.014 328 S CB -0.176 63.064 63.200 0.067 0.000 0.836 328 S HN 0.612 nan 8.310 nan 0.000 0.466 329 Q N -0.345 119.483 119.800 0.047 0.000 2.050 329 Q HA -0.087 4.254 4.340 0.002 0.000 0.202 329 Q C 2.214 178.221 176.000 0.012 0.000 0.980 329 Q CA 1.575 57.391 55.803 0.021 0.000 0.840 329 Q CB -0.320 28.421 28.738 0.005 0.000 0.898 329 Q HN 0.510 nan 8.270 nan 0.000 0.424 330 L N 0.646 121.873 121.223 0.006 0.000 2.141 330 L HA -0.157 4.184 4.340 0.002 0.000 0.209 330 L C 1.864 178.746 176.870 0.021 0.000 1.094 330 L CA 1.444 56.289 54.840 0.009 0.000 0.763 330 L CB -0.398 41.667 42.059 0.009 0.000 0.908 330 L HN 0.191 nan 8.230 nan 0.000 0.437 331 I N -0.207 120.381 120.570 0.030 0.000 2.202 331 I HA -0.217 3.954 4.170 0.002 0.000 0.242 331 I C 2.182 178.310 176.117 0.017 0.000 1.091 331 I CA 1.110 62.425 61.300 0.024 0.000 1.368 331 I CB -1.453 36.563 38.000 0.027 0.000 1.058 331 I HN 0.277 nan 8.210 nan 0.000 0.410 332 D N 0.878 121.289 120.400 0.018 0.000 2.078 332 D HA -0.152 4.490 4.640 0.002 0.000 0.193 332 D C 2.322 178.632 176.300 0.017 0.000 0.990 332 D CA 1.161 55.171 54.000 0.015 0.000 0.827 332 D CB -0.314 40.496 40.800 0.017 0.000 0.975 332 D HN 0.244 nan 8.370 nan 0.000 0.451 333 R N 0.820 121.330 120.500 0.017 0.000 2.112 333 R HA -0.162 4.180 4.340 0.002 0.000 0.242 333 R C 2.335 178.648 176.300 0.021 0.000 1.137 333 R CA 1.761 57.872 56.100 0.018 0.000 0.944 333 R CB -0.440 29.868 30.300 0.013 0.000 0.857 333 R HN 0.148 nan 8.270 nan 0.000 0.435 334 A N 0.639 123.471 122.820 0.021 0.000 1.898 334 A HA -0.144 4.177 4.320 0.002 0.000 0.216 334 A C 2.091 179.691 177.584 0.028 0.000 1.181 334 A CA 1.151 53.202 52.037 0.024 0.000 0.620 334 A CB -0.349 18.664 19.000 0.022 0.000 0.819 334 A HN 0.233 nan 8.150 nan 0.000 0.442 335 I N 0.484 121.067 120.570 0.023 0.000 2.353 335 I HA -0.139 4.032 4.170 0.002 0.000 0.248 335 I C 1.228 177.362 176.117 0.029 0.000 1.119 335 I CA 1.447 62.761 61.300 0.022 0.000 1.417 335 I CB -0.431 37.574 38.000 0.008 0.000 1.078 335 I HN 0.256 nan 8.210 nan 0.000 0.421 336 D N -0.284 120.132 120.400 0.027 0.000 2.178 336 D HA -0.196 4.445 4.640 0.002 0.000 0.202 336 D C 1.913 178.237 176.300 0.040 0.000 0.974 336 D CA 1.170 55.188 54.000 0.031 0.000 0.841 336 D CB -0.537 40.279 40.800 0.027 0.000 0.953 336 D HN 0.488 nan 8.370 nan 0.000 0.478 337 N N 0.198 118.922 118.700 0.040 0.000 2.043 337 N HA -0.130 4.612 4.740 0.002 0.000 0.193 337 N C 1.688 177.232 175.510 0.057 0.000 1.037 337 N CA 0.765 53.843 53.050 0.048 0.000 0.851 337 N CB -0.052 38.461 38.487 0.044 0.000 1.027 337 N HN -0.020 nan 8.380 nan 0.000 0.422 338 L N 0.253 121.511 121.223 0.058 0.000 2.291 338 L HA 0.034 4.376 4.340 0.002 0.000 0.214 338 L C 1.938 178.852 176.870 0.072 0.000 1.120 338 L CA 0.989 55.871 54.840 0.070 0.000 0.799 338 L CB -0.810 41.294 42.059 0.075 0.000 0.925 338 L HN 0.310 nan 8.230 nan 0.000 0.446 339 S N -0.169 115.568 115.700 0.062 0.000 2.382 339 S HA -0.099 4.373 4.470 0.002 0.000 0.228 339 S C 1.889 176.527 174.600 0.063 0.000 1.027 339 S CA 1.176 59.411 58.200 0.059 0.000 0.991 339 S CB -0.191 63.037 63.200 0.046 0.000 0.823 339 S HN 0.606 nan 8.310 nan 0.000 0.469 340 G N 1.612 110.451 108.800 0.065 0.000 2.396 340 G HA2 -0.123 3.839 3.960 0.002 0.000 0.214 340 G HA3 -0.123 3.839 3.960 0.002 0.000 0.214 340 G C 1.386 176.338 174.900 0.086 0.000 1.166 340 G CA 0.383 45.526 45.100 0.073 0.000 0.793 340 G HN 0.297 nan 8.290 nan 0.000 0.533 341 K N 0.543 120.993 120.400 0.083 0.000 2.063 341 K HA 0.017 4.338 4.320 0.002 0.000 0.208 341 K C 2.501 179.159 176.600 0.096 0.000 1.048 341 K CA 0.877 57.217 56.287 0.088 0.000 0.928 341 K CB -0.465 32.086 32.500 0.084 0.000 0.713 341 K HN 0.363 nan 8.250 nan 0.000 0.442 342 L N 1.042 122.322 121.223 0.095 0.000 1.994 342 L HA -0.229 4.112 4.340 0.002 0.000 0.208 342 L C 2.650 179.605 176.870 0.141 0.000 1.071 342 L CA 1.133 56.033 54.840 0.100 0.000 0.745 342 L CB -0.770 41.339 42.059 0.083 0.000 0.892 342 L HN 0.209 nan 8.230 nan 0.000 0.431 343 L N -0.623 120.685 121.223 0.142 0.000 2.012 343 L HA -0.202 4.139 4.340 0.002 0.000 0.210 343 L C 2.468 179.557 176.870 0.365 0.000 1.073 343 L CA 1.940 56.923 54.840 0.239 0.000 0.748 343 L CB -1.209 40.938 42.059 0.147 0.000 0.891 343 L HN 0.259 nan 8.230 nan 0.000 0.431 344 E N 0.099 120.417 120.200 0.197 0.000 2.219 344 E HA -0.325 4.026 4.350 0.002 0.000 0.198 344 E C 1.979 178.629 176.600 0.084 0.000 0.998 344 E CA 1.725 58.200 56.400 0.125 0.000 0.818 344 E CB -0.023 29.731 29.700 0.089 0.000 0.741 344 E HN 0.759 nan 8.360 nan 0.000 0.477 345 E N -0.199 120.072 120.200 0.117 0.000 2.112 345 E HA -0.102 4.250 4.350 0.002 0.000 0.190 345 E C 1.911 178.554 176.600 0.073 0.000 0.979 345 E CA 1.070 57.517 56.400 0.078 0.000 0.814 345 E CB -0.649 29.102 29.700 0.086 0.000 0.762 345 E HN 0.425 nan 8.360 nan 0.000 0.460 346 F N 0.940 120.890 119.950 0.001 0.000 2.102 346 F HA -0.118 4.410 4.527 0.002 0.000 0.298 346 F C 1.996 177.788 175.800 -0.014 0.000 1.105 346 F CA 1.357 59.352 58.000 -0.010 0.000 1.239 346 F CB -0.609 38.386 39.000 -0.007 0.000 0.991 346 F HN 0.116 nan 8.300 nan 0.000 0.474 347 I N 0.730 120.619 120.570 -1.135 0.000 2.226 347 I HA -0.172 3.999 4.170 0.002 0.000 0.245 347 I C 2.042 177.883 176.117 -0.460 0.000 1.100 347 I CA 1.549 62.203 61.300 -1.076 0.000 1.374 347 I CB -0.816 36.818 38.000 -0.609 0.000 1.057 347 I HN 0.197 nan 8.210 nan 0.000 0.413 348 V N 1.217 120.979 119.914 -0.255 0.000 2.287 348 V HA -0.263 3.859 4.120 0.002 0.000 0.248 348 V C 2.812 178.817 176.094 -0.147 0.000 1.053 348 V CA 1.841 64.052 62.300 -0.147 0.000 1.027 348 V CB -0.540 31.238 31.823 -0.075 0.000 0.646 348 V HN 0.355 nan 8.190 nan 0.000 0.447 349 V N -0.089 119.736 119.914 -0.149 0.000 2.295 349 V HA -0.264 3.858 4.120 0.002 0.000 0.246 349 V C 2.661 178.668 176.094 -0.145 0.000 1.049 349 V CA 2.058 64.285 62.300 -0.122 0.000 1.024 349 V CB -0.970 30.809 31.823 -0.072 0.000 0.648 349 V HN 0.582 nan 8.190 nan 0.000 0.447 350 A N -0.484 122.206 122.820 -0.216 0.000 1.883 350 A HA -0.198 4.123 4.320 0.002 0.000 0.217 350 A C 2.411 179.905 177.584 -0.151 0.000 1.186 350 A CA 2.260 54.180 52.037 -0.195 0.000 0.624 350 A CB -0.823 17.992 19.000 -0.309 0.000 0.822 350 A HN 0.320 nan 8.150 nan 0.000 0.444 351 V N -0.395 119.418 119.914 -0.168 0.000 2.287 351 V HA -0.253 3.869 4.120 0.002 0.000 0.248 351 V C 2.615 178.677 176.094 -0.053 0.000 1.053 351 V CA 2.136 64.371 62.300 -0.108 0.000 1.027 351 V CB -0.645 31.116 31.823 -0.103 0.000 0.646 351 V HN 0.390 nan 8.190 nan 0.000 0.447 352 V N -0.512 119.363 119.914 -0.066 0.000 2.343 352 V HA -0.309 3.812 4.120 0.002 0.000 0.247 352 V C 2.608 178.689 176.094 -0.021 0.000 1.051 352 V CA 2.123 64.394 62.300 -0.049 0.000 1.036 352 V CB -0.815 30.924 31.823 -0.140 0.000 0.654 352 V HN 0.854 nan 8.190 nan 0.000 0.451 353 C N 1.058 120.323 119.300 -0.059 0.000 2.413 353 C HA -0.170 4.291 4.460 0.002 0.000 0.277 353 C C 3.072 178.097 174.990 0.058 0.000 1.228 353 C CA 1.056 60.061 59.018 -0.022 0.000 1.731 353 C CB -1.321 26.382 27.740 -0.062 0.000 2.042 353 C HN 0.558 nan 8.230 nan 0.000 0.468 354 A N 0.569 123.394 122.820 0.009 0.000 1.986 354 A HA -0.071 4.251 4.320 0.002 0.000 0.220 354 A C 2.288 179.904 177.584 0.054 0.000 1.171 354 A CA 2.059 54.085 52.037 -0.019 0.000 0.640 354 A CB -0.735 18.202 19.000 -0.105 0.000 0.811 354 A HN 0.757 nan 8.150 nan 0.000 0.451 355 L N -2.847 118.473 121.223 0.161 0.000 2.240 355 L HA -0.019 4.322 4.340 0.002 0.000 0.211 355 L C 2.203 179.296 176.870 0.372 0.000 1.106 355 L CA 0.744 55.764 54.840 0.301 0.000 0.793 355 L CB -0.300 41.953 42.059 0.325 0.000 0.927 355 L HN 0.353 nan 8.230 nan 0.000 0.446 356 F N -0.850 119.156 119.950 0.094 0.000 2.374 356 F HA 0.053 4.581 4.527 0.002 0.000 0.291 356 F C 1.507 177.353 175.800 0.076 0.000 1.084 356 F CA 0.576 58.607 58.000 0.052 0.000 1.413 356 F CB 0.233 39.227 39.000 -0.011 0.000 1.099 356 F HN -0.097 nan 8.300 nan 0.000 0.534 357 L N -1.261 120.118 121.223 0.261 0.000 2.910 357 L HA 0.119 4.460 4.340 0.002 0.000 0.252 357 L C -0.178 176.908 176.870 0.359 0.000 1.195 357 L CA -0.493 54.489 54.840 0.238 0.000 1.003 357 L CB -0.899 41.201 42.059 0.070 0.000 1.328 357 L HN 0.208 nan 8.230 nan 0.000 0.540 358 W N 3.998 125.377 121.300 0.132 0.000 7.006 358 W HA -0.314 4.347 4.660 0.002 0.000 0.427 358 W C 0.348 177.023 176.519 0.260 0.000 1.736 358 W CA 1.657 59.096 57.345 0.158 0.000 1.135 358 W CB -0.928 28.608 29.460 0.127 0.000 2.954 358 W HN 0.720 nan 8.180 nan 0.000 1.512 359 H N -1.022 118.006 119.070 -0.071 0.000 4.331 359 H HA -0.075 4.483 4.556 0.002 0.000 0.283 359 H C -1.572 173.789 175.328 0.056 0.000 0.655 359 H CA 0.853 56.852 56.048 -0.082 0.000 0.789 359 H CB -1.039 28.609 29.762 -0.189 0.000 1.167 359 H HN 0.290 nan 8.280 nan 0.000 0.316 360 V N 5.896 125.548 119.914 -0.436 0.000 3.177 360 V HA 0.169 4.290 4.120 0.002 0.000 0.287 360 V C 0.853 176.821 176.094 -0.210 0.000 1.465 360 V CA -0.606 61.483 62.300 -0.352 0.000 1.020 360 V CB 1.820 33.621 31.823 -0.037 0.000 1.152 360 V HN 0.821 nan 8.190 nan 0.000 0.448 361 R N 1.225 121.630 120.500 -0.160 0.000 2.395 361 R HA -0.058 4.283 4.340 0.002 0.000 0.203 361 R C 2.040 178.217 176.300 -0.205 0.000 1.076 361 R CA 0.956 56.940 56.100 -0.194 0.000 1.059 361 R CB -1.325 28.845 30.300 -0.215 0.000 0.860 361 R HN 0.885 nan 8.270 nan 0.000 0.476 362 S N 0.302 115.932 115.700 -0.117 0.000 2.420 362 S HA -0.216 4.255 4.470 0.002 0.000 0.237 362 S C 2.120 176.673 174.600 -0.078 0.000 1.023 362 S CA 1.019 59.166 58.200 -0.087 0.000 0.991 362 S CB -0.213 62.943 63.200 -0.074 0.000 0.792 362 S HN 0.380 nan 8.310 nan 0.000 0.488 363 A N 2.538 125.315 122.820 -0.072 0.000 1.869 363 A HA -0.085 4.236 4.320 0.002 0.000 0.218 363 A C 2.298 179.879 177.584 -0.004 0.000 1.203 363 A CA 1.856 53.896 52.037 0.006 0.000 0.638 363 A CB -1.051 17.965 19.000 0.027 0.000 0.831 363 A HN 0.515 nan 8.150 nan 0.000 0.450 364 L N -0.083 121.054 121.223 -0.144 0.000 2.291 364 L HA -0.065 4.276 4.340 0.002 0.000 0.214 364 L C 2.435 179.224 176.870 -0.135 0.000 1.120 364 L CA 1.452 56.181 54.840 -0.186 0.000 0.799 364 L CB -0.706 41.095 42.059 -0.431 0.000 0.925 364 L HN 0.283 nan 8.230 nan 0.000 0.446 365 V N -0.197 119.636 119.914 -0.134 0.000 2.323 365 V HA -0.160 3.962 4.120 0.002 0.000 0.244 365 V C 2.813 178.895 176.094 -0.020 0.000 1.041 365 V CA 1.345 63.610 62.300 -0.058 0.000 1.025 365 V CB -0.873 30.923 31.823 -0.046 0.000 0.656 365 V HN 0.474 nan 8.190 nan 0.000 0.451 366 A N 0.165 122.979 122.820 -0.009 0.000 1.877 366 A HA -0.183 4.138 4.320 0.002 0.000 0.216 366 A C 2.279 179.884 177.584 0.034 0.000 1.186 366 A CA 1.908 53.955 52.037 0.017 0.000 0.620 366 A CB -0.590 18.430 19.000 0.033 0.000 0.822 366 A HN 0.413 nan 8.150 nan 0.000 0.443 367 I N -0.514 120.086 120.570 0.050 0.000 2.454 367 I HA -0.144 4.027 4.170 0.002 0.000 0.254 367 I C 1.947 178.060 176.117 -0.006 0.000 1.156 367 I CA 1.325 62.637 61.300 0.020 0.000 1.433 367 I CB -0.334 37.647 38.000 -0.032 0.000 1.082 367 I HN 0.320 nan 8.210 nan 0.000 0.432 368 I N 0.952 121.519 120.570 -0.004 0.000 2.333 368 I HA -0.195 3.976 4.170 0.002 0.000 0.246 368 I C 2.644 178.759 176.117 -0.002 0.000 1.106 368 I CA 1.659 62.960 61.300 0.001 0.000 1.411 368 I CB -0.531 37.479 38.000 0.016 0.000 1.082 368 I HN 0.318 nan 8.210 nan 0.000 0.420 369 S N 1.235 116.933 115.700 -0.004 0.000 2.382 369 S HA -0.143 4.329 4.470 0.002 0.000 0.228 369 S C 2.041 176.627 174.600 -0.024 0.000 1.027 369 S CA 0.989 59.181 58.200 -0.013 0.000 0.991 369 S CB -0.823 62.369 63.200 -0.013 0.000 0.823 369 S HN 0.450 nan 8.310 nan 0.000 0.469 370 L N 1.508 122.721 121.223 -0.017 0.000 1.982 370 L HA 0.058 4.400 4.340 0.002 0.000 0.206 370 L C -0.513 176.331 176.870 -0.044 0.000 1.078 370 L CA 0.917 55.741 54.840 -0.027 0.000 0.749 370 L CB -2.045 40.012 42.059 -0.005 0.000 0.894 370 L HN 0.162 nan 8.230 nan 0.000 0.436 371 P HA -0.223 nan 4.420 nan 0.000 0.218 371 P C 1.939 179.219 177.300 -0.033 0.000 1.150 371 P CA 1.609 64.695 63.100 -0.023 0.000 0.841 371 P CB -0.016 31.686 31.700 0.003 0.000 0.784 372 L N -1.908 119.297 121.223 -0.030 0.000 2.044 372 L HA -0.041 4.301 4.340 0.002 0.000 0.205 372 L C 2.592 179.420 176.870 -0.070 0.000 1.075 372 L CA 2.056 56.875 54.840 -0.036 0.000 0.747 372 L CB -1.694 40.349 42.059 -0.027 0.000 0.903 372 L HN 0.084 nan 8.230 nan 0.000 0.435 373 G N 0.002 108.754 108.800 -0.079 0.000 2.471 373 G HA2 -0.231 3.730 3.960 0.002 0.000 0.219 373 G HA3 -0.231 3.730 3.960 0.002 0.000 0.219 373 G C 1.597 176.404 174.900 -0.154 0.000 1.125 373 G CA 0.439 45.478 45.100 -0.100 0.000 0.775 373 G HN 0.225 nan 8.290 nan 0.000 0.548 374 L N 0.228 121.338 121.223 -0.188 0.000 2.068 374 L HA 0.102 4.444 4.340 0.002 0.000 0.204 374 L C 2.560 179.140 176.870 -0.483 0.000 1.076 374 L CA 1.473 56.090 54.840 -0.371 0.000 0.753 374 L CB -0.665 41.224 42.059 -0.285 0.000 0.910 374 L HN 0.158 nan 8.230 nan 0.000 0.439 375 C N -0.330 118.852 119.300 -0.196 0.000 2.437 375 C HA -0.009 4.452 4.460 0.002 0.000 0.283 375 C C 2.691 177.677 174.990 -0.007 0.000 1.424 375 C CA 0.823 59.829 59.018 -0.020 0.000 1.782 375 C CB -1.142 26.648 27.740 0.083 0.000 1.833 375 C HN 0.704 nan 8.230 nan 0.000 0.532 376 I N 0.958 121.473 120.570 -0.091 0.000 2.480 376 I HA -0.001 4.170 4.170 0.002 0.000 0.251 376 I C 2.467 178.558 176.117 -0.042 0.000 1.124 376 I CA 1.322 62.573 61.300 -0.083 0.000 1.444 376 I CB -0.197 37.746 38.000 -0.094 0.000 1.098 376 I HN 0.167 nan 8.210 nan 0.000 0.428 377 A N 0.940 123.701 122.820 -0.098 0.000 1.933 377 A HA -0.178 4.143 4.320 0.002 0.000 0.218 377 A C 1.854 179.521 177.584 0.139 0.000 1.175 377 A CA 1.528 53.542 52.037 -0.038 0.000 0.628 377 A CB -0.939 17.963 19.000 -0.162 0.000 0.814 377 A HN 0.527 nan 8.150 nan 0.000 0.444 378 F N -0.394 119.608 119.950 0.087 0.000 2.456 378 F HA 0.141 4.669 4.527 0.002 0.000 0.298 378 F C 1.985 177.903 175.800 0.197 0.000 1.104 378 F CA -0.400 57.674 58.000 0.124 0.000 1.435 378 F CB -0.624 38.450 39.000 0.123 0.000 1.078 378 F HN 0.140 nan 8.300 nan 0.000 0.546 379 I N -1.096 119.677 120.570 0.339 0.000 2.286 379 I HA -0.191 3.980 4.170 0.002 0.000 0.245 379 I C 2.496 178.654 176.117 0.067 0.000 1.104 379 I CA 0.862 62.334 61.300 0.286 0.000 1.397 379 I CB -0.415 37.583 38.000 -0.004 0.000 1.072 379 I HN -0.013 nan 8.210 nan 0.000 0.417 380 V N 2.161 122.059 119.914 -0.028 0.000 2.346 380 V HA -0.250 3.871 4.120 0.002 0.000 0.244 380 V C 2.518 178.609 176.094 -0.006 0.000 1.037 380 V CA 1.908 64.115 62.300 -0.155 0.000 1.029 380 V CB -0.121 31.540 31.823 -0.269 0.000 0.663 380 V HN 0.479 nan 8.190 nan 0.000 0.454 381 M N -0.399 119.248 119.600 0.079 0.000 2.159 381 M HA -0.215 4.266 4.480 0.002 0.000 0.263 381 M C 2.199 178.594 176.300 0.158 0.000 1.063 381 M CA 2.747 58.097 55.300 0.083 0.000 1.110 381 M CB -1.477 31.203 32.600 0.132 0.000 1.374 381 M HN 0.601 nan 8.290 nan 0.000 0.411 382 H N 0.330 119.496 119.070 0.160 0.000 2.265 382 H HA -0.194 4.363 4.556 0.002 0.000 0.295 382 H C 1.583 177.049 175.328 0.231 0.000 1.084 382 H CA 2.724 58.883 56.048 0.186 0.000 1.261 382 H CB -0.143 29.798 29.762 0.298 0.000 1.360 382 H HN 0.377 nan 8.280 nan 0.000 0.487 383 F N 1.094 121.246 119.950 0.335 0.000 2.069 383 F HA -0.223 4.306 4.527 0.002 0.000 0.298 383 F C 2.593 178.430 175.800 0.062 0.000 1.113 383 F CA 1.833 59.963 58.000 0.217 0.000 1.214 383 F CB -0.827 38.239 39.000 0.111 0.000 0.978 383 F HN 0.513 nan 8.300 nan 0.000 0.474 384 Q N 0.545 120.443 119.800 0.163 0.000 2.282 384 Q HA 0.245 4.586 4.340 0.002 0.000 0.205 384 Q C 0.981 176.948 176.000 -0.054 0.000 0.915 384 Q CA 0.399 56.204 55.803 0.003 0.000 0.949 384 Q CB -0.456 28.223 28.738 -0.099 0.000 1.035 384 Q HN 0.291 nan 8.270 nan 0.000 0.484 385 G N 1.828 110.616 108.800 -0.021 0.000 2.144 385 G HA2 -0.248 3.714 3.960 0.002 0.000 0.251 385 G HA3 -0.248 3.714 3.960 0.002 0.000 0.251 385 G C 0.105 174.943 174.900 -0.104 0.000 0.780 385 G CA 0.545 45.598 45.100 -0.077 0.000 1.183 385 G HN 0.462 nan 8.290 nan 0.000 0.345 386 L N 0.333 121.493 121.223 -0.106 0.000 2.228 386 L HA 0.319 4.661 4.340 0.002 0.000 0.196 386 L C 1.559 178.378 176.870 -0.084 0.000 1.162 386 L CA 0.722 55.483 54.840 -0.131 0.000 0.801 386 L CB -0.083 41.887 42.059 -0.150 0.000 0.983 386 L HN 0.584 nan 8.230 nan 0.000 0.471 387 N N -3.302 115.364 118.700 -0.056 0.000 3.340 387 N HA 0.277 5.018 4.740 0.002 0.000 0.361 387 N C -1.162 174.324 175.510 -0.040 0.000 1.362 387 N CA 0.289 53.310 53.050 -0.048 0.000 0.857 387 N CB 0.700 39.169 38.487 -0.031 0.000 2.069 387 N HN 0.039 nan 8.380 nan 0.000 0.421 388 A N -0.219 122.582 122.820 -0.032 0.000 2.455 388 A HA 0.227 4.548 4.320 0.002 0.000 0.233 388 A C -0.348 177.230 177.584 -0.010 0.000 0.968 388 A CA -0.105 51.912 52.037 -0.033 0.000 1.189 388 A CB -0.993 17.954 19.000 -0.088 0.000 1.175 388 A HN 0.626 nan 8.150 nan 0.000 0.451 389 N N 0.359 119.059 118.700 0.000 0.000 2.174 389 N HA 0.088 4.829 4.740 0.002 0.000 0.215 389 N C 1.036 176.554 175.510 0.014 0.000 1.322 389 N CA 0.467 53.521 53.050 0.006 0.000 0.880 389 N CB -0.005 38.487 38.487 0.008 0.000 1.090 389 N HN 0.700 nan 8.380 nan 0.000 0.436 390 I N -3.520 117.055 120.570 0.008 0.000 2.335 390 I HA -0.223 3.948 4.170 0.002 0.000 0.251 390 I C 1.702 177.822 176.117 0.005 0.000 1.129 390 I CA 1.464 62.769 61.300 0.009 0.000 1.402 390 I CB -0.368 37.632 38.000 0.000 0.000 1.069 390 I HN 0.399 nan 8.210 nan 0.000 0.424 391 M N 0.768 120.359 119.600 -0.015 0.000 2.059 391 M HA -0.158 4.324 4.480 0.002 0.000 0.259 391 M C 2.656 178.978 176.300 0.038 0.000 1.072 391 M CA 2.097 57.375 55.300 -0.036 0.000 1.117 391 M CB -1.751 30.807 32.600 -0.069 0.000 1.320 391 M HN 0.562 nan 8.290 nan 0.000 0.408 392 S N 0.871 116.614 115.700 0.072 0.000 2.372 392 S HA -0.136 4.336 4.470 0.002 0.000 0.227 392 S C 2.030 176.710 174.600 0.133 0.000 1.044 392 S CA 1.295 59.566 58.200 0.120 0.000 1.050 392 S CB -0.284 62.984 63.200 0.114 0.000 0.901 392 S HN 0.449 nan 8.310 nan 0.000 0.447 393 L N 0.600 121.890 121.223 0.111 0.000 2.083 393 L HA -0.010 4.331 4.340 0.002 0.000 0.209 393 L C 2.875 179.807 176.870 0.104 0.000 1.083 393 L CA 1.239 56.155 54.840 0.127 0.000 0.752 393 L CB -1.289 40.825 42.059 0.091 0.000 0.899 393 L HN 0.497 nan 8.230 nan 0.000 0.433 394 G N -0.053 108.792 108.800 0.076 0.000 2.432 394 G HA2 -0.159 3.802 3.960 0.002 0.000 0.219 394 G HA3 -0.159 3.802 3.960 0.002 0.000 0.219 394 G C 1.564 176.518 174.900 0.089 0.000 1.135 394 G CA 0.737 45.880 45.100 0.071 0.000 0.767 394 G HN 0.480 nan 8.290 nan 0.000 0.550 395 G N 1.824 110.681 108.800 0.095 0.000 2.433 395 G HA2 -0.139 3.823 3.960 0.002 0.000 0.216 395 G HA3 -0.139 3.823 3.960 0.002 0.000 0.216 395 G C 1.791 176.727 174.900 0.060 0.000 1.186 395 G CA 1.287 46.440 45.100 0.088 0.000 0.779 395 G HN 0.647 nan 8.290 nan 0.000 0.543 396 I N 0.273 120.882 120.570 0.066 0.000 2.454 396 I HA 0.116 4.287 4.170 0.002 0.000 0.254 396 I C 2.714 178.850 176.117 0.032 0.000 1.156 396 I CA 1.130 62.444 61.300 0.024 0.000 1.433 396 I CB -0.774 37.231 38.000 0.008 0.000 1.082 396 I HN 0.146 nan 8.210 nan 0.000 0.432 397 A N 2.563 125.421 122.820 0.063 0.000 1.858 397 A HA -0.096 4.226 4.320 0.002 0.000 0.216 397 A C 2.370 179.992 177.584 0.062 0.000 1.190 397 A CA 2.214 54.292 52.037 0.067 0.000 0.617 397 A CB -0.958 18.091 19.000 0.081 0.000 0.827 397 A HN 0.640 nan 8.150 nan 0.000 0.443 398 I N -2.336 118.278 120.570 0.072 0.000 2.761 398 I HA 0.061 4.232 4.170 0.002 0.000 0.261 398 I C 2.147 178.294 176.117 0.051 0.000 1.198 398 I CA 1.644 62.991 61.300 0.077 0.000 1.482 398 I CB -1.382 36.686 38.000 0.113 0.000 1.100 398 I HN 0.206 nan 8.210 nan 0.000 0.445 399 A N 2.065 124.902 122.820 0.028 0.000 1.902 399 A HA -0.094 4.227 4.320 0.002 0.000 0.217 399 A C 2.453 180.031 177.584 -0.009 0.000 1.181 399 A CA 2.165 54.199 52.037 -0.005 0.000 0.623 399 A CB -1.150 17.832 19.000 -0.030 0.000 0.818 399 A HN 0.323 nan 8.150 nan 0.000 0.443 400 V N 0.014 119.928 119.914 0.000 0.000 2.370 400 V HA -0.274 3.847 4.120 0.002 0.000 0.252 400 V C 2.721 178.820 176.094 0.009 0.000 1.068 400 V CA 2.135 64.437 62.300 0.004 0.000 1.061 400 V CB -1.417 30.419 31.823 0.022 0.000 0.656 400 V HN 0.642 nan 8.190 nan 0.000 0.455 401 G N -1.037 107.776 108.800 0.021 0.000 2.448 401 G HA2 -0.005 3.957 3.960 0.002 0.000 0.218 401 G HA3 -0.005 3.957 3.960 0.002 0.000 0.218 401 G C 1.393 176.297 174.900 0.007 0.000 1.135 401 G CA 0.759 45.873 45.100 0.023 0.000 0.784 401 G HN 0.656 nan 8.290 nan 0.000 0.543 402 A N -0.201 122.617 122.820 -0.004 0.000 2.308 402 A HA 0.531 4.853 4.320 0.002 0.000 0.217 402 A C 1.810 179.362 177.584 -0.053 0.000 1.216 402 A CA -0.068 51.950 52.037 -0.031 0.000 0.864 402 A CB -0.050 18.938 19.000 -0.020 0.000 0.902 402 A HN 0.330 nan 8.150 nan 0.000 0.499 403 M N -0.254 119.322 119.600 -0.041 0.000 2.383 403 M HA 0.070 4.551 4.480 0.002 0.000 0.247 403 M C 0.936 177.212 176.300 -0.040 0.000 1.117 403 M CA 0.218 55.488 55.300 -0.050 0.000 0.995 403 M CB 0.579 33.151 32.600 -0.048 0.000 1.480 403 M HN 0.205 nan 8.290 nan 0.000 0.485 404 V N 0.431 120.326 119.914 -0.032 0.000 2.591 404 V HA -0.192 3.930 4.120 0.002 0.000 0.249 404 V C 2.042 178.126 176.094 -0.016 0.000 1.053 404 V CA 1.873 64.160 62.300 -0.022 0.000 1.068 404 V CB -0.836 30.978 31.823 -0.015 0.000 0.689 404 V HN 0.521 nan 8.190 nan 0.000 0.462 405 D N 2.075 122.460 120.400 -0.025 0.000 2.144 405 D HA -0.144 4.497 4.640 0.002 0.000 0.200 405 D C 1.980 178.283 176.300 0.005 0.000 0.978 405 D CA 1.739 55.739 54.000 0.000 0.000 0.833 405 D CB -0.332 40.427 40.800 -0.068 0.000 0.961 405 D HN 0.358 nan 8.370 nan 0.000 0.470 406 A N 0.892 123.700 122.820 -0.020 0.000 1.898 406 A HA 0.171 4.492 4.320 0.002 0.000 0.216 406 A C 2.455 180.041 177.584 0.003 0.000 1.181 406 A CA 2.332 54.363 52.037 -0.010 0.000 0.620 406 A CB -0.956 18.024 19.000 -0.033 0.000 0.819 406 A HN 0.393 nan 8.150 nan 0.000 0.442 407 A N -0.173 122.643 122.820 -0.007 0.000 1.872 407 A HA 0.035 4.356 4.320 0.002 0.000 0.214 407 A C 2.023 179.602 177.584 -0.007 0.000 1.187 407 A CA 1.433 53.467 52.037 -0.006 0.000 0.614 407 A CB -0.431 18.560 19.000 -0.015 0.000 0.826 407 A HN 0.371 nan 8.150 nan 0.000 0.442 408 I N 0.027 120.593 120.570 -0.008 0.000 2.142 408 I HA -0.170 4.001 4.170 0.002 0.000 0.240 408 I C 2.539 178.666 176.117 0.017 0.000 1.078 408 I CA 1.236 62.529 61.300 -0.012 0.000 1.343 408 I CB -1.286 36.711 38.000 -0.005 0.000 1.046 408 I HN 0.128 nan 8.210 nan 0.000 0.405 409 V N 1.124 121.068 119.914 0.050 0.000 2.427 409 V HA -0.298 3.824 4.120 0.002 0.000 0.248 409 V C 2.576 178.714 176.094 0.072 0.000 1.051 409 V CA 1.965 64.315 62.300 0.083 0.000 1.048 409 V CB -0.719 31.166 31.823 0.103 0.000 0.666 409 V HN 0.499 nan 8.190 nan 0.000 0.456 410 M N 0.589 120.220 119.600 0.050 0.000 2.065 410 M HA -0.154 4.328 4.480 0.002 0.000 0.259 410 M C 1.981 178.312 176.300 0.051 0.000 1.069 410 M CA 2.137 57.467 55.300 0.050 0.000 1.110 410 M CB -1.021 31.603 32.600 0.039 0.000 1.328 410 M HN 0.184 nan 8.290 nan 0.000 0.405 411 I N 0.234 120.820 120.570 0.027 0.000 2.127 411 I HA -0.280 3.891 4.170 0.002 0.000 0.241 411 I C 2.567 178.691 176.117 0.012 0.000 1.075 411 I CA 2.047 63.353 61.300 0.010 0.000 1.334 411 I CB -0.838 37.114 38.000 -0.080 0.000 1.040 411 I HN 0.513 nan 8.210 nan 0.000 0.405 412 E N 1.979 122.174 120.200 -0.007 0.000 2.068 412 E HA -0.332 4.019 4.350 0.002 0.000 0.207 412 E C 1.875 178.521 176.600 0.076 0.000 1.032 412 E CA 2.209 58.625 56.400 0.026 0.000 0.839 412 E CB -0.619 29.103 29.700 0.037 0.000 0.758 412 E HN 0.353 nan 8.360 nan 0.000 0.457 413 N N -0.395 118.353 118.700 0.079 0.000 2.244 413 N HA -0.110 4.632 4.740 0.002 0.000 0.183 413 N C 1.579 177.125 