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 1ii0_1_B DATA FIRST_RESID 1001 DATA SEQUENCE MQFLQNIPPY LFFTGKGGVG KTSISCATAI RLAEQGKRVL LVSTDPASNV DATA SEQUENCE GQVFSQTIGN TIQAIASVPG LSALEIDPQA AAQQYRARIV DPIKGVLPDD DATA SEQUENCE VVSSINEQLS GACTTEIAAF DEFTGLLTDA SLLTRFDHII FDTAPTGHTI DATA SEQUENCE RLLQLPGAWS SFIDSNPEGA SCLGPMAGLE KQREQYAYAV EALSDPKRTR DATA SEQUENCE LVLVARLQKS TLQEVARTHL ELAAIGLKNQ YLVINGVLPK TEAANDTLAA DATA SEQUENCE AIWEREQEAL ANLPADLAGL PTDTLFLQPV NMVGVSALSR LLSTQPXXXX DATA SEQUENCE XXXXXXQQRP DIPSLSALVD DIARNEHGLI MLMGKGGVGK TTMAAAIAVR DATA SEQUENCE LADMGFDVHL TTSDPAAXXX XXXXXXLNNL QVSRIDPHEE TERYRQHVLE DATA SEQUENCE TKGKELDEAG KRLLEEDLRS PCTEEIAVFQ AFSRVIREAG KRFVVMDTAP DATA SEQUENCE TGHTLLLLDA TXXXXXXXXX XXXXXXXXTT PMMLLQDPER TKVLLVTLPE DATA SEQUENCE TTPVLEAANL QADLERAGIH PWGWIINNSL SIADTRSPLL RMRAQQELPQ DATA SEQUENCE IESVKRQHAS RVALVPVLAS EPTGIDKLKQ LAGHHHHHH 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 1001 M HA 0.000 nan 4.480 nan 0.000 0.227 1001 M C 0.000 176.253 176.300 -0.078 0.000 1.140 1001 M CA 0.000 55.275 55.300 -0.042 0.000 0.988 1001 M CB 0.000 32.467 32.600 -0.222 0.000 1.302 1002 Q N 1.520 121.385 119.800 0.108 0.000 2.061 1002 Q HA -0.147 4.193 4.340 -0.000 0.000 0.204 1002 Q C 1.495 177.569 176.000 0.124 0.000 0.984 1002 Q CA 2.354 58.268 55.803 0.184 0.000 0.846 1002 Q CB -0.315 28.620 28.738 0.328 0.000 0.902 1002 Q HN 0.781 nan 8.270 nan 0.000 0.421 1003 F N -0.714 119.265 119.950 0.049 0.000 2.494 1003 F HA -0.077 4.450 4.527 -0.000 0.000 0.298 1003 F C 1.377 177.043 175.800 -0.223 0.000 1.106 1003 F CA 0.402 58.237 58.000 -0.275 0.000 1.452 1003 F CB -0.061 38.889 39.000 -0.083 0.000 1.085 1003 F HN -0.037 nan 8.300 nan 0.000 0.569 1004 L N 0.486 121.255 121.223 -0.757 0.000 2.509 1004 L HA 0.134 4.474 4.340 -0.000 0.000 0.222 1004 L C 0.748 177.437 176.870 -0.301 0.000 1.123 1004 L CA 0.473 54.948 54.840 -0.608 0.000 0.856 1004 L CB -0.854 40.825 42.059 -0.635 0.000 0.985 1004 L HN 0.231 nan 8.230 nan 0.000 0.456 1005 Q N -0.047 119.626 119.800 -0.211 0.000 2.243 1005 Q HA 0.187 4.527 4.340 -0.000 0.000 0.252 1005 Q C -0.148 175.803 176.000 -0.081 0.000 0.909 1005 Q CA -0.342 55.399 55.803 -0.104 0.000 0.922 1005 Q CB 0.383 29.102 28.738 -0.031 0.000 1.215 1005 Q HN 0.100 nan 8.270 nan 0.000 0.427 1006 N N 0.590 119.266 118.700 -0.040 0.000 2.727 1006 N HA -0.196 4.544 4.740 -0.000 0.000 0.249 1006 N C -0.876 174.627 175.510 -0.012 0.000 1.048 1006 N CA 0.366 53.415 53.050 -0.003 0.000 0.714 1006 N CB -1.319 37.181 38.487 0.023 0.000 0.959 1006 N HN 0.579 nan 8.380 nan 0.000 0.544 1007 I N 0.947 121.490 120.570 -0.045 0.000 2.618 1007 I HA 0.100 4.270 4.170 -0.000 0.000 0.284 1007 I C -1.136 175.044 176.117 0.106 0.000 1.146 1007 I CA -1.213 60.055 61.300 -0.054 0.000 1.425 1007 I CB 0.252 38.120 38.000 -0.219 0.000 1.383 1007 I HN 0.063 nan 8.210 nan 0.000 0.562 1008 P HA 0.202 nan 4.420 nan 0.000 0.289 1008 P C -2.185 175.170 177.300 0.091 0.000 1.299 1008 P CA -1.229 61.911 63.100 0.067 0.000 0.766 1008 P CB -0.149 31.578 31.700 0.044 0.000 1.226 1009 P HA -0.116 nan 4.420 nan 0.000 0.218 1009 P C -0.120 177.022 177.300 -0.263 0.000 1.148 1009 P CA 1.785 64.698 63.100 -0.313 0.000 0.822 1009 P CB -0.151 31.189 31.700 -0.600 0.000 0.784 1010 Y N -0.360 120.016 120.300 0.127 0.000 2.364 1010 Y HA 0.555 5.105 4.550 -0.000 0.000 0.340 1010 Y C 0.248 176.206 175.900 0.096 0.000 0.975 1010 Y CA -1.478 56.702 58.100 0.133 0.000 1.089 1010 Y CB 1.223 39.823 38.460 0.233 0.000 1.192 1010 Y HN -0.260 nan 8.280 nan 0.000 0.454 1011 L N 4.484 125.786 121.223 0.132 0.000 2.381 1011 L HA 0.685 5.025 4.340 -0.000 0.000 0.274 1011 L C -1.977 174.793 176.870 -0.167 0.000 0.988 1011 L CA -0.825 54.006 54.840 -0.014 0.000 0.824 1011 L CB 0.708 42.717 42.059 -0.084 0.000 1.263 1011 L HN 0.411 nan 8.230 nan 0.000 0.410 1012 F N 4.806 124.657 119.950 -0.165 0.000 2.482 1012 F HA 0.566 5.093 4.527 -0.000 0.000 0.331 1012 F C -0.599 175.008 175.800 -0.321 0.000 1.115 1012 F CA -0.266 57.645 58.000 -0.148 0.000 0.955 1012 F CB 1.606 40.472 39.000 -0.222 0.000 1.136 1012 F HN 0.227 nan 8.300 nan 0.000 0.452 1013 F N 1.243 121.293 119.950 0.168 0.000 2.436 1013 F HA 0.559 5.086 4.527 -0.000 0.000 0.340 1013 F C 0.363 176.224 175.800 0.101 0.000 1.113 1013 F CA -0.587 57.468 58.000 0.092 0.000 1.022 1013 F CB 2.071 41.097 39.000 0.044 0.000 1.128 1013 F HN 0.286 nan 8.300 nan 0.000 0.466 1014 T N 1.839 116.521 114.554 0.214 0.000 2.900 1014 T HA 0.851 5.201 4.350 -0.000 0.000 0.295 1014 T C -0.550 174.220 174.700 0.116 0.000 1.044 1014 T CA -0.382 61.807 62.100 0.149 0.000 0.995 1014 T CB 1.471 70.395 68.868 0.093 0.000 1.072 1014 T HN 1.041 nan 8.240 nan 0.000 0.473 1015 G N 2.584 111.440 108.800 0.094 0.000 2.340 1015 G HA2 0.369 4.329 3.960 -0.000 0.000 0.300 1015 G HA3 0.369 4.329 3.960 -0.000 0.000 0.300 1015 G C -1.249 173.683 174.900 0.054 0.000 1.488 1015 G CA -0.694 44.444 45.100 0.064 0.000 0.878 1015 G HN 0.924 nan 8.290 nan 0.000 0.618 1016 K N -0.220 120.201 120.400 0.035 0.000 2.397 1016 K HA 0.487 4.807 4.320 -0.000 0.000 0.265 1016 K C 0.823 177.439 176.600 0.027 0.000 0.982 1016 K CA 0.227 56.530 56.287 0.027 0.000 0.931 1016 K CB 0.450 32.958 32.500 0.014 0.000 0.943 1016 K HN 1.151 nan 8.250 nan 0.000 0.501 1017 G N 0.243 109.056 108.800 0.022 0.000 2.192 1017 G HA2 0.301 4.261 3.960 -0.000 0.000 0.258 1017 G HA3 0.301 4.261 3.960 -0.000 0.000 0.258 1017 G C 0.949 175.858 174.900 0.015 0.000 1.185 1017 G CA -0.041 45.071 45.100 0.020 0.000 0.976 1017 G HN 1.175 nan 8.290 nan 0.000 0.446 1018 G N 0.484 109.295 108.800 0.017 0.000 2.176 1018 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.232 1018 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.232 1018 G C 1.317 176.221 174.900 0.006 0.000 0.986 1018 G CA 0.595 45.702 45.100 0.012 0.000 0.643 1018 G HN 1.844 nan 8.290 nan 0.000 0.522 1019 V N -1.846 118.072 119.914 0.007 0.000 2.720 1019 V HA 0.429 4.549 4.120 -0.000 0.000 0.256 1019 V C 2.047 178.132 176.094 -0.014 0.000 1.082 1019 V CA 2.122 64.422 62.300 -0.000 0.000 1.101 1019 V CB -0.481 31.346 31.823 0.006 0.000 0.693 1019 V HN 2.256 nan 8.190 nan 0.000 0.479 1020 G N -0.606 108.183 108.800 -0.019 0.000 2.198 1020 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.156 1020 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.156 1020 G C 0.611 175.457 174.900 -0.090 0.000 1.012 1020 G CA 0.202 45.274 45.100 -0.047 0.000 0.692 1020 G HN 0.419 nan 8.290 nan 0.000 0.492 1021 K N 0.080 120.445 120.400 -0.058 0.000 2.015 1021 K HA -0.146 4.174 4.320 -0.000 0.000 0.216 1021 K C 2.555 179.047 176.600 -0.181 0.000 1.052 1021 K CA 2.228 58.462 56.287 -0.088 0.000 0.937 1021 K CB -0.424 32.108 32.500 0.054 0.000 0.719 1021 K HN 0.315 nan 8.250 nan 0.000 0.446 1022 T N 0.878 115.387 114.554 -0.075 0.000 2.720 1022 T HA -0.134 4.216 4.350 -0.000 0.000 0.268 1022 T C 2.137 176.781 174.700 -0.093 0.000 1.037 1022 T CA 1.645 63.709 62.100 -0.059 0.000 1.144 1022 T CB -0.237 68.632 68.868 0.000 0.000 0.864 1022 T HN 0.178 nan 8.240 nan 0.000 0.444 1023 S N 1.260 116.904 115.700 -0.094 0.000 2.353 1023 S HA -0.042 4.428 4.470 -0.000 0.000 0.222 1023 S C 2.067 176.586 174.600 -0.135 0.000 1.035 1023 S CA 1.136 59.285 58.200 -0.086 0.000 1.025 1023 S CB -0.485 62.675 63.200 -0.067 0.000 0.902 1023 S HN 0.441 nan 8.310 nan 0.000 0.440 1024 I N 1.451 121.874 120.570 -0.245 0.000 2.286 1024 I HA -0.168 4.002 4.170 -0.000 0.000 0.248 1024 I C 2.373 178.215 176.117 -0.459 0.000 1.115 1024 I CA 0.880 61.977 61.300 -0.339 0.000 1.392 1024 I CB -0.455 37.228 38.000 -0.529 0.000 1.065 1024 I HN 0.207 nan 8.210 nan 0.000 0.418 1025 S N -0.006 115.333 115.700 -0.602 0.000 2.368 1025 S HA -0.172 4.298 4.470 -0.000 0.000 0.225 1025 S C 2.163 176.715 174.600 -0.081 0.000 1.030 1025 S CA 1.362 59.327 58.200 -0.393 0.000 0.999 1025 S CB -0.378 62.686 63.200 -0.227 0.000 0.844 1025 S HN 0.493 nan 8.310 nan 0.000 0.459 1026 C N 1.572 120.867 119.300 -0.008 0.000 2.476 1026 C HA 0.116 4.576 4.460 -0.000 0.000 0.278 1026 C C 3.091 178.179 174.990 0.164 0.000 1.274 1026 C CA 0.368 59.497 59.018 0.184 0.000 1.713 1026 C CB -1.475 26.430 27.740 0.275 0.000 2.039 1026 C HN 0.670 nan 8.230 nan 0.000 0.484 1027 A N 0.431 123.287 122.820 0.060 0.000 1.883 1027 A HA -0.201 4.119 4.320 -0.000 0.000 0.217 1027 A C 2.186 179.809 177.584 0.065 0.000 1.186 1027 A CA 2.632 54.702 52.037 0.055 0.000 0.624 1027 A CB -1.222 17.798 19.000 0.032 0.000 0.822 1027 A HN 0.564 nan 8.150 nan 0.000 0.444 1028 T N 0.293 114.887 114.554 0.067 0.000 2.746 1028 T HA -0.031 4.319 4.350 -0.000 0.000 0.267 1028 T C 2.166 176.892 174.700 0.043 0.000 1.039 1028 T CA 1.566 63.717 62.100 0.084 0.000 1.142 1028 T CB -0.436 68.564 68.868 0.221 0.000 0.866 1028 T HN 0.609 nan 8.240 nan 0.000 0.444 1029 A N 0.773 123.623 122.820 0.050 0.000 1.972 1029 A HA 0.018 4.338 4.320 -0.000 0.000 0.219 1029 A C 2.226 179.833 177.584 0.040 0.000 1.169 1029 A CA 1.069 53.118 52.037 0.020 0.000 0.635 1029 A CB -0.644 18.343 19.000 -0.021 0.000 0.810 1029 A HN 0.551 nan 