175.510 0.061 0.000 1.016 413 N CA 1.312 54.406 53.050 0.074 0.000 0.866 413 N CB -0.189 38.358 38.487 0.099 0.000 0.980 413 N HN 0.343 nan 8.380 nan 0.000 0.430 414 A N -0.053 122.819 122.820 0.087 0.000 1.897 414 A HA -0.118 4.203 4.320 0.002 0.000 0.215 414 A C 1.905 179.562 177.584 0.122 0.000 1.181 414 A CA 1.164 53.255 52.037 0.090 0.000 0.620 414 A CB -0.780 18.292 19.000 0.119 0.000 0.821 414 A HN 0.325 nan 8.150 nan 0.000 0.443 415 H N 0.529 119.608 119.070 0.014 0.000 2.353 415 H HA -0.109 4.448 4.556 0.002 0.000 0.300 415 H C 2.124 177.457 175.328 0.008 0.000 1.090 415 H CA 2.027 58.088 56.048 0.021 0.000 1.327 415 H CB -0.031 29.752 29.762 0.033 0.000 1.383 415 H HN 0.642 nan 8.280 nan 0.000 0.508 416 K N 0.113 120.581 120.400 0.113 0.000 2.155 416 K HA -0.052 4.269 4.320 0.002 0.000 0.203 416 K C 2.009 178.604 176.600 -0.009 0.000 1.052 416 K CA 1.078 57.386 56.287 0.035 0.000 0.948 416 K CB 0.071 32.573 32.500 0.003 0.000 0.728 416 K HN -0.067 nan 8.250 nan 0.000 0.448 417 R N 0.731 121.212 120.500 -0.032 0.000 2.090 417 R HA 0.135 4.477 4.340 0.002 0.000 0.228 417 R C 2.096 178.302 176.300 -0.156 0.000 1.110 417 R CA 0.854 56.885 56.100 -0.116 0.000 0.973 417 R CB -0.853 29.360 30.300 -0.146 0.000 0.869 417 R HN 0.368 nan 8.270 nan 0.000 0.440 418 L N 0.781 121.948 121.223 -0.093 0.000 2.017 418 L HA -0.168 4.174 4.340 0.002 0.000 0.208 418 L C 1.614 178.511 176.870 0.045 0.000 1.073 418 L CA 2.130 56.934 54.840 -0.059 0.000 0.745 418 L CB -0.691 41.332 42.059 -0.059 0.000 0.894 418 L HN 0.162 nan 8.230 nan 0.000 0.432 419 E N 0.337 120.558 120.200 0.035 0.000 2.160 419 E HA -0.228 4.124 4.350 0.002 0.000 0.195 419 E C 1.996 178.680 176.600 0.140 0.000 0.991 419 E CA 1.329 57.772 56.400 0.072 0.000 0.810 419 E CB 0.009 29.732 29.700 0.038 0.000 0.742 419 E HN 0.522 nan 8.360 nan 0.000 0.466 420 E N -0.653 119.646 120.200 0.165 0.000 2.204 420 E HA -0.190 4.162 4.350 0.002 0.000 0.195 420 E C 1.824 178.794 176.600 0.617 0.000 0.990 420 E CA 0.864 57.411 56.400 0.246 0.000 0.821 420 E CB -0.497 29.416 29.700 0.355 0.000 0.750 420 E HN 0.583 nan 8.360 nan 0.000 0.477 421 W N 0.545 121.862 121.300 0.030 0.000 2.942 421 W HA -0.001 4.659 4.660 0.001 0.000 0.263 421 W C 2.023 178.568 176.519 0.043 0.000 1.296 421 W CA -0.006 57.362 57.345 0.039 0.000 1.504 421 W CB 0.346 29.775 29.460 -0.051 0.000 1.096 421 W HN 0.142 nan 8.180 nan 0.000 0.639 422 Q N 0.250 120.209 119.800 0.266 0.000 2.378 422 Q HA -0.185 4.157 4.340 0.002 0.000 0.205 422 Q C 2.195 178.276 176.000 0.135 0.000 0.954 422 Q CA 1.359 57.251 55.803 0.149 0.000 0.901 422 Q CB -0.547 28.260 28.738 0.115 0.000 0.981 422 Q HN 0.300 nan 8.270 nan 0.000 0.483 423 H N -0.646 118.443 119.070 0.031 0.000 2.525 423 H HA 0.084 4.641 4.556 0.002 0.000 0.275 423 H C 0.280 175.570 175.328 -0.062 0.000 0.984 423 H CA 0.624 56.667 56.048 -0.008 0.000 1.264 423 H CB 0.165 29.932 29.762 0.009 0.000 1.432 423 H HN 0.463 nan 8.280 nan 0.000 0.549 434 T N -0.230 114.474 114.554 0.251 0.000 2.896 434 T HA -0.052 4.300 4.350 0.002 0.000 0.263 434 T C 1.340 176.074 174.700 0.056 0.000 1.050 434 T CA 1.932 64.111 62.100 0.132 0.000 1.140 434 T CB -0.007 68.915 68.868 0.089 0.000 0.877 434 T HN 0.476 nan 8.240 nan 0.000 0.457 435 R N -0.075 120.380 120.500 -0.075 0.000 2.148 435 R HA 0.086 4.427 4.340 0.002 0.000 0.223 435 R C 1.753 177.845 176.300 -0.345 0.000 1.088 435 R CA 1.004 56.978 56.100 -0.210 0.000 0.985 435 R CB -1.483 28.674 30.300 -0.238 0.000 0.880 435 R HN 0.515 nan 8.270 nan 0.000 0.451 436 W N 1.329 122.626 121.300 -0.004 0.000 2.584 436 W HA 0.165 4.826 4.660 0.002 0.000 0.264 436 W C 2.152 178.635 176.519 -0.060 0.000 1.264 436 W CA 0.300 57.620 57.345 -0.043 0.000 1.306 436 W CB -0.520 28.933 29.460 -0.013 0.000 1.110 436 W HN 0.182 nan 8.180 nan 0.000 0.606 437 Q N 1.658 121.561 119.800 0.171 0.000 2.079 437 Q HA -0.172 4.169 4.340 0.002 0.000 0.200 437 Q C 2.206 178.204 176.000 -0.003 0.000 0.974 437 Q CA 2.145 57.998 55.803 0.084 0.000 0.840 437 Q CB -0.604 28.187 28.738 0.089 0.000 0.898 437 Q HN 0.351 nan 8.270 nan 0.000 0.430 438 V N 0.981 120.859 119.914 -0.061 0.000 2.515 438 V HA -0.177 3.944 4.120 0.002 0.000 0.250 438 V C 2.217 178.172 176.094 -0.231 0.000 1.058 438 V CA 1.160 63.380 62.300 -0.132 0.000 1.064 438 V CB -0.513 31.228 31.823 -0.137 0.000 0.675 438 V HN 0.337 nan 8.190 nan 0.000 0.461 439 I N 1.725 122.132 120.570 -0.273 0.000 2.361 439 I HA -0.150 4.022 4.170 0.002 0.000 0.251 439 I C 2.619 178.671 176.117 -0.108 0.000 1.133 439 I CA 2.073 63.223 61.300 -0.250 0.000 1.413 439 I CB -2.327 35.555 38.000 -0.196 0.000 1.073 439 I HN 0.482 nan 8.210 nan 0.000 0.424 440 T N -0.203 114.322 114.554 -0.048 0.000 2.857 440 T HA -0.104 4.247 4.350 0.002 0.000 0.266 440 T C 1.495 176.180 174.700 -0.025 0.000 1.048 440 T CA 1.057 63.148 62.100 -0.014 0.000 1.139 440 T CB -0.382 68.494 68.868 0.013 0.000 0.874 440 T HN 0.213 nan 8.240 nan 0.000 0.455 441 D N 2.374 122.751 120.400 -0.038 0.000 2.133 441 D HA -0.059 4.582 4.640 0.002 0.000 0.195 441 D C 2.283 178.564 176.300 -0.031 0.000 0.997 441 D CA 1.555 55.537 54.000 -0.030 0.000 0.840 441 D CB -0.516 40.266 40.800 -0.031 0.000 0.947 441 D HN 0.549 nan 8.370 nan 0.000 0.452 442 A N 0.159 122.947 122.820 -0.054 0.000 2.123 442 A HA 0.023 4.344 4.320 0.002 0.000 0.214 442 A C 2.240 179.812 177.584 -0.020 0.000 1.152 442 A CA 0.637 52.648 52.037 -0.043 0.000 0.728 442 A CB -0.051 18.900 19.000 -0.082 0.000 0.814 442 A HN 0.089 nan 8.150 nan 0.000 0.464 443 S N -0.452 115.236 115.700 -0.019 0.000 2.481 443 S HA -0.046 4.425 4.470 0.002 0.000 0.231 443 S C 1.625 176.230 174.600 0.008 0.000 0.996 443 S CA 1.145 59.348 58.200 0.005 0.000 0.942 443 S CB -0.022 63.184 63.200 0.010 0.000 0.768 443 S HN 0.358 nan 8.310 nan 0.000 0.520 444 V N 1.463 121.375 119.914 -0.004 0.000 2.599 444 V HA 0.011 4.132 4.120 0.002 0.000 0.245 444 V C 2.367 178.457 176.094 -0.006 0.000 1.046 444 V CA 0.985 63.279 62.300 -0.009 0.000 1.065 444 V CB -0.334 31.479 31.823 -0.017 0.000 0.703 444 V HN 0.339 nan 8.190 nan 0.000 0.464 445 E N 0.064 120.266 120.200 0.003 0.000 2.204 445 E HA -0.161 4.190 4.350 0.002 0.000 0.195 445 E C 2.094 178.705 176.600 0.019 0.000 0.990 445 E CA 1.334 57.743 56.400 0.015 0.000 0.821 445 E CB -0.089 29.624 29.700 0.022 0.000 0.750 445 E HN 0.479 nan 8.360 nan 0.000 0.477 446 V N -0.146 119.783 119.914 0.026 0.000 3.649 446 V HA 0.119 4.240 4.120 0.002 0.000 0.275 446 V C 1.620 177.732 176.094 0.029 0.000 1.281 446 V CA 1.207 63.527 62.300 0.034 0.000 1.143 446 V CB 0.181 32.048 31.823 0.074 0.000 0.892 446 V HN 0.201 nan 8.190 nan 0.000 0.441 447 G N 0.592 109.404 108.800 0.020 0.000 2.496 447 G HA2 -0.019 3.943 3.960 0.002 0.000 0.214 447 G HA3 -0.019 3.943 3.960 0.002 0.000 0.214 447 G C -0.247 174.669 174.900 0.028 0.000 1.234 447 G CA 0.976 46.093 45.100 0.028 0.000 0.807 447 G HN 0.511 nan 8.290 nan 0.000 0.543 448 P HA -0.288 nan 4.420 nan 0.000 0.209 448 P C 2.217 179.502 177.300 -0.025 0.000 1.080 448 P CA 2.850 65.895 63.100 -0.092 0.000 0.971 448 P CB -0.368 31.265 31.700 -0.111 0.000 0.768 449 A N -1.331 121.473 122.820 -0.028 0.000 1.933 449 A HA -0.167 4.154 4.320 0.002 0.000 0.218 449 A C 2.334 179.952 177.584 0.057 0.000 1.175 449 A CA 1.599 53.631 52.037 -0.008 0.000 0.628 449 A CB -1.636 17.416 19.000 0.085 0.000 0.814 449 A HN 0.212 nan 8.150 nan 0.000 0.444 450 L N -1.344 119.919 121.223 0.066 0.000 1.956 450 L HA -0.213 4.128 4.340 0.002 0.000 0.216 450 L C 2.401 179.320 176.870 0.082 0.000 1.073 450 L CA 2.601 57.478 54.840 0.061 0.000 0.762 450 L CB -0.528 41.568 42.059 0.061 0.000 0.889 450 L HN 0.502 nan 8.230 nan 0.000 0.433 451 F N 0.456 120.376 119.950 -0.049 0.000 2.048 451 F HA -0.381 4.147 4.527 0.003 0.000 0.296 451 F C 2.244 178.003 175.800 -0.068 0.000 1.109 451 F CA 2.432 60.397 58.000 -0.057 0.000 1.214 451 F CB -0.336 38.627 39.000 -0.061 0.000 0.963 451 F HN 0.151 nan 8.300 nan 0.000 0.491 452 I N -0.509 120.314 120.570 0.423 0.000 2.614 452 I HA -0.249 3.922 4.170 0.002 0.000 0.258 452 I C 2.475 178.601 176.117 0.015 0.000 1.189 452 I CA 1.387 62.843 61.300 0.259 0.000 1.462 452 I CB -0.302 37.787 38.000 0.148 0.000 1.092 452 I HN 0.381 nan 8.210 nan 0.000 0.442 453 S N 0.523 116.219 115.700 -0.006 0.000 2.406 453 S HA -0.090 4.381 4.470 0.002 0.000 0.228 453 S C 1.956 176.501 174.600 -0.092 0.000 1.020 453 S CA 0.897 59.072 58.200 -0.041 0.000 0.965 453 S CB -0.158 63.024 63.200 -0.031 0.000 0.798 453 S HN 0.465 nan 8.310 nan 0.000 0.488 454 L N 0.455 121.591 121.223 -0.144 0.000 2.056 454 L HA -0.046 4.295 4.340 0.002 0.000 0.207 454 L C 2.461 179.216 176.870 -0.192 0.000 1.078 454 L CA 0.920 55.651 54.840 -0.182 0.000 0.749 454 L CB -0.530 41.383 42.059 -0.243 0.000 0.901 454 L HN 0.340 nan 8.230 nan 0.000 0.433 455 L N -0.040 121.037 121.223 -0.244 0.000 2.046 455 L HA -0.205 4.137 4.340 0.002 0.000 0.208 455 L C 2.286 179.090 176.870 -0.109 0.000 1.077 455 L CA 1.484 56.205 54.840 -0.197 0.000 0.747 455 L CB -0.297 41.645 42.059 -0.195 0.000 0.896 455 L HN 0.136 nan 8.230 nan 0.000 0.432 456 I N -1.142 119.379 120.570 -0.081 0.000 2.493 456 I HA -0.287 3.885 4.170 0.002 0.000 0.254 456 I C 2.187 178.278 176.117 -0.043 0.000 1.160 456 I CA 1.166 62.436 61.300 -0.051 0.000 1.445 456 I CB 0.079 38.059 38.000 -0.034 0.000 1.086 456 I HN 0.266 nan 8.210 nan 0.000 0.433 457 I N 0.607 121.144 120.570 -0.055 0.000 2.252 457 I HA -0.291 3.881 4.170 0.002 0.000 0.245 457 I C 2.687 178.803 176.117 -0.002 0.000 1.102 457 I CA 1.787 63.068 61.300 -0.032 0.000 1.385 457 I CB -0.601 37.370 38.000 -0.050 0.000 1.064 457 I HN 0.390 nan 8.210 nan 0.000 0.414 458 T N 0.268 114.798 114.554 -0.039 0.000 2.674 458 T HA -0.175 4.176 4.350 0.002 0.000 0.265 458 T C 1.884 176.579 174.700 -0.008 0.000 1.039 458 T CA 1.096 63.172 62.100 -0.040 0.000 1.150 458 T CB -0.556 68.252 68.868 -0.101 0.000 0.864 458 T HN 0.091 nan 8.240 nan 0.000 0.427 459 L N 2.591 123.797 121.223 -0.028 0.000 2.129 459 L HA -0.042 4.299 4.340 0.002 0.000 0.212 459 L C 3.085 179.950 176.870 -0.009 0.000 1.087 459 L CA 1.982 56.810 54.840 -0.020 0.000 0.757 459 L CB -1.015 41.028 42.059 -0.027 0.000 0.896 459 L HN 0.662 nan 8.230 nan 0.000 0.434 460 S N -1.921 113.775 115.700 -0.006 0.000 2.469 460 S HA -0.191 4.281 4.470 0.002 0.000 0.238 460 S C 1.944 176.491 174.600 -0.089 0.000 0.998 460 S CA 0.622 58.799 58.200 -0.039 0.000 0.957 460 S CB -0.878 62.296 63.200 -0.043 0.000 0.764 460 S HN 0.349 nan 8.310 nan 0.000 0.514 461 F N 1.907 121.735 119.950 -0.204 0.000 2.558 461 F HA 0.208 4.736 4.527 0.002 0.000 0.298 461 F C 1.989 177.486 175.800 -0.506 0.000 1.119 461 F CA 0.230 58.029 58.000 -0.335 0.000 1.451 461 F CB -0.160 38.616 39.000 -0.373 0.000 1.091 461 F HN 0.224 nan 8.300 nan 0.000 0.563 462 I N 1.975 122.426 120.570 -0.199 0.000 2.194 462 I HA -0.224 3.947 4.170 0.002 0.000 0.246 462 I C -0.898 175.137 176.117 -0.136 0.000 1.093 462 I CA 1.914 63.121 61.300 -0.156 0.000 1.355 462 I CB -1.843 36.181 38.000 0.040 0.000 1.046 462 I HN 0.009 nan 8.210 nan 0.000 0.413 463 P HA -0.188 nan 4.420 nan 0.000 0.217 463 P C 2.022 179.239 177.300 -0.138 0.000 1.148 463 P CA 1.526 64.558 63.100 -0.114 0.000 0.834 463 P CB -0.185 31.429 31.700 -0.144 0.000 0.783 464 I N -1.953 118.453 120.570 -0.274 0.000 2.286 464 I HA -0.187 3.984 4.170 0.002 0.000 0.248 464 I C 2.273 178.367 176.117 -0.039 0.000 1.115 464 I CA 1.345 62.491 61.300 -0.256 0.000 1.392 464 I CB -1.797 35.969 38.000 -0.390 0.000 1.065 464 I HN 0.002 nan 8.210 nan 0.000 0.418 465 F N 1.304 121.269 119.950 0.025 0.000 2.269 465 F HA -0.192 4.337 4.527 0.002 0.000 0.301 465 F C 2.594 178.423 175.800 0.048 0.000 1.082 465 F CA 1.009 59.032 58.000 0.037 0.000 1.360 465 F CB -0.669 38.315 39.000 -0.027 0.000 1.041 465 F HN 0.058 nan 8.300 nan 0.000 0.512 466 T N 0.877 115.543 114.554 0.188 0.000 2.708 466 T HA -0.151 4.201 4.350 0.002 0.000 0.266 466 T C 1.003 175.768 174.700 0.110 0.000 1.037 466 T CA 0.377 62.554 62.100 0.128 0.000 1.146 466 T CB -0.390 68.521 68.868 0.072 0.000 0.865 466 T HN 0.061 nan 8.240 nan 0.000 0.435 467 L N 2.194 123.467 121.223 0.083 0.000 2.559 467 L HA -0.007 4.335 4.340 0.002 0.000 0.282 467 L C 0.738 177.673 176.870 0.109 0.000 1.232 467 L CA 0.554 55.439 54.840 0.075 0.000 0.885 467 L CB 0.366 42.452 42.059 0.045 0.000 1.131 467 L HN 0.270 nan 8.230 nan 0.000 0.498 468 E N 3.057 123.312 120.200 0.091 0.000 4.017 468 E HA 0.241 4.593 4.350 0.002 0.000 0.205 468 E C 0.120 176.763 176.600 0.072 0.000 1.054 468 E CA -0.252 56.204 56.400 0.094 0.000 1.398 468 E CB 0.517 30.268 29.700 0.085 0.000 1.164 468 E HN 0.809 nan 8.360 nan 0.000 0.445 469 G N 0.420 109.264 108.800 0.073 0.000 2.510 469 G HA2 -0.041 3.921 3.960 0.002 0.000 0.280 469 G HA3 -0.041 3.921 3.960 0.002 0.000 0.280 469 G C 0.736 175.677 174.900 0.067 0.000 1.386 469 G CA 0.012 45.145 45.100 0.056 0.000 1.047 469 G HN 0.386 nan 8.290 nan 0.000 0.527 470 Q N -0.888 118.944 119.800 0.053 0.000 2.083 470 Q HA -0.089 4.252 4.340 0.002 0.000 0.198 470 Q C 2.008 178.056 176.000 0.079 0.000 0.969 470 Q CA 1.870 57.706 55.803 0.056 0.000 0.838 470 Q CB -0.436 28.322 28.738 0.034 0.000 0.900 470 Q HN 0.822 nan 8.270 nan 0.000 0.436 471 E N 1.138 121.389 120.200 0.085 0.000 2.051 471 E HA -0.151 4.201 4.350 0.002 0.000 0.192 471 E C 2.189 178.902 176.600 0.189 0.000 0.991 471 E CA 1.226 57.700 56.400 0.122 0.000 0.799 471 E CB -0.675 29.092 29.700 0.112 0.000 0.748 471 E HN 0.426 nan 8.360 nan 0.000 0.449 472 G N 1.476 110.376 108.800 0.166 0.000 2.469 472 G HA2 -0.279 3.682 3.960 0.002 0.000 0.219 472 G HA3 -0.279 3.682 3.960 0.002 0.000 0.219 472 G C 1.801 176.849 174.900 0.247 0.000 1.150 472 G CA 0.741 45.959 45.100 0.198 0.000 0.763 472 G HN 0.060 nan 8.290 nan 0.000 0.561 473 R N -0.191 120.423 120.500 0.190 0.000 2.189 473 R HA 0.102 4.444 4.340 0.002 0.000 0.218 473 R C 2.398 178.809 176.300 0.185 0.000 1.074 473 R CA 0.497 56.709 56.100 0.186 0.000 0.991 473 R CB -1.089 29.285 30.300 0.124 0.000 0.883 473 R HN 0.491 nan 8.270 nan 0.000 0.457 474 L N -0.551 120.773 121.223 0.168 0.000 2.141 474 L HA -0.011 4.331 4.340 0.002 0.000 0.209 474 L C 1.700 178.669 176.870 0.165 0.000 1.094 474 L CA 1.616 56.532 54.840 0.128 0.000 0.763 474 L CB -0.351 41.760 42.059 0.087 0.000 0.908 474 L HN -0.040 nan 8.230 nan 0.000 0.437 475 F N 0.209 120.252 119.950 0.155 0.000 2.530 475 F HA 0.288 4.817 4.527 0.002 0.000 0.292 475 F C 2.268 178.233 175.800 0.274 0.000 1.109 475 F CA 0.413 58.525 58.000 0.188 0.000 1.450 475 F CB -0.731 38.370 39.000 0.169 0.000 1.114 475 F HN 0.131 nan 8.300 nan 0.000 0.560 476 G N 1.516 110.652 108.800 0.560 0.000 2.606 476 G HA2 -0.310 3.651 3.960 0.002 0.000 0.221 476 G HA3 -0.310 3.651 3.960 0.002 0.000 0.221 476 G C -0.618 174.679 174.900 0.661 0.000 1.152 476 G CA 1.163 46.652 45.100 0.649 0.000 0.765 476 G HN 0.249 nan 8.290 nan 0.000 0.595 477 P HA -0.127 nan 4.420 nan 0.000 0.213 477 P C 2.151 179.645 177.300 0.324 0.000 1.170 477 P CA 0.772 64.055 63.100 0.305 0.000 0.902 477 P CB -0.276 31.517 31.700 0.154 0.000 0.789 478 L N -1.454 119.935 121.223 0.276 0.000 2.129 478 L HA -0.232 4.110 4.340 0.002 0.000 0.212 478 L C 2.111 179.146 176.870 0.276 0.000 1.087 478 L CA 1.874 56.863 54.840 0.248 0.000 0.757 478 L CB -0.641 41.530 42.059 0.188 0.000 0.896 478 L HN -0.053 nan 8.230 nan 0.000 0.434 479 A N -1.351 121.713 122.820 0.406 0.000 1.935 479 A HA -0.105 4.216 4.320 0.002 0.000 0.214 479 A C 1.926 179.686 177.584 0.293 0.000 1.178 479 A CA 0.619 52.755 52.037 0.165 0.000 0.640 479 A CB -0.699 18.486 19.000 0.309 0.000 0.825 479 A HN 0.384 nan 8.150 nan 0.000 0.447 480 F N 1.070 121.293 119.950 0.455 0.000 2.134 480 F HA -0.160 4.369 4.527 0.002 0.000 0.299 480 F C 2.742 178.693 175.800 0.251 0.000 1.097 480 F CA 2.110 60.318 58.000 0.346 0.000 1.264 480 F CB -0.286 38.818 39.000 0.172 0.000 1.001 480 F HN 0.181 nan 8.300 nan 0.000 0.479 481 T N -0.204 114.568 114.554 0.364 0.000 2.708 481 T HA -0.172 4.179 4.350 0.002 0.000 0.266 481 T C 1.976 176.755 174.700 0.133 0.000 1.037 481 T CA 1.202 63.442 62.100 0.234 0.000 1.146 481 T CB -0.183 68.799 68.868 0.190 0.000 0.865 481 T HN 0.156 nan 8.240 nan 0.000 0.435 482 K N 0.650 121.066 120.400 0.028 0.000 2.001 482 K HA -0.050 4.271 4.320 0.002 0.000 0.208 482 K C 2.687 179.207 176.600 -0.133 0.000 1.048 482 K CA 1.360 57.575 56.287 -0.121 0.000 0.932 482 K CB -0.640 31.658 32.500 -0.338 0.000 0.715 482 K HN 0.219 nan 8.250 nan 0.000 0.437 483 T N 0.604 115.072 114.554 -0.143 0.000 2.665 483 T HA -0.186 4.165 4.350 0.002 0.000 0.268 483 T C 1.747 176.404 174.700 -0.072 0.000 1.035 483 T CA 1.514 63.547 62.100 -0.112 0.000 1.151 483 T CB -0.329 68.560 68.868 0.035 0.000 0.862 483 T HN 0.232 nan 8.240 nan 0.000 0.438 484 Y N 0.535 120.846 120.300 0.019 0.000 2.395 484 Y HA 0.196 4.748 4.550 0.002 0.000 0.293 484 Y C 2.477 178.358 175.900 -0.030 0.000 1.123 484 Y CA 0.529 58.640 58.100 0.019 0.000 1.227 484 Y CB -0.168 38.341 38.460 0.081 0.000 1.012 484 Y HN 0.200 nan 8.280 nan 0.000 0.552 485 A N -0.714 122.160 122.820 0.091 0.000 2.016 485 A HA -0.117 4.204 4.320 0.002 0.000 0.217 485 A C 2.142 179.691 177.584 -0.057 0.000 1.162 485 A CA 1.077 53.111 52.037 -0.005 0.000 0.662 485 A CB -0.370 18.607 19.000 -0.039 0.000 0.812 485 A HN 0.259 nan 8.150 nan 0.000 0.450 486 M N -0.415 119.138 119.600 -0.078 0.000 2.098 486 M HA -0.037 4.444 4.480 0.002 0.000 0.262 486 M C 2.574 178.794 176.300 -0.134 0.000 1.072 486 M CA 1.566 56.800 55.300 -0.110 0.000 1.133 486 M CB -1.367 31.161 32.600 -0.119 0.000 1.344 486 M HN 0.459 nan 8.290 nan 0.000 0.414 487 A N 0.165 122.902 122.820 -0.139 0.000 1.883 487 A HA -0.105 4.217 4.320 0.002 0.000 0.217 487 A C 2.328 179.827 177.584 -0.142 0.000 1.186 487 A CA 2.190 54.131 52.037 -0.159 0.000 0.624 487 A CB -1.538 17.362 19.000 -0.167 0.000 0.822 487 A HN 0.551 nan 8.150 nan 0.000 0.444 488 G N -1.016 107.728 108.800 -0.094 0.000 2.443 488 G HA2 0.089 4.050 3.960 0.002 0.000 0.219 488 G HA3 0.089 4.050 3.960 0.002 0.000 0.219 488 G C 1.595 176.434 174.900 -0.102 0.000 1.131 488 G CA 1.228 46.279 45.100 -0.082 0.000 0.775 488 G HN 0.815 nan 8.290 nan 0.000 0.547 489 A N 0.940 123.692 122.820 -0.113 0.000 1.969 489 A HA 0.394 4.715 4.320 0.002 0.000 0.218 489 A C 2.728 180.221 177.584 -0.151 0.000 1.169 489 A CA 1.864 53.831 52.037 -0.116 0.000 0.635 489 A CB -0.488 18.446 19.000 -0.109 0.000 0.810 489 A HN 0.601 nan 8.150 nan 0.000 0.445 490 A N 0.013 122.703 122.820 -0.217 0.000 1.873 490 A HA 0.011 4.332 4.320 0.002 0.000 0.215 490 A C 2.135 179.535 177.584 -0.308 0.000 1.186 490 A CA 1.357 53.177 52.037 -0.363 0.000 0.616 490 A CB -0.572 18.102 19.000 -0.545 0.000 0.823 490 A HN 0.442 nan 8.150 nan 0.000 0.442 491 L N -0.513 120.592 121.223 -0.196 0.000 2.046 491 L HA -0.174 4.167 4.340 0.002 0.000 0.208 491 L C 2.634 179.476 176.870 -0.047 0.000 1.077 491 L CA 1.371 56.171 54.840 -0.068 0.000 0.747 491 L CB -0.732 41.300 42.059 -0.045 0.000 0.896 491 L HN 0.530 nan 8.230 nan 0.000 0.432 492 L N 0.415 121.596 121.223 -0.070 0.000 1.991 492 L HA -0.334 4.007 4.340 0.002 0.000 0.221 492 L C 2.760 179.608 176.870 -0.037 0.000 1.079 492 L CA 2.100 56.907 54.840 -0.054 0.000 0.778 492 L CB -0.401 41.617 42.059 -0.067 0.000 0.893 492 L HN 0.292 nan 8.230 nan 0.000 0.437 493 A N -0.002 122.787 122.820 -0.052 0.000 1.917 493 A HA -0.238 4.083 4.320 0.002 0.000 0.219 493 A C 2.011 179.606 177.584 0.017 0.000 1.182 493 A CA 1.996 54.017 52.037 -0.027 0.000 0.633 493 A CB -0.676 18.294 19.000 -0.051 0.000 0.819 493 A HN 0.548 nan 8.150 nan 0.000 0.448 494 I N -0.333 120.265 120.570 0.046 0.000 2.546 494 I HA -0.116 4.056 4.170 0.002 0.000 0.255 494 I C 2.444 178.585 176.117 0.039 0.000 1.163 494 I CA 1.290 62.643 61.300 0.087 0.000 1.457 494 I CB -1.009 37.098 38.000 0.178 0.000 1.092 494 I HN 0.308 nan 8.210 nan 0.000 0.434 495 V N -0.278 119.646 119.914 0.017 0.000 3.129 495 V HA -0.030 4.092 4.120 0.002 0.000 0.259 495 V C 2.252 178.348 176.094 0.003 0.000 1.116 495 V CA 0.833 63.134 62.300 0.001 0.000 1.127 495 V CB 0.120 31.937 31.823 -0.010 0.000 0.742 495 V HN 0.124 nan 8.190 nan 0.000 0.474 496 V N 1.456 121.375 119.914 0.009 0.000 2.407 496 V HA -0.184 3.937 4.120 0.002 0.000 0.248 496 V C 2.511 178.619 176.094 0.024 0.000 1.055 496 V CA 2.250 64.559 62.300 0.015 0.000 1.049 496 V CB -0.462 31.368 31.823 0.011 0.000 0.662 496 V HN 0.616 nan 8.190 nan 0.000 0.455 497 I N 0.310 120.894 120.570 0.023 0.000 2.118 497 I HA -0.176 3.995 4.170 0.002 0.000 0.241 497 I C 0.032 176.161 176.117 0.021 0.000 1.070 497 I CA 1.901 63.216 61.300 0.025 0.000 1.327 497 I CB -3.266 34.747 38.000 0.022 0.000 1.034 497 I HN 0.345 nan 8.210 nan 0.000 0.405 498 P HA -0.122 nan 4.420 nan 0.000 0.218 498 P C 2.172 179.476 177.300 0.007 0.000 1.146 498 P CA 1.515 64.609 63.100 -0.011 0.000 0.813 498 P CB -0.076 31.604 31.700 -0.035 0.000 0.778 499 I N -1.611 118.978 120.570 0.032 0.000 2.286 499 I HA -0.193 3.978 4.170 0.002 0.000 0.245 499 I C 2.110 178.300 176.117 0.122 0.000 1.104 499 I CA 1.118 62.465 61.300 0.078 0.000 1.397 499 I CB -0.753 37.300 38.000 0.088 0.000 1.072 499 I HN -0.136 nan 8.210 nan 0.000 0.417 500 L N -0.632 120.649 121.223 0.095 0.000 2.131 500 L HA -0.200 4.142 4.340 0.002 0.000 0.210 500 L C 2.405 179.332 176.870 0.095 0.000 1.092 500 L CA 1.108 56.015 54.840 0.110 0.000 0.759 500 L CB -0.629 41.480 42.059 0.083 0.000 0.903 500 L HN 0.235 nan 8.230 nan 0.000 0.435 501 M N 0.301 119.931 119.600 0.050 0.000 2.349 501 M HA 0.028 4.510 4.480 0.002 0.000 0.266 501 M C 2.250 178.528 176.300 -0.037 0.000 1.076 501 M CA 1.340 56.648 55.300 0.013 0.000 1.126 501 M CB -1.179 31.421 32.600 -0.000 0.000 1.392 501 M HN 0.206 nan 8.290 nan 0.000 0.440 502 G N -1.357 107.420 108.800 -0.038 0.000 2.402 502 G HA2 -0.134 3.827 3.960 0.002 0.000 0.216 502 G HA3 -0.134 3.827 3.960 0.002 0.000 0.216 502 G C 0.409 175.169 174.900 -0.233 0.000 1.162 502 G CA 0.518 45.533 45.100 -0.141 0.000 0.777 502 G HN 0.341 nan 8.290 nan 0.000 0.539 517 L N -0.501 120.622 121.223 -0.167 0.000 2.168 517 L HA 0.160 4.501 4.340 0.002 0.000 0.203 517 L C 1.384 177.776 176.870 -0.797 0.000 1.078 517 L CA 1.691 56.422 54.840 -0.181 0.000 0.780 517 L CB -2.178 39.921 42.059 0.067 0.000 0.939 517 L HN 0.080 nan 8.230 nan 0.000 0.451 518 N N 0.963 119.327 118.700 -0.560 0.000 2.417 518 N HA -0.186 4.555 4.740 0.002 0.000 0.187 518 N C 1.923 177.092 175.510 -0.570 0.000 1.027 518 N CA 0.995 53.673 53.050 -0.621 0.000 0.891 518 N CB -0.405 37.873 38.487 -0.348 0.000 0.956 518 N HN 0.401 nan 8.380 nan 0.000 0.442 519 R N 0.112 120.328 120.500 -0.473 0.000 2.100 519 R HA -0.013 4.328 4.340 0.002 0.000 0.220 519 R C 1.365 177.533 176.300 -0.220 0.000 1.091 519 R CA 0.656 56.591 56.100 -0.275 0.000 0.986 519 R CB -0.131 30.076 30.300 -0.155 0.000 0.888 519 R HN 0.335 nan 8.270 nan 0.000 0.444 520 F N -0.221 119.680 119.950 -0.080 0.000 2.546 520 F HA 0.024 4.553 4.527 0.003 0.000 0.298 520 F C 1.194 176.977 175.800 -0.028 0.000 1.120 520 F CA 0.507 58.476 58.000 -0.052 0.000 1.456 520 F CB -0.470 38.500 39.000 -0.051 0.000 1.088 520 F HN -0.049 nan 8.300 nan 0.000 0.572 521 L N 0.037 121.193 121.223 -0.112 0.000 2.202 521 L HA -0.017 4.324 4.340 0.002 0.000 0.205 521 L C 2.457 179.369 176.870 0.070 0.000 1.083 521 L CA 0.106 54.961 54.840 0.024 0.000 0.790 521 L CB -0.471 41.513 42.059 -0.125 0.000 0.942 521 L HN 0.078 nan 8.230 nan 0.000 0.452 522 I N 0.195 120.770 120.570 0.008 0.000 2.361 522 I HA -0.226 3.945 4.170 0.002 0.000 0.251 522 I C 2.395 178.609 176.117 0.162 0.000 1.133 522 I CA 1.449 62.819 61.300 0.118 0.000 1.413 522 I CB -1.183 36.797 38.000 -0.034 0.000 1.073 522 I HN 0.336 nan 8.210 nan 0.000 0.424 523 R N 0.529 121.076 120.500 0.079 0.000 