8.150 nan 0.000 0.446 1030 I N -1.487 119.136 120.570 0.089 0.000 2.277 1030 I HA -0.136 4.034 4.170 -0.000 0.000 0.243 1030 I C 2.568 178.717 176.117 0.053 0.000 1.094 1030 I CA 1.258 62.619 61.300 0.102 0.000 1.393 1030 I CB -0.233 37.854 38.000 0.144 0.000 1.078 1030 I HN 0.243 nan 8.210 nan 0.000 0.417 1031 R N 1.720 122.239 120.500 0.032 0.000 2.091 1031 R HA -0.144 4.196 4.340 -0.000 0.000 0.238 1031 R C 2.035 178.332 176.300 -0.006 0.000 1.136 1031 R CA 1.801 57.903 56.100 0.003 0.000 0.959 1031 R CB -0.754 29.532 30.300 -0.024 0.000 0.856 1031 R HN 0.315 nan 8.270 nan 0.000 0.437 1032 L N -0.615 120.601 121.223 -0.011 0.000 2.072 1032 L HA 0.021 4.361 4.340 -0.000 0.000 0.205 1032 L C 2.521 179.414 176.870 0.039 0.000 1.079 1032 L CA 1.173 56.011 54.840 -0.004 0.000 0.752 1032 L CB -0.720 41.316 42.059 -0.037 0.000 0.906 1032 L HN 0.303 nan 8.230 nan 0.000 0.436 1033 A N 0.174 123.020 122.820 0.043 0.000 1.908 1033 A HA -0.230 4.090 4.320 -0.000 0.000 0.218 1033 A C 2.124 179.732 177.584 0.040 0.000 1.181 1033 A CA 1.735 53.801 52.037 0.049 0.000 0.627 1033 A CB -0.463 18.564 19.000 0.045 0.000 0.818 1033 A HN 0.460 nan 8.150 nan 0.000 0.445 1034 E N -0.507 119.713 120.200 0.034 0.000 2.347 1034 E HA -0.133 4.217 4.350 -0.000 0.000 0.196 1034 E C 1.657 178.269 176.600 0.021 0.000 1.008 1034 E CA 0.680 57.096 56.400 0.027 0.000 0.852 1034 E CB -0.077 29.639 29.700 0.025 0.000 0.783 1034 E HN 0.714 nan 8.360 nan 0.000 0.505 1035 Q N -0.708 119.104 119.800 0.021 0.000 2.415 1035 Q HA 0.057 4.397 4.340 -0.000 0.000 0.206 1035 Q C 0.940 176.954 176.000 0.025 0.000 0.946 1035 Q CA 0.403 56.217 55.803 0.018 0.000 0.951 1035 Q CB 0.769 29.515 28.738 0.015 0.000 1.026 1035 Q HN 0.405 nan 8.270 nan 0.000 0.510 1036 G N 0.778 109.594 108.800 0.027 0.000 2.195 1036 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.246 1036 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.246 1036 G C 0.096 175.015 174.900 0.031 0.000 0.984 1036 G CA -0.274 44.840 45.100 0.024 0.000 0.633 1036 G HN 0.075 nan 8.290 nan 0.000 0.525 1037 K N 0.668 121.101 120.400 0.056 0.000 2.202 1037 K HA 0.439 4.759 4.320 -0.000 0.000 0.264 1037 K C 0.637 177.288 176.600 0.085 0.000 1.010 1037 K CA -0.295 56.040 56.287 0.081 0.000 0.940 1037 K CB 0.627 33.234 32.500 0.177 0.000 0.983 1037 K HN 0.408 nan 8.250 nan 0.000 0.475 1038 R N 0.872 121.422 120.500 0.082 0.000 2.207 1038 R HA 0.353 4.693 4.340 -0.000 0.000 0.334 1038 R C -0.492 175.963 176.300 0.259 0.000 1.013 1038 R CA -0.570 55.606 56.100 0.127 0.000 0.858 1038 R CB 0.880 31.196 30.300 0.027 0.000 1.094 1038 R HN 0.195 nan 8.270 nan 0.000 0.457 1039 V N 4.454 124.515 119.914 0.245 0.000 2.604 1039 V HA 0.376 4.496 4.120 -0.000 0.000 0.305 1039 V C -0.357 175.686 176.094 -0.084 0.000 1.043 1039 V CA -0.930 61.450 62.300 0.133 0.000 0.888 1039 V CB 2.247 34.104 31.823 0.057 0.000 0.995 1039 V HN 0.625 nan 8.190 nan 0.000 0.429 1040 L N 4.989 125.943 121.223 -0.449 0.000 2.298 1040 L HA 0.583 4.923 4.340 -0.000 0.000 0.284 1040 L C -1.003 175.578 176.870 -0.482 0.000 1.013 1040 L CA -0.710 53.665 54.840 -0.776 0.000 0.824 1040 L CB 1.424 42.616 42.059 -1.445 0.000 1.221 1040 L HN 0.639 nan 8.230 nan 0.000 0.418 1041 L N 6.202 127.197 121.223 -0.380 0.000 2.276 1041 L HA 0.386 4.726 4.340 -0.000 0.000 0.286 1041 L C -0.726 175.944 176.870 -0.333 0.000 1.061 1041 L CA -0.045 54.602 54.840 -0.321 0.000 0.807 1041 L CB 1.562 43.451 42.059 -0.284 0.000 1.177 1041 L HN 0.323 nan 8.230 nan 0.000 0.429 1042 V N 4.773 124.456 119.914 -0.386 0.000 2.294 1042 V HA 0.311 4.431 4.120 -0.000 0.000 0.272 1042 V C 0.390 176.412 176.094 -0.120 0.000 1.027 1042 V CA -0.403 61.702 62.300 -0.324 0.000 0.823 1042 V CB 0.880 32.339 31.823 -0.606 0.000 1.030 1042 V HN 0.861 nan 8.190 nan 0.000 0.457 1043 S N 3.589 119.251 115.700 -0.063 0.000 2.505 1043 S HA 0.239 4.709 4.470 -0.000 0.000 0.276 1043 S C 1.163 175.798 174.600 0.058 0.000 1.274 1043 S CA 0.238 58.444 58.200 0.009 0.000 1.053 1043 S CB 0.810 64.011 63.200 0.001 0.000 0.919 1043 S HN 0.988 nan 8.310 nan 0.000 0.490 1044 T N 0.737 115.358 114.554 0.112 0.000 3.040 1044 T HA 0.256 4.606 4.350 -0.000 0.000 0.266 1044 T C -0.157 174.595 174.700 0.088 0.000 1.005 1044 T CA -0.436 61.741 62.100 0.130 0.000 0.906 1044 T CB -0.122 68.904 68.868 0.262 0.000 1.082 1044 T HN 0.477 nan 8.240 nan 0.000 0.531 1045 D N 3.920 124.366 120.400 0.076 0.000 2.399 1045 D HA 0.179 4.819 4.640 -0.000 0.000 0.241 1045 D C -1.044 175.279 176.300 0.038 0.000 1.133 1045 D CA -1.918 52.117 