2.280 523 R HA 0.019 4.360 4.340 0.002 0.000 0.207 523 R C 1.967 178.327 176.300 0.101 0.000 1.043 523 R CA 0.727 56.864 56.100 0.062 0.000 1.006 523 R CB -0.038 30.287 30.300 0.040 0.000 0.885 523 R HN 0.322 nan 8.270 nan 0.000 0.467 524 V N -1.045 118.960 119.914 0.151 0.000 3.307 524 V HA -0.072 4.050 4.120 0.002 0.000 0.253 524 V C 1.544 177.746 176.094 0.181 0.000 1.149 524 V CA 0.570 62.956 62.300 0.143 0.000 1.112 524 V CB -0.525 31.386 31.823 0.146 0.000 0.777 524 V HN 0.194 nan 8.190 nan 0.000 0.464 525 Y N 0.788 121.160 120.300 0.121 0.000 2.190 525 Y HA -0.055 4.496 4.550 0.002 0.000 0.290 525 Y C 2.815 178.763 175.900 0.080 0.000 1.115 525 Y CA 1.682 59.841 58.100 0.099 0.000 1.107 525 Y CB -0.244 38.251 38.460 0.057 0.000 1.033 525 Y HN 0.194 nan 8.280 nan 0.000 0.502 526 H N 0.446 119.495 119.070 -0.034 0.000 2.387 526 H HA -0.107 4.451 4.556 0.002 0.000 0.299 526 H C -0.766 174.448 175.328 -0.189 0.000 1.099 526 H CA 1.780 57.736 56.048 -0.153 0.000 1.315 526 H CB -1.617 28.114 29.762 -0.052 0.000 1.380 526 H HN 0.408 nan 8.280 nan 0.000 0.513 527 P HA -0.146 nan 4.420 nan 0.000 0.217 527 P C 1.932 179.156 177.300 -0.127 0.000 1.150 527 P CA 0.806 63.871 63.100 -0.059 0.000 0.832 527 P CB -0.008 31.672 31.700 -0.034 0.000 0.787 528 L N -0.146 120.974 121.223 -0.171 0.000 2.083 528 L HA -0.126 4.215 4.340 0.002 0.000 0.209 528 L C 2.385 179.041 176.870 -0.357 0.000 1.083 528 L CA 1.850 56.553 54.840 -0.228 0.000 0.752 528 L CB -1.767 40.195 42.059 -0.162 0.000 0.899 528 L HN -0.050 nan 8.230 nan 0.000 0.433 529 L N -2.269 118.671 121.223 -0.471 0.000 2.046 529 L HA -0.159 4.182 4.340 0.002 0.000 0.208 529 L C 2.271 178.992 176.870 -0.249 0.000 1.077 529 L CA 1.484 56.077 54.840 -0.411 0.000 0.747 529 L CB -1.888 39.908 42.059 -0.438 0.000 0.896 529 L HN 0.045 nan 8.230 nan 0.000 0.432 530 L N -0.133 120.983 121.223 -0.179 0.000 2.056 530 L HA -0.075 4.267 4.340 0.002 0.000 0.207 530 L C 2.732 179.507 176.870 -0.159 0.000 1.078 530 L CA 1.664 56.439 54.840 -0.109 0.000 0.749 530 L CB -1.272 40.758 42.059 -0.047 0.000 0.901 530 L HN 0.395 nan 8.230 nan 0.000 0.433 531 K N 0.042 120.318 120.400 -0.208 0.000 2.057 531 K HA -0.157 4.164 4.320 0.002 0.000 0.207 531 K C 2.103 178.556 176.600 -0.244 0.000 1.049 531 K CA 1.697 57.827 56.287 -0.262 0.000 0.931 531 K CB -0.049 32.352 32.500 -0.164 0.000 0.714 531 K HN 0.287 nan 8.250 nan 0.000 0.440 532 V N -0.469 119.305 119.914 -0.233 0.000 2.407 532 V HA -0.216 3.905 4.120 0.002 0.000 0.248 532 V C 2.046 178.060 176.094 -0.133 0.000 1.055 532 V CA 1.473 63.641 62.300 -0.221 0.000 1.049 532 V CB -0.733 30.778 31.823 -0.519 0.000 0.662 532 V HN 0.184 nan 8.190 nan 0.000 0.455 533 L N -0.471 120.659 121.223 -0.155 0.000 2.083 533 L HA -0.130 4.211 4.340 0.002 0.000 0.209 533 L C 2.896 179.679 176.870 -0.146 0.000 1.083 533 L CA 2.206 56.977 54.840 -0.116 0.000 0.752 533 L CB -1.261 40.734 42.059 -0.106 0.000 0.899 533 L HN 0.378 nan 8.230 nan 0.000 0.433 534 H N -0.969 117.867 119.070 -0.391 0.000 2.387 534 H HA -0.150 4.408 4.556 0.002 0.000 0.299 534 H C 0.108 175.199 175.328 -0.396 0.000 1.099 534 H CA 1.160 56.886 56.048 -0.537 0.000 1.315 534 H CB 0.158 29.310 29.762 -1.017 0.000 1.380 534 H HN 0.288 nan 8.280 nan 0.000 0.513 535 W N 1.148 122.485 121.300 0.062 0.000 2.313 535 W HA 0.235 4.897 4.660 0.003 0.000 0.315 535 W C -2.249 174.263 176.519 -0.011 0.000 0.917 535 W CA -2.665 54.690 57.345 0.016 0.000 1.626 535 W CB 0.246 29.709 29.460 0.006 0.000 1.574 535 W HN 0.175 nan 8.180 nan 0.000 0.395 536 P HA -0.157 nan 4.420 nan 0.000 0.212 536 P C 1.907 179.265 177.300 0.096 0.000 1.180 536 P CA 1.771 64.924 63.100 0.090 0.000 0.902 536 P CB 0.515 32.248 31.700 0.055 0.000 0.778 537 K N -0.241 120.214 120.400 0.092 0.000 2.152 537 K HA -0.134 4.187 4.320 0.002 0.000 0.206 537 K C 1.961 178.601 176.600 0.067 0.000 1.048 537 K CA 2.226 58.555 56.287 0.070 0.000 0.933 537 K CB -1.487 31.046 32.500 0.055 0.000 0.721 537 K HN 0.254 nan 8.250 nan 0.000 0.447 538 T N -2.131 112.473 114.554 0.082 0.000 2.622 538 T HA -0.224 4.127 4.350 0.002 0.000 0.266 538 T C 2.030 176.760 174.700 0.049 0.000 1.047 538 T CA 2.512 64.639 62.100 0.045 0.000 1.159 538 T CB -1.485 67.400 68.868 0.027 0.000 0.863 538 T HN 0.427 nan 8.240 nan 0.000 0.422 539 T N 1.796 116.393 114.554 0.071 0.000 2.653 539 T HA -0.205 4.147 4.350 0.002 0.000 0.268 539 T C 1.932 176.674 174.700 0.070 0.000 1.035 539 T CA 1.749 63.883 62.100 0.056 0.000 1.154 539 T CB -1.045 67.850 68.868 0.045 0.000 0.862 539 T HN 0.361 nan 8.240 nan 0.000 0.441 540 L N 1.284 122.556 121.223 0.081 0.000 1.976 540 L HA 0.124 4.465 4.340 0.002 0.000 0.209 540 L C 2.512 179.431 176.870 0.082 0.000 1.071 540 L CA 1.657 56.554 54.840 0.095 0.000 0.746 540 L CB -1.068 41.046 42.059 0.091 0.000 0.890 540 L HN 0.362 nan 8.230 nan 0.000 0.432 541 L N -1.094 120.163 121.223 0.058 0.000 2.131 541 L HA -0.179 4.162 4.340 0.002 0.000 0.210 541 L C 2.477 179.370 176.870 0.039 0.000 1.092 541 L CA 0.859 55.725 54.840 0.043 0.000 0.759 541 L CB -0.607 41.467 42.059 0.026 0.000 0.903 541 L HN 0.209 nan 8.230 nan 0.000 0.435 542 V N 0.074 120.009 119.914 0.034 0.000 2.358 542 V HA -0.262 3.859 4.120 0.002 0.000 0.246 542 V C 2.743 178.862 176.094 0.041 0.000 1.047 542 V CA 1.747 64.062 62.300 0.024 0.000 1.035 542 V CB -0.686 31.145 31.823 0.014 0.000 0.658 542 V HN 0.481 nan 8.190 nan 0.000 0.452 543 A N -0.016 122.844 122.820 0.067 0.000 1.933 543 A HA -0.102 4.220 4.320 0.002 0.000 0.218 543 A C 2.420 180.072 177.584 0.113 0.000 1.175 543 A CA 1.951 54.048 52.037 0.099 0.000 0.628 543 A CB -0.714 18.378 19.000 0.154 0.000 0.814 543 A HN 0.562 nan 8.150 nan 0.000 0.444 544 A N -0.163 122.715 122.820 0.097 0.000 1.933 544 A HA -0.040 4.282 4.320 0.002 0.000 0.218 544 A C 2.123 179.748 177.584 0.069 0.000 1.175 544 A CA 1.492 53.578 52.037 0.082 0.000 0.628 544 A CB -0.534 18.504 19.000 0.064 0.000 0.814 544 A HN 0.484 nan 8.150 nan 0.000 0.444 545 L N 0.299 121.556 121.223 0.056 0.000 2.109 545 L HA -0.124 4.218 4.340 0.002 0.000 0.207 545 L C 2.884 179.789 176.870 0.057 0.000 1.086 545 L CA 1.514 56.385 54.840 0.051 0.000 0.760 545 L CB -0.658 41.420 42.059 0.032 0.000 0.910 545 L HN 0.592 nan 8.230 nan 0.000 0.437 546 S N -0.923 114.801 115.700 0.040 0.000 2.453 546 S HA -0.086 4.386 4.470 0.002 0.000 0.231 546 S C 1.859 176.493 174.600 0.057 0.000 1.005 546 S CA 0.596 58.802 58.200 0.010 0.000 0.949 546 S CB -0.484 62.699 63.200 -0.028 0.000 0.774 546 S HN 0.164 nan 8.310 nan 0.000 0.510 547 V N 1.835 121.803 119.914 0.090 0.000 2.548 547 V HA -0.028 4.094 4.120 0.002 0.000 0.249 547 V C 2.334 178.502 176.094 0.124 0.000 1.055 547 V CA 1.405 63.769 62.300 0.107 0.000 1.065 547 V CB -0.593 31.286 31.823 0.094 0.000 0.681 547 V HN 0.578 nan 8.190 nan 0.000 0.462 548 L N -0.063 121.233 121.223 0.121 0.000 1.989 548 L HA -0.187 4.154 4.340 0.002 0.000 0.211 548 L C 2.469 179.477 176.870 0.230 0.000 1.071 548 L CA 2.817 57.744 54.840 0.146 0.000 0.749 548 L CB -1.066 41.066 42.059 0.121 0.000 0.890 548 L HN 0.286 nan 8.230 nan 0.000 0.431 549 T N -1.636 113.082 114.554 0.272 0.000 2.849 549 T HA -0.161 4.190 4.350 0.002 0.000 0.270 549 T C 1.730 176.859 174.700 0.714 0.000 1.066 549 T CA 1.374 63.771 62.100 0.496 0.000 1.130 549 T CB -0.272 68.827 68.868 0.385 0.000 0.864 549 T HN 0.250 nan 8.240 nan 0.000 0.481 550 V N 0.423 120.631 119.914 0.490 0.000 3.235 550 V HA 0.264 4.386 4.120 0.002 0.000 0.259 550 V C 1.979 178.109 176.094 0.060 0.000 1.133 550 V CA 0.746 63.262 62.300 0.359 0.000 1.128 550 V CB -0.082 31.890 31.823 0.249 0.000 0.757 550 V HN 0.512 nan 8.190 nan 0.000 0.469 551 L N -1.256 120.045 121.223 0.129 0.000 2.162 551 L HA -0.034 4.307 4.340 0.002 0.000 0.205 551 L C 2.155 179.085 176.870 0.101 0.000 1.086 551 L CA 1.634 56.525 54.840 0.084 0.000 0.778 551 L CB -0.399 41.726 42.059 0.109 0.000 0.928 551 L HN 0.602 nan 8.230 nan 0.000 0.446 552 W N 2.411 123.720 121.300 0.015 0.000 2.304 552 W HA -0.190 4.471 4.660 0.002 0.000 0.315 552 W C -1.062 175.466 176.519 0.015 0.000 1.233 552 W CA 1.853 59.219 57.345 0.035 0.000 1.261 552 W CB -2.090 27.417 29.460 0.077 0.000 1.150 552 W HN 0.125 nan 8.180 nan 0.000 0.494 553 P HA -0.244 nan 4.420 nan 0.000 0.213 553 P C 2.140 179.166 177.300 -0.456 0.000 1.170 553 P CA 2.633 65.070 63.100 -1.106 0.000 0.902 553 P CB -0.506 30.055 31.700 -1.898 0.000 0.789 554 L N -0.788 120.250 121.223 -0.308 0.000 2.137 554 L HA -0.237 4.105 4.340 0.002 0.000 0.213 554 L C 2.334 179.172 176.870 -0.052 0.000 1.085 554 L CA 1.554 56.314 54.840 -0.134 0.000 0.760 554 L CB -0.896 41.129 42.059 -0.057 0.000 0.893 554 L HN 0.186 nan 8.230 nan 0.000 0.434 555 N N 0.368 119.055 118.700 -0.022 0.000 2.333 555 N HA -0.171 4.571 4.740 0.002 0.000 0.178 555 N C 1.904 177.437 175.510 0.039 0.000 1.018 555 N CA 0.688 53.757 53.050 0.032 0.000 0.882 555 N CB 0.275 38.810 38.487 0.080 0.000 0.984 555 N HN 0.344 nan 8.380 nan 0.000 0.434 556 K N 1.160 121.577 120.400 0.028 0.000 2.243 556 K HA -0.031 4.290 4.320 0.002 0.000 0.201 556 K C 1.302 177.918 176.600 0.027 0.000 1.051 556 K CA 1.103 57.413 56.287 0.039 0.000 0.970 556 K CB 0.058 32.563 32.500 0.009 0.000 0.755 556 K HN 0.023 nan 8.250 nan 0.000 0.465 557 V N -2.891 117.073 119.914 0.082 0.000 2.471 557 V HA -0.328 3.793 4.120 0.002 0.000 0.132 557 V C 0.710 176.787 176.094 -0.029 0.000 0.451 557 V CA 1.929 64.233 62.300 0.007 0.000 1.274 557 V CB -2.572 29.177 31.823 -0.123 0.000 1.494 557 V HN 0.735 nan 8.190 nan 0.000 1.012 558 G N -0.357 108.388 108.800 -0.092 0.000 2.601 558 G HA2 0.260 4.221 3.960 0.002 0.000 0.306 558 G HA3 0.260 4.221 3.960 0.002 0.000 0.306 558 G C 1.294 176.034 174.900 -0.266 0.000 1.172 558 G CA 0.773 45.650 45.100 -0.371 0.000 0.966 558 G HN 2.925 nan 8.290 nan 0.000 0.542 559 G N -1.192 107.474 108.800 -0.223 0.000 2.734 559 G HA2 0.732 4.693 3.960 0.002 0.000 0.293 559 G HA3 0.732 4.693 3.960 0.002 0.000 0.293 559 G C -0.678 174.201 174.900 -0.036 0.000 1.422 559 G CA 1.226 46.245 45.100 -0.135 0.000 1.177 559 G HN 1.619 nan 8.290 nan 0.000 0.565 560 E N -0.656 119.506 120.200 -0.065 0.000 8.611 560 E HA -0.093 4.259 4.350 0.002 0.000 0.530 560 E C -1.264 175.224 176.600 -0.187 0.000 1.374 560 E CA 0.251 56.629 56.400 -0.036 0.000 2.535 560 E CB -0.659 29.029 29.700 -0.020 0.000 0.980 560 E HN 0.456 nan 8.360 nan 0.000 0.262 561 F N -0.450 119.460 119.950 -0.066 0.000 3.064 561 F HA 0.549 5.077 4.527 0.002 0.000 0.353 561 F C 0.317 176.048 175.800 -0.114 0.000 1.393 561 F CA -0.721 57.245 58.000 -0.058 0.000 1.080 561 F CB 0.235 39.216 39.000 -0.031 0.000 1.619 561 F HN 0.417 nan 8.300 nan 0.000 0.465 562 L N 2.686 124.052 121.223 0.240 0.000 2.653 562 L HA -0.038 4.303 4.340 0.002 0.000 0.288 562 L C -1.967 174.895 176.870 -0.014 0.000 1.243 562 L CA -0.957 53.937 54.840 0.091 0.000 0.906 562 L CB -0.247 41.873 42.059 0.102 0.000 1.154 562 L HN 0.302 nan 8.230 nan 0.000 0.498 563 P HA 0.052 nan 4.420 nan 0.000 0.302 563 P C -0.251 177.016 177.300 -0.055 0.000 1.301 563 P CA -0.469 62.567 63.100 -0.107 0.000 0.745 563 P CB 0.441 32.075 31.700 -0.109 0.000 1.331 564 Q N -0.996 118.771 119.800 -0.055 0.000 2.215 564 Q HA 0.265 4.607 4.340 0.002 0.000 0.257 564 Q C -0.147 175.839 176.000 -0.023 0.000 0.792 564 Q CA 0.010 55.795 55.803 -0.030 0.000 0.958 564 Q CB 0.907 29.629 28.738 -0.026 0.000 1.158 564 Q HN 0.351 nan 8.270 nan 0.000 0.490 565 I N 1.840 122.392 120.570 -0.030 0.000 9.093 565 I HA -0.283 3.888 4.170 0.002 0.000 0.150 565 I C -0.881 175.230 176.117 -0.010 0.000 1.868 565 I CA 0.257 61.545 61.300 -0.019 0.000 2.037 565 I CB -0.493 37.498 38.000 -0.015 0.000 3.955 565 I HN 0.386 nan 8.210 nan 0.000 0.169 566 N N 3.509 122.206 118.700 -0.005 0.000 2.342 566 N HA 0.528 5.270 4.740 0.002 0.000 0.293 566 N C -1.286 174.227 175.510 0.004 0.000 1.026 566 N CA -0.424 52.625 53.050 -0.001 0.000 0.857 566 N CB 1.653 40.136 38.487 -0.006 0.000 1.256 566 N HN 0.524 nan 8.380 nan 0.000 0.484 567 E N 0.585 120.791 120.200 0.009 0.000 2.281 567 E HA 0.414 4.766 4.350 0.002 0.000 0.262 567 E C 0.739 177.334 176.600 -0.009 0.000 0.933 567 E CA -1.201 55.202 56.400 0.004 0.000 0.809 567 E CB 1.105 30.815 29.700 0.017 0.000 1.242 567 E HN 0.640 nan 8.360 nan 0.000 0.418 568 G N 0.900 109.682 108.800 -0.031 0.000 2.535 568 G HA2 -0.133 3.829 3.960 0.002 0.000 0.218 568 G HA3 -0.133 3.829 3.960 0.002 0.000 0.218 568 G C 0.023 174.904 174.900 -0.033 0.000 1.122 568 G CA 0.768 45.846 45.100 -0.036 0.000 0.769 568 G HN 0.404 nan 8.290 nan 0.000 0.549 569 D N -1.267 119.114 120.400 -0.033 0.000 2.614 569 D HA 0.637 5.278 4.640 0.002 0.000 0.264 569 D C -0.415 175.921 176.300 0.059 0.000 1.092 569 D CA -0.516 53.483 54.000 -0.001 0.000 1.071 569 D CB 1.503 42.269 40.800 -0.056 0.000 1.443 569 D HN -0.092 nan 8.370 nan 0.000 0.528 570 L N 0.355 121.648 121.223 0.115 0.000 2.388 570 L HA 0.474 4.816 4.340 0.002 0.000 0.264 570 L C -0.994 175.992 176.870 0.193 0.000 0.998 570 L CA -0.924 54.026 54.840 0.184 0.000 0.817 570 L CB 2.364 44.599 42.059 0.293 0.000 1.338 570 L HN 0.088 nan 8.230 nan 0.000 0.414 571 L N 2.247 123.564 121.223 0.157 0.000 2.346 571 L HA 0.463 4.804 4.340 0.002 0.000 0.276 571 L C -1.330 175.556 176.870 0.026 0.000 1.006 571 L CA -0.550 54.343 54.840 0.087 0.000 0.817 571 L CB 2.227 44.304 42.059 0.030 0.000 1.272 571 L HN 0.479 nan 8.230 nan 0.000 0.421 572 Y N 5.171 125.328 120.300 -0.239 0.000 2.328 572 Y HA 0.580 5.131 4.550 0.002 0.000 0.337 572 Y C -0.983 174.694 175.900 -0.373 0.000 0.966 572 Y CA -1.709 56.068 58.100 -0.538 0.000 1.136 572 Y CB 1.512 39.548 38.460 -0.705 0.000 1.170 572 Y HN 0.514 nan 8.280 nan 0.000 0.470 573 M N 9.931 129.613 119.600 0.138 0.000 2.165 573 M HA 0.396 4.877 4.480 0.002 0.000 0.283 573 M C -2.980 173.347 176.300 0.045 0.000 0.978 573 M CA -1.445 53.900 55.300 0.074 0.000 0.948 573 M CB 3.074 35.642 32.600 -0.054 0.000 1.599 573 M HN 0.389 nan 8.290 nan 0.000 0.450 574 P HA 0.355 nan 4.420 nan 0.000 0.307 574 P C -1.002 176.287 177.300 -0.018 0.000 1.417 574 P CA -0.623 62.513 63.100 0.059 0.000 0.973 574 P CB 1.659 33.490 31.700 0.217 0.000 1.048 575 S N 1.723 117.394 115.700 -0.049 0.000 2.575 575 S HA 0.228 4.699 4.470 0.002 0.000 0.295 575 S C 0.756 175.325 174.600 -0.053 0.000 1.267 575 S CA 0.574 58.734 58.200 -0.067 0.000 1.074 575 S CB -0.329 62.827 63.200 -0.074 0.000 0.829 575 S HN 0.637 nan 8.310 nan 0.000 0.497 576 T N 2.925 117.441 114.554 -0.064 0.000 2.916 576 T HA 0.637 4.989 4.350 0.002 0.000 0.292 576 T C -0.804 173.854 174.700 -0.071 0.000 1.064 576 T CA -0.898 61.165 62.100 -0.061 0.000 1.011 576 T CB 0.528 69.357 68.868 -0.065 0.000 1.152 576 T HN 0.395 nan 8.240 nan 0.000 0.510 577 L N 4.432 125.614 121.223 -0.068 0.000 2.289 577 L HA 0.398 4.739 4.340 0.002 0.000 0.285 577 L C -1.352 175.468 176.870 -0.083 0.000 1.049 577 L CA -1.870 52.925 54.840 -0.075 0.000 0.804 577 L CB 1.536 43.555 42.059 -0.066 0.000 1.195 577 L HN 0.652 nan 8.230 nan 0.000 0.428 578 P HA -0.266 nan 4.420 nan 0.000 0.252 578 P C 0.234 177.471 177.300 -0.106 0.000 0.792 578 P CA 1.257 64.296 63.100 -0.101 0.000 1.111 578 P CB -0.243 31.393 31.700 -0.108 0.000 0.786 579 G N 0.045 108.779 108.800 -0.110 0.000 2.343 579 G HA2 0.426 4.388 3.960 0.002 0.000 0.254 579 G HA3 0.426 4.388 3.960 0.002 0.000 0.254 579 G C -0.070 174.772 174.900 -0.097 0.000 1.277 579 G CA -0.082 44.950 45.100 -0.114 0.000 0.909 579 G HN 0.534 nan 8.290 nan 0.000 0.502 580 I N -0.828 119.679 120.570 -0.105 0.000 3.279 580 I HA 0.710 4.881 4.170 0.002 0.000 0.315 580 I C -0.312 175.753 176.117 -0.087 0.000 1.225 580 I CA -1.052 60.196 61.300 -0.085 0.000 0.947 580 I CB 1.852 39.804 38.000 -0.080 0.000 1.293 580 I HN 0.325 nan 8.210 nan 0.000 0.468 581 S N 1.206 116.866 115.700 -0.066 0.000 2.632 581 S HA 0.584 5.055 4.470 0.002 0.000 0.271 581 S C 0.920 175.485 174.600 -0.058 0.000 1.260 581 S CA -0.031 58.135 58.200 -0.057 0.000 1.010 581 S CB 1.651 64.828 63.200 -0.040 0.000 0.965 581 S HN 0.803 nan 8.310 nan 0.000 0.534 582 A N 1.560 124.350 122.820 -0.049 0.000 1.929 582 A HA 0.190 4.511 4.320 0.002 0.000 0.216 582 A C 2.123 179.687 177.584 -0.033 0.000 1.176 582 A CA 1.318 53.330 52.037 -0.041 0.000 0.628 582 A CB -1.004 17.979 19.000 -0.028 0.000 0.816 582 A HN 0.864 nan 8.150 nan 0.000 0.444 583 A N -0.190 122.614 122.820 -0.028 0.000 1.873 583 A HA -0.106 4.215 4.320 0.002 0.000 0.215 583 A C 1.937 179.502 177.584 -0.031 0.000 1.186 583 A CA 1.952 53.974 52.037 -0.025 0.000 0.616 583 A CB -0.513 18.476 19.000 -0.019 0.000 0.823 583 A HN 0.450 nan 8.150 nan 0.000 0.442 584 E N 0.146 120.325 120.200 -0.034 0.000 2.160 584 E HA -0.087 4.264 4.350 0.002 0.000 0.195 584 E C 1.971 178.544 176.600 -0.045 0.000 0.991 584 E CA 1.345 57.723 56.400 -0.038 0.000 0.810 584 E CB -0.374 29.302 29.700 -0.039 0.000 0.742 584 E HN 0.516 nan 8.360 nan 0.000 0.466 585 A N 0.605 123.395 122.820 -0.049 0.000 1.855 585 A HA -0.035 4.287 4.320 0.002 0.000 0.215 585 A C 2.437 179.989 177.584 -0.054 0.000 1.191 585 A CA 1.954 53.957 52.037 -0.057 0.000 0.613 585 A CB -1.095 17.871 19.000 -0.058 0.000 0.829 585 A HN 0.353 nan 8.150 nan 0.000 0.442 586 A N -0.679 122.114 122.820 -0.045 0.000 1.978 586 A HA -0.106 4.216 4.320 0.002 0.000 0.220 586 A C 2.456 180.012 177.584 -0.046 0.000 1.170 586 A CA 2.271 54.282 52.037 -0.044 0.000 0.636 586 A CB -0.858 18.121 19.000 -0.034 0.000 0.810 586 A HN 0.633 nan 8.150 nan 0.000 0.448 587 S N -0.757 114.918 115.700 -0.042 0.000 2.338 587 S HA -0.165 4.306 4.470 0.002 0.000 0.218 587 S C 2.141 176.714 174.600 -0.045 0.000 1.032 587 S CA 1.679 59.855 58.200 -0.040 0.000 0.999 587 S CB -0.437 62.743 63.200 -0.034 0.000 0.905 587 S HN 0.528 nan 8.310 nan 0.000 0.439 588 M N 0.396 119.966 119.600 -0.050 0.000 2.106 588 M HA -0.130 4.352 4.480 0.002 0.000 0.259 588 M C 2.246 178.501 176.300 -0.074 0.000 1.068 588 M CA 1.417 56.682 55.300 -0.058 0.000 1.100 588 M CB -0.615 31.946 32.600 -0.064 0.000 1.351 588 M HN 0.426 nan 8.290 nan 0.000 0.404 589 L N 0.551 121.726 121.223 -0.081 0.000 2.013 589 L HA -0.272 4.069 4.340 0.002 0.000 0.212 589 L C 2.438 179.259 176.870 -0.082 0.000 1.073 589 L CA 2.021 56.805 54.840 -0.093 0.000 0.753 589 L CB -0.743 41.267 42.059 -0.082 0.000 0.890 589 L HN 0.350 nan 8.230 nan 0.000 0.432 590 Q N -0.797 118.964 119.800 -0.067 0.000 2.079 590 Q HA -0.261 4.080 4.340 0.002 0.000 0.200 590 Q C 2.376 178.347 176.000 -0.048 0.000 0.974 590 Q CA 1.803 57.570 55.803 -0.059 0.000 0.840 590 Q CB -0.134 28.574 28.738 -0.051 0.000 0.898 590 Q HN 0.512 nan 8.270 nan 0.000 0.430 591 K N -0.619 119.756 120.400 -0.041 0.000 2.026 591 K HA -0.141 4.180 4.320 0.002 0.000 0.208 591 K C 1.964 178.551 176.600 -0.021 0.000 1.048 591 K CA 1.739 58.009 56.287 -0.027 0.000 0.929 591 K CB -0.089 32.397 32.500 -0.023 0.000 0.713 591 K HN 0.184 nan 8.250 nan 0.000 0.439 592 T N 1.399 115.930 114.554 -0.038 0.000 2.720 592 T HA -0.125 4.226 4.350 0.002 0.000 0.268 592 T C 1.028 175.720 174.700 -0.013 0.000 1.037 592 T CA 1.734 63.815 62.100 -0.033 0.000 1.144 592 T CB -0.298 68.499 68.868 -0.119 0.000 0.864 592 T HN 0.296 nan 8.240 nan 0.000 0.444 593 D N 0.550 120.928 120.400 -0.037 0.000 2.310 593 D HA 0.004 4.645 4.640 0.002 0.000 0.212 593 D C 2.066 178.358 176.300 -0.013 0.000 0.965 593 D CA 0.823 54.807 54.000 -0.028 0.000 0.879 593 D CB -0.006 40.757 40.800 -0.061 0.000 0.921 593 D HN 0.392 nan 8.370 nan 0.000 0.510 594 K N -0.394 119.999 120.400 -0.011 0.000 2.099 594 K HA 0.135 4.456 4.320 0.002 0.000 0.203 594 K C 2.130 178.736 176.600 0.009 0.000 1.047 594 K CA 0.239 56.522 56.287 -0.007 0.000 0.963 594 K CB 0.191 32.683 32.500 -0.013 0.000 0.759 594 K HN 0.078 nan 8.250 nan 0.000 0.451 595 L N 1.168 122.406 121.223 0.026 0.000 2.017 595 L HA -0.172 4.169 4.340 0.002 0.000 0.208 595 L C 2.357 179.267 176.870 0.067 0.000 1.073 595 L CA 0.941 55.809 54.840 0.047 0.000 0.745 595 L CB -0.625 41.476 42.059 0.069 0.000 0.894 595 L HN 0.165 nan 8.230 nan 0.000 0.432 596 I N -0.257 120.374 120.570 0.102 0.000 2.208 596 I HA -0.307 3.864 4.170 0.002 0.000 0.245 596 I C 2.533 178.694 176.117 0.073 0.000 1.097 596 I CA 1.668 63.050 61.300 0.137 0.000 1.363 596 I CB -0.691 37.424 38.000 0.191 0.000 1.051 596 I HN 0.343 nan 8.210 nan 0.000 0.413 597 M N 1.087 120.712 119.600 0.043 0.000 2.374 597 M HA -0.155 4.327 4.480 0.002 0.000 0.264 597 M C 2.475 178.768 176.300 -0.012 0.000 1.067 597 M CA 1.513 56.819 55.300 0.012 0.000 1.103 597 M CB -0.426 32.172 32.600 -0.003 0.000 1.402 597 M HN 0.353 nan 8.290 nan 0.000 0.444 598 S N -0.762 114.935 115.700 -0.006 0.000 2.353 598 S HA -0.064 4.408 4.470 0.002 0.000 0.222 598 S C 0.916 175.492 174.600 -0.040 0.000 1.035 598 S CA 0.825 59.011 58.200 -0.024 0.000 1.025 598 S CB -1.333 61.861 63.200 -0.010 0.000 0.902 598 S HN 0.259 nan 8.310 nan 0.000 0.440 599 V N 4.579 124.478 119.914 -0.026 0.000 2.681 599 V HA 0.042 4.163 4.120 0.002 0.000 0.306 599 V C -1.238 174.817 176.094 -0.065 0.000 1.077 599 V CA -0.293 61.983 62.300 -0.040 0.000 1.224 599 V CB 0.380 32.184 31.823 -0.031 0.000 0.879 599 V HN 0.428 nan 8.190 nan 0.000 0.494 600 P HA 0.021 nan 4.420 nan 0.000 0.233 600 P C 0.795 178.032 177.300 -0.105 0.000 1.167 600 P CA 0.593 63.595 63.100 -0.164 0.000 0.770 600 P CB 0.303 31.892 31.700 -0.186 0.000 0.837 601 E N -0.695 119.489 120.200 -0.028 0.000 2.474 601 E HA 0.069 4.420 4.350 0.002 0.000 0.195 601 E C 0.255 176.871 176.600 0.027 0.000 1.039 601 E CA -0.128 56.290 56.400 0.030 0.000 0.881 601 E CB 0.321 30.038 29.700 0.028 0.000 0.970 601 E HN 0.111 nan 8.360 nan 0.000 0.486 602 V N -1.897 118.021 119.914 0.006 0.000 2.427 602 V HA 0.703 4.825 4.120 0.002 0.000 0.286 602 V C 0.646 176.752 176.094 0.021 0.000 1.034 602 V CA -0.408 61.906 62.300 0.024 0.000 0.893 602 V CB 1.415 33.258 31.823 0.033 0.000 0.982 602 V HN 0.042 nan 8.190 nan 0.000 0.452 603 A N 5.666 128.510 122.820 0.041 0.000 2.353 603 A HA 0.408 4.730 4.320 0.002 0.000 0.218 603 A C 1.342 178.949 177.584 0.039 0.000 1.760 603 A CA 0.173 52.236 52.037 0.044 0.000 0.638 603 A CB -0.178 18.858 19.000 0.060 0.000 1.280 603 A HN 0.842 nan 8.150 nan 0.000 0.511 604 R N -1.768 118.765 120.500 0.055 0.000 2.549 604 R HA 0.632 4.974 4.340 0.002 0.000 0.259 604 R C -1.414 174.933 176.300 0.077 0.000 1.095 604 R CA -0.422 55.715 56.100 0.063 0.000 1.148 604 R CB 1.272 31.623 30.300 0.084 0.000 1.181 604 R HN 0.301 nan 8.270 nan 0.000 0.571 605 V N 0.803 120.766 119.914 0.082 0.000 3.048 605 V HA 0.399 4.520 4.120 0.002 0.000 0.303 605 V C -1.614 174.553 176.094 0.121 0.000 1.214 605 V CA -0.773 61.589 62.300 0.104 0.000 0.984 605 V CB 2.233 34.095 31.823 0.065 0.000 1.054 605 V HN 0.548 nan 8.190 nan 0.000 0.430 606 F N 1.782 121.745 119.950 0.022 0.000 2.562 606 F HA 0.780 5.309 4.527 0.002 0.000 0.319 606 F C 0.415 176.205 175.800 -0.017 0.000 1.154 606 F CA -0.505 57.498 58.000 0.005 0.000 0.931 606 F CB 1.884 40.894 39.000 0.017 0.000 1.198 606 F HN 0.602 nan 8.300 nan 0.000 0.444 607 G N 5.303 114.130 108.800 0.046 0.000 2.322 607 G HA2 0.430 4.391 3.960 0.002 0.000 0.309 607 G HA3 0.430 4.391 3.960 0.002 0.000 0.309 607 G C -1.403 173.599 174.900 0.171 0.000 1.121 607 G CA -0.540 44.594 45.100 0.057 0.000 0.886 607 G HN 0.516 nan 8.290 nan 0.000 0.447 608 K N 2.019 122.508 120.400 0.148 0.000 2.463 608 K HA 0.460 4.781 4.320 0.002 0.000 0.255 608 K C -1.119 175.493 176.600 0.021 0.000 0.942 608 K CA -0.506 55.858 56.287 0.129 0.000 0.814 608 K CB 1.772 34.352 32.500 0.133 0.000 1.122 608 K HN 0.381 nan 8.250 nan 0.000 0.425 609 T N 2.434 116.994 114.554 0.009 0.000 2.977 609 T HA 0.556 4.907 4.350 0.002 0.000 0.346 609 T C -0.111 174.581 174.700 -0.013 0.000 1.140 609 T CA 0.078 62.162 62.100 -0.027 0.000 1.040 609 T CB 1.098 69.939 68.868 -0.045 0.000 1.046 609 T HN 0.970 nan 8.240 nan 0.000 0.494 610 G N 3.382 112.172 108.800 -0.015 0.000 2.337 610 G HA2 -0.046 3.915 3.960 0.002 0.000 0.197 610 G HA3 -0.046 3.915 3.960 0.002 0.000 0.197 610 G C -0.650 174.264 174.900 0.023 0.000 1.238 610 G CA -0.477 44.624 45.100 0.003 0.000 1.119 610 G HN 0.751 nan 8.290 nan 0.000 0.514 611 K N -0.487 119.945 120.400 0.053 0.000 2.646 611 K HA 0.836 5.157 4.320 0.002 0.000 0.270 611 K C -0.060 176.592 176.600 0.086 0.000 1.026 611 K CA -0.171 56.162 56.287 0.077 0.000 1.043 611 K CB 1.465 34.033 32.500 0.114 0.000 1.383 611 K HN 2.056 nan 8.250 nan 0.000 0.513 612 A N 1.322 124.203 122.820 0.102 0.000 2.686 612 A HA 0.254 4.575 4.320 0.002 0.000 0.299 612 A C -1.151 176.451 177.584 0.030 0.000 1.151 612 A CA -0.643 51.431 52.037 0.062 0.000 0.851 612 A CB 0.484 19.525 19.000 0.069 0.000 1.448 612 A HN 0.682 nan 8.150 nan 0.000 0.404 613 E N 0.635 120.847 120.200 0.020 0.000 1.544 613 E HA -0.158 4.194 4.350 0.002 0.000 0.167 613 E C 0.028 176.619 176.600 -0.015 0.000 1.106 613 E CA 1.960 58.359 56.400 -0.002 0.000 0.507 613 E CB -0.961 28.710 29.700 -0.048 0.000 1.038 613 E HN 0.602 nan 8.360 nan 0.000 0.263 614 T N -1.248 113.329 114.554 0.039 0.000 3.159 614 T HA 0.507 4.858 4.350 0.002 0.000 0.343 614 T C 0.816 175.586 174.700 0.118 0.000 1.364 614 T CA -0.252 61.870 62.100 0.037 0.000 1.102 614 T CB 1.479 70.332 68.868 -0.025 0.000 1.263 614 T HN 0.059 nan 8.240 nan 0.000 0.477 615 A N 1.965 124.854 122.820 0.115 0.000 2.125 615 A HA -0.019 4.302 4.320 0.002 0.000 0.219 615 A C 2.128 179.785 177.584 0.121 0.000 1.156 615 A CA 2.166 54.307 52.037 0.175 0.000 0.671 615 A CB -0.781 18.291 19.000 0.120 0.000 0.794 615 A HN 0.791 nan 8.150 nan 0.000 0.459 616 T N -0.129 114.511 114.554 0.144 0.000 2.668 616 T HA -0.075 4.277 4.350 0.002 0.000 0.262 616 T C 0.777 175.515 174.700 0.063 0.000 1.045 616 T CA 1.203 63.410 62.100 0.179 0.000 1.152 616 T CB -0.315 68.820 68.868 0.445 0.000 0.864 616 T HN 0.510 nan 8.240 nan 0.000 0.419 617 D N 1.514 121.995 120.400 0.135 0.000 2.348 617 D HA 0.187 4.828 4.640 0.002 0.000 0.253 617 D C 0.114 176.310 176.300 -0.173 0.000 1.161 617 D CA -0.039 53.965 54.000 0.008 0.000 0.876 617 D CB 0.654 41.549 40.800 0.158 0.000 1.160 617 D HN 0.266 nan 8.370 nan 0.000 0.459 618 S N 1.655 117.200 115.700 -0.259 0.000 2.902 618 S HA 0.508 4.979 4.470 0.002 0.000 0.250 618 S C -0.023 174.537 174.600 -0.067 0.000 1.046 618 S CA -0.799 57.159 58.200 -0.404 0.000 1.069 618 S CB 0.404 63.148 63.200 -0.761 0.000 0.967 618 S HN 0.450 nan 8.310 nan 0.000 0.530 619 A N 2.509 125.312 122.820 -0.028 0.000 2.274 619 A HA 0.800 5.121 4.320 0.002 0.000 0.309 619 A C -2.598 174.996 177.584 0.017 0.000 1.226 619 A CA -1.775 50.252 52.037 -0.016 0.000 0.853 619 A CB 0.181 19.152 19.000 -0.048 0.000 1.146 619 A HN 0.331 nan 8.150 nan 0.000 0.518 620 P HA 0.001 nan 4.420 nan 0.000 0.273 620 P C 0.935 178.217 177.300 -0.029 0.000 1.258 620 P CA -0.430 62.670 63.100 -0.000 0.000 0.802 620 P CB 0.471 32.154 31.700 -0.029 0.000 1.040 621 L N 0.141 121.331 121.223 -0.055 0.000 2.552 621 L HA -0.070 4.271 4.340 0.002 0.000 0.227 621 L C 1.653 178.478 176.870 -0.075 0.000 1.146 621 L CA 1.555 56.358 54.840 -0.062 0.000 0.858 621 L CB -1.309 40.701 42.059 -0.081 0.000 0.969 621 L HN 0.300 nan 8.230 nan 0.000 0.451 622 E N -1.235 118.915 120.200 -0.082 0.000 2.033 622 E HA -0.086 4.265 4.350 0.002 0.000 0.189 622 E C 0.727 177.276 176.600 -0.085 0.000 0.979 622 E CA 0.241 56.589 56.400 -0.086 0.000 0.802 622 E CB -0.310 29.337 29.700 -0.089 0.000 0.763 622 E HN 0.211 nan 8.360 nan 0.000 0.449 623 M N 2.842 122.395 119.600 -0.079 0.000 3.031 623 M HA -0.045 4.437 4.480 0.002 0.000 0.373 623 M C -0.116 176.128 176.300 -0.093 0.000 1.815 623 M CA 0.558 55.808 55.300 -0.083 0.000 1.350 623 M CB -0.755 31.802 32.600 -0.072 0.000 2.030 623 M HN 0.032 nan 8.290 nan 0.000 0.474 624 V N 4.898 124.739 119.914 -0.123 0.000 2.461 624 V HA 0.330 4.452 4.120 0.002 0.000 0.275 624 V C -0.157 175.829 176.094 -0.181 0.000 1.047 624 V CA -0.171 62.028 62.300 -0.167 0.000 0.955 624 V CB 1.311 32.985 31.823 -0.248 0.000 0.988 624 V HN 0.870 nan 8.190 nan 0.000 0.471 625 E N 4.195 124.310 120.200 -0.142 0.000 2.343 625 E HA 0.503 4.854 4.350 0.002 0.000 0.260 625 E C -0.881 175.683 176.600 -0.061 0.000 0.908 625 E CA -0.447 55.888 56.400 -0.108 0.000 0.814 625 E CB 1.594 31.240 29.700 -0.090 0.000 1.302 625 E HN 0.976 nan 8.360 nan 0.000 0.408 626 T N 0.152 114.669 114.554 -0.061 0.000 2.863 626 T HA 0.493 4.844 4.350 0.002 0.000 0.285 626 T C -0.100 174.652 174.700 0.086 0.000 1.009 626 T CA -0.733 61.380 62.100 0.022 0.000 0.989 626 T CB 1.819 70.664 68.868 -0.040 0.000 1.004 626 T HN 0.127 nan 8.240 nan 0.000 0.455 627 T N 3.165 117.809 114.554 0.151 0.000 2.756 627 T HA 0.524 4.876 4.350 0.002 0.000 0.290 627 T C -0.184 174.622 174.700 0.178 0.000 0.985 627 T CA -0.411 61.786 62.100 0.162 0.000 0.955 627 T CB -0.006 68.958 68.868 0.161 0.000 0.930 627 T HN 0.553 nan 8.240 nan 0.000 0.451 628 I N 3.548 124.217 120.570 0.165 0.000 2.336 628 I HA 0.297 4.468 4.170 0.002 0.000 0.292 628 I C 0.412 176.589 176.117 0.100 0.000 0.991 628 I CA -0.541 60.851 61.300 0.154 0.000 1.227 628 I CB 1.410 39.534 38.000 0.207 0.000 1.366 628 I HN 0.335 nan 8.210 nan 0.000 0.466 629 Q N 6.394 126.242 119.800 0.081 0.000 2.271 629 Q HA 0.597 4.939 4.340 0.002 0.000 0.258 629 Q C -1.123 174.903 176.000 0.044 0.000 0.936 629 Q CA -0.667 55.162 55.803 0.044 0.000 0.909 629 Q CB 2.464 31.230 28.738 0.046 0.000 1.253 629 Q HN 0.542 nan 8.270 nan 0.000 0.440 630 L N 1.781 123.022 121.223 0.029 0.000 2.313 630 L HA 0.550 4.891 4.340 0.002 0.000 0.268 630 L C -0.217 176.680 176.870 0.044 0.000 1.010 630 L CA -0.883 53.979 54.840 0.036 0.000 0.814 630 L CB 1.629 43.702 42.059 0.023 0.000 1.304 630 L HN 0.384 nan 8.230 nan 0.000 0.441 631 K N 1.024 121.463 120.400 0.065 0.000 2.123 631 K HA 0.445 4.766 4.320 0.002 0.000 0.248 631 K C -2.429 174.207 176.600 0.061 0.000 0.969 631 K CA -1.707 54.631 56.287 0.084 0.000 0.882 631 K CB 0.810 33.402 32.500 0.154 0.000 1.080 631 K HN 0.242 nan 8.250 nan 0.000 0.441 632 P HA -0.053 nan 4.420 nan 0.000 0.264 632 P C -0.171 177.143 177.300 0.023 0.000 1.183 632 P CA 0.088 63.202 63.100 0.025 0.000 0.763 632 P CB 0.466 32.175 31.700 0.014 0.000 0.807 633 Q N 1.932 121.739 119.800 0.011 0.000 2.491 633 Q HA -0.136 4.205 4.340 0.002 0.000 0.214 633 Q C 1.584 177.577 176.000 -0.011 0.000 0.970 633 Q CA 0.623 56.431 55.803 0.008 0.000 0.960 633 Q CB -0.394 28.342 28.738 -0.003 0.000 0.996 633 Q HN 0.675 nan 8.270 nan 0.000 0.524 634 E N 0.777 120.962 120.200 -0.025 0.000 2.085 634 E HA -0.196 4.156 4.350 0.002 0.000 0.194 634 E C -0.042 176.495 176.600 -0.106 0.000 0.994 634 E CA 0.875 57.237 56.400 -0.063 0.000 0.801 634 E CB 0.283 29.939 29.700 -0.072 0.000 0.743 634 E HN 0.407 nan 8.360 nan 0.000 0.453 635 Q N -1.384 118.370 119.800 -0.077 0.000 2.204 635 Q HA 0.208 4.550 4.340 0.002 0.000 0.254 635 Q C -0.551 175.529 176.000 0.133 0.000 0.981 635 Q CA -0.756 55.008 55.803 -0.066 0.000 0.897 635 Q CB 1.221 29.953 28.738 -0.009 0.000 1.273 635 Q HN 0.340 nan 8.270 nan 0.000 0.464 636 W N 1.169 122.465 121.300 -0.006 0.000 2.075 636 W HA 0.368 5.030 4.660 0.002 0.000 0.332 636 W C -0.827 175.689 176.519 -0.005 0.000 0.905 636 W CA -0.056 57.288 57.345 -0.003 0.000 2.126 636 W CB 0.973 30.432 29.460 -0.002 0.000 1.143 636 W HN 0.557 nan 8.180 nan 0.000 0.542 637 R N 1.330 121.923 120.500 0.155 0.000 2.707 637 R HA 0.493 4.834 4.340 0.002 0.000 0.272 637 R C -2.665 173.665 176.300 0.049 0.000 1.011 637 R CA -1.163 55.002 56.100 0.108 0.000 0.893 637 R CB 1.493 31.849 30.300 0.093 0.000 1.233 637 R HN -0.223 nan 8.270 nan 0.000 0.464 638 P HA 0.401 nan 4.420 nan 0.000 0.297 638 P C 0.208 177.517 177.300 0.016 0.000 1.319 638 P CA 0.108 63.221 63.100 0.022 0.000 0.810 638 P CB 1.593 33.307 31.700 0.024 0.000 0.947 639 G N 4.043 112.847 108.800 0.007 0.000 2.779 639 G HA2 -0.306 3.655 3.960 0.002 0.000 0.284 639 G HA3 -0.306 3.655 3.960 0.002 0.000 0.284 639 G C 0.284 175.179 174.900 -0.007 0.000 1.326 639 G CA 0.076 45.175 45.100 -0.001 0.000 0.983 639 G HN 0.598 nan 8.290 nan 0.000 0.555 640 M N 1.769 121.364 119.600 -0.007 0.000 3.374 640 M HA -0.157 4.324 4.480 0.002 0.000 0.163 640 M C 0.948 177.233 176.300 -0.025 0.000 1.401 640 M CA 1.509 56.800 55.300 -0.016 0.000 0.887 640 M CB -1.927 30.671 32.600 -0.003 0.000 1.285 640 M HN 1.129 nan 8.290 nan 0.000 0.595 641 T N 0.344 114.878 114.554 -0.034 0.000 2.732 641 T HA 0.292 4.643 4.350 0.002 0.000 0.287 641 T C 1.098 175.767 174.700 -0.051 0.000 0.993 641 T CA -0.005 62.071 62.100 -0.040 0.000 0.966 641 T CB 0.841 69.685 68.868 -0.041 0.000 1.047 641 T HN 0.573 nan 8.240 nan 0.000 0.527 642 M N 1.318 120.887 119.600 -0.051 0.000 2.115 642 M HA -0.080 4.402 4.480 0.002 0.000 0.258 642 M C 1.664 177.911 176.300 -0.088 0.000 1.071 642 M CA 2.375 57.639 55.300 -0.061 0.000 1.100 642 M CB -1.293 31.279 32.600 -0.046 0.000 1.292 642 M HN 0.774 nan 8.290 nan 0.000 0.415 643 D N -0.522 119.831 120.400 -0.079 0.000 2.221 643 D HA -0.171 4.471 4.640 0.002 0.000 0.204 643 D C 1.892 178.124 176.300 -0.113 0.000 0.982 643 D CA 1.275 55.218 54.000 -0.095 0.000 0.857 643 D CB -0.160 40.599 40.800 -0.069 0.000 0.934 643 D HN 0.342 nan 8.370 nan 0.000 0.475 644 K N 0.404 120.749 120.400 -0.092 0.000 2.001 644 K HA -0.067 4.255 4.320 0.002 0.000 0.208 644 K C 1.843 178.368 176.600 -0.124 0.000 1.048 644 K CA 0.765 56.998 56.287 -0.089 0.000 0.932 644 K CB -0.194 32.270 32.500 -0.060 0.000 0.715 644 K HN -0.007 nan 8.250 nan 0.000 0.437 645 I N 0.900 121.393 120.570 -0.127 0.000 2.068 645 I HA -0.331 3.841 4.170 0.002 0.000 0.238 645 I C 2.193 178.136 176.117 -0.290 0.000 1.046 645 I CA 1.468 62.668 61.300 -0.166 0.000 1.306 645 I CB -0.971 36.946 38.000 -0.138 0.000 1.023 645 I HN 0.148 nan 8.210 nan 0.000 0.399 646 I N 0.948 121.309 120.570 -0.348 0.000 2.113 646 I HA -0.351 3.820 4.170 0.002 0.000 0.242 646 I C 2.716 178.507 176.117 -0.543 0.000 1.057 646 I CA 1.781 62.731 61.300 -0.582 0.000 1.314 646 I CB -0.774 36.983 38.000 -0.405 0.000 1.022 646 I HN 0.349 nan 8.210 nan 0.000 0.408 647 E N 0.256 120.273 120.200 -0.306 0.000 2.049 647 E HA -0.331 4.020 4.350 0.002 0.000 0.198 647 E C 2.252 178.731 176.600 -0.201 0.000 1.007 647 E CA 1.893 58.166 56.400 -0.212 0.000 0.809 647 E CB -0.227 29.395 29.700 -0.130 0.000 0.749 647 E HN 0.600 nan 8.360 nan 0.000 0.450 648 E N -0.226 119.860 120.200 -0.191 0.000 2.038 648 E HA -0.222 4.129 4.350 0.002 0.000 0.195 648 E C 2.220 178.720 176.600 -0.165 0.000 1.000 648 E CA 1.088 57.401 56.400 -0.144 0.000 0.803 648 E CB 0.005 29.633 29.700 -0.119 0.000 0.750 648 E HN 0.221 nan 8.360 nan 0.000 0.448 649 L N 1.793 122.835 121.223 -0.302 0.000 1.990 649 L HA -0.227 4.115 4.340 0.002 0.000 0.213 649 L C 2.414 179.213 176.870 -0.118 0.000 1.072 649 L CA 1.903 56.553 54.840 -0.317 0.000 0.755 649 L CB -1.531 39.980 42.059 -0.914 0.000 0.889 649 L HN 0.301 nan 8.230 nan 0.000 0.432 650 D N -0.475 119.776 120.400 -0.248 0.000 2.182 650 D HA -0.219 4.422 4.640 0.002 0.000 0.201 650 D C 1.903 178.233 176.300 0.050 0.000 0.986 650 D CA 0.979 55.018 54.000 0.065 0.000 0.847 650 D CB 0.036 40.833 40.800 -0.005 0.000 0.942 650 D HN 0.272 nan 8.370 nan 0.000 0.467 651 N N -0.943 117.746 118.700 -0.018 0.000 2.395 651 N HA -0.028 4.714 4.740 0.002 0.000 0.175 651 N C 1.405 176.925 175.510 0.017 0.000 1.029 651 N CA 1.021 54.069 53.050 -0.002 0.000 0.897 651 N CB -0.008 38.462 38.487 -0.027 0.000 0.991 651 N HN 0.017 nan 8.380 nan 0.000 0.441 652 T N -0.548 114.019 114.554 0.022 0.000 2.852 652 T HA 0.119 4.470 4.350 0.002 0.000 0.256 652 T C 0.435 175.182 174.700 0.079 0.000 1.038 652 T CA 0.490 62.613 62.100 0.038 0.000 1.141 652 T CB 0.201 69.084 68.868 0.026 0.000 0.869 652 T HN -0.100 nan 8.240 nan 0.000 0.439 653 V N 2.950 122.949 119.914 0.142 0.000 2.334 653 V HA 0.458 4.579 4.120 0.002 0.000 0.267 653 V C 0.012 176.196 176.094 0.150 0.000 1.040 653 V CA -0.514 61.893 62.300 0.178 0.000 0.866 653 V CB 0.380 32.392 31.823 0.315 0.000 1.019 653 V HN 0.210 nan 8.190 nan 0.000 0.468 654 R N 4.929 125.487 120.500 0.098 0.000 2.515 654 R HA 0.740 5.082 4.340 0.002 0.000 0.291 654 R C -2.019 174.312 176.300 0.052 0.000 1.046 654 R CA -0.547 55.596 56.100 0.073 0.000 0.914 654 R CB 1.634 31.964 30.300 0.050 0.000 1.191 654 R HN 0.599 nan 8.270 nan 0.000 0.435 655 L N 4.073 125.324 121.223 0.048 0.000 2.409 655 L HA 0.619 4.960 4.340 0.002 0.000 0.255 655 L C -2.215 174.664 176.870 0.016 0.000 1.027 655 L CA -1.811 53.045 54.840 0.027 0.000 0.834 655 L CB 2.358 44.431 42.059 0.024 0.000 1.426 655 L HN 0.583 nan 8.230 nan 0.000 0.411 656 P HA 0.216 nan 4.420 nan 0.000 0.271 656 P C 0.639 177.934 177.300 -0.009 0.000 1.218 656 P CA 0.514 63.611 63.100 -0.004 0.000 0.780 656 P CB 1.012 32.707 31.700 -0.008 0.000 0.901 657 G N 1.549 110.341 108.800 -0.014 0.000 2.245 657 G HA2 -0.208 3.753 3.960 0.002 0.000 0.264 657 G HA3 -0.208 3.753 3.960 0.002 0.000 0.264 657 G C -0.086 174.802 174.900 -0.020 0.000 0.985 657 G CA 0.031 45.117 45.100 -0.023 0.000 0.625 657 G HN 0.519 nan 8.290 nan 0.000 0.536 658 L N 0.647 121.867 121.223 -0.005 0.000 2.287 658 L HA 0.749 5.090 4.340 0.002 0.000 0.287 658 L C 0.379 177.253 176.870 0.007 0.000 1.022 658 L CA -0.282 54.564 54.840 0.009 0.000 0.814 658 L CB 1.726 43.811 42.059 0.044 0.000 1.217 658 L HN 0.302 nan 8.230 nan 0.000 0.420 659 A N 3.440 126.252 122.820 -0.013 0.000 2.287 659 A HA 0.589 4.910 4.320 0.002 0.000 0.317 659 A C -0.351 177.189 177.584 -0.072 0.000 1.220 659 A CA -0.748 51.270 52.037 -0.031 0.000 0.835 659 A CB 0.433 19.409 19.000 -0.039 0.000 1.180 659 A HN 0.726 nan 8.150 nan 0.000 0.500 660 N N 1.129 119.759 118.700 -0.116 0.000 2.530 660 N HA 0.444 5.186 4.740 0.002 0.000 0.273 660 N C -0.826 174.460 175.510 -0.374 0.000 1.173 660 N CA -0.038 52.792 53.050 -0.366 0.000 0.967 660 N CB 1.392 39.652 38.487 -0.378 0.000 1.109 660 N HN 0.670 nan 8.380 nan 0.000 0.453 661 L N 1.290 122.129 121.223 -0.639 0.000 2.410 661 L HA 0.548 4.890 4.340 0.002 0.000 0.270 661 L C -1.714 174.774 176.870 -0.635 0.000 0.983 661 L CA -0.743 53.858 54.840 -0.399 0.000 0.822 661 L CB 1.268 43.196 42.059 -0.218 0.000 1.285 661 L HN 0.526 nan 8.230 nan 0.000 0.409 662 W N 6.076 127.287 121.300 -0.148 0.000 2.424 662 W HA 0.633 5.295 4.660 0.002 0.000 0.318 662 W C -0.706 175.776 176.519 -0.061 0.000 1.016 662 W CA -0.598 56.680 57.345 -0.112 0.000 1.268 662 W CB 1.811 31.197 29.460 -0.122 0.000 1.297 662 W HN 0.297 nan 8.180 nan 0.000 0.428 663 V N 1.375 121.361 119.914 0.121 0.000 3.141 663 V HA 0.765 4.886 4.120 0.002 0.000 0.312 663 V C -2.806 173.338 176.094 0.083 0.000 1.157 663 V CA -3.369 58.974 62.300 0.072 0.000 1.041 663 V CB 1.922 33.750 31.823 0.009 0.000 1.071 663 V HN 0.126 nan 8.190 nan 0.000 0.441 664 P HA 0.487 nan 4.420 nan 0.000 0.281 664 P C -2.450 174.884 177.300 0.056 0.000 1.264 664 P CA -1.909 61.227 63.100 0.060 0.000 0.824 664 P CB 0.746 32.471 31.700 0.043 0.000 1.092 665 P HA -0.197 nan 4.420 nan 0.000 0.208 665 P C 1.390 178.727 177.300 0.063 0.000 1.180 665 P CA 1.439 64.622 63.100 0.138 0.000 0.935 665 P CB -0.414 31.489 31.700 0.338 0.000 0.785 666 I N -1.380 119.243 120.570 0.088 0.000 2.118 666 I HA -0.259 3.912 4.170 0.002 0.000 0.241 666 I C 2.583 178.695 176.117 -0.009 0.000 1.070 666 I CA 1.697 63.022 61.300 0.042 0.000 1.327 666 I CB -0.724 37.312 38.000 0.060 0.000 1.034 666 I HN -0.173 nan 8.210 nan 0.000 0.405 667 R N 0.742 121.241 120.500 -0.002 0.000 2.081 667 R HA -0.182 4.159 4.340 0.002 0.000 0.235 667 R C 2.006 178.278 176.300 -0.047 0.000 1.131 667 R CA 1.932 58.021 56.100 -0.019 0.000 0.960 667 R CB -0.862 29.433 30.300 -0.007 0.000 0.856 667 R HN 0.554 nan 8.270 nan 0.000 0.436 668 N N -0.707 117.960 118.700 -0.055 0.000 2.039 668 N HA -0.216 4.526 4.740 0.002 0.000 0.193 668 N C 1.796 177.213 175.510 -0.154 0.000 1.044 668 N CA 1.176 54.171 53.050 -0.092 0.000 0.847 668 N CB -0.073 38.362 38.487 -0.086 0.000 1.030 668 N HN -0.028 nan 8.380 nan 0.000 0.422 669 R N 0.899 121.276 120.500 -0.205 0.000 2.103 669 R HA -0.002 4.339 4.340 0.002 0.000 0.242 669 R C 2.026 178.191 176.300 -0.225 0.000 1.142 669 R CA 1.196 57.099 56.100 -0.329 0.000 0.960 669 R CB -0.774 29.276 30.300 -0.417 0.000 0.858 669 R HN 0.431 nan 8.270 nan 0.000 0.439 670 I N 0.085 120.574 120.570 -0.136 0.000 2.226 670 I HA -0.272 3.899 4.170 0.002 0.000 0.245 670 I C 1.742 177.805 176.117 -0.090 0.000 1.100 670 I CA 1.871 63.118 61.300 -0.089 0.000 1.374 670 I CB -0.321 37.649 38.000 -0.051 0.000 1.057 670 I HN 0.237 nan 8.210 nan 0.000 0.413 671 D N 0.241 120.586 120.400 -0.091 0.000 2.312 671 D HA -0.149 4.492 4.640 0.002 0.000 0.211 671 D C 1.948 178.191 176.300 -0.095 0.000 0.964 671 D CA 1.004 54.957 54.000 -0.078 0.000 0.877 671 D CB 0.156 40.916 40.800 -0.068 0.000 0.924 671 D HN 0.111 nan 8.370 nan 0.000 0.515 672 M N -0.200 119.322 119.600 -0.130 0.000 2.428 672 M HA 0.161 4.643 4.480 0.002 0.000 0.239 672 M C 0.933 177.154 176.300 -0.132 0.000 1.121 672 M CA 0.261 55.481 55.300 -0.134 0.000 1.019 672 M CB 0.522 33.011 32.600 -0.184 0.000 1.485 672 M HN 0.193 nan 8.290 nan 0.000 0.484 673 L N -1.211 119.925 121.223 -0.146 0.000 2.600 673 L HA 0.150 4.491 4.340 0.002 0.000 0.213 673 L C 1.141 177.848 176.870 -0.272 0.000 1.045 673 L CA 0.073 54.799 54.840 -0.190 0.000 0.863 673 L CB -0.292 41.705 42.059 -0.104 0.000 1.189 673 L HN 0.153 nan 8.230 nan 0.000 0.484 674 S N 1.466 117.070 115.700 -0.160 0.000 2.643 674 S HA 0.013 4.484 4.470 0.002 0.000 0.329 674 S C 0.279 174.808 174.600 -0.118 0.000 1.193 674 S CA -0.180 57.943 58.200 -0.128 0.000 1.293 674 S CB -0.286 62.876 63.200 -0.064 0.000 1.205 674 S HN 0.261 nan 8.310 nan 0.000 0.550 675 T N 3.064 117.509 114.554 -0.181 0.000 2.869 675 T HA 0.638 4.990 4.350 0.002 0.000 0.295 675 T C 0.695 175.443 174.700 0.080 0.000 0.987 675 T CA 0.551 62.618 62.100 -0.054 0.000 1.109 675 T CB 0.234 68.992 68.868 -0.184 0.000 0.932 675 T HN 1.276 nan 8.240 nan 0.000 0.518 676 G N 3.376 112.303 108.800 0.212 0.000 2.455 676 G HA2 0.370 4.332 3.960 0.002 0.000 0.223 676 G HA3 0.370 4.332 3.960 0.002 0.000 0.223 676 G C -1.800 173.284 174.900 0.307 0.000 1.226 676 G CA -0.214 45.033 45.100 0.245 0.000 0.948 676 G HN 1.082 nan 8.290 nan 0.000 0.478 677 I N -1.084 119.618 120.570 0.220 0.000 2.503 677 I HA 0.561 4.732 4.170 0.002 0.000 0.282 677 I C 0.897 177.122 176.117 0.181 0.000 1.059 677 I CA -0.954 60.521 61.300 0.291 0.000 1.081 677 I CB 1.453 39.582 38.000 0.215 0.000 1.210 677 I HN 0.696 nan 8.210 nan 0.000 0.450 678 K N 2.912 123.409 120.400 0.161 0.000 2.044 678 K HA -0.058 4.263 4.320 0.002 0.000 0.210 678 K C 0.585 177.251 176.600 0.110 0.000 1.049 678 K CA 1.384 57.728 56.287 0.094 0.000 0.927 678 K CB 0.068 32.601 32.500 0.055 0.000 0.713 678 K HN 0.759 nan 8.250 nan 0.000 0.443 679 S N 2.357 118.167 115.700 0.182 0.000 2.642 679 S HA -0.046 4.426 4.470 0.002 0.000 0.308 679 S C -1.846 172.835 174.600 0.135 0.000 1.255 679 S CA -0.764 57.548 58.200 0.187 0.000 1.057 679 S CB 0.769 64.178 63.200 0.348 0.000 0.785 679 S HN 0.227 nan 8.310 nan 0.000 0.500 680 P HA -0.067 nan 4.420 nan 0.000 0.216 680 P C 0.039 177.445 177.300 0.176 0.000 1.154 680 P CA 1.448 64.616 63.100 0.113 0.000 0.865 680 P CB 0.087 31.842 31.700 0.092 0.000 0.789 681 I N -3.918 116.755 120.570 0.172 0.000 3.006 681 I HA 0.619 4.790 4.170 0.002 0.000 0.306 681 I C -0.052 176.131 176.117 0.109 0.000 1.250 681 I CA -0.997 60.430 61.300 0.212 0.000 0.996 681 I CB 2.496 40.659 38.000 0.271 0.000 1.261 681 I HN -0.165 nan 8.210 nan 0.000 0.442 682 G N 3.032 111.868 108.800 0.061 0.000 2.608 682 G HA2 0.788 4.749 3.960 0.002 0.000 0.291 682 G HA3 0.788 4.749 3.960 0.002 0.000 0.291 682 G C -1.744 173.116 174.900 -0.066 0.000 1.425 682 G CA -0.542 44.513 45.100 -0.076 0.000 0.787 682 G HN 0.478 nan 8.290 nan 0.000 0.484 683 I N -0.624 119.866 120.570 -0.133 0.000 2.934 683 I HA 0.527 4.698 4.170 0.002 0.000 0.306 683 I C -0.792 175.178 176.117 -0.246 0.000 1.110 683 I CA -1.085 60.074 61.300 -0.235 0.000 1.019 683 I CB 2.840 40.678 38.000 -0.270 0.000 1.227 683 I HN 0.268 nan 8.210 nan 0.000 0.434 684 K N 2.970 123.169 120.400 -0.335 0.000 2.426 684 K HA 0.567 4.889 4.320 0.002 0.000 0.254 684 K C -1.271 175.205 176.600 -0.206 0.000 0.936 684 K CA -0.730 55.388 56.287 -0.283 0.000 0.801 684 K CB 3.103 35.314 32.500 -0.482 0.000 1.139 684 K HN 0.329 nan 8.250 nan 0.000 0.424 685 V N 3.067 122.929 119.914 -0.085 0.000 2.293 685 V HA 0.228 4.349 4.120 0.002 0.000 0.275 685 V C -0.744 175.342 176.094 -0.012 0.000 1.021 685 V CA -0.242 62.021 62.300 -0.063 0.000 0.815 685 V CB 0.910 32.711 31.823 -0.036 0.000 1.025 685 V HN 0.819 nan 8.190 nan 0.000 0.448 686 S N 4.701 120.383 115.700 -0.031 0.000 2.592 686 S HA 0.853 5.324 4.470 0.002 0.000 0.271 686 S C 0.392 175.002 174.600 0.016 0.000 1.326 686 S CA 0.187 58.389 58.200 0.004 0.000 1.024 686 S CB 1.489 64.679 63.200 -0.016 0.000 0.921 686 S HN 1.272 nan 8.310 nan 0.000 0.527 687 G N 0.258 109.081 108.800 0.038 0.000 2.600 687 G HA2 0.449 4.410 3.960 0.002 0.000 0.293 687 G HA3 0.449 4.410 3.960 0.002 0.000 0.293 687 G C 0.016 174.945 174.900 0.049 0.000 1.408 687 G CA -0.545 44.577 45.100 0.037 0.000 0.782 687 G HN 0.464 nan 8.290 nan 0.000 0.482 688 T N -0.866 113.711 114.554 0.038 0.000 3.044 688 T HA 0.316 4.668 4.350 0.002 0.000 0.255 688 T C 0.430 175.158 174.700 0.046 0.000 1.073 688 T CA 1.054 63.175 62.100 0.035 0.000 1.125 688 T CB 0.187 69.063 68.868 0.014 0.000 0.908 688 T HN 0.732 nan 8.240 nan 0.000 0.480 689 V N 1.994 121.938 119.914 0.049 0.000 2.841 689 V HA 0.388 4.509 4.120 0.002 0.000 0.310 689 V C 0.577 176.708 176.094 0.061 0.000 1.090 689 V CA -0.918 61.415 62.300 0.055 0.000 0.930 689 V CB 1.939 33.784 31.823 0.037 0.000 1.014 689 V HN 0.035 nan 8.190 nan 0.000 0.425 690 L N 4.934 126.200 121.223 0.070 0.000 2.043 690 L HA -0.101 4.241 4.340 0.002 0.000 0.212 690 L C 2.370 179.270 176.870 0.050 0.000 1.075 690 L CA 3.147 58.026 54.840 0.065 0.000 0.752 690 L CB -1.156 40.943 42.059 0.067 0.000 0.891 690 L HN 0.959 nan 8.230 nan 0.000 0.432 691 A N -0.270 122.576 122.820 0.044 0.000 1.883 691 A HA -0.255 4.066 4.320 0.002 0.000 0.217 691 A C 1.871 179.473 177.584 0.031 0.000 1.186 691 A CA 1.980 54.038 52.037 0.035 0.000 0.624 691 A CB -0.632 18.386 19.000 0.030 0.000 0.822 691 A HN 0.494 nan 8.150 nan 0.000 0.444 692 D N 0.361 120.779 120.400 0.030 0.000 2.088 692 D HA -0.177 4.464 4.640 0.002 0.000 0.191 692 D C 1.976 178.291 176.300 0.026 0.000 0.992 692 D CA 1.861 55.876 54.000 0.025 0.000 0.831 692 D CB -0.629 40.185 40.800 0.023 0.000 0.973 692 D HN 0.685 nan 8.370 nan 0.000 0.447 693 I N -0.817 119.773 120.570 0.033 0.000 2.614 693 I HA -0.153 4.019 4.170 0.002 0.000 0.258 693 I C 1.869 178.008 176.117 0.037 0.000 1.189 693 I CA 1.378 62.699 61.300 0.034 0.000 1.462 693 I CB -0.344 37.685 38.000 0.048 0.000 1.092 693 I HN -0.187 nan 8.210 nan 0.000 0.442 694 D N 2.181 122.603 120.400 0.037 0.000 2.097 694 D HA -0.135 4.506 4.640 0.002 0.000 0.197 694 D C 2.243 178.559 176.300 0.027 0.000 0.984 694 D CA 1.907 55.927 54.000 0.033 0.000 0.826 694 D CB 0.089 40.907 40.800 0.031 0.000 0.973 694 D HN 0.379 nan 8.370 nan 0.000 0.460 695 A N 0.408 123.243 122.820 0.024 0.000 1.978 695 A HA -0.173 4.149 4.320 0.002 0.000 0.220 695 A C 2.181 179.776 177.584 0.019 0.000 1.170 695 A CA 1.755 53.804 52.037 0.020 0.000 0.636 695 A CB -0.540 18.471 19.000 0.018 0.000 0.810 695 A HN 0.252 nan 8.150 nan 0.000 0.448 696 M N -0.281 119.329 119.600 0.018 0.000 2.086 696 M HA -0.089 4.393 4.480 0.002 0.000 0.261 696 M C 2.530 178.840 176.300 0.016 0.000 1.067 696 M CA 