54.000 0.058 0.000 0.890 1045 D CB 1.442 42.274 40.800 0.054 0.000 1.201 1045 D HN 0.120 nan 8.370 nan 0.000 0.432 1046 P HA -0.131 nan 4.420 nan 0.000 0.218 1046 P C 0.021 177.334 177.300 0.022 0.000 1.148 1046 P CA 1.087 64.198 63.100 0.018 0.000 0.822 1046 P CB 0.403 32.111 31.700 0.013 0.000 0.784 1047 A N -0.469 122.367 122.820 0.027 0.000 3.105 1047 A HA 0.344 4.664 4.320 -0.000 0.000 0.297 1047 A C 0.389 177.993 177.584 0.033 0.000 0.977 1047 A CA -0.374 51.681 52.037 0.030 0.000 1.020 1047 A CB -0.436 18.583 19.000 0.033 0.000 1.098 1047 A HN 0.071 nan 8.150 nan 0.000 0.497 1048 S N 0.571 116.290 115.700 0.033 0.000 2.715 1048 S HA -0.106 4.364 4.470 -0.000 0.000 0.318 1048 S C 1.093 175.716 174.600 0.039 0.000 1.242 1048 S CA 1.235 59.457 58.200 0.037 0.000 1.044 1048 S CB -0.136 63.084 63.200 0.034 0.000 0.760 1048 S HN 0.859 nan 8.310 nan 0.000 0.501 1049 N N 2.843 121.569 118.700 0.044 0.000 2.170 1049 N HA 0.132 4.872 4.740 -0.000 0.000 0.222 1049 N C 0.847 176.393 175.510 0.061 0.000 1.218 1049 N CA -0.195 52.881 53.050 0.043 0.000 0.889 1049 N CB 0.286 38.793 38.487 0.033 0.000 1.083 1049 N HN 0.317 nan 8.380 nan 0.000 0.520 1050 V N 0.657 120.622 119.914 0.084 0.000 2.343 1050 V HA -0.125 3.995 4.120 -0.000 0.000 0.247 1050 V C 2.562 178.783 176.094 0.212 0.000 1.051 1050 V CA 2.227 64.621 62.300 0.156 0.000 1.036 1050 V CB -1.132 30.769 31.823 0.129 0.000 0.654 1050 V HN 0.594 nan 8.190 nan 0.000 0.451 1051 G N -1.097 107.779 108.800 0.127 0.000 2.485 1051 G HA2 -0.340 3.620 3.960 -0.000 0.000 0.221 1051 G HA3 -0.340 3.620 3.960 -0.000 0.000 0.221 1051 G C 1.522 176.495 174.900 0.121 0.000 1.115 1051 G CA 1.083 46.254 45.100 0.119 0.000 0.751 1051 G HN 0.573 nan 8.290 nan 0.000 0.567 1052 Q N -0.033 119.817 119.800 0.084 0.000 2.020 1052 Q HA -0.059 4.281 4.340 -0.000 0.000 0.198 1052 Q C 2.668 178.672 176.000 0.006 0.000 0.974 1052 Q CA 1.434 57.261 55.803 0.040 0.000 0.829 1052 Q CB -0.254 28.495 28.738 0.018 0.000 0.894 1052 Q HN 0.258 nan 8.270 nan 0.000 0.433 1053 V N 0.691 120.588 119.914 -0.029 0.000 2.439 1053 V HA -0.248 3.872 4.120 -0.000 0.000 0.253 1053 V C 1.112 176.945 176.094 -0.436 0.000 1.074 1053 V CA 1.702 63.852 62.300 -0.250 0.000 1.076 1053 V CB -0.487 31.130 31.823 -0.344 0.000 0.664 1053 V HN 0.329 nan 8.190 nan 0.000 0.461 1054 F N -0.608 119.337 119.950 -0.007 0.000 2.850 1054 F HA 0.383 4.910 4.527 -0.000 0.000 0.306 1054 F C 1.189 176.987 175.800 -0.003 0.000 1.162 1054 F CA -0.443 57.554 58.000 -0.006 0.000 1.327 1054 F CB -0.394 38.601 39.000 -0.008 0.000 0.953 1054 F HN -0.123 nan 8.300 nan 0.000 0.507 1055 S N 2.156 117.913 115.700 0.096 0.000 3.244 1055 S HA -0.283 4.187 4.470 -0.000 0.000 0.291 1055 S C -0.003 174.645 174.600 0.080 0.000 0.833 1055 S CA 0.870 59.109 58.200 0.065 0.000 1.348 1055 S CB -1.061 62.161 63.200 0.036 0.000 0.910 1055 S HN 0.714 nan 8.310 nan 0.000 0.461 1056 Q N 0.418 120.271 119.800 0.088 0.000 2.507 1056 Q HA 0.201 4.541 4.340 -0.000 0.000 0.242 1056 Q C -0.398 175.636 176.000 0.056 0.000 0.911 1056 Q CA -0.423 55.419 55.803 0.066 0.000 1.019 1056 Q CB 1.096 29.875 28.738 0.069 0.000 1.523 1056 Q HN 0.467 nan 8.270 nan 0.000 0.459 1057 T N 2.119 116.695 114.554 0.037 0.000 2.793 1057 T HA 0.259 4.609 4.350 -0.000 0.000 0.289 1057 T C 0.698 175.410 174.700 0.021 0.000 0.956 1057 T CA -0.430 61.688 62.100 0.030 0.000 1.177 1057 T CB -0.029 68.852 68.868 0.023 0.000 0.897 1057 T HN 0.385 nan 8.240 nan 0.000 0.533 1058 I N 3.182 123.764 120.570 0.019 0.000 2.662 1058 I HA 0.604 4.774 4.170 -0.000 0.000 0.291 1058 I C 1.116 177.234 176.117 0.002 0.000 1.046 1058 I CA -0.108 61.192 61.300 0.000 0.000 1.361 1058 I CB 0.712 38.708 38.000 -0.006 0.000 1.429 1058 I HN 0.962 nan 8.210 nan 0.000 0.558 1059 G N 3.063 111.860 108.800 -0.006 0.000 2.921 1059 G HA2 0.287 4.247 3.960 -0.000 0.000 0.291 1059 G HA3 0.287 4.247 3.960 -0.000 0.000 0.291 1059 G C -0.058 174.840 174.900 -0.003 0.000 1.370 1059 G CA -0.615 44.485 45.100 -0.000 0.000 0.847 1059 G HN 0.629 nan 8.290 nan 0.000 0.532 1060 N N -1.161 117.541 118.700 0.003 0.000 2.485 1060 N HA 0.169 4.909 4.740 -0.000 0.000 0.199 1060 N C 0.257 175.770 175.510 0.006 0.000 1.236 1060 N CA 0.450 53.504 53.050 0.005 0.000 0.852 1060 N CB 0.735 39.229 38.487 0.011 0.000 1.018 1060 N HN 0.383 nan 8.380 nan 0.000 0.457 1061 T N -0.291 114.264 114.554 0.003 0.000 2.900 1061 T HA 0.412 4.762 4.350 -0.000 0.000 0.295 1061 T C -0.754 173.947 174.700 0.001 0.000 1.044 1061 T CA -0.915 61.190 62.100 0.008 0.000 0.995 1061 