1.596 56.904 55.300 0.013 0.000 1.116 696 M CB -1.882 30.722 32.600 0.006 0.000 1.348 696 M HN 0.445 nan 8.290 nan 0.000 0.407 697 A N 0.469 123.303 122.820 0.023 0.000 1.917 697 A HA -0.184 4.137 4.320 0.002 0.000 0.219 697 A C 2.128 179.730 177.584 0.029 0.000 1.182 697 A CA 1.719 53.774 52.037 0.030 0.000 0.633 697 A CB -0.612 18.413 19.000 0.042 0.000 0.819 697 A HN 0.502 nan 8.150 nan 0.000 0.448 698 E N -0.140 120.075 120.200 0.024 0.000 2.058 698 E HA -0.275 4.077 4.350 0.002 0.000 0.194 698 E C 2.219 178.832 176.600 0.021 0.000 0.997 698 E CA 1.898 58.310 56.400 0.022 0.000 0.801 698 E CB -0.489 29.222 29.700 0.018 0.000 0.746 698 E HN 0.980 nan 8.360 nan 0.000 0.450 699 Q N 0.713 120.524 119.800 0.020 0.000 2.172 699 Q HA -0.020 4.321 4.340 0.002 0.000 0.200 699 Q C 2.045 178.058 176.000 0.022 0.000 0.964 699 Q CA 1.167 56.982 55.803 0.019 0.000 0.855 699 Q CB -0.488 28.260 28.738 0.017 0.000 0.918 699 Q HN 0.270 nan 8.270 nan 0.000 0.444 700 I N 0.807 121.391 120.570 0.023 0.000 2.439 700 I HA -0.184 3.988 4.170 0.002 0.000 0.251 700 I C 2.578 178.715 176.117 0.034 0.000 1.139 700 I CA 1.120 62.436 61.300 0.028 0.000 1.438 700 I CB -0.373 37.639 38.000 0.021 0.000 1.085 700 I HN 0.413 nan 8.210 nan 0.000 0.427 701 E N 2.042 122.262 120.200 0.033 0.000 2.065 701 E HA -0.313 4.039 4.350 0.002 0.000 0.201 701 E C 1.873 178.493 176.600 0.033 0.000 1.016 701 E CA 2.398 58.820 56.400 0.036 0.000 0.818 701 E CB -0.195 29.524 29.700 0.032 0.000 0.749 701 E HN 0.719 nan 8.360 nan 0.000 0.453 702 E N 0.019 120.236 120.200 0.028 0.000 2.118 702 E HA -0.152 4.199 4.350 0.002 0.000 0.195 702 E C 2.164 178.781 176.600 0.028 0.000 0.992 702 E CA 1.731 58.146 56.400 0.025 0.000 0.804 702 E CB -0.409 29.303 29.700 0.021 0.000 0.741 702 E HN 0.165 nan 8.360 nan 0.000 0.458 703 V N 1.194 121.127 119.914 0.031 0.000 2.809 703 V HA -0.139 3.982 4.120 0.002 0.000 0.256 703 V C 2.431 178.549 176.094 0.040 0.000 1.080 703 V CA 1.418 63.739 62.300 0.035 0.000 1.102 703 V CB -0.422 31.426 31.823 0.041 0.000 0.705 703 V HN 0.488 nan 8.190 nan 0.000 0.475 704 A N 0.535 123.380 122.820 0.042 0.000 1.855 704 A HA -0.131 4.191 4.320 0.002 0.000 0.213 704 A C 2.328 179.935 177.584 0.038 0.000 1.195 704 A CA 1.520 53.585 52.037 0.046 0.000 0.610 704 A CB -0.434 18.598 19.000 0.053 0.000 0.837 704 A HN 0.406 nan 8.150 nan 0.000 0.444 705 R N -0.782 119.738 120.500 0.033 0.000 2.148 705 R HA -0.062 4.279 4.340 0.002 0.000 0.227 705 R C 2.247 178.561 176.300 0.024 0.000 1.103 705 R CA 1.922 58.039 56.100 0.027 0.000 0.983 705 R CB -0.794 29.521 30.300 0.024 0.000 0.874 705 R HN 0.522 nan 8.270 nan 0.000 0.451 706 T N -1.169 113.399 114.554 0.024 0.000 2.809 706 T HA 0.069 4.420 4.350 0.002 0.000 0.260 706 T C 0.362 175.074 174.700 0.019 0.000 1.039 706 T CA 0.757 62.869 62.100 0.020 0.000 1.141 706 T CB -0.172 68.708 68.868 0.020 0.000 0.869 706 T HN 0.044 nan 8.240 nan 0.000 0.437 707 V N 3.793 123.720 119.914 0.022 0.000 2.617 707 V HA 0.208 4.330 4.120 0.002 0.000 0.304 707 V C -2.209 173.894 176.094 0.016 0.000 1.040 707 V CA -1.717 60.594 62.300 0.019 0.000 1.149 707 V CB 0.610 32.447 31.823 0.023 0.000 0.914 707 V HN 0.340 nan 8.190 nan 0.000 0.487 708 P HA 0.208 nan 4.420 nan 0.000 0.242 708 P C -0.119 177.186 177.300 0.009 0.000 1.116 708 P CA 1.012 64.117 63.100 0.009 0.000 0.954 708 P CB -0.366 31.337 31.700 0.004 0.000 0.908 709 G N 1.934 110.742 108.800 0.013 0.000 2.030 709 G HA2 0.316 4.277 3.960 0.002 0.000 0.309 709 G HA3 0.316 4.277 3.960 0.002 0.000 0.309 709 G C -0.742 174.171 174.900 0.021 0.000 1.668 709 G CA -0.672 44.437 45.100 0.015 0.000 0.926 709 G HN 0.369 nan 8.290 nan 0.000 0.652 710 V N 0.544 120.470 119.914 0.021 0.000 2.521 710 V HA 0.840 4.961 4.120 0.002 0.000 0.286 710 V C 0.487 176.598 176.094 0.029 0.000 1.034 710 V CA 0.631 62.945 62.300 0.023 0.000 1.045 710 V CB 0.579 32.415 31.823 0.021 0.000 0.974 710 V HN 2.397 nan 8.190 nan 0.000 0.480 711 A N 3.671 126.510 122.820 0.031 0.000 2.549 711 A HA 0.721 5.042 4.320 0.002 0.000 0.291 711 A C -0.574 177.033 177.584 0.038 0.000 1.034 711 A CA -0.053 52.007 52.037 0.039 0.000 0.655 711 A CB 1.127 20.157 19.000 0.050 0.000 1.299 711 A HN 1.517 nan 8.150 nan 0.000 0.427 712 S N 0.184 115.910 115.700 0.043 0.000 2.669 712 S HA 0.614 5.085 4.470 0.002 0.000 0.315 712 S C -0.105 174.529 174.600 0.057 0.000 1.106 712 S CA 0.267 58.490 58.200 0.039 0.000 1.107 712 S CB 0.521 63.735 63.200 0.024 0.000 0.990 712 S HN 2.061 nan 8.310 nan 0.000 0.471 713 A N 5.932 128.788 122.820 0.059 0.000 2.395 713 A HA 0.458 4.780 4.320 0.002 0.000 0.286 713 A C 0.021 177.652 177.584 0.078 0.000 1.193 713 A CA -0.299 51.786 52.037 0.081 0.000 0.852 713 A CB -0.287 18.754 19.000 0.068 0.000 1.118 713 A HN 0.884 nan 8.150 nan 0.000 0.524 714 L N 3.540 124.831 121.223 0.114 0.000 2.334 714 L HA 0.245 4.587 4.340 0.002 0.000 0.286 714 L C 1.463 178.403 176.870 0.118 0.000 1.108 714 L CA -0.366 54.523 54.840 0.083 0.000 0.875 714 L CB 0.562 42.638 42.059 0.027 0.000 1.246 714 L HN 0.866 nan 8.230 nan 0.000 0.439 715 A N 3.905 126.766 122.820 0.068 0.000 1.832 715 A HA -0.036 4.285 4.320 0.002 0.000 0.214 715 A C 0.953 178.567 177.584 0.049 0.000 1.204 715 A CA 1.264 53.340 52.037 0.064 0.000 0.606 715 A CB 0.106 19.130 19.000 0.040 0.000 0.849 715 A HN 0.724 nan 8.150 nan 0.000 0.445 716 E N -1.183 119.024 120.200 0.013 0.000 2.777 716 E HA 0.167 4.518 4.350 0.002 0.000 0.375 716 E C -0.902 175.673 176.600 -0.043 0.000 1.093 716 E CA -0.542 55.849 56.400 -0.015 0.000 0.755 716 E CB -0.371 29.325 29.700 -0.008 0.000 1.595 716 E HN 0.236 nan 8.360 nan 0.000 0.380 717 R N 1.386 121.845 120.500 -0.068 0.000 2.346 717 R HA 0.227 4.568 4.340 0.002 0.000 0.208 717 R C 1.109 177.351 176.300 -0.097 0.000 1.052 717 R CA 0.154 56.203 56.100 -0.085 0.000 1.116 717 R CB -0.413 29.821 30.300 -0.110 0.000 1.003 717 R HN 0.478 nan 8.270 nan 0.000 0.482 718 L N 0.053 121.222 121.223 -0.089 0.000 2.221 718 L HA -0.021 4.320 4.340 0.002 0.000 0.202 718 L C 1.288 178.109 176.870 -0.082 0.000 1.074 718 L CA 0.620 55.402 54.840 -0.097 0.000 0.795 718 L CB -0.143 41.857 42.059 -0.099 0.000 0.960 718 L HN 0.155 nan 8.230 nan 0.000 0.458 719 E N 0.939 121.100 120.200 -0.066 0.000 2.705 719 E HA 0.031 4.383 4.350 0.002 0.000 0.272 719 E C 0.934 177.474 176.600 -0.099 0.000 1.528 719 E CA 0.089 56.447 56.400 -0.069 0.000 1.750 719 E CB -0.248 29.428 29.700 -0.039 0.000 1.439 719 E HN 0.278 nan 8.360 nan 0.000 0.449 720 G N 0.866 109.599 108.800 -0.113 0.000 3.448 720 G HA2 0.212 4.174 3.960 0.002 0.000 0.261 720 G HA3 0.212 4.174 3.960 0.002 0.000 0.261 720 G C 0.380 175.180 174.900 -0.166 0.000 1.173 720 G CA -0.227 44.800 45.100 -0.121 0.000 0.835 720 G HN 0.383 nan 8.290 nan 0.000 0.534 721 G N 0.384 109.036 108.800 -0.247 0.000 2.338 721 G HA2 0.502 4.463 3.960 0.002 0.000 0.298 721 G HA3 0.502 4.463 3.960 0.002 0.000 0.298 721 G C -0.135 174.460 174.900 -0.508 0.000 1.140 721 G CA -0.740 44.131 45.100 -0.382 0.000 0.860 721 G HN 0.162 nan 8.290 nan 0.000 0.470 722 R N 1.787 122.077 120.500 -0.349 0.000 2.265 722 R HA 0.321 4.662 4.340 0.002 0.000 0.319 722 R C -0.982 175.235 176.300 -0.139 0.000 1.006 722 R CA -0.177 55.790 56.100 -0.222 0.000 0.880 722 R CB 1.247 31.491 30.300 -0.094 0.000 1.077 722 R HN 0.646 nan 8.270 nan 0.000 0.454 723 Y N 1.422 121.736 120.300 0.022 0.000 2.630 723 Y HA 0.539 5.090 4.550 0.002 0.000 0.337 723 Y C 0.664 176.579 175.900 0.024 0.000 1.051 723 Y CA -1.253 56.865 58.100 0.030 0.000 1.121 723 Y CB 2.424 40.898 38.460 0.024 0.000 1.299 723 Y HN 0.273 nan 8.280 nan 0.000 0.498 724 I N 2.084 122.782 120.570 0.212 0.000 2.641 724 I HA 0.152 4.324 4.170 0.002 0.000 0.275 724 I C -1.290 174.858 176.117 0.052 0.000 1.129 724 I CA -0.384 60.980 61.300 0.107 0.000 1.094 724 I CB 0.706 38.756 38.000 0.082 0.000 1.232 724 I HN 0.605 nan 8.210 nan 0.000 0.503 725 N N 4.309 123.036 118.700 0.044 0.000 2.429 725 N HA 0.082 4.823 4.740 0.002 0.000 0.271 725 N C -0.251 175.258 175.510 -0.001 0.000 1.272 725 N CA -0.135 52.914 53.050 -0.001 0.000 0.921 725 N CB 1.135 39.627 38.487 0.007 0.000 1.128 725 N HN 0.214 nan 8.380 nan 0.000 0.481 726 V N 3.516 123.421 119.914 -0.016 0.000 2.299 726 V HA 0.021 4.142 4.120 0.002 0.000 0.255 726 V C 0.151 176.237 176.094 -0.013 0.000 1.100 726 V CA -0.308 61.986 62.300 -0.010 0.000 0.938 726 V CB 0.030 31.846 31.823 -0.011 0.000 1.139 726 V HN 0.587 nan 8.190 nan 0.000 0.490 727 E N 4.222 124.419 120.200 -0.006 0.000 1.944 727 E HA 0.182 4.533 4.350 0.002 0.000 0.272 727 E C -0.208 176.391 176.600 -0.001 0.000 1.195 727 E CA -0.392 56.005 56.400 -0.005 0.000 0.926 727 E CB 1.027 30.727 29.700 0.001 0.000 1.051 727 E HN 0.424 nan 8.360 nan 0.000 0.404 728 I N 3.417 123.986 120.570 -0.002 0.000 2.494 728 I HA -0.114 4.057 4.170 0.002 0.000 0.289 728 I C 0.939 177.061 176.117 0.009 0.000 1.106 728 I CA 0.099 61.401 61.300 0.004 0.000 1.369 728 I CB -0.188 37.816 38.000 0.006 0.000 1.410 728 I HN 0.150 nan 8.210 nan 0.000 0.523 729 N N 6.330 125.039 118.700 0.015 0.000 2.421 729 N HA 0.008 4.749 4.740 0.002 0.000 0.260 729 N C 1.214 176.741 175.510 0.029 0.000 1.173 729 N CA -0.409 52.653 53.050 0.021 0.000 0.960 729 N CB 0.416 38.918 38.487 0.025 0.000 1.273 729 N HN 0.332 nan 8.380 nan 0.000 0.497 730 R N 3.012 123.526 120.500 0.024 0.000 2.140 730 R HA -0.226 4.115 4.340 0.002 0.000 0.250 730 R C 1.573 177.894 176.300 0.036 0.000 1.150 730 R CA 1.718 57.835 56.100 0.028 0.000 0.966 730 R CB -0.824 29.487 30.300 0.019 0.000 0.869 730 R HN 0.626 nan 8.270 nan 0.000 0.445 731 E N 0.903 121.121 120.200 0.031 0.000 2.110 731 E HA -0.139 4.213 4.350 0.002 0.000 0.193 731 E C 1.336 177.963 176.600 0.045 0.000 0.988 731 E CA 1.226 57.643 56.400 0.029 0.000 0.804 731 E CB 0.105 29.817 29.700 0.019 0.000 0.745 731 E HN 0.523 nan 8.360 nan 0.000 0.458 732 K N -0.290 120.150 120.400 0.065 0.000 2.228 732 K HA 0.041 4.363 4.320 0.002 0.000 0.202 732 K C 2.058 178.779 176.600 0.201 0.000 1.051 732 K CA 0.737 57.094 56.287 0.117 0.000 0.960 732 K CB 0.143 32.710 32.500 0.111 0.000 0.743 732 K HN 0.050 nan 8.250 nan 0.000 0.458 733 A N 1.958 124.858 122.820 0.133 0.000 1.968 733 A HA 0.034 4.355 4.320 0.002 0.000 0.217 733 A C 2.424 180.097 177.584 0.147 0.000 1.169 733 A CA 1.416 53.537 52.037 0.140 0.000 0.638 733 A CB -0.441 18.604 19.000 0.074 0.000 0.812 733 A HN 0.289 nan 8.150 nan 0.000 0.446 734 A N 0.441 123.316 122.820 0.093 0.000 1.858 734 A HA -0.162 4.160 4.320 0.002 0.000 0.216 734 A C 2.125 179.733 177.584 0.040 0.000 1.190 734 A CA 1.510 53.582 52.037 0.058 0.000 0.617 734 A CB -0.514 18.504 19.000 0.031 0.000 0.827 734 A HN 0.517 nan 8.150 nan 0.000 0.443 735 R N -2.011 118.494 120.500 0.008 0.000 2.261 735 R HA -0.172 4.169 4.340 0.002 0.000 0.236 735 R C 0.809 176.980 176.300 -0.215 0.000 1.141 735 R CA 1.577 57.607 56.100 -0.116 0.000 1.001 735 R CB -0.395 29.797 30.300 -0.180 0.000 0.866 735 R HN 0.692 nan 8.270 nan 0.000 0.468 736 Y N -0.630 119.671 120.300 0.002 0.000 2.485 736 Y HA 0.259 4.810 4.550 0.002 0.000 0.260 736 Y C 1.230 177.136 175.900 0.010 0.000 1.173 736 Y CA 0.058 58.160 58.100 0.004 0.000 1.252 736 Y CB 0.829 39.289 38.460 -0.000 0.000 1.123 736 Y HN 0.143 nan 8.280 nan 0.000 0.524 737 G N 1.522 110.389 108.800 0.112 0.000 2.366 737 G HA2 -0.304 3.657 3.960 0.002 0.000 0.299 737 G HA3 -0.304 3.657 3.960 0.002 0.000 0.299 737 G C -0.100 174.857 174.900 0.095 0.000 1.020 737 G CA 0.194 45.342 45.100 0.079 0.000 1.026 737 G HN 0.265 nan 8.290 nan 0.000 0.512 738 M N 0.564 120.229 119.600 0.107 0.000 2.456 738 M HA 0.392 4.874 4.480 0.002 0.000 0.324 738 M C 0.758 177.100 176.300 0.069 0.000 1.124 738 M CA -0.554 54.802 55.300 0.093 0.000 0.959 738 M CB 2.192 34.854 32.600 0.104 0.000 1.692 738 M HN 0.397 nan 8.290 nan 0.000 0.444 739 T N -0.646 113.942 114.554 0.056 0.000 2.856 739 T HA 0.311 4.662 4.350 0.002 0.000 0.292 739 T C 1.257 175.980 174.700 0.039 0.000 0.980 739 T CA -0.960 61.163 62.100 0.038 0.000 1.091 739 T CB 0.794 69.676 68.868 0.025 0.000 0.936 739 T HN 0.561 nan 8.240 nan 0.000 0.503 740 V N 1.223 121.154 119.914 0.029 0.000 2.439 740 V HA -0.163 3.959 4.120 0.002 0.000 0.253 740 V C 2.889 178.995 176.094 0.019 0.000 1.074 740 V CA 1.847 64.162 62.300 0.025 0.000 1.076 740 V CB -2.091 29.740 31.823 0.013 0.000 0.664 740 V HN 1.042 nan 8.190 nan 0.000 0.461 741 A N 0.375 123.200 122.820 0.008 0.000 1.877 741 A HA -0.249 4.072 4.320 0.002 0.000 0.216 741 A C 2.070 179.643 177.584 -0.017 0.000 1.186 741 A CA 2.038 54.069 52.037 -0.009 0.000 0.620 741 A CB -0.857 18.134 19.000 -0.015 0.000 0.822 741 A HN 0.536 nan 8.150 nan 0.000 0.443 742 D N -0.364 120.037 120.400 0.003 0.000 2.144 742 D HA -0.103 4.538 4.640 0.002 0.000 0.199 742 D C 2.084 178.446 176.300 0.103 0.000 0.984 742 D CA 1.334 55.336 54.000 0.002 0.000 0.834 742 D CB -0.221 40.613 40.800 0.057 0.000 0.955 742 D HN 0.193 nan 8.370 nan 0.000 0.465 743 V N 0.848 120.860 119.914 0.163 0.000 2.295 743 V HA -0.260 3.862 4.120 0.002 0.000 0.246 743 V C 2.391 178.612 176.094 0.212 0.000 1.049 743 V CA 1.643 64.093 62.300 0.250 0.000 1.024 743 V CB -0.463 31.421 31.823 0.102 0.000 0.648 743 V HN 0.227 nan 8.190 nan 0.000 0.447 744 Q N -0.769 119.069 119.800 0.062 0.000 2.291 744 Q HA -0.136 4.205 4.340 0.002 0.000 0.205 744 Q C 2.254 178.216 176.000 -0.064 0.000 0.970 744 Q CA 0.861 56.665 55.803 0.003 0.000 0.876 744 Q CB -0.256 28.469 28.738 -0.022 0.000 0.935 744 Q HN 0.419 nan 8.270 nan 0.000 0.455 745 L N 0.107 121.232 121.223 -0.162 0.000 2.043 745 L HA -0.202 4.139 4.340 0.002 0.000 0.212 745 L C 1.708 178.332 176.870 -0.410 0.000 1.075 745 L CA 1.962 56.594 54.840 -0.348 0.000 0.752 745 L CB -0.732 40.983 42.059 -0.573 0.000 0.891 745 L HN 0.234 nan 8.230 nan 0.000 0.432 746 F N -1.605 118.262 119.950 -0.139 0.000 2.234 746 F HA -0.084 4.445 4.527 0.002 0.000 0.296 746 F C 2.509 178.188 175.800 -0.202 0.000 1.089 746 F CA 0.633 58.492 58.000 -0.234 0.000 1.343 746 F CB -0.943 37.910 39.000 -0.244 0.000 1.040 746 F HN -0.203 nan 8.300 nan 0.000 0.498 747 V N -0.310 119.631 119.914 0.045 0.000 2.407 747 V HA -0.256 3.865 4.120 0.002 0.000 0.248 747 V C 2.087 178.159 176.094 -0.037 0.000 1.055 747 V CA 2.486 64.785 62.300 -0.002 0.000 1.049 747 V CB -0.707 31.114 31.823 -0.004 0.000 0.662 747 V HN 0.421 nan 8.190 nan 0.000 0.455 748 T N -1.772 112.745 114.554 -0.060 0.000 2.983 748 T HA -0.006 4.346 4.350 0.002 0.000 0.250 748 T C 2.027 176.695 174.700 -0.053 0.000 1.037 748 T CA 1.286 63.350 62.100 -0.060 0.000 1.142 748 T CB 0.152 68.982 68.868 -0.065 0.000 0.876 748 T HN 0.425 nan 8.240 nan 0.000 0.455 749 S N 1.278 116.928 115.700 -0.085 0.000 2.384 749 S HA 0.291 4.763 4.470 0.002 0.000 0.217 749 S C 2.570 177.133 174.600 -0.062 0.000 1.041 749 S CA 0.552 58.714 58.200 -0.064 0.000 0.948 749 S CB -0.485 62.663 63.200 -0.088 0.000 0.872 749 S HN 0.474 nan 8.310 nan 0.000 0.512 750 A N 1.022 123.743 122.820 -0.164 0.000 1.902 750 A HA -0.026 4.296 4.320 0.002 0.000 0.217 750 A C 2.104 179.607 177.584 -0.135 0.000 1.181 750 A CA 1.629 53.488 52.037 -0.296 0.000 0.623 750 A CB -0.582 17.858 19.000 -0.932 0.000 0.818 750 A HN 0.354 nan 8.150 nan 0.000 0.443 751 V N -1.536 118.323 119.914 -0.092 0.000 3.431 751 V HA 0.131 4.252 4.120 0.002 0.000 0.253 751 V C 2.294 178.406 176.094 0.030 0.000 1.184 751 V CA 1.037 63.336 62.300 -0.002 0.000 1.104 751 V CB -0.086 31.736 31.823 -0.003 0.000 0.799 751 V HN 0.574 nan 8.190 nan 0.000 0.462 752 G N 0.145 108.951 108.800 0.010 0.000 2.682 752 G HA2 0.414 4.375 3.960 0.002 0.000 0.221 752 G HA3 0.414 4.375 3.960 0.002 0.000 0.221 752 G C 0.998 175.926 174.900 0.047 0.000 1.386 752 G CA 0.866 45.981 45.100 0.026 0.000 0.909 752 G HN 1.038 nan 8.290 nan 0.000 0.558 753 G N -1.166 107.656 108.800 0.036 0.000 2.263 753 G HA2 0.374 4.336 3.960 0.002 0.000 0.207 753 G HA3 0.374 4.336 3.960 0.002 0.000 0.207 753 G C 0.178 175.110 174.900 0.053 0.000 1.072 753 G CA 0.138 45.271 45.100 0.056 0.000 0.800 753 G HN 1.307 nan 8.290 nan 0.000 0.491 754 A N 1.227 124.067 122.820 0.033 0.000 2.553 754 A HA 0.467 4.788 4.320 0.002 0.000 0.258 754 A C 1.085 178.700 177.584 0.053 0.000 1.069 754 A CA 0.970 53.030 52.037 0.038 0.000 0.767 754 A CB -0.102 18.909 19.000 0.019 0.000 0.997 754 A HN 1.722 nan 8.150 nan 0.000 0.512 755 M N 4.082 123.722 119.600 0.067 0.000 2.290 755 M HA 0.100 4.582 4.480 0.002 0.000 0.356 755 M C 0.129 176.472 176.300 0.072 0.000 1.448 755 M CA 0.707 56.055 55.300 0.080 0.000 0.993 755 M CB 0.492 33.144 32.600 0.087 0.000 1.934 755 M HN 0.485 nan 8.290 nan 0.000 0.461 756 V N 5.605 125.568 119.914 0.082 0.000 3.249 756 V HA 0.559 4.680 4.120 0.002 0.000 0.338 756 V C 0.295 176.435 176.094 0.078 0.000 1.363 756 V CA 1.057 63.397 62.300 0.067 0.000 1.205 756 V CB -0.623 31.237 31.823 0.062 0.000 1.164 756 V HN 1.173 nan 8.190 nan 0.000 0.458 757 G N 0.152 109.008 108.800 0.095 0.000 2.326 757 G HA2 0.107 4.068 3.960 0.002 0.000 0.413 757 G HA3 0.107 4.068 3.960 0.002 0.000 0.413 757 G C -1.213 173.774 174.900 0.145 0.000 1.444 757 G CA -0.755 44.406 45.100 0.101 0.000 1.002 757 G HN 0.305 nan 8.290 nan 0.000 0.649 758 E N -0.884 119.402 120.200 0.144 0.000 2.320 758 E HA 0.711 5.062 4.350 0.002 0.000 0.264 758 E C -0.363 176.362 176.600 0.209 0.000 0.923 758 E CA -0.738 55.773 56.400 0.185 0.000 0.796 758 E CB 2.296 32.079 29.700 0.138 0.000 1.262 758 E HN 0.756 nan 8.360 nan 0.000 0.428 759 T N -2.043 112.677 114.554 0.276 0.000 2.786 759 T HA 0.412 4.764 4.350 0.002 0.000 0.283 759 T C -0.090 174.724 174.700 0.189 0.000 0.992 759 T CA -0.888 61.384 62.100 0.287 0.000 0.954 759 T CB 0.614 69.763 68.868 0.468 0.000 0.934 759 T HN 0.200 nan 8.240 nan 0.000 0.440 760 V N 2.910 122.887 119.914 0.105 0.000 2.439 760 V HA 0.402 4.523 4.120 0.002 0.000 0.271 760 V C 0.288 176.311 176.094 -0.119 0.000 1.040 760 V CA -0.625 61.657 62.300 -0.031 0.000 1.002 760 V CB -0.334 31.452 31.823 -0.062 0.000 1.000 760 V HN 0.908 nan 8.190 nan 0.000 0.477 761 E N 3.393 123.532 120.200 -0.103 0.000 2.191 761 E HA 0.502 4.854 4.350 0.002 0.000 0.274 761 E C 0.427 176.927 176.600 -0.166 0.000 0.948 761 E CA -0.715 55.622 56.400 -0.105 0.000 0.802 761 E CB 2.159 31.851 29.700 -0.013 0.000 1.137 761 E HN 0.832 nan 8.360 nan 0.000 0.397 762 G N 1.838 110.550 108.800 -0.147 0.000 2.272 762 G HA2 0.122 4.084 3.960 0.002 0.000 0.247 762 G HA3 0.122 4.084 3.960 0.002 0.000 0.247 762 G C 0.721 175.543 174.900 -0.130 0.000 1.272 762 G CA 0.373 45.398 45.100 -0.125 0.000 0.921 762 G HN 0.858 nan 8.290 nan 0.000 0.495 763 I N -0.444 120.067 120.570 -0.098 0.000 5.588 763 I HA -0.238 3.933 4.170 0.002 0.000 0.194 763 I C 0.430 176.409 176.117 -0.231 0.000 1.813 763 I CA 1.073 62.336 61.300 -0.061 0.000 1.983 763 I CB -1.034 36.974 38.000 0.014 0.000 3.358 763 I HN 1.074 nan 8.210 nan 0.000 0.182 764 A N 1.299 123.849 122.820 -0.451 0.000 2.572 764 A HA 0.873 5.195 4.320 0.002 0.000 0.295 764 A C -0.385 176.859 177.584 -0.567 0.000 1.072 764 A CA -0.336 51.132 52.037 -0.949 0.000 0.691 764 A CB 1.624 19.535 19.000 -1.814 0.000 1.291 764 A HN 0.396 nan 8.150 nan 0.000 0.404 765 R N 1.479 121.632 120.500 -0.580 0.000 2.514 765 R HA 0.588 4.930 4.340 0.002 0.000 0.296 765 R C -2.086 173.976 176.300 -0.396 0.000 1.012 765 R CA -0.317 55.615 56.100 -0.281 0.000 0.897 765 R CB 1.031 31.304 30.300 -0.044 0.000 1.184 765 R HN 0.727 nan 8.270 nan 0.000 0.440 766 Y N 4.021 124.325 120.300 0.006 0.000 2.457 766 Y HA 0.502 5.053 4.550 0.002 0.000 0.333 766 Y C -1.887 174.043 175.900 0.050 0.000 1.119 766 Y CA -2.421 55.673 58.100 -0.009 0.000 1.143 766 Y CB 1.629 39.958 38.460 -0.218 0.000 1.230 766 Y HN 0.455 nan 8.280 nan 0.000 0.469 767 P HA 0.306 nan 4.420 nan 0.000 0.282 767 P C -0.806 176.612 177.300 0.196 0.000 1.249 767 P CA -0.088 63.113 63.100 0.169 0.000 0.806 767 P CB 1.675 33.453 31.700 0.129 0.000 0.984 768 I N 2.705 123.413 120.570 0.229 0.000 2.339 768 I HA 0.302 4.473 4.170 0.002 0.000 0.290 768 I C 0.409 176.635 176.117 0.182 0.000 0.994 768 I CA -0.513 60.949 61.300 0.269 0.000 1.191 768 I CB 1.159 39.356 38.000 0.328 0.000 1.343 768 I HN 0.253 nan 8.210 nan 0.000 0.458 769 N N 6.634 125.429 118.700 0.159 0.000 2.407 769 N HA 0.358 5.100 4.740 0.002 0.000 0.277 769 N C -1.549 174.030 175.510 0.116 0.000 0.995 769 N CA -0.524 52.598 53.050 0.119 0.000 0.903 769 N CB 1.911 40.457 38.487 0.099 0.000 1.218 769 N HN 0.367 nan 8.380 nan 0.000 0.487 770 L N 5.271 126.555 121.223 0.102 0.000 2.283 770 L HA 0.541 4.882 4.340 0.002 0.000 0.281 770 L C -0.478 176.451 176.870 0.098 0.000 1.033 770 L CA -0.347 54.553 54.840 0.100 0.000 0.848 770 L CB -0.034 42.075 42.059 0.083 0.000 1.226 770 L HN 0.607 nan 8.230 nan 0.000 0.429 771 R N 2.767 123.347 120.500 0.133 0.000 2.707 771 R HA 0.430 4.772 4.340 0.002 0.000 0.272 771 R C -1.052 175.416 176.300 0.280 0.000 1.011 771 R CA -0.924 55.274 56.100 0.164 0.000 0.893 771 R CB 0.839 31.217 30.300 0.131 0.000 1.233 771 R HN 0.309 nan 8.270 nan 0.000 0.464 772 Y N 1.026 121.372 120.300 0.076 0.000 2.459 772 Y HA 0.089 4.640 4.550 0.002 0.000 0.349 772 Y C -1.566 174.431 175.900 0.162 0.000 1.266 772 Y CA -1.696 56.454 58.100 0.084 0.000 1.483 772 Y CB 0.629 39.127 38.460 0.064 0.000 1.362 772 Y HN 0.324 nan 8.280 nan 0.000 0.628 773 P HA -0.105 nan 4.420 nan 0.000 0.266 773 P C -0.082 177.405 177.300 0.313 0.000 1.195 773 P CA -0.007 63.285 63.100 0.321 0.000 0.768 773 P CB 0.549 32.494 31.700 0.408 0.000 0.838 774 Q N 1.504 121.413 119.800 0.181 0.000 2.197 774 Q HA -0.226 4.115 4.340 0.002 0.000 0.211 774 Q C 1.388 177.446 176.000 0.096 0.000 0.993 774 Q CA 2.265 58.143 55.803 0.125 0.000 0.883 774 Q CB -1.818 26.963 28.738 0.072 0.000 0.916 774 Q HN 0.357 nan 8.270 nan 0.000 0.418 775 S N 0.466 116.189 115.700 0.038 0.000 2.382 775 S HA -0.105 4.367 4.470 0.002 0.000 0.228 775 S C 1.206 175.711 174.600 -0.157 0.000 1.027 775 S CA 1.316 59.428 58.200 -0.145 0.000 0.991 775 S CB -0.375 62.612 63.200 -0.356 0.000 0.823 775 S HN 0.601 nan 8.310 nan 0.000 0.469 776 W N 1.664 123.010 121.300 0.076 0.000 3.139 776 W HA 0.206 4.867 4.660 0.002 0.000 0.260 776 W C 1.450 178.033 176.519 0.107 0.000 1.312 776 W CA -0.335 57.071 57.345 0.103 0.000 1.606 776 W CB -0.031 29.531 29.460 0.170 0.000 1.118 776 W HN 0.115 nan 8.180 nan 0.000 0.675 777 R N -0.064 120.592 120.500 0.261 0.000 2.586 777 R HA 0.124 4.465 4.340 0.002 0.000 0.336 777 R C 0.335 176.700 176.300 0.109 0.000 1.060 777 R CA -0.066 56.142 56.100 0.181 0.000 1.079 777 R CB 0.077 30.480 30.300 0.171 0.000 1.317 777 R HN 0.009 nan 8.270 nan 0.000 0.568 778 D N 1.146 121.592 120.400 0.078 0.000 2.194 778 D HA -0.036 4.606 4.640 0.002 0.000 0.204 778 D C 0.556 176.878 176.300 0.035 0.000 0.964 778 D CA 1.152 55.176 54.000 0.039 0.000 0.846 778 D CB 0.399 41.200 40.800 0.001 0.000 0.962 778 D HN 0.238 nan 8.370 nan 0.000 0.490 779 S N -2.285 113.440 115.700 0.042 0.000 2.565 779 S HA 0.388 4.860 4.470 0.002 0.000 0.269 779 S C -2.521 172.106 174.600 0.045 0.000 1.153 779 S CA -1.165 57.056 58.200 0.036 0.000 0.835 779 S CB 2.066 65.277 63.200 0.019 0.000 1.122 779 S HN -0.341 nan 8.310 nan 0.000 0.462 780 P HA -0.214 nan 4.420 nan 0.000 0.218 780 P C 1.628 178.952 177.300 0.041 0.000 1.154 780 P CA 1.734 64.858 63.100 0.041 0.000 0.872 780 P CB 0.059 31.779 31.700 0.034 0.000 0.790 781 Q N -0.290 119.531 119.800 0.034 0.000 2.045 781 Q HA -0.191 4.150 4.340 0.002 0.000 0.206 781 Q C 2.162 178.194 176.000 0.054 0.000 0.991 781 Q CA 2.343 58.166 55.803 0.034 0.000 0.851 781 Q CB -1.437 27.314 28.738 0.022 0.000 0.911 781 Q HN 0.131 nan 8.270 nan 0.000 0.418 782 A N -0.075 122.781 122.820 0.060 0.000 1.903 782 A HA -0.233 4.088 4.320 0.002 0.000 0.219 782 A C 1.971 179.636 177.584 0.135 0.000 1.191 782 A CA 1.845 53.945 52.037 