T CB 0.796 69.671 68.868 0.012 0.000 1.072 1061 T HN 0.103 nan 8.240 nan 0.000 0.473 1062 I N 4.515 125.092 120.570 0.013 0.000 2.494 1062 I HA 0.204 4.374 4.170 -0.000 0.000 0.289 1062 I C 0.382 176.517 176.117 0.030 0.000 1.106 1062 I CA 0.219 61.529 61.300 0.015 0.000 1.369 1062 I CB 0.400 38.438 38.000 0.063 0.000 1.410 1062 I HN 0.506 nan 8.210 nan 0.000 0.523 1063 Q N 5.236 125.041 119.800 0.008 0.000 2.356 1063 Q HA 0.649 4.989 4.340 -0.000 0.000 0.270 1063 Q C -0.653 175.352 176.000 0.008 0.000 1.058 1063 Q CA -0.935 54.876 55.803 0.013 0.000 0.802 1063 Q CB 2.620 31.359 28.738 0.001 0.000 1.303 1063 Q HN 0.750 nan 8.270 nan 0.000 0.444 1064 A N 2.879 125.715 122.820 0.025 0.000 2.401 1064 A HA 0.354 4.674 4.320 -0.000 0.000 0.259 1064 A C -0.165 177.414 177.584 -0.007 0.000 1.103 1064 A CA -0.304 51.746 52.037 0.022 0.000 0.789 1064 A CB 0.124 19.145 19.000 0.036 0.000 1.035 1064 A HN 0.735 nan 8.150 nan 0.000 0.491 1065 I N 2.986 123.534 120.570 -0.036 0.000 2.337 1065 I HA 0.128 4.298 4.170 -0.000 0.000 0.291 1065 I C 1.526 177.648 176.117 0.009 0.000 1.046 1065 I CA -0.190 61.087 61.300 -0.037 0.000 1.324 1065 I CB 1.345 39.267 38.000 -0.131 0.000 1.409 1065 I HN 0.879 nan 8.210 nan 0.000 0.494 1066 A N 5.016 127.852 122.820 0.027 0.000 1.851 1066 A HA -0.215 4.105 4.320 -0.000 0.000 0.216 1066 A C 2.364 179.979 177.584 0.052 0.000 1.195 1066 A CA 2.234 54.292 52.037 0.036 0.000 0.622 1066 A CB -0.885 18.135 19.000 0.033 0.000 0.831 1066 A HN 0.814 nan 8.150 nan 0.000 0.444 1067 S N -1.347 114.400 115.700 0.077 0.000 2.423 1067 S HA -0.071 4.399 4.470 -0.000 0.000 0.238 1067 S C 0.679 175.340 174.600 0.101 0.000 1.028 1067 S CA 1.259 59.516 58.200 0.094 0.000 1.000 1067 S CB -0.839 62.440 63.200 0.132 0.000 0.797 1067 S HN 1.239 nan 8.310 nan 0.000 0.487 1068 V N 3.369 123.344 119.914 0.103 0.000 2.445 1068 V HA 0.440 4.560 4.120 -0.000 0.000 0.283 1068 V C -2.800 173.324 176.094 0.050 0.000 1.014 1068 V CA -2.507 59.847 62.300 0.090 0.000 0.852 1068 V CB 1.884 33.794 31.823 0.145 0.000 1.021 1068 V HN 0.138 nan 8.190 nan 0.000 0.435 1069 P HA 0.307 nan 4.420 nan 0.000 0.267 1069 P C 0.814 178.132 177.300 0.031 0.000 1.209 1069 P CA 1.531 64.649 63.100 0.030 0.000 0.763 1069 P CB 1.145 32.859 31.700 0.025 0.000 0.816 1070 G N 1.581 110.400 108.800 0.032 0.000 2.195 1070 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.224 1070 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.224 1070 G C -0.518 174.421 174.900 0.064 0.000 0.990 1070 G CA -0.038 45.088 45.100 0.044 0.000 0.639 1070 G HN 0.631 nan 8.290 nan 0.000 0.514 1071 L N 1.774 123.017 121.223 0.034 0.000 2.329 1071 L HA 0.921 5.261 4.340 -0.000 0.000 0.279 1071 L C -0.157 176.700 176.870 -0.022 0.000 1.014 1071 L CA -0.626 54.208 54.840 -0.010 0.000 0.814 1071 L CB 2.154 44.161 42.059 -0.087 0.000 1.257 1071 L HN 0.098 nan 8.230 nan 0.000 0.424 1072 S N 2.534 118.208 115.700 -0.044 0.000 2.599 1072 S HA 0.986 5.456 4.470 -0.000 0.000 0.294 1072 S C -1.036 173.442 174.600 -0.204 0.000 1.094 1072 S CA -0.320 57.846 58.200 -0.057 0.000 0.931 1072 S CB 1.846 65.111 63.200 0.109 0.000 1.093 1072 S HN 0.972 nan 8.310 nan 0.000 0.488 1073 A N 1.096 123.806 122.820 -0.182 0.000 2.498 1073 A HA 0.904 5.224 4.320 -0.000 0.000 0.298 1073 A C -1.787 175.703 177.584 -0.156 0.000 1.075 1073 A CA -0.577 51.330 52.037 -0.215 0.000 0.714 1073 A CB 1.399 20.262 19.000 -0.227 0.000 1.299 1073 A HN 0.714 nan 8.150 nan 0.000 0.407 1074 L N 0.184 121.311 121.223 -0.159 0.000 2.445 1074 L HA 0.662 5.002 4.340 -0.000 0.000 0.262 1074 L C -0.705 176.117 176.870 -0.079 0.000 0.974 1074 L CA -0.083 54.693 54.840 -0.108 0.000 0.822 1074 L CB 2.133 44.117 42.059 -0.126 0.000 1.339 1074 L HN 0.814 nan 8.230 nan 0.000 0.409 1075 E N 4.584 124.760 120.200 -0.040 0.000 2.145 1075 E HA 0.446 4.796 4.350 -0.000 0.000 0.270 1075 E C -1.451 175.147 176.600 -0.003 0.000 0.906 1075 E CA -0.710 55.680 56.400 -0.017 0.000 0.761 1075 E CB 1.188 30.884 29.700 -0.006 0.000 1.116 1075 E HN 0.540 nan 8.360 nan 0.000 0.408 1076 I N 4.420 124.995 120.570 0.009 0.000 2.390 1076 I HA 0.144 4.314 4.170 -0.000 0.000 0.283 1076 I C -0.340 175.775 176.117 -0.004 0.000 1.016 1076 I CA -0.765 60.539 61.300 0.005 0.000 1.151 1076 I CB 1.008 39.017 38.000 0.015 0.000 1.293 1076 I HN 0.543 nan 8.210 nan 0.000 0.458 1077 D N 9.930 130.327 120.400 -0.005 0.000 2.352 1077 D HA 0.211 4.851 4.640 -0.000 0.000 0.245 1077 D C -1.287 174.997 176.300 -0.026 0.000 1.224 1077 D CA -1.949 52.047 54.000 -0.007 0.000 0.879 