0.106 0.000 0.638 782 A CB -0.962 18.098 19.000 0.101 0.000 0.823 782 A HN 0.433 nan 8.150 nan 0.000 0.451 783 L N -0.489 120.793 121.223 0.097 0.000 2.012 783 L HA -0.163 4.178 4.340 0.002 0.000 0.210 783 L C 2.628 179.531 176.870 0.055 0.000 1.073 783 L CA 2.064 56.951 54.840 0.077 0.000 0.748 783 L CB -0.951 41.141 42.059 0.055 0.000 0.891 783 L HN 0.378 nan 8.230 nan 0.000 0.431 784 R N -0.874 119.654 120.500 0.047 0.000 2.139 784 R HA -0.194 4.148 4.340 0.002 0.000 0.243 784 R C 1.904 178.224 176.300 0.034 0.000 1.145 784 R CA 1.393 57.511 56.100 0.030 0.000 0.976 784 R CB -0.278 30.039 30.300 0.029 0.000 0.866 784 R HN 0.531 nan 8.270 nan 0.000 0.449 785 Q N 0.136 119.980 119.800 0.073 0.000 2.319 785 Q HA 0.139 4.481 4.340 0.002 0.000 0.202 785 Q C -0.086 175.990 176.000 0.127 0.000 0.896 785 Q CA -0.351 55.512 55.803 0.100 0.000 0.942 785 Q CB 0.458 29.281 28.738 0.142 0.000 1.083 785 Q HN 0.137 nan 8.270 nan 0.000 0.510 786 L N 4.348 125.637 121.223 0.110 0.000 2.700 786 L HA 0.012 4.353 4.340 0.002 0.000 0.276 786 L C -2.293 174.552 176.870 -0.042 0.000 1.200 786 L CA -0.299 54.593 54.840 0.086 0.000 0.951 786 L CB 0.261 42.333 42.059 0.022 0.000 1.226 786 L HN 0.024 nan 8.230 nan 0.000 0.489 787 P HA 0.235 nan 4.420 nan 0.000 0.282 787 P C -0.763 176.383 177.300 -0.257 0.000 1.274 787 P CA -0.453 62.552 63.100 -0.159 0.000 0.770 787 P CB 1.367 32.923 31.700 -0.239 0.000 0.867 788 I N 4.276 124.613 120.570 -0.388 0.000 2.474 788 I HA 0.354 4.525 4.170 0.002 0.000 0.294 788 I C 0.082 176.017 176.117 -0.304 0.000 1.005 788 I CA -0.845 60.080 61.300 -0.625 0.000 1.113 788 I CB 2.033 39.518 38.000 -0.858 0.000 1.289 788 I HN 0.254 nan 8.210 nan 0.000 0.436 789 L N 6.780 127.916 121.223 -0.145 0.000 2.287 789 L HA 0.601 4.942 4.340 0.002 0.000 0.287 789 L C 0.193 177.086 176.870 0.037 0.000 1.022 789 L CA -0.237 54.589 54.840 -0.024 0.000 0.814 789 L CB 1.066 43.148 42.059 0.039 0.000 1.217 789 L HN 0.798 nan 8.230 nan 0.000 0.420 790 T N 1.510 116.076 114.554 0.020 0.000 2.788 790 T HA 0.320 4.671 4.350 0.002 0.000 0.287 790 T C -1.851 172.900 174.700 0.084 0.000 1.007 790 T CA -1.506 60.633 62.100 0.065 0.000 1.005 790 T CB 0.559 69.489 68.868 0.103 0.000 1.012 790 T HN 0.468 nan 8.240 nan 0.000 0.530 791 P HA -0.014 nan 4.420 nan 0.000 0.224 791 P C 0.591 177.926 177.300 0.059 0.000 1.142 791 P CA 1.201 64.342 63.100 0.069 0.000 0.778 791 P CB -0.144 31.595 31.700 0.065 0.000 0.764 792 M N -2.171 117.470 119.600 0.068 0.000 2.778 792 M HA 0.216 4.698 4.480 0.002 0.000 0.359 792 M C -0.006 176.326 176.300 0.052 0.000 1.216 792 M CA -0.331 55.002 55.300 0.055 0.000 0.935 792 M CB 0.225 32.859 32.600 0.058 0.000 1.330 792 M HN -0.379 nan 8.290 nan 0.000 0.516 793 K N 0.931 121.360 120.400 0.049 0.000 2.948 793 K HA -0.203 4.119 4.320 0.002 0.000 0.253 793 K C -0.693 175.930 176.600 0.039 0.000 0.970 793 K CA 0.899 57.209 56.287 0.038 0.000 0.716 793 K CB -1.678 30.838 32.500 0.027 0.000 1.249 793 K HN 0.568 nan 8.250 nan 0.000 0.483 794 Q N 0.058 119.893 119.800 0.059 0.000 2.259 794 Q HA 0.246 4.587 4.340 0.002 0.000 0.249 794 Q C -0.122 175.892 176.000 0.023 0.000 0.914 794 Q CA -0.362 55.484 55.803 0.072 0.000 0.904 794 Q CB 1.217 30.055 28.738 0.166 0.000 1.213 794 Q HN 0.166 nan 8.270 nan 0.000 0.428 795 Q N 3.498 123.302 119.800 0.008 0.000 2.400 795 Q HA 0.434 4.775 4.340 0.002 0.000 0.255 795 Q C -0.982 174.979 176.000 -0.066 0.000 1.008 795 Q CA -0.247 55.533 55.803 -0.039 0.000 0.841 795 Q CB 0.508 29.231 28.738 -0.026 0.000 1.220 795 Q HN 0.640 nan 8.270 nan 0.000 0.474 796 I N -0.632 119.848 120.570 -0.151 0.000 3.445 796 I HA 0.727 4.898 4.170 0.002 0.000 0.303 796 I C -0.507 175.487 176.117 -0.205 0.000 1.129 796 I CA -1.104 60.076 61.300 -0.199 0.000 0.989 796 I CB 2.277 40.030 38.000 -0.411 0.000 1.314 796 I HN 0.360 nan 8.210 nan 0.000 0.488 797 T N -0.478 113.964 114.554 -0.186 0.000 2.893 797 T HA 0.364 4.715 4.350 0.002 0.000 0.291 797 T C 0.488 175.087 174.700 -0.169 0.000 1.028 797 T CA -0.699 61.312 62.100 -0.148 0.000 0.995 797 T CB 2.166 70.998 68.868 -0.060 0.000 1.051 797 T HN 0.683 nan 8.240 nan 0.000 0.470 798 L N 1.989 123.117 121.223 -0.159 0.000 2.137 798 L HA -0.056 4.285 4.340 0.002 0.000 0.213 798 L C 2.572 179.391 176.870 -0.085 0.000 1.085 798 L CA 2.517 57.274 54.840 -0.139 0.000 0.760 798 L CB -1.156 40.846 42.059 -0.095 0.000 0.893 798 L HN 0.963 nan 8.230 nan 0.000 0.434 799 A N -1.235 121.552 122.820 -0.056 0.000 2.015 799 A HA -0.186 4.136 4.320 0.002 0.000 0.219 799 A C 1.868 179.434 177.584 -0.029 0.000 1.163 799 A CA 1.619 53.640 52.037 -0.027 0.000 0.646 799 A CB -0.668 18.327 19.000 -0.008 0.000 0.806 799 A HN 0.518 nan 8.150 nan 0.000 0.448 800 D N -0.598 119.767 120.400 -0.059 0.000 2.219 800 D HA -0.076 4.566 4.640 0.002 0.000 0.205 800 D C 1.668 177.954 176.300 -0.023 0.000 0.970 800 D CA 1.723 55.697 54.000 -0.042 0.000 0.851 800 D CB -0.020 40.710 40.800 -0.116 0.000 0.943 800 D HN 0.515 nan 8.370 nan 0.000 0.488 801 V N -3.805 116.067 119.914 -0.070 0.000 3.477 801 V HA 0.742 4.864 4.120 0.002 0.000 0.297 801 V C 0.297 176.383 176.094 -0.013 0.000 1.433 801 V CA -0.077 62.204 62.300 -0.031 0.000 1.052 801 V CB -0.108 31.666 31.823 -0.082 0.000 0.895 801 V HN 0.056 nan 8.190 nan 0.000 0.438 802 A N -0.022 122.788 122.820 -0.017 0.000 2.604 802 A HA 0.767 5.088 4.320 0.002 0.000 0.295 802 A C -2.057 175.526 177.584 -0.002 0.000 1.067 802 A CA -0.484 51.548 52.037 -0.008 0.000 0.683 802 A CB 1.567 20.558 19.000 -0.015 0.000 1.281 802 A HN 0.213 nan 8.150 nan 0.000 0.407 803 D N 2.046 122.448 120.400 0.004 0.000 2.381 803 D HA 0.443 5.085 4.640 0.002 0.000 0.235 803 D C -0.197 176.108 176.300 0.009 0.000 1.068 803 D CA 0.195 54.199 54.000 0.008 0.000 0.832 803 D CB 1.554 42.361 40.800 0.011 0.000 1.101 803 D HN 0.689 nan 8.370 nan 0.000 0.515 804 I N -0.897 119.680 120.570 0.012 0.000 2.315 804 I HA 0.480 4.651 4.170 0.002 0.000 0.291 804 I C -0.794 175.336 176.117 0.022 0.000 1.006 804 I CA -0.426 60.884 61.300 0.016 0.000 1.265 804 I CB 0.692 38.703 38.000 0.019 0.000 1.387 804 I HN -0.029 nan 8.210 nan 0.000 0.475 805 K N 5.530 125.946 120.400 0.026 0.000 2.385 805 K HA 0.640 4.961 4.320 0.002 0.000 0.248 805 K C -1.285 175.343 176.600 0.046 0.000 0.955 805 K CA -0.991 55.316 56.287 0.032 0.000 0.816 805 K CB 2.932 35.450 32.500 0.029 0.000 1.250 805 K HN 0.448 nan 8.250 nan 0.000 0.434 806 V N 2.189 122.131 119.914 0.047 0.000 2.364 806 V HA 0.267 4.389 4.120 0.002 0.000 0.272 806 V C -0.056 176.076 176.094 0.063 0.000 1.036 806 V CA -0.418 61.918 62.300 0.060 0.000 0.880 806 V CB 0.611 32.460 31.823 0.044 0.000 0.991 806 V HN 0.930 nan 8.190 nan 0.000 0.460 807 S N 3.035 118.796 115.700 0.101 0.000 2.677 807 S HA 0.808 5.280 4.470 0.002 0.000 0.304 807 S C -0.215 174.434 174.600 0.082 0.000 1.108 807 S CA -0.481 57.777 58.200 0.096 0.000 0.944 807 S CB 2.265 65.539 63.200 0.122 0.000 1.127 807 S HN 0.825 nan 8.310 nan 0.000 0.511 808 T N -0.757 113.813 114.554 0.025 0.000 2.791 808 T HA 0.759 5.111 4.350 0.002 0.000 0.288 808 T C 0.338 174.990 174.700 -0.080 0.000 0.999 808 T CA -0.366 61.682 62.100 -0.087 0.000 0.952 808 T CB 0.677 69.497 68.868 -0.081 0.000 0.938 808 T HN 1.051 nan 8.240 nan 0.000 0.444 809 G N 2.850 111.492 108.800 -0.265 0.000 3.217 809 G HA2 0.769 4.731 3.960 0.002 0.000 0.213 809 G HA3 0.769 4.731 3.960 0.002 0.000 0.213 809 G C -3.011 171.786 174.900 -0.171 0.000 1.294 809 G CA -2.070 43.001 45.100 -0.049 0.000 0.987 809 G HN 0.546 nan 8.290 nan 0.000 0.584 810 P HA 0.124 nan 4.420 nan 0.000 0.265 810 P C 0.535 177.817 177.300 -0.030 0.000 1.193 810 P CA 0.278 63.390 63.100 0.021 0.000 0.765 810 P CB 1.514 33.281 31.700 0.111 0.000 0.823 811 S N 3.401 119.066 115.700 -0.060 0.000 2.528 811 S HA 0.187 4.658 4.470 0.002 0.000 0.219 811 S C 0.513 175.112 174.600 -0.001 0.000 0.985 811 S CA 0.217 58.387 58.200 -0.051 0.000 0.914 811 S CB -0.397 62.749 63.200 -0.089 0.000 0.776 811 S HN 0.519 nan 8.310 nan 0.000 0.526 812 M N 0.405 120.001 119.600 -0.007 0.000 2.918 812 M HA 0.328 4.809 4.480 0.002 0.000 0.272 812 M C -2.700 173.583 176.300 -0.028 0.000 1.082 812 M CA -0.700 54.595 55.300 -0.008 0.000 0.799 812 M CB 1.124 33.685 32.600 -0.065 0.000 1.659 812 M HN 0.064 nan 8.290 nan 0.000 0.533 813 L N 3.189 124.401 121.223 -0.019 0.000 2.372 813 L HA 0.563 4.905 4.340 0.002 0.000 0.273 813 L C -0.956 175.901 176.870 -0.021 0.000 0.989 813 L CA -0.151 54.674 54.840 -0.026 0.000 0.841 813 L CB 1.854 43.904 42.059 -0.017 0.000 1.225 813 L HN 0.564 nan 8.230 nan 0.000 0.414 814 K N 1.753 122.116 120.400 -0.062 0.000 2.138 814 K HA 0.839 5.160 4.320 0.002 0.000 0.263 814 K C -0.268 176.389 176.600 0.094 0.000 0.965 814 K CA -0.612 55.667 56.287 -0.014 0.000 0.868 814 K CB 1.941 34.256 32.500 -0.308 0.000 1.083 814 K HN 0.642 nan 8.250 nan 0.000 0.443 815 T N -0.930 113.751 114.554 0.212 0.000 2.933 815 T HA 0.290 4.641 4.350 0.002 0.000 0.305 815 T C -1.171 173.711 174.700 0.304 0.000 1.092 815 T CA -0.988 61.254 62.100 0.236 0.000 1.008 815 T CB 1.778 70.704 68.868 0.097 0.000 1.102 815 T HN 0.477 nan 8.240 nan 0.000 0.469 816 E N 2.121 122.484 120.200 0.271 0.000 2.092 816 E HA 0.480 4.831 4.350 0.002 0.000 0.271 816 E C -0.680 175.961 176.600 0.069 0.000 0.919 816 E CA -0.163 56.333 56.400 0.159 0.000 0.760 816 E CB 0.049 29.762 29.700 0.022 0.000 1.106 816 E HN 0.677 nan 8.360 nan 0.000 0.408 817 N N 4.351 123.080 118.700 0.049 0.000 2.699 817 N HA -0.264 4.478 4.740 0.002 0.000 0.257 817 N C 0.169 175.706 175.510 0.046 0.000 1.077 817 N CA 1.089 54.151 53.050 0.020 0.000 0.702 817 N CB -1.420 37.062 38.487 -0.009 0.000 0.886 817 N HN 0.835 nan 8.380 nan 0.000 0.549 818 A N -1.504 121.356 122.820 0.066 0.000 1.470 818 A HA -0.371 3.950 4.320 0.002 0.000 0.224 818 A C 0.728 178.426 177.584 0.190 0.000 0.453 818 A CA 1.720 53.827 52.037 0.116 0.000 1.102 818 A CB -1.373 17.685 19.000 0.096 0.000 1.462 818 A HN 0.897 nan 8.150 nan 0.000 0.719 819 R N 0.842 121.435 120.500 0.154 0.000 2.528 819 R HA 0.592 4.933 4.340 0.002 0.000 0.271 819 R C -3.069 173.324 176.300 0.155 0.000 1.056 819 R CA -1.423 54.787 56.100 0.183 0.000 1.117 819 R CB 0.167 30.535 30.300 0.114 0.000 1.085 819 R HN 0.287 nan 8.270 nan 0.000 0.530 820 P HA 0.104 nan 4.420 nan 0.000 0.276 820 P C -0.976 176.412 177.300 0.147 0.000 1.235 820 P CA -0.066 63.120 63.100 0.143 0.000 0.772 820 P CB 1.316 33.096 31.700 0.134 0.000 0.871 821 T N -0.935 113.749 114.554 0.217 0.000 2.971 821 T HA 0.568 4.919 4.350 0.002 0.000 0.304 821 T C -0.505 174.451 174.700 0.427 0.000 1.038 821 T CA -0.788 61.465 62.100 0.256 0.000 1.007 821 T CB 0.699 69.681 68.868 0.191 0.000 1.055 821 T HN 0.252 nan 8.240 nan 0.000 0.451 822 S N 2.941 118.831 115.700 0.317 0.000 2.480 822 S HA 0.683 5.154 4.470 0.002 0.000 0.286 822 S C -0.920 173.973 174.600 0.488 0.000 1.180 822 S CA -0.868 57.520 58.200 0.313 0.000 1.075 822 S CB 0.183 63.464 63.200 0.135 0.000 0.996 822 S HN 0.753 nan 8.310 nan 0.000 0.487 823 W N 3.348 124.634 121.300 -0.023 0.000 2.318 823 W HA 0.531 5.192 4.660 0.002 0.000 0.315 823 W C -0.733 175.725 176.519 -0.101 0.000 1.033 823 W CA -2.365 54.898 57.345 -0.137 0.000 1.275 823 W CB -0.633 28.680 29.460 -0.245 0.000 1.250 823 W HN 0.516 nan 8.180 nan 0.000 0.421 824 I N 3.649 124.273 120.570 0.089 0.000 2.342 824 I HA 0.243 4.415 4.170 0.002 0.000 0.291 824 I C -0.669 175.490 176.117 0.070 0.000 1.010 824 I CA -0.994 60.388 61.300 0.137 0.000 1.308 824 I CB 0.335 38.384 38.000 0.081 0.000 1.400 824 I HN 0.241 nan 8.210 nan 0.000 0.488 825 Y N 6.633 126.981 120.300 0.079 0.000 2.404 825 Y HA 0.485 5.036 4.550 0.002 0.000 0.344 825 Y C -0.075 175.862 175.900 0.062 0.000 0.970 825 Y CA -1.168 56.979 58.100 0.078 0.000 1.180 825 Y CB 0.768 39.265 38.460 0.061 0.000 1.138 825 Y HN 0.410 nan 8.280 nan 0.000 0.510 826 I N 1.157 121.831 120.570 0.173 0.000 2.339 826 I HA 0.345 4.517 4.170 0.002 0.000 0.290 826 I C -0.665 175.525 176.117 0.121 0.000 0.994 826 I CA -0.947 60.430 61.300 0.129 0.000 1.191 826 I CB 1.324 39.384 38.000 0.100 0.000 1.343 826 I HN 0.473 nan 8.210 nan 0.000 0.458 827 D N 5.794 126.255 120.400 0.100 0.000 2.425 827 D HA 0.670 5.312 4.640 0.002 0.000 0.240 827 D C -1.281 175.053 176.300 0.058 0.000 1.080 827 D CA -0.345 53.705 54.000 0.084 0.000 0.836 827 D CB 2.064 42.911 40.800 0.079 0.000 1.125 827 D HN 0.801 nan 8.370 nan 0.000 0.525 828 A N 4.102 126.953 122.820 0.051 0.000 2.342 828 A HA 0.746 5.067 4.320 0.002 0.000 0.323 828 A C -0.480 177.121 177.584 0.027 0.000 1.125 828 A CA -0.801 51.257 52.037 0.034 0.000 0.785 828 A CB 1.366 20.381 19.000 0.025 0.000 1.221 828 A HN 0.451 nan 8.150 nan 0.000 0.463 829 R N 1.447 121.962 120.500 0.025 0.000 2.637 829 R HA 0.502 4.843 4.340 0.002 0.000 0.291 829 R C -0.658 175.660 176.300 0.029 0.000 0.963 829 R CA -0.495 55.617 56.100 0.021 0.000 0.901 829 R CB 0.935 31.253 30.300 0.029 0.000 1.160 829 R HN 0.873 nan 8.270 nan 0.000 0.457 830 D N -0.186 120.223 120.400 0.016 0.000 2.946 830 D HA -0.186 4.455 4.640 0.002 0.000 0.202 830 D C -0.060 176.278 176.300 0.062 0.000 1.068 830 D CA 1.091 55.132 54.000 0.068 0.000 1.011 830 D CB -0.062 40.824 40.800 0.143 0.000 1.105 830 D HN 0.252 nan 8.370 nan 0.000 0.425 831 R N 1.330 121.845 120.500 0.025 0.000 2.534 831 R HA 0.267 4.609 4.340 0.002 0.000 0.301 831 R C -1.267 175.032 176.300 -0.002 0.000 0.961 831 R CA -0.521 55.591 56.100 0.021 0.000 0.871 831 R CB 1.072 31.384 30.300 0.020 0.000 1.170 831 R HN -0.245 nan 8.270 nan 0.000 0.446 832 D N 4.261 124.659 120.400 -0.004 0.000 2.357 832 D HA 0.049 4.691 4.640 0.002 0.000 0.265 832 D C 0.095 176.373 176.300 -0.037 0.000 1.334 832 D CA 0.372 54.362 54.000 -0.016 0.000 0.984 832 D CB 0.301 41.096 40.800 -0.008 0.000 1.077 832 D HN 0.272 nan 8.370 nan 0.000 0.514 833 M N 2.224 121.793 119.600 -0.052 0.000 3.654 833 M HA 0.113 4.594 4.480 0.002 0.000 0.212 833 M C 0.896 177.074 176.300 -0.203 0.000 1.354 833 M CA -0.223 55.022 55.300 -0.092 0.000 1.564 833 M CB 0.599 33.161 32.600 -0.063 0.000 1.056 833 M HN 0.016 nan 8.290 nan 0.000 0.608 834 V N -1.329 118.470 119.914 -0.191 0.000 3.354 834 V HA -0.050 4.071 4.120 0.002 0.000 0.258 834 V C 1.833 177.789 176.094 -0.229 0.000 1.159 834 V CA 1.227 63.356 62.300 -0.285 0.000 1.125 834 V CB -0.100 31.629 31.823 -0.156 0.000 0.774 834 V HN 0.702 nan 8.190 nan 0.000 0.464 835 S N 0.482 116.093 115.700 -0.149 0.000 2.377 835 S HA -0.109 4.362 4.470 0.002 0.000 0.223 835 S C 2.082 176.623 174.600 -0.098 0.000 1.030 835 S CA 1.176 59.312 58.200 -0.107 0.000 0.970 835 S CB -0.042 63.112 63.200 -0.077 0.000 0.830 835 S HN 0.382 nan 8.310 nan 0.000 0.473 836 V N 2.817 122.664 119.914 -0.111 0.000 2.332 836 V HA -0.180 3.941 4.120 0.002 0.000 0.248 836 V C 2.587 178.619 176.094 -0.103 0.000 1.055 836 V CA 1.790 64.041 62.300 -0.082 0.000 1.038 836 V CB -1.185 30.600 31.823 -0.063 0.000 0.651 836 V HN 0.579 nan 8.190 nan 0.000 0.450 837 V N -2.013 117.779 119.914 -0.204 0.000 2.594 837 V HA -0.264 3.857 4.120 0.002 0.000 0.253 837 V C 2.322 178.225 176.094 -0.319 0.000 1.069 837 V CA 2.382 64.519 62.300 -0.273 0.000 1.082 837 V CB -1.070 30.479 31.823 -0.456 0.000 0.680 837 V HN 0.647 nan 8.190 nan 0.000 0.469 838 H N 0.693 119.597 119.070 -0.276 0.000 2.415 838 H HA -0.012 4.545 4.556 0.002 0.000 0.297 838 H C 1.963 177.198 175.328 -0.155 0.000 1.048 838 H CA 1.663 57.573 56.048 -0.229 0.000 1.365 838 H CB 0.027 29.686 29.762 -0.172 0.000 1.421 838 H HN 0.454 nan 8.280 nan 0.000 0.533 839 D N 0.496 120.925 120.400 0.049 0.000 2.144 839 D HA -0.114 4.527 4.640 0.002 0.000 0.199 839 D C 2.452 178.759 176.300 0.011 0.000 0.984 839 D CA 0.590 54.611 54.000 0.035 0.000 0.834 839 D CB -0.117 40.688 40.800 0.009 0.000 0.955 839 D HN 0.362 nan 8.370 nan 0.000 0.465 840 L N 0.484 121.698 121.223 -0.015 0.000 2.095 840 L HA -0.111 4.230 4.340 0.002 0.000 0.204 840 L C 2.575 179.467 176.870 0.036 0.000 1.080 840 L CA 0.759 55.620 54.840 0.035 0.000 0.759 840 L CB -0.493 41.628 42.059 0.103 0.000 0.914 840 L HN 0.059 nan 8.230 nan 0.000 0.439 841 Q N 0.267 119.997 119.800 -0.118 0.000 2.291 841 Q HA -0.183 4.158 4.340 0.002 0.000 0.205 841 Q C 1.698 177.658 176.000 -0.066 0.000 0.970 841 Q CA 1.305 57.034 55.803 -0.123 0.000 0.876 841 Q CB -0.020 28.392 28.738 -0.543 0.000 0.935 841 Q HN 0.441 nan 8.270 nan 0.000 0.455 842 K N -0.184 120.179 120.400 -0.061 0.000 2.313 842 K HA 0.227 4.549 4.320 0.002 0.000 0.197 842 K C 2.086 178.699 176.600 0.021 0.000 1.061 842 K CA 0.553 56.835 56.287 -0.009 0.000 0.980 842 K CB 0.241 32.762 32.500 0.034 0.000 0.888 842 K HN 0.211 nan 8.250 nan 0.000 0.502 843 A N 1.875 124.711 122.820 0.026 0.000 1.972 843 A HA -0.108 4.213 4.320 0.002 0.000 0.219 843 A C 2.050 179.654 177.584 0.034 0.000 1.169 843 A CA 1.055 53.109 52.037 0.030 0.000 0.635 843 A CB -0.504 18.514 19.000 0.030 0.000 0.810 843 A HN 0.119 nan 8.150 nan 0.000 0.446 844 I N -0.359 120.238 120.570 0.045 0.000 2.076 844 I HA -0.331 3.840 4.170 0.002 0.000 0.237 844 I C 3.068 179.208 176.117 0.038 0.000 1.059 844 I CA 1.294 62.624 61.300 0.050 0.000 1.317 844 I CB -0.564 37.483 38.000 0.079 0.000 1.037 844 I HN 0.389 nan 8.210 nan 0.000 0.398 845 A N -0.162 122.680 122.820 0.037 0.000 1.903 845 A HA -0.268 4.053 4.320 0.002 0.000 0.219 845 A C 1.635 179.233 177.584 0.022 0.000 1.191 845 A CA 1.517 53.570 52.037 0.027 0.000 0.638 845 A CB -0.646 18.367 19.000 0.023 0.000 0.823 845 A HN 0.549 nan 8.150 nan 0.000 0.451 846 E N -0.919 119.294 120.200 0.022 0.000 1.924 846 E HA 0.334 4.685 4.350 0.002 0.000 0.261 846 E C -0.164 176.447 176.600 0.019 0.000 1.088 846 E CA -0.135 56.276 56.400 0.019 0.000 0.909 846 E CB 0.013 29.725 29.700 0.019 0.000 1.112 846 E HN 0.280 nan 8.360 nan 0.000 0.425 847 K N 0.882 121.292 120.400 0.018 0.000 3.384 847 K HA -0.129 4.193 4.320 0.002 0.000 0.249 847 K C -1.367 175.244 176.600 0.018 0.000 1.267 847 K CA 0.888 57.185 56.287 0.017 0.000 0.906 847 K CB -1.566 30.943 32.500 0.016 0.000 1.592 847 K HN 0.328 nan 8.250 nan 0.000 0.549 848 V N 0.007 119.934 119.914 0.021 0.000 2.638 848 V HA 0.816 4.937 4.120 0.002 0.000 0.306 848 V C -0.019 176.088 176.094 0.021 0.000 1.052 848 V CA -0.525 61.788 62.300 0.021 0.000 0.885 848 V CB 2.079 33.917 31.823 0.026 0.000 0.999 848 V HN 0.204 nan 8.190 nan 0.000 0.424 849 Q N 3.420 123.231 119.800 0.017 0.000 2.514 849 Q HA 0.872 5.214 4.340 0.002 0.000 0.169 849 Q C -0.476 175.532 176.000 0.014 0.000 1.027 849 Q CA 0.167 55.979 55.803 0.015 0.000 0.988 849 Q CB 1.387 30.133 28.738 0.013 0.000 2.123 849 Q HN 0.993 nan 8.270 nan 0.000 0.480 850 L N -2.184 119.045 121.223 0.011 0.000 3.020 850 L HA 0.498 4.839 4.340 0.002 0.000 0.273 850 L C -1.949 174.926 176.870 0.007 0.000 1.018 850 L CA -0.768 54.077 54.840 0.008 0.000 0.950 850 L CB 1.572 43.635 42.059 0.007 0.000 1.510 850 L HN 0.358 nan 8.230 nan 0.000 0.404 851 K N 2.589 122.993 120.400 0.006 0.000 2.274 851 K HA 0.527 4.848 4.320 0.002 0.000 0.262 851 K C -2.571 174.032 176.600 0.005 0.000 0.961 851 K CA -1.711 54.580 56.287 0.007 0.000 0.833 851 K CB 1.476 33.981 32.500 0.008 0.000 1.102 851 K HN 0.339 nan 8.250 nan 0.000 0.436 852 P HA -0.023 nan 4.420 nan 0.000 0.264 852 P C 0.473 177.776 177.300 0.004 0.000 1.193 852 P CA 0.726 63.828 63.100 0.004 0.000 0.763 852 P CB 0.562 32.264 31.700 0.004 0.000 0.810 853 G N 1.052 109.854 108.800 0.003 0.000 2.159 853 G HA2 -0.090 3.872 3.960 0.002 0.000 0.170 853 G HA3 -0.090 3.872 3.960 0.002 0.000 0.170 853 G C 0.035 174.938 174.900 0.005 0.000 1.007 853 G CA 0.063 45.166 45.100 0.004 0.000 0.672 853 G HN 0.857 nan 8.290 nan 0.000 0.507 854 T N -2.056 112.498 114.554 0.001 0.000 2.843 854 T HA 0.880 5.231 4.350 0.002 0.000 0.302 854 T C -0.337 174.355 174.700 -0.013 0.000 1.232 854 T CA 0.419 62.517 62.100 -0.003 0.000 1.009 854 T CB 2.173 71.040 68.868 -0.002 0.000 1.254 854 T HN 1.734 nan 8.240 nan 0.000 0.504 855 S N -0.358 115.327 115.700 -0.026 0.000 2.651 855 S HA 0.818 5.290 4.470 0.002 0.000 0.279 855 S C -1.415 173.137 174.600 -0.079 0.000 1.148 855 S CA -0.830 57.346 58.200 -0.040 0.000 0.837 855 S CB 1.563 64.742 63.200 -0.036 0.000 1.138 855 S HN 0.996 nan 8.310 nan 0.000 0.478 856 V N 0.871 120.721 119.914 -0.106 0.000 2.487 856 V HA 0.856 4.977 4.120 0.002 0.000 0.298 856 V C -0.017 175.900 176.094 -0.294 0.000 1.028 856 V CA -0.384 61.780 62.300 -0.226 0.000 0.860 856 V CB 0.992 32.666 31.823 -0.248 0.000 0.991 856 V HN 1.290 nan 8.190 nan 0.000 0.427 857 A N 4.549 127.132 122.820 -0.396 0.000 2.343 857 A HA 0.924 5.245 4.320 0.002 0.000 0.316 857 A C -1.179 176.126 177.584 -0.465 0.000 1.104 857 A CA -0.389 51.456 52.037 -0.320 0.000 0.768 857 A CB 0.865 19.725 19.000 -0.234 0.000 1.213 857 A HN 0.618 nan 8.150 nan 0.000 0.456 858 F N 2.110 122.016 119.950 -0.073 0.000 2.404 858 F HA 0.603 5.131 4.527 0.002 0.000 0.354 858 F C 0.938 176.680 175.800 -0.097 0.000 1.122 858 F CA 0.067 58.052 58.000 -0.024 0.000 1.080 858 F CB 2.030 41.084 39.000 0.091 0.000 1.131 858 F HN 0.620 nan 8.300 nan 0.000 0.471 859 S N 1.769 117.455 115.700 -0.023 0.000 2.618 859 S HA 1.015 5.486 4.470 0.002 0.000 0.277 859 S C -0.591 173.875 174.600 -0.223 0.000 1.138 859 S CA -0.340 57.724 58.200 -0.228 0.000 0.844 859 S CB 2.167 65.203 63.200 -0.275 0.000 1.127 859 S HN 1.290 nan 8.310 nan 0.000 0.474 860 G N 0.263 108.839 108.800 -0.373 0.000 2.315 860 G HA2 0.284 4.246 3.960 0.002 0.000 0.294 860 G HA3 0.284 4.246 3.960 0.002 0.000 0.294 860 G C -0.347 174.400 174.900 -0.256 0.000 1.300 860 G CA -0.474 44.505 45.100 -0.203 0.000 0.843 860 G HN 0.624 nan 8.290 nan 0.000 0.527 861 Q N -0.850 118.914 119.800 -0.060 0.000 2.297 861 Q HA -0.117 4.224 4.340 0.002 0.000 0.208 861 Q C 2.171 178.152 176.000 -0.031 0.000 0.981 861 Q CA 2.397 58.181 55.803 -0.033 0.000 0.876 861 Q CB -0.297 28.455 28.738 0.025 0.000 0.921 861 Q HN 0.638 nan 8.270 nan 0.000 0.446 862 F N -0.138 119.808 119.950 -0.007 0.000 2.206 862 F HA -0.017 4.511 4.527 0.002 0.000 0.298 862 F C 1.954 177.750 175.800 -0.006 0.000 1.090 862 F CA 0.919 58.914 58.000 -0.008 0.000 1.323 862 F CB -0.548 38.448 39.000 -0.007 0.000 1.028 862 F HN -0.039 nan 8.300 nan 0.000 0.492 863 E N 0.856 120.605 120.200 -0.752 0.000 2.065 863 E HA -0.299 4.053 4.350 0.002 0.000 0.201 863 E C 2.113 178.639 176.600 -0.124 0.000 1.016 863 E CA 2.037 58.193 56.400 -0.406 0.000 0.818 863 E CB -0.383 29.031 29.700 -0.478 0.000 0.749 863 E HN 0.466 nan 8.360 nan 0.000 0.453 864 L N 1.009 122.159 121.223 -0.121 0.000 2.156 864 L HA -0.074 4.267 4.340 0.002 0.000 0.208 864 L C 2.138 179.012 176.870 0.006 0.000 1.095 864 L CA 1.192 56.006 54.840 -0.044 0.000 0.770 864 L CB -0.556 41.478 42.059 -0.042 0.000 0.914 864 L HN 0.335 nan 8.230 nan 0.000 0.439 865 L N -0.169 121.067 121.223 0.023 0.000 2.005 865 L HA -0.224 4.118 4.340 0.002 0.000 0.207 865 L C 2.374 179.293 176.870 0.081 0.000 1.072 865 L CA 2.311 57.184 54.840 0.055 0.000 0.744 865 L CB -0.856 41.247 42.059 0.072 0.000 0.895 865 L HN 0.552 nan 8.230 nan 0.000 0.433 866 E N 0.081 120.355 120.200 0.124 0.000 2.070 866 E HA -0.301 4.051 4.350 0.002 0.000 0.197 866 E C 2.180 178.845 176.600 0.109 0.000 1.004 866 E CA 1.733 58.211 56.400 0.131 0.000 0.805 866 E CB -0.060 29.750 29.700 0.184 0.000 0.744 866 E HN 0.493 nan 8.360 nan 0.000 0.451 867 R N 0.203 120.742 120.500 0.065 0.000 2.083 867 R HA -0.142 4.200 4.340 0.002 0.000 0.237 867 R C 2.563 178.924 176.300 0.101 0.000 1.137 867 R CA 1.382 57.501 56.100 0.033 0.000 0.951 867 R CB -0.505 29.788 30.300 -0.012 0.000 0.851 867 R HN 0.229 nan 8.270 nan 0.000 0.434 868 A N 1.780 124.648 122.820 0.080 0.000 1.865 868 A HA -0.296 4.026 4.320 0.002 0.000 0.217 868 A C 2.000 179.635 177.584 0.086 0.000 1.191 868 A CA 1.998 54.083 52.037 0.080 0.000 0.623 868 A CB -0.854 18.180 19.000 0.056 0.000 0.826 868 A HN 0.367 nan 8.150 nan 0.000 0.444 869 N N -0.376 118.373 118.700 0.081 0.000 2.036 869 N HA -0.258 4.483 4.740 0.002 0.000 0.195 869 N C 1.829 177.391 175.510 0.087 0.000 1.037 869 N CA 2.251 55.341 53.050 0.068 0.000 0.855 869 N CB -0.690 37.834 38.487 0.063 0.000 1.033 869 N HN 0.685 nan 8.380 nan 0.000 0.423 870 H N 0.266 119.349 119.070 0.021 0.000 2.289 870 H HA -0.103 4.454 4.556 0.002 0.000 0.296 870 H C 1.511 176.849 175.328 0.018 0.000 1.091 870 H CA 2.164 58.224 56.048 0.019 0.000 1.274 870 H CB -0.142 29.636 29.762 0.025 0.000 1.364 870 H HN 0.122 nan 8.280 nan 0.000 0.490 871 K N 0.477 121.068 120.400 0.319 0.000 2.057 871 K HA -0.049 4.272 4.320 0.002 0.000 0.207 871 K C 2.375 178.997 176.600 0.038 0.000 1.049 871 K CA 0.609 57.016 56.287 0.200 0.000 0.931 871 K CB -0.449 32.180 32.500 0.215 0.000 0.714 871 K HN 0.153 nan 8.250 nan 0.000 0.440 872 L N 1.142 122.385 121.223 0.033 0.000 2.042 872 L HA -0.200 4.142 4.340 0.002 0.000 0.210 872 L C 1.388 178.237 176.870 -0.036 0.000 1.076 872 L CA 1.942 56.779 54.840 -0.004 0.000 0.749 872 L CB -0.563 41.492 42.059 -0.006 0.000 0.893 872 L HN 0.121 nan 8.230 nan 0.000 0.432 873 K N -0.527 119.838 120.400 -0.059 0.000 2.439 873 K HA -0.046 4.275 4.320 0.002 0.000 0.197 873 K C 1.815 178.353 176.600 -0.103 0.000 1.041 873 K CA 0.267 56.506 56.287 -0.079 0.000 0.970 873 K CB -0.292 32.157 32.500 -0.085 0.000 0.773 873 K HN 0.319 nan 8.250 nan 0.000 0.479 874 L N 0.049 121.197 121.223 -0.126 0.000 2.209 874 L HA -0.006 4.335 4.340 0.002 0.000 0.207 874 L C 1.599 178.442 176.870 -0.045 0.000 1.094 874 L CA 1.105 55.885 54.840 -0.100 0.000 0.790 874 L CB -0.246 41.747 42.059 -0.110 0.000 0.932 874 L HN 0.040 nan 8.230 nan 0.000 0.447 875 M N 0.184 119.765 119.600 -0.032 0.000 2.200 875 M HA -0.089 4.392 4.480 0.002 0.000 0.265 875 M C 2.363 178.650 176.300 -0.023 0.000 1.066 875 M CA 1.562 56.853 55.300 -0.016 0.000 1.127 875 M CB -1.315 31.278 32.600 -0.011 0.000 1.379 875 M HN 0.274 nan 8.290 nan 0.000 0.420 876 V N -1.146 118.748 119.914 -0.033 0.000 2.343 876 V HA -0.109 4.013 4.120 0.002 0.000 0.247 876 V C -0.582 175.500 176.094 -0.020 0.000 1.051 876 V CA 1.182 63.463 62.300 -0.031 0.000 1.036 876 V CB -2.901 28.900 31.823 -0.037 0.000 0.654 876 V HN 0.200 nan 8.190 nan 0.000 0.451 877 P HA -0.055 nan 4.420 nan 0.000 0.215 877 P C 2.175 179.479 177.300 0.007 0.000 1.157 877 P CA 1.470 64.563 63.100 -0.011 0.000 0.863 877 P CB -0.186 31.502 31.700 -0.020 0.000 0.787 878 M N -1.296 118.307 119.600 0.005 0.000 2.159 878 M HA -0.097 4.385 4.480 0.002 0.000 0.263 878 M C 2.183 178.497 176.300 0.024 0.000 1.063 878 M CA 1.838 57.149 55.300 0.019 0.000 1.110 878 M CB -2.146 30.464 32.600 0.016 0.000 1.374 878 M HN -0.004 nan 8.290 nan 0.000 0.411 879 T N 0.587 115.148 114.554 0.011 0.000 2.904 879 T HA -0.012 4.339 4.350 0.002 0.000 0.267 879 T C 1.908 176.623 174.700 0.024 0.000 1.059 879 T CA 0.752 62.856 62.100 0.007 0.000 1.137 879 T CB 0.090 68.948 68.868 -0.016 0.000 0.879 879 T HN 0.260 nan 8.240 nan 0.000 0.467 880 L N 0.307 121.548 121.223 0.030 0.000 2.072 880 L HA -0.036 4.305 4.340 0.002 0.000 0.205 880 L C 2.698 179.642 176.870 0.122 0.000 1.079 880 L CA 0.849 55.723 54.840 0.056 0.000 0.752 880 L CB -0.434 41.643 42.059 0.030 0.000 0.906 880 L HN 0.303 nan 8.230 nan 0.000 0.436 881 M N -0.478 119.193 119.600 0.118 0.000 2.082 881 M HA -0.240 4.242 4.480 0.002 0.000 0.258 881 M C 2.350 178.767 176.300 0.194 0.000 1.069 881 M CA 1.783 57.204 55.300 0.201 0.000 1.102 881 M CB -1.233 31.447 32.600 0.134 0.000 1.336 881 M HN 0.228 nan 8.290 nan 0.000 0.404 882 I N 0.272 120.897 120.570 0.092 0.000 2.252 882 I HA -0.183 3.989 4.170 0.002 0.000 0.245 882 I C 2.052 178.180 176.117 0.018 0.000 1.102 882 I CA 1.226 62.545 61.300 0.033 0.000 1.385 882 I CB -0.438 37.569 38.000 0.013 0.000 1.064 882 I HN 0.061 nan 8.210 nan 0.000 0.414 883 I N 0.564 121.166 120.570 0.053 0.000 2.208 883 I HA -0.294 3.878 4.170 0.002 0.000 0.245 883 I C 2.421 178.594 176.117 0.094 0.000 1.097 883 I CA 1.746 63.078 61.300 0.053 0.000 1.363 883 I CB -1.043 36.990 38.000 0.056 0.000 1.051 883 I HN 0.458 nan 8.210 nan 0.000 0.413 884 F N 0.390 120.362 119.950 0.037 0.000 2.095 884 F HA -0.228 4.301 4.527 0.002 0.000 0.298 884 F C 2.244 178.120 175.800 0.126 0.000 1.104 884 F CA 1.610 59.653 58.000 0.071 0.000 1.232 884 F CB -0.482 38.553 39.000 0.058 0.000 0.987 884 F HN -0.125 nan 8.300 nan 0.000 0.475 885 V N 1.496 121.062 119.914 -0.580 0.000 2.594 885 V HA -0.270 3.851 4.120 0.002 0.000 0.253 885 V C 2.289 178.153 176.094 -0.384 0.000 1.069 885 V CA 1.541 63.464 62.300 -0.629 0.000 1.082 885 V CB -0.608 31.008 31.823 -0.346 0.000 0.680 885 V HN 0.475 nan 8.190 nan 0.000 0.469 886 L N -1.267 119.829 121.223 -0.211 0.000 2.446 886 L HA 0.080 4.421 4.340 0.002 0.000 0.219 886 L C 2.112 178.915 176.870 -0.113 0.000 1.116 886 L CA 0.686 55.434 54.840 -0.153 0.000 0.844 886 L CB -0.195 41.813 42.059 -0.085 0.000 0.970 886 L HN 0.328 nan 8.230 nan 0.000 0.457 887 L N -0.947 120.247 121.223 -0.049 0.000 2.102 887 L HA -0.117 4.224 4.340 0.002 0.000 0.202 887 L C 1.150 178.048 176.870 0.046 0.000 1.076 887 L CA 0.567 55.432 54.840 0.041 0.000 0.761 887 L CB -0.201 41.941 42.059 0.140 0.000 0.921 887 L HN 0.182 nan 8.230 nan 0.000 0.444 888 Y N 2.148 122.393 120.300 -0.091 0.000 2.556 888 Y HA 0.405 4.956 4.550 0.002 0.000 0.352 888 Y C 0.488 176.288 175.900 -0.167 0.000 1.006 888 Y CA -0.310 57.735 58.100 -0.091 0.000 1.277 888 Y CB 0.283 38.705 38.460 -0.063 0.000 1.136 888 Y HN 0.126 nan 8.280 nan 0.000 0.523 889 L N 2.379 123.344 121.223 -0.429 0.000 5.141 889 L HA 0.221 4.563 4.340 0.002 0.000 0.545 889 L C 0.747 177.379 176.870 -0.396 0.000 0.710 889 L CA 0.686 55.210 54.840 -0.527 0.000 2.339 889 L CB -1.164 40.567 42.059 -0.547 0.000 2.242 889 L HN 0.478 nan 8.230 nan 0.000 0.555 890 A N 0.328 122.842 122.820 -0.510 0.000 2.030 890 A HA 0.443 4.764 4.320 0.002 0.000 0.215 890 A C 1.369 178.348 177.584 -1.009 0.000 1.164 890 A CA 1.677 53.182 52.037 -0.887 0.000 0.697 890 A CB -0.279 17.929 19.000 -1.319 0.000 0.827 890 A HN 0.582 nan 8.150 nan 0.000 0.457 891 F N -2.875 117.085 119.950 0.016 0.000 2.975 891 F HA 0.289 4.817 4.527 0.002 0.000 0.366 891 F C 1.133 176.982 175.800 0.081 0.000 1.071 891 F CA 0.175 58.203 58.000 0.046 0.000 1.102 891 F CB 0.575 39.612 39.000 0.062 0.000 1.176 891 F HN 0.228 nan 8.300 nan 0.000 0.545 892 R N 1.537 122.174 120.500 0.229 0.000 1.633 892 R HA -0.285 4.056 4.340 0.002 0.000 0.095 892 R C 0.611 177.097 176.300 0.309 0.000 0.926 892 R CA 1.399 57.696 56.100 0.328 0.000 1.938 892 R CB -1.183 29.241 30.300 0.208 0.000 0.482 892 R HN 0.332 nan 8.270 nan 0.000 0.704 893 R N 1.229 121.854 120.500 0.209 0.000 2.679 893 R HA 0.200 4.542 4.340 0.002 0.000 0.268 893 R C 1.160 177.525 176.300 0.108 0.000 1.044 893 R CA 0.803 56.968 56.100 0.107 0.000 1.105 893 R CB 0.981 31.312 30.300 0.052 0.000 0.989 893 R HN 0.228 nan 8.270 nan 0.000 0.447 894 V N 4.074 124.010 119.914 0.036 0.000 3.052 894 V HA 0.059 4.180 4.120 0.002 0.000 0.254 894 V C 1.746 177.853 176.094 0.021 0.000 1.100 894 V CA 1.966 64.288 62.300 0.038 0.000 1.112 894 V CB -0.108 31.702 31.823 -0.022 0.000 0.738 894 V HN 1.036 nan 8.190 nan 0.000 0.469 895 G N 0.796 109.584 108.800 -0.019 0.000 2.446 895 G HA2 -0.302 3.659 3.960 0.002 0.000 0.217 895 G HA3 -0.302 3.659 3.960 0.002 0.000 0.217 895 G C 1.303 176.177 174.900 -0.044 0.000 1.168 895 G CA 1.188 46.252 45.100 -0.060 0.000 0.771 895 G HN 0.715 nan 8.290 nan 0.000 0.551 896 E N 0.663 120.852 120.200 -0.018 0.000 2.046 896 E HA 0.120 4.471 4.350 0.002 0.000 0.190 896 E C 2.672 179.334 176.600 0.104 0.000 0.982 896 E CA 0.917 57.344 56.400 0.045 0.000 0.800 896 E CB -0.503 29.255 29.700 0.097 0.000 0.756 896 E HN 0.319 nan 8.360 nan 0.000 0.449 897 A N 1.799 124.702 122.820 0.139 0.000 1.972 897 A HA -0.093 4.228 4.320 0.002 0.000 0.219 897 A C 2.308 179.962 177.584 0.117 0.000 1.169 897 A CA 1.003 53.141 52.037 0.168 0.000 0.635 897 A CB -0.429 18.720 19.000 0.249 0.000 0.810 897 A HN 0.254 nan 8.150 nan 0.000 0.446 898 L N -0.587 120.678 121.223 0.071 0.000 2.179 898 L HA -0.048 4.294 4.340 0.002 0.000 0.208 898 L C 2.505 179.391 176.870 0.027 0.000 1.096 898 L CA 0.857 55.714 54.840 0.029 0.000 0.779 898 L CB -0.847 41.211 42.059 -0.003 0.000 0.922 898 L HN 0.450 nan 8.230 nan 0.000 0.443 899 L N 0.460 121.708 121.223 0.042 0.000 1.989 899 L HA -0.255 4.086 4.340 0.002 0.000 0.211 899 L C 2.551 179.466 176.870 0.076 0.000 1.071 899 L CA 1.918 56.795 54.840 0.063 0.000 0.749 899 L CB -0.698 41.408 42.059 0.078 0.000 0.890 899 L HN 0.201 nan 8.230 nan 0.000 0.431 900 I N 0.277 120.902 120.570 0.093 0.000 2.208 900 I HA -0.329 3.842 4.170 0.002 0.000 0.245 900 I C 2.532 178.669 176.117 0.033 0.000 1.097 900 I CA 1.747 63.104 61.300 0.095 0.000 1.363 900 I CB -0.460 37.608 38.000 0.114 0.000 1.051 900 I HN 0.300 nan 8.210 nan 0.000 0.413 901 I N 0.562 121.146 120.570 0.024 0.000 2.179 901 I HA -0.282 3.889 4.170 0.002 0.000 0.242 901 I C 2.718 178.791 176.117 -0.073 0.000 1.088 901 I CA 1.754 63.046 61.300 -0.013 0.000 1.357 901 I CB -0.530 37.473 38.000 0.005 0.000 1.051 901 I HN 0.269 nan 8.210 nan 0.000 0.409 902 S N -0.286 115.373 115.700 -0.069 0.000 2.507 902 S HA -0.141 4.330 4.470 0.002 0.000 0.235 902 S C 2.079 176.521 174.600 -0.263 0.000 0.988 902 S CA 1.454 59.584 58.200 -0.117 0.000 0.944 902 S CB -0.248 62.919 63.200 -0.054 0.000 0.762 902 S HN 0.501 nan 8.310 nan 0.000 0.526 903 S N 0.344 115.898 115.700 -0.243 0.000 2.317 903 S HA -0.045 4.426 4.470 0.002 0.000 0.212 903 S C 1.854 175.837 174.600 -1.029 0.000 1.030 903 S CA 1.258 59.181 58.200 -0.462 0.000 0.970 903 S CB -1.112 62.177 63.200 0.149 0.000 0.928 903 S HN 0.394 nan 8.310 nan 0.000 0.451 904 V N 4.242 123.946 119.914 -0.351 0.000 2.311 904 V HA -0.186 3.935 4.120 0.002 0.000 0.259 904 V C -0.675 175.239 176.094 -0.300 0.000 1.086 904 V CA 2.711 64.890 62.300 -0.201 0.000 1.078 904 V CB -1.399 30.372 31.823 -0.086 0.000 0.668 904 V HN 0.572 nan 8.190 nan 0.000 0.452 905 P HA -0.244 nan 4.420 nan 0.000 0.216 905 P C 1.735 178.965 177.300 -0.117 0.000 1.157 905 P CA 2.689 65.642 63.100 -0.244 0.000 0.880 905 P CB -0.536 31.022 31.700 -0.238 0.000 0.791 906 F N -0.235 119.707 119.950 -0.012 0.000 2.216 906 F HA 0.065 4.593 4.527 0.002 0.000 0.300 906 F C 2.353 178.129 175.800 -0.039 0.000 1.085 906 F CA 0.557 58.547 58.000 -0.016 0.000 1.326 906 F CB -1.715 37.287 39.000 0.003 0.000 1.027 906 F HN -0.144 nan 8.300 nan 0.000 0.497 907 A N 1.898 125.110 122.820 0.653 0.000 2.024 907 A HA -0.062 4.260 4.320 0.002 0.000 0.220 907 A C 2.172 179.777 177.584 0.034 0.000 1.164 907 A CA 1.376 53.569 52.037 0.261 0.000 0.643 907 A CB -1.109 18.041 19.000 0.251 0.000 0.806 907 A HN 0.571 nan 8.150 nan 0.000 0.451 908 L N -0.750 120.444 121.223 -0.049 0.000 2.478 908 L HA -0.061 4.280 4.340 0.002 0.000 0.223 908 L C 2.214 178.966 176.870 -0.196 0.000 1.140 908 L CA 0.080 54.746 54.840 -0.289 0.000 0.842 908 L CB -0.520 41.327 42.059 -0.352 0.000 0.953 908 L HN 0.188 nan 8.230 nan 0.000 0.452 909 V N 0.887 120.787 119.914 -0.024 0.000 2.220 909 V HA -0.247 3.875 4.120 0.002 0.000 0.246 909 V C 2.730 178.876 176.094 0.087 0.000 1.049 909 V CA 2.286 64.618 62.300 0.054 0.000 1.003 909 V CB -1.328 30.520 31.823 0.042 0.000 0.634 909 V HN 0.551 nan 8.190 nan 0.000 0.444 910 G N -0.107 108.712 108.800 0.032 0.000 2.547 910 G HA2 -0.272 3.690 3.960 0.002 0.000 0.221 910 G HA3 -0.272 3.690 3.960 0.002 0.000 0.221 910 G C 1.592 176.570 174.900 0.131 0.000 1.140 910 G CA 1.302 46.443 45.100 0.068 0.000 0.760 910 G HN 0.646 nan 8.290 nan 0.000 0.583 911 G N 0.749 109.585 108.800 0.060 0.000 2.418 911 G HA2 -0.185 3.776 3.960 0.002 0.000 0.217 911 G HA3 -0.185 3.776 3.960 0.002 0.000 0.217 911 G C 1.710 176.758 174.900 0.245 0.000 1.158 911 G CA 0.916 46.083 45.100 0.112 0.000 0.771 911 G HN 0.437 nan 8.290 nan 0.000 0.545 912 I N -1.276 119.437 120.570 0.239 0.000 2.617 912 I HA 0.045 4.216 4.170 0.002 0.000 0.256 912 I C 1.920 178.036 176.117 -0.003 0.000 1.167 912 I CA 0.833 62.252 61.300 0.199 0.000 1.469 912 I CB -0.585 37.516 38.000 0.168 0.000 1.098 912 I HN 0.284 nan 8.210 nan 0.000 0.436 913 W N 0.513 121.758 121.300 -0.092 0.000 2.595 913 W HA -0.095 4.566 4.660 0.002 0.000 0.257 913 W C 2.232 178.836 176.519 0.143 0.000 1.267 913 W CA 0.453 57.758 57.345 -0.066 0.000 1.300 913 W CB -0.338 29.102 29.460 -0.034 0.000 1.120 913 W HN 0.144 nan 8.180 nan 0.000 0.618 914 L N -0.092 121.319 121.223 0.314 0.000 2.156 914 L HA -0.061 4.280 4.340 0.002 0.000 0.208 914 L C 1.912 178.911 176.870 0.215 0.000 1.095 914 L CA 1.690 56.693 54.840 0.271 0.000 0.770 914 L CB -0.801 41.382 42.059 0.208 0.000 0.914 914 L HN -0.049 nan 8.230 nan 0.000 0.439 915 L N -2.679 118.683 121.223 0.232 0.000 2.549 915 L HA -0.214 4.127 4.340 0.002 0.000 0.230 915 L C 2.134 179.258 176.870 0.423 0.000 1.162 915 L CA 0.769 55.773 54.840 0.274 0.000 0.834 915 L CB -0.663 41.580 42.059 0.307 0.000 0.947 915 L HN 0.461 nan 8.230 nan 0.000 0.452 916 W N -0.420 120.802 121.300 -0.130 0.000 2.526 916 W HA -0.135 4.526 4.660 0.002 0.000 0.294 916 W C 2.375 178.867 176.519 -0.045 0.000 1.181 916 W CA -0.034 57.194 57.345 -0.195 0.000 1.373 916 W CB -0.240 28.994 29.460 -0.378 0.000 1.112 916 W HN 0.324 nan 8.180 nan 0.000 0.545 917 W N 1.694 123.058 121.300 0.105 0.000 2.332 917 W HA -0.247 4.414 4.660 0.002 0.000 0.321 917 W C 2.126 178.612 176.519 -0.055 0.000 1.219 917 W CA 2.034 59.390 57.345 0.018 0.000 1.277 917 W CB -0.994 28.490 29.460 0.040 0.000 1.161 917 W HN -0.278 nan 8.180 nan 0.000 0.476 918 M N 1.196 120.333 119.600 -0.772 0.000 2.446 918 M HA 0.094 4.576 4.480 0.002 0.000 0.263 918 M C 1.750 177.732 176.300 -0.529 0.000 1.066 918 M CA 1.634 56.208 55.300 -1.211 0.000 1.087 918 M CB -1.429 30.381 32.600 -1.317 0.000 1.406 918 M HN 0.333 nan 8.290 nan 0.000 0.459 919 G N 1.632 110.193 108.800 -0.399 0.000 2.341 919 G HA2 -0.267 3.694 3.960 0.002 0.000 0.292 919 G HA3 -0.267 3.694 3.960 0.002 0.000 0.292 919 G C -0.304 174.417 174.900 -0.297 0.000 1.021 919 G CA -0.217 44.638 45.100 -0.409 0.000 0.905 919 G HN 0.380 nan 8.290 nan 0.000 0.508 920 F N 2.697 122.359 119.950 -0.479 0.000 2.462 920 F HA 0.286 4.814 4.527 0.002 0.000 0.360 920 F C 2.202 177.682 175.800 -0.534 0.000 1.134 920 F CA -0.834 56.753 58.000 -0.688 0.000 1.148 920 F CB -0.068 38.697 39.000 -0.391 0.000 1.147 920 F HN 0.419 nan 8.300 nan 0.000 0.550 921 H N 3.941 122.876 119.070 -0.225 0.000 1.497 921 H HA -0.320 4.237 4.556 0.002 0.000 0.099 921 H C 1.090 176.239 175.328 -0.298 0.000 1.162 921 H CA 1.672 57.529 56.048 -0.318 0.000 1.883 921 H CB -1.340 28.194 29.762 -0.381 0.000 2.239 921 H HN 0.620 nan 8.280 nan 0.000 0.955 922 L N -1.184 119.991 121.223 -0.080 0.000 1.113 922 L HA 0.009 4.350 4.340 0.002 0.000 0.354 922 L C -0.869 175.952 176.870 -0.081 0.000 1.048 922 L CA 0.406 55.171 54.840 -0.125 0.000 1.210 922 L CB -0.397 41.529 42.059 -0.221 0.000 0.255 922 L HN 1.071 nan 8.230 nan 0.000 0.116 923 S N 1.667 117.356 115.700 -0.018 0.000 2.688 923 S HA 0.698 5.169 4.470 0.002 0.000 0.275 923 S C 0.534 175.161 174.600 0.046 0.000 1.175 923 S CA -0.355 57.894 58.200 0.081 0.000 0.818 923 S CB 1.512 64.783 63.200 0.118 0.000 1.157 923 S HN 1.127 nan 8.310 nan 0.000 0.482 924 V N 1.149 121.114 119.914 0.084 0.000 2.568 924 V HA -0.143 3.978 4.120 0.002 0.000 0.253 924 V C 2.861 178.883 176.094 -0.120 0.000 1.072 924 V CA 2.498 64.751 62.300 -0.078 0.000 1.084 924 V CB -1.758 30.008 31.823 -0.096 0.000 0.676 924 V HN 0.962 nan 8.190 nan 0.000 0.469 925 A N 0.975 123.946 122.820 0.252 0.000 1.873 925 A HA -0.211 4.110 4.320 0.002 0.000 0.215 925 A C 2.558 180.250 177.584 0.180 0.000 1.186 925 A CA 2.410 54.689 52.037 0.404 0.000 0.616 925 A CB -1.054 18.205 19.000 0.432 0.000 0.823 925 A HN 0.620 nan 8.150 nan 0.000 0.442 926 T N -2.551 112.050 114.554 0.079 0.000 2.788 926 T HA -0.004 4.347 4.350 0.002 0.000 0.268 926 T C 1.853 176.458 174.700 -0.159 0.000 1.044 926 T CA 1.716 63.812 62.100 -0.007 0.000 1.139 926 T CB -0.886 67.920 68.868 -0.103 0.000 0.867 926 T HN 0.424 nan 8.240 nan 0.000 0.454 927 G N 0.580 109.246 108.800 -0.222 0.000 2.471 927 G HA2 -0.083 3.878 3.960 0.002 0.000 0.219 927 G HA3 -0.083 3.878 3.960 0.002 0.000 0.219 927 G C 1.628 176.436 174.900 -0.154 0.000 1.125 927 G CA 1.146 46.101 45.100 -0.241 0.000 0.775 927 G HN 0.540 nan 8.290 nan 0.000 0.548 928 T N 0.672 115.155 114.554 -0.118 0.000 2.812 928 T HA 0.022 4.373 4.350 0.002 0.000 0.264 928 T C 2.518 177.278 174.700 0.100 0.000 1.042 928 T CA 1.258 63.310 62.100 -0.080 0.000 1.140 928 T CB -0.342 68.611 68.868 0.142 0.000 0.870 928 T HN 0.323 nan 8.240 nan 0.000 0.445 929 G N 0.785 109.698 108.800 0.188 0.000 2.421 929 G HA2 -0.142 3.819 3.960 0.002 0.000 0.216 929 G HA3 -0.142 3.819 3.960 0.002 0.000 0.216 929 G C 1.265 176.330 174.900 0.275 0.000 1.171 929 G CA 0.322 45.570 45.100 0.247 0.000 0.775 929 G HN 0.351 nan 8.290 nan 0.000 0.543 930 F N 1.262 121.213 119.950 0.002 0.000 2.091 930 F HA -0.101 4.427 4.527 0.002 0.000 0.299 930 F C 2.709 178.471 175.800 -0.064 0.000 1.103 930 F CA 0.331 58.317 58.000 -0.023 0.000 1.228 930 F CB -0.463 38.512 39.000 -0.042 0.000 0.984 930 F HN 0.029 nan 8.300 nan 0.000 0.477 931 I N -0.274 120.325 120.570 0.048 0.000 2.264 931 I HA -0.287 3.885 4.170 0.002 0.000 0.248 931 I C 2.554 178.655 176.117 -0.026 0.000 1.111 931 I CA 1.577 62.803 61.300 -0.123 0.000 1.382 931 I CB -1.903 35.792 38.000 -0.507 0.000 1.060 931 I HN 0.081 nan 8.210 nan 0.000 0.418 932 A N 0.696 123.558 122.820 0.071 0.000 1.898 932 A HA -0.123 4.198 4.320 0.002 0.000 0.214 932 A C 2.424 180.033 177.584 0.042 0.000 1.183 932 A CA 0.868 52.972 52.037 0.112 0.000 0.622 932 A CB -0.773 18.332 19.000 0.176 0.000 0.824 932 A HN 0.407 nan 8.150 nan 0.000 0.444 933 L N -0.234 121.010 121.223 0.035 0.000 1.990 933 L HA -0.224 4.117 4.340 0.002 0.000 0.213 933 L C 2.679 179.530 176.870 -0.031 0.000 1.072 933 L CA 1.933 56.768 54.840 -0.009 0.000 0.755 933 L CB -0.394 41.626 42.059 -0.065 0.000 0.889 933 L HN 0.366 nan 8.230 nan 0.000 0.432 934 A N -0.429 122.367 122.820 -0.040 0.000 2.076 934 A HA -0.110 4.211 4.320 0.002 0.000 0.220 934 A C 2.183 179.750 177.584 -0.028 0.000 1.160 934 A CA 1.494 53.510 52.037 -0.036 0.000 0.653 934 A CB -1.180 17.795 19.000 -0.042 0.000 0.801 934 A HN 0.633 nan 8.150 nan 0.000 0.455 935 G N -1.206 107.575 108.800 -0.032 0.000 2.396 935 G HA2 -0.011 3.951 3.960 0.002 0.000 0.214 935 G HA3 -0.011 3.951 3.960 0.002 0.000 0.214 935 G C 1.548 176.386 174.900 -0.103 0.000 1.166 935 G CA 0.953 46.026 45.100 -0.045 0.000 0.793 935 G HN 0.375 nan 8.290 nan 0.000 0.533 936 V N 1.208 121.037 119.914 -0.141 0.000 2.453 936 V HA 0.076 4.198 4.120 0.002 0.000 0.247 936 V C 3.129 178.976 176.094 -0.411 0.000 1.048 936 V CA 2.245 64.350 62.300 -0.325 0.000 1.049 936 V CB -0.344 31.300 31.823 -0.299 0.000 0.672 936 V HN 0.402 nan 8.190 nan 0.000 0.457 937 A N -0.073 122.678 122.820 -0.115 0.000 1.873 937 A HA -0.051 4.270 4.320 0.002 0.000 0.215 937 A C 2.442 180.076 177.584 0.084 0.000 1.186 937 A CA 2.033 54.120 52.037 0.083 0.000 0.616 937 A CB -1.049 18.031 19.000 0.134 0.000 0.823 937 A HN 0.767 nan 8.150 nan 0.000 0.442 938 A N -0.176 122.661 122.820 0.028 0.000 1.908 938 A HA -0.236 4.085 4.320 0.002 0.000 0.218 938 A C 2.088 179.693 177.584 0.036 0.000 1.181 938 A CA 2.013 54.078 52.037 0.047 0.000 0.627 938 A CB -0.528 18.484 19.000 0.019 0.000 0.818 938 A HN 0.604 nan 8.150 nan 0.000 0.445 939 E N -0.452 119.712 120.200 -0.060 0.000 2.058 939 E HA -0.208 4.143 4.350 0.002 0.000 0.194 939 E C 1.768 178.385 176.600 0.028 0.000 0.997 939 E CA 1.464 57.817 56.400 -0.079 0.000 0.801 939 E CB -0.430 29.131 29.700 -0.231 0.000 0.746 939 E HN 0.490 nan 8.360 nan 0.000 0.450 940 F N 0.993 120.965 119.950 0.037 0.000 2.126 940 F HA -0.064 4.464 4.527 0.002 0.000 0.299 940 F C 2.598 178.426 175.800 0.048 0.000 1.096 940 F CA 1.268 59.288 58.000 0.033 0.000 1.255 940 F CB -1.330 37.679 39.000 0.014 0.000 0.997 940 F HN 0.175 nan 8.300 nan 0.000 0.479 941 G N -0.246 108.707 108.800 0.255 0.000 2.446 941 G HA2 -0.205 3.757 3.960 0.002 0.000 0.217 941 G HA3 -0.205 3.757 3.960 0.002 0.000 0.217 941 G C 1.978 176.972 174.900 0.157 0.000 1.168 941 G CA 1.204 46.417 45.100 0.188 0.000 0.771 941 G HN 0.261 nan 8.290 nan 0.000 0.551 942 V N 0.174 120.184 119.914 0.160 0.000 2.255 942 V HA -0.182 3.940 4.120 0.002 0.000 0.247 942 V C 2.888 179.054 176.094 0.119 0.000 1.051 942 V CA 1.741 64.154 62.300 0.189 0.000 1.018 942 V CB -0.457 31.485 31.823 0.197 0.000 0.641 942 V HN 0.239 nan 8.190 nan 0.000 0.445 943 V N -0.817 119.154 119.914 0.094 0.000 2.469 943 V HA -0.291 3.831 4.120 0.002 0.000 0.251 943 V C 2.219 178.248 176.094 -0.109 0.000 1.064 943 V CA 2.691 64.981 62.300 -0.016 0.000 1.066 943 V CB -0.097 31.789 31.823 0.106 0.000 0.667 943 V HN 0.590 nan 8.190 nan 0.000 0.461 944 M N -1.189 118.451 119.600 0.067 0.000 2.394 944 M HA 0.122 4.604 4.480 0.002 0.000 0.266 944 M C 1.679 178.013 176.300 0.057 0.000 1.098 944 M CA 1.444 56.831 55.300 0.145 0.000 1.149 944 M CB -0.409 32.276 32.600 0.141 0.000 1.369 944 M HN 0.256 nan 8.290 nan 0.000 0.450 945 L N -0.000 121.211 121.223 -0.019 0.000 2.056 945 L HA -0.176 4.165 4.340 0.002 0.000 0.207 945 L C 2.263 178.945 176.870 -0.312 0.000 1.078 945 L CA 1.783 56.566 54.840 -0.095 0.000 0.749 945 L CB -0.876 41.130 42.059 -0.089 0.000 0.901 945 L HN 0.390 nan 8.230 nan 0.000 0.433 946 M N -0.749 118.549 119.600 -0.502 0.000 2.082 946 M HA -0.304 4.177 4.480 0.002 0.000 0.258 946 M C 2.374 178.553 176.300 -0.201 0.000 1.069 946 M CA 1.940 56.908 55.300 -0.553 0.000 1.102 946 M CB -1.055 31.367 32.600 -0.296 0.000 1.336 946 M HN 0.260 nan 8.290 nan 0.000 0.404 947 Y N 0.717 120.991 120.300 -0.044 0.000 2.128 947 Y HA -0.313 4.238 4.550 0.002 0.000 0.284 947 Y C 2.271 178.211 175.900 0.066 0.000 1.154 947 Y CA 1.379 59.487 58.100 0.014 0.000 1.149 947 Y CB -0.631 37.841 38.460 0.019 0.000 0.976 947 Y HN 0.381 nan 8.280 nan 0.000 0.505 948 L N -0.947 120.357 121.223 0.135 0.000 2.291 948 L HA -0.018 4.324 4.340 0.002 0.000 0.214 948 L C 1.893 178.722 176.870 -0.069 0.000 1.120 948 L CA 1.166 56.005 54.840 -0.001 0.000 0.799 948 L CB -0.834 41.122 42.059 -0.172 0.000 0.925 948 L HN -0.037 nan 8.230 nan 0.000 0.446 949 R N -0.382 120.082 120.500 -0.061 0.000 2.073 949 R HA -0.126 4.215 4.340 0.002 0.000 0.229 949 R C 2.385 178.710 176.300 0.042 0.000 1.120 949 R CA 1.309 57.386 56.100 -0.038 0.000 0.967 949 R CB -0.875 29.375 30.300 -0.083 0.000 0.862 949 R HN 0.659 nan 8.270 nan 0.000 0.436 950 H N 1.044 120.120 119.070 0.012 0.000 2.352 950 H HA -0.077 4.481 4.556 0.002 0.000 0.299 950 H C 1.622 176.982 175.328 0.053 0.000 1.097 950 H CA 1.780 57.858 56.048 0.050 0.000 1.311 950 H CB 0.081 29.897 29.762 0.091 0.000 1.377 950 H HN 0.143 nan 8.280 nan 0.000 0.504 951 A N 1.995 124.911 122.820 0.159 0.000 1.849 951 A HA -0.170 4.151 4.320 0.002 0.000 0.217 951 A C 2.920 180.495 177.584 -0.015 0.000 1.202 951 A CA 1.896 54.018 52.037 0.142 0.000 0.629 951 A CB -1.184 18.027 19.000 0.351 0.000 0.834 951 A HN 0.479 nan 8.150 nan 0.000 0.447 952 I N -0.426 120.128 120.570 -0.026 0.000 2.185 952 I HA -0.313 3.858 4.170 0.002 0.000 0.246 952 I C 2.600 178.687 176.117 -0.051 0.000 1.088 952 I CA 2.050 63.326 61.300 -0.039 0.000 1.347 952 I CB -0.396 37.578 38.000 -0.043 0.000 1.041 952 I HN 0.617 nan 8.210 nan 0.000 0.415 953 E N 0.957 121.110 120.200 -0.078 0.000 2.268 953 E HA -0.135 4.216 4.350 0.002 0.000 0.195 953 E C 1.420 177.941 176.600 -0.133 0.000 0.995 953 E CA 0.858 57.204 56.400 -0.090 0.000 0.836 953 E CB 0.222 29.873 