1077 D CB 1.667 42.469 40.800 0.003 0.000 1.057 1077 D HN 0.242 nan 8.370 nan 0.000 0.491 1078 P HA -0.195 nan 4.420 nan 0.000 0.217 1078 P C 1.341 178.604 177.300 -0.061 0.000 1.150 1078 P CA 0.961 64.017 63.100 -0.073 0.000 0.832 1078 P CB 0.459 32.116 31.700 -0.071 0.000 0.787 1079 Q N 0.137 119.915 119.800 -0.037 0.000 2.046 1079 Q HA -0.125 4.215 4.340 -0.000 0.000 0.200 1079 Q C 2.267 178.258 176.000 -0.016 0.000 0.975 1079 Q CA 1.822 57.606 55.803 -0.030 0.000 0.836 1079 Q CB -0.571 28.157 28.738 -0.016 0.000 0.896 1079 Q HN 0.114 nan 8.270 nan 0.000 0.428 1080 A N 0.843 123.661 122.820 -0.003 0.000 1.940 1080 A HA -0.153 4.167 4.320 -0.000 0.000 0.219 1080 A C 2.260 179.860 177.584 0.026 0.000 1.176 1080 A CA 1.755 53.800 52.037 0.013 0.000 0.631 1080 A CB -0.894 18.115 19.000 0.015 0.000 0.814 1080 A HN 0.563 nan 8.150 nan 0.000 0.446 1081 A N -0.062 122.766 122.820 0.012 0.000 1.877 1081 A HA 0.128 4.448 4.320 -0.000 0.000 0.216 1081 A C 2.539 180.156 177.584 0.056 0.000 1.186 1081 A CA 2.245 54.306 52.037 0.039 0.000 0.620 1081 A CB -1.127 17.866 19.000 -0.012 0.000 0.822 1081 A HN 1.117 nan 8.150 nan 0.000 0.443 1082 A N -1.139 121.654 122.820 -0.045 0.000 1.933 1082 A HA -0.231 4.089 4.320 -0.000 0.000 0.218 1082 A C 2.141 179.753 177.584 0.046 0.000 1.175 1082 A CA 1.784 53.772 52.037 -0.080 0.000 0.628 1082 A CB -0.603 18.324 19.000 -0.122 0.000 0.814 1082 A HN 0.650 nan 8.150 nan 0.000 0.444 1083 Q N -1.291 118.533 119.800 0.039 0.000 2.096 1083 Q HA -0.231 4.109 4.340 -0.000 0.000 0.204 1083 Q C 2.307 178.359 176.000 0.086 0.000 0.982 1083 Q CA 1.612 57.446 55.803 0.052 0.000 0.850 1083 Q CB -0.094 28.665 28.738 0.035 0.000 0.901 1083 Q HN 0.585 nan 8.270 nan 0.000 0.422 1084 Q N -0.906 118.963 119.800 0.116 0.000 2.123 1084 Q HA -0.137 4.203 4.340 -0.000 0.000 0.199 1084 Q C 1.684 177.773 176.000 0.148 0.000 0.966 1084 Q CA 1.160 57.033 55.803 0.117 0.000 0.845 1084 Q CB -0.187 28.619 28.738 0.113 0.000 0.907 1084 Q HN 0.476 nan 8.270 nan 0.000 0.439 1085 Y N 0.761 121.069 120.300 0.014 0.000 2.097 1085 Y HA -0.234 4.316 4.550 -0.000 0.000 0.282 1085 Y C 2.666 178.575 175.900 0.014 0.000 1.152 1085 Y CA 1.793 59.903 58.100 0.016 0.000 1.136 1085 Y CB -0.226 38.239 38.460 0.008 0.000 0.975 1085 Y HN 0.050 nan 8.280 nan 0.000 0.498 1086 R N -0.303 120.312 120.500 0.190 0.000 2.080 1086 R HA -0.202 4.138 4.340 -0.000 0.000 0.236 1086 R C 2.435 178.776 176.300 0.068 0.000 1.137 1086 R CA 1.555 57.718 56.100 0.105 0.000 0.943 1086 R CB -0.633 29.713 30.300 0.076 0.000 0.846 1086 R HN 0.344 nan 8.270 nan 0.000 0.431 1087 A N 0.459 123.316 122.820 0.061 0.000 1.902 1087 A HA -0.202 4.118 4.320 -0.000 0.000 0.217 1087 A C 2.153 179.752 177.584 0.025 0.000 1.181 1087 A CA 1.588 53.648 52.037 0.039 0.000 0.623 1087 A CB -0.571 18.452 19.000 0.037 0.000 0.818 1087 A HN 0.342 nan 8.150 nan 0.000 0.443 1088 R N -0.444 120.067 120.500 0.017 0.000 2.081 1088 R HA -0.066 4.274 4.340 -0.000 0.000 0.235 1088 R C 1.867 178.161 176.300 -0.009 0.000 1.131 1088 R CA 1.864 57.958 56.100 -0.010 0.000 0.960 1088 R CB -0.291 29.978 30.300 -0.052 0.000 0.856 1088 R HN 0.594 nan 8.270 nan 0.000 0.436 1089 I N -0.421 120.151 120.570 0.002 0.000 2.585 1089 I HA -0.130 4.040 4.170 -0.000 0.000 0.254 1089 I C 1.947 178.078 176.117 0.022 0.000 1.129 1089 I CA 0.454 61.760 61.300 0.011 0.000 1.455 1089 I CB 0.177 38.194 38.000 0.028 0.000 1.111 1089 I HN -0.005 nan 8.210 nan 0.000 0.433 1090 V N 0.370 120.303 119.914 0.031 0.000 2.725 1090 V HA -0.136 3.984 4.120 -0.000 0.000 0.247 1090 V C 1.914 178.022 176.094 0.023 0.000 1.058 1090 V CA 1.324 63.643 62.300 0.031 0.000 1.080 1090 V CB -0.535 31.311 31.823 0.038 0.000 0.713 1090 V HN 0.298 nan 8.190 nan 0.000 0.465 1091 D N 0.403 120.815 120.400 0.021 0.000 2.104 1091 D HA -0.121 4.519 4.640 -0.000 0.000 0.194 1091 D C -0.150 176.157 176.300 0.012 0.000 0.994 1091 D CA 1.633 55.643 54.000 0.017 0.000 0.830 1091 D CB -1.614 39.195 40.800 0.015 0.000 0.959 1091 D HN 0.362 nan 8.370 nan 0.000 0.452 1092 P HA -0.084 nan 4.420 nan 0.000 0.219 1092 P C 1.502 178.806 177.300 0.007 0.000 1.146 1092 P CA 0.929 64.032 63.100 0.005 0.000 0.808 1092 P CB -0.149 31.551 31.700 0.000 0.000 0.779 1093 I N -5.843 114.733 120.570 0.010 0.000 4.018 1093 I HA 0.218 4.388 4.170 -0.000 0.000 0.337 1093 I C 0.252 176.377 176.117 0.014 0.000 1.327 1093 I CA -0.356 60.951 61.300 0.012 0.000 1.100 1093 I CB -0.180 37.828 38.000 0.014 0.000 1.025 1093 I HN -0.315 nan 8.210 nan 0.000 0.396 1094 K N 2.763 123.172 120.400 0.015 0.000 2.416 1094 K HA 0.253 4.573 4.320 -0.000 0.000 0.283 1094 K C 1.151 177.759 176.600 0.013 0.000 1.037 1094 K CA 0.875 57.172 56.287 0.016 0.000 0.995 1094 K CB 0.580 33.089 32.500 0.017 0.000 0.938 1094 K HN 0.508 nan 8.250 nan 0.000 0.475 1095 G N 1.601 110.410 108.800 0.014 0.000 2.168 1095 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.263 1095 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.263 1095 G C 0.625 175.531 174.900 0.010 0.000 0.977 1095 G CA 0.468 45.575 45.100 0.012 0.000 0.659 1095 G HN 0.457 nan 8.290 nan 0.000 0.533 1096 V N -0.189 119.731 119.914 0.011 0.000 2.806 1096 V HA 0.419 4.539 4.120 -0.000 0.000 0.239 1096 V C 1.613 177.713 176.094 0.010 0.000 1.113 1096 V CA 1.084 63.390 62.300 0.009 0.000 1.137 1096 V CB 0.033 31.860 31.823 0.007 0.000 0.865 1096 V HN 0.310 nan 8.190 nan 0.000 0.482 1097 L N 0.410 121.641 121.223 0.012 0.000 2.387 1097 L HA 0.444 4.784 4.340 -0.000 0.000 0.266 1097 L C -2.334 174.545 176.870 0.015 0.000 1.059 1097 L CA -1.820 53.028 54.840 0.013 0.000 0.801 1097 L CB 0.701 42.770 42.059 0.016 0.000 1.223 1097 L HN 0.064 nan 8.230 nan 0.000 0.456 1098 P HA -0.028 nan 4.420 nan 0.000 0.266 1098 P C -0.171 177.139 177.300 0.018 0.000 1.193 1098 P CA -0.047 63.062 63.100 0.015 0.000 0.770 1098 P CB 0.499 32.208 31.700 0.015 0.000 0.836 1099 D N 1.678 122.089 120.400 0.017 0.000 2.106 1099 D HA -0.202 4.438 4.640 -0.000 0.000 0.191 1099 D C 1.402 177.714 176.300 0.021 0.000 0.997 1099 D CA 1.614 55.626 54.000 0.019 0.000 0.834 1099 D CB -0.502 40.310 40.800 0.019 0.000 0.956 1099 D HN 0.583 nan 8.370 nan 0.000 0.448 1100 D N 0.924 121.337 120.400 0.020 0.000 2.182 1100 D HA -0.127 4.513 4.640 -0.000 0.000 0.201 1100 D C 2.100 178.414 176.300 0.024 0.000 0.986 1100 D CA 0.706 54.719 54.000 0.022 0.000 0.847 1100 D CB -0.489 40.322 40.800 0.020 0.000 0.942 1100 D HN 0.165 nan 8.370 nan 0.000 0.467 1101 V N 0.824 120.752 119.914 0.023 0.000 2.379 1101 V HA -0.164 3.956 4.120 -0.000 0.000 0.245 1101 V C 2.928 179.040 176.094 0.029 0.000 1.044 1101 V CA 0.949 63.264 62.300 0.026 0.000 1.036 1101 V CB -0.258 31.579 31.823 0.024 0.000 0.664 1101 V HN 0.097 nan 8.190 nan 0.000 0.453 1102 V N -0.205 119.725 119.914 0.028 0.000 2.515 1102 V HA -0.212 3.908 4.120 -0.000 0.000 0.250 1102 V C 2.663 178.777 176.094 0.033 0.000 1.058 1102 V CA 2.181 64.499 62.300 0.030 0.000 1.064 1102 V CB -0.400 31.438 31.823 0.026 0.000 0.675 1102 V HN 0.611 nan 8.190 nan 0.000 0.461 1103 S N 0.552 116.271 115.700 0.032 0.000 2.355 1103 S HA -0.190 4.280 4.470 -0.000 0.000 0.222 1103 S C 2.341 176.965 174.600 0.039 0.000 1.031 1103 S CA 2.059 60.280 58.200 0.034 0.000 0.993 1103 S CB -0.354 62.864 63.200 0.030 0.000 0.859 1103 S HN 0.774 nan 8.310 nan 0.000 0.453 1104 S N 0.751 116.473 115.700 0.036 0.000 2.423 1104 S HA 0.067 4.537 4.470 -0.000 0.000 0.231 1104 S C 1.861 176.490 174.600 0.049 0.000 1.014 1104 S CA 0.928 59.151 58.200 0.039 0.000 0.965 1104 S CB -0.664 62.555 63.200 0.031 0.000 0.785 1104 S HN 0.612 nan 8.310 nan 0.000 0.495 1105 I N 2.215 122.815 120.570 0.050 0.000 2.353 1105 I HA -0.109 4.061 4.170 -0.000 0.000 0.248 1105 I C 2.867 179.022 176.117 0.063 0.000 1.119 1105 I CA 1.110 62.445 61.300 0.058 0.000 1.417 1105 I CB -0.460 37.573 38.000 0.055 0.000 1.078 1105 I HN 0.500 nan 8.210 nan 0.000 0.421 1106 N N 1.017 119.751 118.700 0.057 0.000 2.244 1106 N HA -0.236 4.504 4.740 -0.000 0.000 0.183 1106 N C 1.830 177.381 175.510 0.068 0.000 1.016 1106 N CA 1.207 54.291 53.050 0.057 0.000 0.866 1106 N CB 0.171 38.687 38.487 0.047 0.000 0.980 1106 N HN 0.224 nan 8.380 nan 0.000 0.430 1107 E N 1.225 121.473 120.200 0.080 0.000 2.150 1107 E HA -0.101 4.249 4.350 -0.000 0.000 0.193 1107 E C 1.755 178.468 176.600 0.189 0.000 0.985 1107 E CA 1.222 57.696 56.400 0.124 0.000 0.814 1107 E CB -0.224 29.534 29.700 0.098 0.000 0.752 1107 E HN 0.408 nan 8.360 nan 0.000 0.466 1108 Q N -0.699 119.184 119.800 0.138 0.000 2.439 1108 Q HA -0.022 4.318 4.340 -0.000 0.000 0.211 1108 Q C 0.747 176.813 176.000 0.110 0.000 0.978 1108 Q CA 0.672 56.564 55.803 0.149 0.000 0.897 1108 Q CB 0.127 28.920 28.738 0.092 0.000 0.956 1108 Q HN 0.315 nan 8.270 nan 0.000 0.483 1109 L N -0.733 120.531 121.223 0.069 0.000 3.110 1109 L HA 0.195 4.535 4.340 -0.000 0.000 0.266 1109 L C 0.493 177.335 176.870 -0.046 0.000 1.257 1109 L CA -0.060 54.793 54.840 0.022 0.000 1.038 1109 L CB 0.884 42.985 42.059 0.069 0.000 1.395 1109 L HN -0.089 nan 8.230 nan 0.000 0.566 1110 S N -0.483 115.151 115.700 -0.111 0.000 2.650 1110 