29.700 -0.081 0.000 0.763 953 E HN 0.524 nan 8.360 nan 0.000 0.491 954 A N -0.164 122.535 122.820 -0.202 0.000 3.699 954 A HA 0.240 4.561 4.320 0.002 0.000 0.167 954 A C 1.764 179.297 177.584 -0.087 0.000 1.780 954 A CA 0.173 52.093 52.037 -0.195 0.000 1.483 954 A CB -0.514 18.272 19.000 -0.357 0.000 1.720 954 A HN 0.034 nan 8.150 nan 0.000 0.671 955 V N 1.181 121.057 119.914 -0.062 0.000 2.255 955 V HA -0.153 3.968 4.120 0.002 0.000 0.247 955 V C -0.547 175.549 176.094 0.004 0.000 1.051 955 V CA 2.641 64.932 62.300 -0.015 0.000 1.018 955 V CB -2.221 29.604 31.823 0.003 0.000 0.641 955 V HN 0.558 nan 8.190 nan 0.000 0.445 956 P HA -0.263 nan 4.420 nan 0.000 0.207 956 P C 1.992 179.292 177.300 0.001 0.000 0.954 956 P CA 2.454 65.561 63.100 0.012 0.000 0.990 956 P CB -0.363 31.348 31.700 0.019 0.000 0.721 957 S N -1.448 114.252 115.700 0.000 0.000 2.528 957 S HA -0.073 4.399 4.470 0.002 0.000 0.244 957 S C 1.552 176.164 174.600 0.020 0.000 0.982 957 S CA 0.514 58.724 58.200 0.017 0.000 0.953 957 S CB -0.909 62.303 63.200 0.019 0.000 0.754 957 S HN -0.058 nan 8.310 nan 0.000 0.529 958 L N 1.223 122.451 121.223 0.008 0.000 2.591 958 L HA 0.259 4.600 4.340 0.002 0.000 0.228 958 L C 0.144 177.021 176.870 0.013 0.000 1.133 958 L CA 0.721 55.566 54.840 0.009 0.000 0.880 958 L CB -0.899 41.159 42.059 -0.001 0.000 1.033 958 L HN 0.265 nan 8.230 nan 0.000 0.450 959 N N 0.598 119.306 118.700 0.014 0.000 2.480 959 N HA 0.053 4.794 4.740 0.002 0.000 0.281 959 N C 0.579 176.100 175.510 0.018 0.000 1.381 959 N CA -0.008 53.050 53.050 0.013 0.000 0.903 959 N CB 0.217 38.709 38.487 0.008 0.000 1.274 959 N HN 0.332 nan 8.380 nan 0.000 0.505 960 N N -2.424 116.296 118.700 0.034 0.000 1.900 960 N HA 0.122 4.864 4.740 0.002 0.000 0.227 960 N C -2.258 173.301 175.510 0.081 0.000 1.411 960 N CA -0.205 52.878 53.050 0.054 0.000 0.780 960 N CB -0.332 38.197 38.487 0.070 0.000 1.082 960 N HN -0.120 nan 8.380 nan 0.000 0.505 961 P HA 0.010 nan 4.420 nan 0.000 0.259 961 P C 0.747 178.091 177.300 0.074 0.000 1.307 961 P CA 0.790 63.942 63.100 0.087 0.000 0.768 961 P CB 0.363 32.102 31.700 0.066 0.000 1.199 962 Q N -0.020 119.811 119.800 0.051 0.000 1.865 962 Q HA 0.023 4.364 4.340 0.002 0.000 0.268 962 Q C 1.596 177.602 176.000 0.011 0.000 0.961 962 Q CA 1.880 57.696 55.803 0.023 0.000 0.870 962 Q CB -1.073 27.663 28.738 -0.004 0.000 0.929 962 Q HN -0.083 nan 8.270 nan 0.000 0.450 963 T N 0.999 115.516 114.554 -0.062 0.000 3.081 963 T HA 0.240 4.592 4.350 0.002 0.000 0.255 963 T C -0.444 174.031 174.700 -0.374 0.000 1.113 963 T CA 0.568 62.543 62.100 -0.208 0.000 1.082 963 T CB -0.816 67.884 68.868 -0.280 0.000 0.939 963 T HN 0.503 nan 8.240 nan 0.000 0.506 964 F N -0.688 119.262 119.950 0.000 0.000 2.183 964 F HA -0.206 4.322 4.527 0.002 0.000 0.318 964 F C 0.428 176.220 175.800 -0.012 0.000 1.293 964 F CA -0.343 57.658 58.000 0.003 0.000 0.912 964 F CB -1.543 37.457 39.000 0.000 0.000 4.135 964 F HN 0.100 nan 8.300 nan 0.000 0.137 965 S N -0.101 115.881 115.700 0.469 0.000 4.159 965 S HA -0.397 4.074 4.470 0.002 0.000 0.538 965 S C 1.028 175.692 174.600 0.106 0.000 1.856 965 S CA 2.350 60.722 58.200 0.288 0.000 4.240 965 S CB -1.211 62.247 63.200 0.431 0.000 0.335 965 S HN 1.603 nan 8.310 nan 0.000 0.455 966 E N -0.172 120.056 120.200 0.045 0.000 3.182 966 E HA -0.296 4.055 4.350 0.002 0.000 0.399 966 E C 0.996 177.585 176.600 -0.018 0.000 1.476 966 E CA 2.114 58.504 56.400 -0.018 0.000 1.220 966 E CB -1.382 28.305 29.700 -0.022 0.000 1.538 966 E HN 0.962 nan 8.360 nan 0.000 0.480 967 Q N -0.350 119.438 119.800 -0.020 0.000 1.656 967 Q HA 0.116 4.457 4.340 0.002 0.000 0.159 967 Q C 1.125 177.093 176.000 -0.054 0.000 0.744 967 Q CA 0.204 55.986 55.803 -0.035 0.000 0.767 967 Q CB -0.131 28.594 28.738 -0.020 0.000 1.205 967 Q HN 0.177 nan 8.270 nan 0.000 0.368 968 K N 1.668 122.042 120.400 -0.042 0.000 2.147 968 K HA -0.043 4.278 4.320 0.002 0.000 0.205 968 K C 2.116 178.652 176.600 -0.106 0.000 1.049 968 K CA 1.530 57.780 56.287 -0.061 0.000 0.936 968 K CB -0.190 32.295 32.500 -0.025 0.000 0.722 968 K HN 0.435 nan 8.250 nan 0.000 0.446 969 L N -0.507 120.669 121.223 -0.079 0.000 2.056 969 L HA -0.037 4.304 4.340 0.002 0.000 0.207 969 L C 1.438 178.203 176.870 -0.176 0.000 1.078 969 L CA 1.892 56.671 54.840 -0.102 0.000 0.749 969 L CB -0.875 41.161 42.059 -0.039 0.000 0.901 969 L HN -0.130 nan 8.230 nan 0.000 0.433 970 D N 0.331 120.642 120.400 -0.149 0.000 2.144 970 D HA -0.206 4.435 4.640 0.002 0.000 0.200 970 D C 2.163 178.290 176.300 -0.289 0.000 0.978 970 D CA 1.635 55.540 54.000 -0.158 0.000 0.833 970 D CB -0.100 40.646 40.800 -0.090 0.000 0.961 970 D HN 0.836 nan 8.370 nan 0.000 0.470 971 E N 0.532 120.501 120.200 -0.386 0.000 2.216 971 E HA -0.026 4.325 4.350 0.002 0.000 0.192 971 E C 1.959 177.782 176.600 -1.296 0.000 0.988 971 E CA 0.831 56.671 56.400 -0.934 0.000 0.834 971 E CB -0.075 29.391 29.700 -0.389 0.000 0.772 971 E HN 0.167 nan 8.360 nan 0.000 0.479 972 A N 1.620 124.051 122.820 -0.647 0.000 1.845 972 A HA -0.135 4.186 4.320 0.002 0.000 0.215 972 A C 2.174 179.142 177.584 -1.026 0.000 1.195 972 A CA 1.336 53.006 52.037 -0.613 0.000 0.616 972 A CB -0.682 18.162 19.000 -0.261 0.000 0.832 972 A HN 0.268 nan 8.150 nan 0.000 0.443 973 L N -0.341 120.532 121.223 -0.584 0.000 2.261 973 L HA -0.192 4.149 4.340 0.002 0.000 0.216 973 L C 2.434 179.150 176.870 -0.257 0.000 1.114 973 L CA 1.869 56.478 54.840 -0.385 0.000 0.777 973 L CB -1.474 40.463 42.059 -0.205 0.000 0.910 973 L HN 0.775 nan 8.230 nan 0.000 0.440 974 Y N -2.096 118.075 120.300 -0.214 0.000 2.516 974 Y HA -0.135 4.417 4.550 0.002 0.000 0.291 974 Y C 2.542 178.484 175.900 0.070 0.000 1.131 974 Y CA 0.719 58.792 58.100 -0.044 0.000 1.281 974 Y CB -0.779 37.711 38.460 0.050 0.000 1.013 974 Y HN 0.430 nan 8.280 nan 0.000 0.554 975 H N -0.572 118.802 119.070 0.507 0.000 2.448 975 H HA 0.218 4.775 4.556 0.003 0.000 0.292 975 H C 2.177 177.595 175.328 0.149 0.000 1.035 975 H CA 0.676 56.941 56.048 0.362 0.000 1.349 975 H CB -1.078 28.840 29.762 0.261 0.000 1.425 975 H HN 0.305 nan 8.280 nan 0.000 0.539 976 G N 0.334 109.377 108.800 0.406 0.000 2.443 976 G HA2 -0.119 3.842 3.960 0.002 0.000 0.219 976 G HA3 -0.119 3.842 3.960 0.002 0.000 0.219 976 G C 1.815 176.748 174.900 0.056 0.000 1.131 976 G CA 0.752 45.979 45.100 0.211 0.000 0.775 976 G HN 0.683 nan 8.290 nan 0.000 0.547 977 A N -0.077 122.798 122.820 0.093 0.000 2.067 977 A HA 0.254 4.575 4.320 0.002 0.000 0.217 977 A C 2.405 179.908 177.584 -0.134 0.000 1.156 977 A CA 1.393 53.458 52.037 0.047 0.000 0.683 977 A CB -0.294 18.886 19.000 0.299 0.000 0.808 977 A HN 0.449 nan 8.150 nan 0.000 0.455 978 V N 0.302 120.246 119.914 0.050 0.000 2.649 978 V HA -0.067 4.054 4.120 0.002 0.000 0.248 978 V C 2.072 178.158 176.094 -0.014 0.000 1.054 978 V CA 1.651 64.036 62.300 0.142 0.000 1.073 978 V CB -0.366 31.746 31.823 0.482 0.000 0.699 978 V HN 0.586 nan 8.190 nan 0.000 0.463 979 L N 0.695 121.876 121.223 -0.071 0.000 2.478 979 L HA 0.141 4.482 4.340 0.002 0.000 0.223 979 L C 2.188 178.929 176.870 -0.215 0.000 1.140 979 L CA 1.853 56.590 54.840 -0.173 0.000 0.842 979 L CB -1.118 40.763 42.059 -0.297 0.000 0.953 979 L HN 0.435 nan 8.230 nan 0.000 0.452 980 R N 0.627 121.007 120.500 -0.199 0.000 2.237 980 R HA 0.153 4.494 4.340 0.002 0.000 0.195 980 R C 1.761 177.962 176.300 -0.165 0.000 0.956 980 R CA 1.038 57.050 56.100 -0.146 0.000 1.029 980 R CB -1.635 28.603 30.300 -0.103 0.000 0.972 980 R HN 0.272 nan 8.270 nan 0.000 0.493 981 V N -0.941 118.836 119.914 -0.228 0.000 2.453 981 V HA 0.011 4.132 4.120 0.002 0.000 0.247 981 V C 2.284 178.335 176.094 -0.072 0.000 1.048 981 V CA 1.379 63.539 62.300 -0.233 0.000 1.049 981 V CB -0.641 30.980 31.823 -0.337 0.000 0.672 981 V HN 0.142 nan 8.190 nan 0.000 0.457 982 R N 0.929 121.398 120.500 -0.051 0.000 2.091 982 R HA -0.071 4.270 4.340 0.002 0.000 0.238 982 R C 0.095 176.505 176.300 0.182 0.000 1.136 982 R CA 2.348 58.476 56.100 0.047 0.000 0.959 982 R CB -1.548 28.746 30.300 -0.010 0.000 0.856 982 R HN 0.502 nan 8.270 nan 0.000 0.437 983 P HA -0.082 nan 4.420 nan 0.000 0.208 983 P C 0.719 178.013 177.300 -0.011 0.000 1.203 983 P CA 1.018 64.141 63.100 0.039 0.000 0.920 983 P CB 0.035 31.759 31.700 0.040 0.000 0.769 984 K N 0.114 120.466 120.400 -0.081 0.000 2.052 984 K HA -0.184 4.138 4.320 0.002 0.000 0.215 984 K C 2.164 178.667 176.600 -0.162 0.000 1.053 984 K CA 2.231 58.385 56.287 -0.221 0.000 0.934 984 K CB -1.664 30.610 32.500 -0.377 0.000 0.717 984 K HN 0.035 nan 8.250 nan 0.000 0.450 985 A N 0.471 123.263 122.820 -0.046 0.000 1.958 985 A HA -0.269 4.052 4.320 0.002 0.000 0.221 985 A C 2.239 179.745 177.584 -0.130 0.000 1.178 985 A CA 2.257 54.331 52.037 0.063 0.000 0.642 985 A CB -0.549 18.646 19.000 0.326 0.000 0.816 985 A HN 0.455 nan 8.150 nan 0.000 0.453 986 M N -1.711 117.623 119.600 -0.444 0.000 2.098 986 M HA -0.096 4.385 4.480 0.002 0.000 0.262 986 M C 2.297 178.349 176.300 -0.413 0.000 1.072 986 M CA 2.215 56.920 55.300 -0.992 0.000 1.133 986 M CB -0.293 31.658 32.600 -1.082 0.000 1.344 986 M HN 0.375 nan 8.290 nan 0.000 0.414 987 T N -0.117 114.316 114.554 -0.202 0.000 2.803 987 T HA -0.115 4.237 4.350 0.002 0.000 0.269 987 T C 1.550 176.248 174.700 -0.004 0.000 1.052 987 T CA 1.653 63.727 62.100 -0.043 0.000 1.136 987 T CB -0.274 68.670 68.868 0.128 0.000 0.864 987 T HN 0.297 nan 8.240 nan 0.000 0.467 988 V N 1.328 121.217 119.914 -0.042 0.000 2.453 988 V HA -0.020 4.101 4.120 0.002 0.000 0.247 988 V C 2.877 178.954 176.094 -0.029 0.000 1.048 988 V CA 1.481 63.773 62.300 -0.013 0.000 1.049 988 V CB -1.177 30.611 31.823 -0.058 0.000 0.672 988 V HN 0.566 nan 8.190 nan 0.000 0.457 989 A N 1.003 123.772 122.820 -0.084 0.000 1.865 989 A HA -0.194 4.128 4.320 0.002 0.000 0.217 989 A C 2.425 179.973 177.584 -0.059 0.000 1.191 989 A CA 2.599 54.591 52.037 -0.075 0.000 0.623 989 A CB -0.936 17.982 19.000 -0.137 0.000 0.826 989 A HN 0.597 nan 8.150 nan 0.000 0.444 990 V N -2.033 117.830 119.914 -0.084 0.000 2.407 990 V HA -0.228 3.893 4.120 0.002 0.000 0.248 990 V C 2.239 178.326 176.094 -0.012 0.000 1.055 990 V CA 2.024 64.291 62.300 -0.055 0.000 1.049 990 V CB -1.046 30.736 31.823 -0.068 0.000 0.662 990 V HN 0.314 nan 8.190 nan 0.000 0.455 991 I N 0.327 120.901 120.570 0.007 0.000 2.142 991 I HA -0.146 4.026 4.170 0.002 0.000 0.240 991 I C 2.454 178.594 176.117 0.039 0.000 1.078 991 I CA 1.459 62.780 61.300 0.034 0.000 1.343 991 I CB -0.642 37.394 38.000 0.060 0.000 1.046 991 I HN 0.191 nan 8.210 nan 0.000 0.405 992 I N 0.509 121.097 120.570 0.031 0.000 2.335 992 I HA -0.245 3.926 4.170 0.002 0.000 0.251 992 I C 2.433 178.567 176.117 0.029 0.000 1.129 992 I CA 1.587 62.907 61.300 0.034 0.000 1.402 992 I CB -1.750 36.264 38.000 0.023 0.000 1.069 992 I HN 0.200 nan 8.210 nan 0.000 0.424 993 A N 0.440 123.268 122.820 0.014 0.000 2.169 993 A HA 0.209 4.531 4.320 0.002 0.000 0.212 993 A C 2.333 179.931 177.584 0.023 0.000 1.153 993 A CA 1.065 53.107 52.037 0.009 0.000 0.756 993 A CB -0.769 18.223 19.000 -0.013 0.000 0.813 993 A HN 0.426 nan 8.150 nan 0.000 0.471 994 G N -0.564 108.256 108.800 0.033 0.000 2.595 994 G HA2 0.150 4.111 3.960 0.002 0.000 0.213 994 G HA3 0.150 4.111 3.960 0.002 0.000 0.213 994 G C 1.339 176.280 174.900 0.068 0.000 1.141 994 G CA 0.577 45.705 45.100 0.047 0.000 0.806 994 G HN 0.408 nan 8.290 nan 0.000 0.530 995 L N 0.262 121.529 121.223 0.074 0.000 2.298 995 L HA 0.265 4.607 4.340 0.002 0.000 0.209 995 L C 2.487 179.420 176.870 0.106 0.000 1.084 995 L CA -0.150 54.748 54.840 0.096 0.000 0.816 995 L CB -0.449 41.671 42.059 0.102 0.000 0.967 995 L HN 0.064 nan 8.230 nan 0.000 0.460 996 L N 2.040 123.316 121.223 0.088 0.000 2.013 996 L HA -0.127 4.215 4.340 0.002 0.000 0.212 996 L C -0.211 176.733 176.870 0.124 0.000 1.073 996 L CA 2.495 57.391 54.840 0.093 0.000 0.753 996 L CB -1.756 40.333 42.059 0.050 0.000 0.890 996 L HN 0.136 nan 8.230 nan 0.000 0.432 997 P HA -0.220 nan 4.420 nan 0.000 0.214 997 P C 1.858 179.255 177.300 0.160 0.000 1.169 997 P CA 2.202 65.378 63.100 0.127 0.000 0.908 997 P CB -0.344 31.415 31.700 0.098 0.000 0.791 998 I N -3.703 116.951 120.570 0.141 0.000 2.850 998 I HA -0.141 4.030 4.170 0.002 0.000 0.266 998 I C 1.750 177.967 176.117 0.166 0.000 1.257 998 I CA 1.652 63.036 61.300 0.140 0.000 1.465 998 I CB -1.127 36.949 38.000 0.128 0.000 1.091 998 I HN -0.136 nan 8.210 nan 0.000 0.467 999 L N -1.073 120.271 121.223 0.201 0.000 2.249 999 L HA 0.015 4.356 4.340 0.002 0.000 0.207 999 L C 2.370 179.420 176.870 0.299 0.000 1.090 999 L CA 0.688 55.670 54.840 0.236 0.000 0.802 999 L CB -0.631 41.570 42.059 0.236 0.000 0.947 999 L HN 0.562 nan 8.230 nan 0.000 0.453 1000 W N 1.018 122.370 121.300 0.088 0.000 2.576 1000 W HA 0.168 4.829 4.660 0.002 0.000 0.270 1000 W C 0.342 176.905 176.519 0.074 0.000 1.255 1000 W CA 0.744 58.136 57.345 0.079 0.000 1.314 1000 W CB 0.592 30.086 29.460 0.058 0.000 1.101 1000 W HN 0.051 nan 8.180 nan 0.000 0.595 1001 G N -0.218 108.602 108.800 0.033 0.000 2.720 1001 G HA2 0.413 4.374 3.960 0.002 0.000 0.295 1001 G HA3 0.413 4.374 3.960 0.002 0.000 0.295 1001 G C -1.560 173.347 174.900 0.011 0.000 1.437 1001 G CA -0.220 44.836 45.100 -0.073 0.000 0.886 1001 G HN -0.195 nan 8.290 nan 0.000 0.509 1002 T N -0.753 113.795 114.554 -0.011 0.000 4.307 1002 T HA 0.449 4.800 4.350 0.002 0.000 0.339 1002 T C 0.958 175.659 174.700 0.002 0.000 0.801 1002 T CA 0.695 62.805 62.100 0.016 0.000 0.962 1002 T CB 0.191 69.081 68.868 0.037 0.000 1.110 1002 T HN 1.367 nan 8.240 nan 0.000 0.466 1003 G N 2.203 111.006 108.800 0.005 0.000 2.777 1003 G HA2 0.472 4.434 3.960 0.002 0.000 0.211 1003 G HA3 0.472 4.434 3.960 0.002 0.000 0.211 1003 G C 0.680 175.585 174.900 0.007 0.000 1.149 1003 G CA 0.274 45.375 45.100 0.001 0.000 0.785 1003 G HN 1.156 nan 8.290 nan 0.000 0.536 1004 A N 0.440 123.270 122.820 0.016 0.000 2.802 1004 A HA 0.647 4.968 4.320 0.002 0.000 0.344 1004 A C 0.818 178.415 177.584 0.022 0.000 1.215 1004 A CA 0.106 52.154 52.037 0.018 0.000 0.821 1004 A CB -0.260 18.754 19.000 0.023 0.000 1.099 1004 A HN 1.467 nan 8.150 nan 0.000 0.479 1005 G N 1.015 109.824 108.800 0.015 0.000 2.329 1005 G HA2 -0.070 3.891 3.960 0.002 0.000 0.204 1005 G HA3 -0.070 3.891 3.960 0.002 0.000 0.204 1005 G C 0.323 175.239 174.900 0.027 0.000 0.435 1005 G CA 0.515 45.624 45.100 0.014 0.000 0.977 1005 G HN 1.118 nan 8.290 nan 0.000 0.366 1006 S N 1.364 117.085 115.700 0.035 0.000 3.031 1006 S HA 0.205 4.676 4.470 0.002 0.000 0.253 1006 S C 1.226 175.868 174.600 0.071 0.000 0.996 1006 S CA -0.022 58.214 58.200 0.060 0.000 1.098 1006 S CB 0.534 63.781 63.200 0.077 0.000 1.042 1006 S HN 0.629 nan 8.310 nan 0.000 0.593 1007 E N 0.851 121.072 120.200 0.035 0.000 2.418 1007 E HA 0.019 4.371 4.350 0.002 0.000 0.197 1007 E C 1.635 178.247 176.600 0.020 0.000 1.026 1007 E CA 0.387 56.795 56.400 0.013 0.000 0.862 1007 E CB 0.113 29.790 29.700 -0.039 0.000 0.799 1007 E HN 0.369 nan 8.360 nan 0.000 0.518 1008 V N -0.787 119.150 119.914 0.038 0.000 2.911 1008 V HA 0.009 4.130 4.120 0.002 0.000 0.237 1008 V C 1.554 177.709 176.094 0.101 0.000 1.156 1008 V CA 0.452 62.780 62.300 0.047 0.000 1.180 1008 V CB 0.034 31.843 31.823 -0.024 0.000 0.932 1008 V HN 0.184 nan 8.190 nan 0.000 0.483 1009 M N 0.101 119.759 119.600 0.096 0.000 2.108 1009 M HA -0.154 4.328 4.480 0.002 0.000 0.261 1009 M C 2.448 178.849 176.300 0.169 0.000 1.066 1009 M CA 2.269 57.644 55.300 0.125 0.000 1.107 1009 M CB -0.601 32.063 32.600 0.106 0.000 1.356 1009 M HN 0.527 nan 8.290 nan 0.000 0.406 1010 S N 0.311 116.126 115.700 0.192 0.000 2.356 1010 S HA -0.127 4.345 4.470 0.002 0.000 0.223 1010 S C 1.993 176.785 174.600 0.319 0.000 1.032 1010 S CA 1.071 59.428 58.200 0.263 0.000 1.005 1010 S CB -0.115 63.285 63.200 0.333 0.000 0.867 1010 S HN 0.348 nan 8.310 nan 0.000 0.449 1011 R N 1.147 121.826 120.500 0.298 0.000 2.139 1011 R HA -0.087 4.254 4.340 0.002 0.000 0.243 1011 R C 2.358 178.814 176.300 0.259 0.000 1.145 1011 R CA 1.673 57.945 56.100 0.286 0.000 0.976 1011 R CB -1.085 29.319 30.300 0.174 0.000 0.866 1011 R HN 0.795 nan 8.270 nan 0.000 0.449 1012 I N -2.373 118.345 120.570 0.246 0.000 3.427 1012 I HA 0.164 4.335 4.170 0.002 0.000 0.288 1012 I C 1.916 178.172 176.117 0.233 0.000 1.249 1012 I CA 0.833 62.282 61.300 0.247 0.000 1.421 1012 I CB 0.072 38.238 38.000 0.276 0.000 1.086 1012 I HN -0.090 nan 8.210 nan 0.000 0.448 1013 A N 1.427 124.379 122.820 0.219 0.000 1.898 1013 A HA 0.224 4.545 4.320 0.002 0.000 0.214 1013 A C 2.531 180.228 177.584 0.189 0.000 1.183 1013 A CA 1.189 53.339 52.037 0.189 0.000 0.622 1013 A CB -0.873 18.232 19.000 0.174 0.000 0.824 1013 A HN 0.543 nan 8.150 nan 0.000 0.444 1014 A N 0.750 123.698 122.820 0.213 0.000 1.849 1014 A HA -0.084 4.237 4.320 0.002 0.000 0.217 1014 A C 0.238 177.947 177.584 0.208 0.000 1.202 1014 A CA 2.025 54.175 52.037 0.188 0.000 0.629 1014 A CB -1.896 17.209 19.000 0.174 0.000 0.834 1014 A HN 0.402 nan 8.150 nan 0.000 0.447 1015 P HA -0.230 nan 4.420 nan 0.000 0.218 1015 P C 1.722 179.112 177.300 0.150 0.000 1.154 1015 P CA 1.897 65.189 63.100 0.319 0.000 0.872 1015 P CB -0.184 31.872 31.700 0.593 0.000 0.790 1016 M N -1.557 118.137 119.600 0.157 0.000 2.065 1016 M HA -0.170 4.312 4.480 0.002 0.000 0.259 1016 M C 1.993 178.346 176.300 0.088 0.000 1.069 1016 M CA 1.916 57.281 55.300 0.108 0.000 1.110 1016 M CB -0.821 31.850 32.600 0.119 0.000 1.328 1016 M HN -0.178 nan 8.290 nan 0.000 0.405 1017 I N -0.995 119.635 120.570 0.101 0.000 2.113 1017 I HA -0.233 3.939 4.170 0.002 0.000 0.238 1017 I C 2.398 178.560 176.117 0.075 0.000 1.070 1017 I CA 1.535 62.886 61.300 0.086 0.000 1.332 1017 I CB -1.134 36.921 38.000 0.093 0.000 1.044 1017 I HN 0.480 nan 8.210 nan 0.000 0.402 1018 G N 0.337 109.192 108.800 0.091 0.000 2.446 1018 G HA2 -0.237 3.724 3.960 0.002 0.000 0.217 1018 G HA3 -0.237 3.724 3.960 0.002 0.000 0.217 1018 G C 1.679 176.604 174.900 0.041 0.000 1.168 1018 G CA 0.900 46.050 45.100 0.084 0.000 0.771 1018 G HN 0.523 nan 8.290 nan 0.000 0.551 1019 G N 0.010 108.819 108.800 0.016 0.000 2.448 1019 G HA2 -0.121 3.841 3.960 0.002 0.000 0.219 1019 G HA3 -0.121 3.841 3.960 0.002 0.000 0.219 1019 G C 1.638 176.556 174.900 0.030 0.000 1.127 1019 G CA 1.103 46.196 45.100 -0.012 0.000 0.766 1019 G HN 0.385 nan 8.290 nan 0.000 0.552 1020 M N -0.274 119.356 119.600 0.049 0.000 2.595 1020 M HA 0.386 4.868 4.480 0.002 0.000 0.248 1020 M C 1.712 178.030 176.300 0.030 0.000 1.119 1020 M CA 0.163 55.504 55.300 0.068 0.000 1.079 1020 M CB 0.019 32.667 32.600 0.080 0.000 1.472 1020 M HN 0.162 nan 8.290 nan 0.000 0.501 1021 I N -1.440 119.139 120.570 0.015 0.000 3.265 1021 I HA -0.013 4.158 4.170 0.002 0.000 0.282 1021 I C 1.726 177.819 176.117 -0.040 0.000 1.207 1021 I CA 1.157 62.451 61.300 -0.009 0.000 1.449 1021 I CB 0.041 38.044 38.000 0.004 0.000 1.121 1021 I HN 0.135 nan 8.210 nan 0.000 0.442 1022 T N 0.034 114.568 114.554 -0.034 0.000 2.976 1022 T HA 0.144 4.496 4.350 0.002 0.000 0.257 1022 T C 1.950 176.600 174.700 -0.084 0.000 1.051 1022 T CA 0.916 62.978 62.100 -0.063 0.000 1.141 1022 T CB -0.092 68.754 68.868 -0.036 0.000 0.881 1022 T HN 0.329 nan 8.240 nan 0.000 0.461 1023 A N 2.444 125.252 122.820 -0.020 0.000 1.877 1023 A HA 0.002 4.323 4.320 0.002 0.000 0.216 1023 A C -0.023 177.517 177.584 -0.074 0.000 1.186 1023 A CA 1.274 53.331 52.037 0.033 0.000 0.620 1023 A CB -1.547 17.561 19.000 0.181 0.000 0.822 1023 A HN 0.359 nan 8.150 nan 0.000 0.443 1024 P HA -0.151 nan 4.420 nan 0.000 0.215 1024 P C 1.864 178.952 177.300 -0.353 0.000 1.157 1024 P CA 0.961 63.858 63.100 -0.340 0.000 0.863 1024 P CB -0.199 31.329 31.700 -0.286 0.000 0.787 1025 L N 0.046 121.073 121.223 -0.326 0.000 2.013 1025 L HA -0.163 4.178 4.340 0.002 0.000 0.212 1025 L C 2.190 178.707 176.870 -0.589 0.000 1.073 1025 L CA 1.785 56.339 54.840 -0.476 0.000 0.753 1025 L CB -0.950 40.939 42.059 -0.283 0.000 0.890 1025 L HN -0.084 nan 8.230 nan 0.000 0.432 1026 L N -1.424 119.554 121.223 -0.409 0.000 2.027 1026 L HA -0.126 4.216 4.340 0.002 0.000 0.206 1026 L C 2.400 179.079 176.870 -0.319 0.000 1.074 1026 L CA 2.355 56.911 54.840 -0.473 0.000 0.745 1026 L CB -1.735 39.921 42.059 -0.671 0.000 0.898 1026 L HN 0.289 nan 8.230 nan 0.000 0.433 1027 S N 1.105 116.682 115.700 -0.205 0.000 2.402 1027 S HA -0.160 4.312 4.470 0.002 0.000 0.233 1027 S C 2.152 176.682 174.600 -0.117 0.000 1.030 1027 S CA 1.798 59.946 58.200 -0.087 0.000 1.003 1027 S CB -0.509 62.647 63.200 -0.073 0.000 0.813 1027 S HN 0.488 nan 8.310 nan 0.000 0.477 1028 L N -0.559 120.489 121.223 -0.292 0.000 2.056 1028 L HA 0.013 4.354 4.340 0.002 0.000 0.207 1028 L C 1.353 178.249 176.870 0.043 0.000 1.078 1028 L CA 1.391 56.066 54.840 -0.275 0.000 0.749 1028 L CB -0.253 41.356 42.059 -0.751 0.000 0.901 1028 L HN 0.358 nan 8.230 nan 0.000 0.433 1029 F N -1.246 118.694 119.950 -0.016 0.000 2.654 1029 F HA 0.192 4.720 4.527 0.002 0.000 0.303 1029 F C 1.610 177.399 175.800 -0.018 0.000 1.099 1029 F CA -0.463 57.527 58.000 -0.018 0.000 1.270 1029 F CB 0.298 39.274 39.000 -0.039 0.000 1.024 1029 F HN 0.020 nan 8.300 nan 0.000 0.548 1030 I N -3.306 117.336 120.570 0.120 0.000 3.854 1030 I HA 0.072 4.244 4.170 0.002 0.000 0.312 1030 I C 1.752 177.975 176.117 0.176 0.000 1.273 1030 I CA 0.241 61.623 61.300 0.137 0.000 1.298 1030 I CB 0.005 38.087 38.000 0.137 0.000 1.071 1030 I HN -0.054 nan 8.210 nan 0.000 0.428 1031 I N 2.487 123.157 120.570 0.166 0.000 2.233 1031 I HA 0.011 4.182 4.170 0.002 0.000 0.243 1031 I C -0.100 176.136 176.117 0.199 0.000 1.093 1031 I CA 1.601 63.010 61.300 0.181 0.000 1.380 1031 I CB -2.059 36.022 38.000 0.135 0.000 1.067 1031 I HN 0.242 nan 8.210 nan 0.000 0.413 1032 P HA 0.097 nan 4.420 nan 0.000 0.211 1032 P C 1.686 179.073 177.300 0.145 0.000 1.183 1032 P CA 1.485 64.656 63.100 0.120 0.000 0.901 1032 P CB -0.034 31.716 31.700 0.084 0.000 0.762 1033 A N 0.806 123.700 122.820 0.123 0.000 1.859 1033 A HA -0.217 4.104 4.320 0.002 0.000 0.218 1033 A C 2.448 180.110 177.584 0.129 0.000 1.209 1033 A CA 3.060 55.158 52.037 0.103 0.000 0.639 1033 A CB -1.886 17.168 19.000 0.091 0.000 0.835 1033 A HN 0.199 nan 8.150 nan 0.000 0.450 1034 A N -2.319 120.590 122.820 0.149 0.000 2.032 1034 A HA -0.159 4.162 4.320 0.002 0.000 0.221 1034 A C 2.115 179.778 177.584 0.131 0.000 1.165 1034 A CA 1.825 53.943 52.037 0.134 0.000 0.645 1034 A CB -0.748 18.340 19.000 0.147 0.000 0.807 1034 A HN 0.727 nan 8.150 nan 0.000 0.453 1035 Y N 0.953 121.297 120.300 0.073 0.000 2.153 1035 Y HA -0.222 4.329 4.550 0.002 0.000 0.289 1035 Y C 2.577 178.527 175.900 0.083 0.000 1.127 1035 Y CA 2.229 60.374 58.100 0.074 0.000 1.131 1035 Y CB -0.091 38.404 38.460 0.060 0.000 0.995 1035 Y HN 0.451 nan 8.280 nan 0.000 0.505 1036 K N -0.559 120.018 120.400 0.295 0.000 2.147 1036 K HA -0.149 4.172 4.320 0.002 0.000 0.205 1036 K C 1.697 178.349 176.600 0.086 0.000 1.049 1036 K CA 1.406 57.801 56.287 0.180 0.000 0.936 1036 K CB -0.435 32.119 32.500 0.091 0.000 0.722 1036 K HN 0.276 nan 8.250 nan 0.000 0.446 1037 L N 0.823 122.090 121.223 0.073 0.000 2.093 1037 L HA -0.049 4.292 4.340 0.002 0.000 0.208 1037 L C 2.588 179.472 176.870 0.024 0.000 1.085 1037 L CA 1.373 56.232 54.840 0.030 0.000 0.755 1037 L CB -0.929 41.154 42.059 0.040 0.000 0.904 1037 L HN 0.371 nan 8.230 nan 0.000 0.435 1038 M N -1.562 118.060 119.600 0.036 0.000 2.159 1038 M HA -0.150 4.332 4.480 0.002 0.000 0.263 1038 M C 0.757 177.138 176.300 0.135 0.000 1.063 1038 M CA 1.404 56.718 55.300 0.024 0.000 1.110 1038 M CB -0.089 32.455 32.600 -0.094 0.000 1.374 1038 M HN 0.228 nan 8.290 nan 0.000 0.411 1039 W N 0.000 121.258 121.300 -0.070 0.000 2.388 1039 W HA 0.000 4.662 4.660 0.003 0.000 0.303 1039 W CA 0.000 57.313 57.345 -0.054 0.000 1.226 1039 W CB 0.000 29.441 29.460 -0.031 0.000 1.126 1039 W HN 0.000 nan 8.180 nan 0.000 0.535