S HA 0.288 4.758 4.470 -0.000 0.000 0.240 1110 S C 0.814 175.129 174.600 -0.474 0.000 1.007 1110 S CA -0.197 57.896 58.200 -0.179 0.000 0.984 1110 S CB 0.954 64.131 63.200 -0.037 0.000 0.910 1110 S HN 0.432 nan 8.310 nan 0.000 0.509 1111 G N 0.432 108.768 108.800 -0.774 0.000 2.511 1111 G HA2 0.602 4.562 3.960 -0.000 0.000 0.316 1111 G HA3 0.602 4.562 3.960 -0.000 0.000 0.316 1111 G C 0.955 175.650 174.900 -0.343 0.000 1.210 1111 G CA -0.146 44.406 45.100 -0.913 0.000 0.969 1111 G HN 0.207 nan 8.290 nan 0.000 0.492 1112 A N -0.898 121.801 122.820 -0.201 0.000 1.940 1112 A HA -0.125 4.195 4.320 -0.000 0.000 0.219 1112 A C 2.486 180.018 177.584 -0.085 0.000 1.176 1112 A CA 2.126 54.102 52.037 -0.102 0.000 0.631 1112 A CB -0.948 18.024 19.000 -0.046 0.000 0.814 1112 A HN 0.603 nan 8.150 nan 0.000 0.446 1113 C N -1.331 117.927 119.300 -0.070 0.000 2.429 1113 C HA -0.089 4.371 4.460 -0.000 0.000 0.277 1113 C C 3.047 177.969 174.990 -0.114 0.000 1.262 1113 C CA 1.597 60.588 59.018 -0.046 0.000 1.733 1113 C CB -1.488 26.258 27.740 0.009 0.000 2.010 1113 C HN 0.658 nan 8.230 nan 0.000 0.483 1114 T N 0.317 114.780 114.554 -0.151 0.000 2.746 1114 T HA -0.157 4.193 4.350 -0.000 0.000 0.267 1114 T C 1.787 176.321 174.700 -0.276 0.000 1.039 1114 T CA 2.125 64.097 62.100 -0.214 0.000 1.142 1114 T CB -0.440 68.318 68.868 -0.182 0.000 0.866 1114 T HN 0.603 nan 8.240 nan 0.000 0.444 1115 T N 1.992 116.427 114.554 -0.198 0.000 2.746 1115 T HA -0.084 4.266 4.350 -0.000 0.000 0.267 1115 T C 1.990 176.601 174.700 -0.149 0.000 1.039 1115 T CA 0.917 62.915 62.100 -0.171 0.000 1.142 1115 T CB -0.185 68.615 68.868 -0.113 0.000 0.866 1115 T HN 0.326 nan 8.240 nan 0.000 0.444 1116 E N 0.922 121.059 120.200 -0.105 0.000 2.077 1116 E HA -0.049 4.301 4.350 -0.000 0.000 0.193 1116 E C 2.332 178.892 176.600 -0.067 0.000 0.989 1116 E CA 0.702 57.072 56.400 -0.049 0.000 0.800 1116 E CB -0.337 29.355 29.700 -0.014 0.000 0.746 1116 E HN 0.378 nan 8.360 nan 0.000 0.452 1117 I N 1.081 121.561 120.570 -0.150 0.000 2.226 1117 I HA -0.206 3.964 4.170 -0.000 0.000 0.245 1117 I C 2.382 178.394 176.117 -0.176 0.000 1.100 1117 I CA 1.083 62.284 61.300 -0.164 0.000 1.374 1117 I CB -1.368 36.495 38.000 -0.228 0.000 1.057 1117 I HN -0.047 nan 8.210 nan 0.000 0.413 1118 A N 0.843 123.424 122.820 -0.399 0.000 1.902 1118 A HA -0.124 4.196 4.320 -0.000 0.000 0.217 1118 A C 2.567 180.058 177.584 -0.155 0.000 1.181 1118 A CA 1.996 53.790 52.037 -0.405 0.000 0.623 1118 A CB -0.711 17.999 19.000 -0.483 0.000 0.818 1118 A HN 0.423 nan 8.150 nan 0.000 0.443 1119 A N -1.405 121.303 122.820 -0.187 0.000 1.898 1119 A HA -0.022 4.298 4.320 -0.000 0.000 0.216 1119 A C 2.036 179.388 177.584 -0.387 0.000 1.181 1119 A CA 1.470 53.302 52.037 -0.341 0.000 0.620 1119 A CB -0.717 18.073 19.000 -0.351 0.000 0.819 1119 A HN 0.632 nan 8.150 nan 0.000 0.442 1120 F N 0.933 120.775 119.950 -0.180 0.000 2.216 1120 F HA -0.180 4.347 4.527 -0.000 0.000 0.300 1120 F C 1.884 177.758 175.800 0.123 0.000 1.085 1120 F CA 1.852 59.886 58.000 0.056 0.000 1.326 1120 F CB -0.036 39.009 39.000 0.076 0.000 1.027 1120 F HN 0.285 nan 8.300 nan 0.000 0.497 1121 D N 0.199 120.768 120.400 0.281 0.000 2.117 1121 D HA -0.161 4.479 4.640 -0.000 0.000 0.197 1121 D C 2.070 178.458 176.300 0.147 0.000 0.987 1121 D CA 1.167 55.379 54.000 0.353 0.000 0.829 1121 D CB -0.045 40.983 40.800 0.381 0.000 0.961 1121 D HN 0.307 nan 8.370 nan 0.000 0.460 1122 E N -0.280 119.918 120.200 -0.005 0.000 2.047 1122 E HA -0.125 4.225 4.350 -0.000 0.000 0.191 1122 E C 2.246 178.853 176.600 0.011 0.000 0.987 1122 E CA 0.442 56.818 56.400 -0.040 0.000 0.799 1122 E CB -0.528 29.084 29.700 -0.148 0.000 0.752 1122 E HN 0.354 nan 8.360 nan 0.000 0.449 1123 F N 1.675 121.587 119.950 -0.063 0.000 2.126 1123 F HA -0.172 4.355 4.527 -0.000 0.000 0.299 1123 F C 2.635 178.278 175.800 -0.261 0.000 1.096 1123 F CA 1.192 59.076 58.000 -0.192 0.000 1.255 1123 F CB -1.408 37.332 39.000 -0.434 0.000 0.997 1123 F HN -0.012 nan 8.300 nan 0.000 0.479 1124 T N -0.297 114.176 114.554 -0.134 0.000 2.665 1124 T HA -0.193 4.157 4.350 -0.000 0.000 0.268 1124 T C 2.366 177.036 174.700 -0.049 0.000 1.035 1124 T CA 1.680 63.699 62.100 -0.136 0.000 1.151 1124 T CB -1.117 67.759 68.868 0.013 0.000 0.862 1124 T HN 0.435 nan 8.240 nan 0.000 0.438 1125 G N 1.168 109.976 108.800 0.013 0.000 2.440 1125 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.218 1125 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.218 1125 G C 1.417 176.349 174.900 0.054 0.000 1.154 1125 G CA 0.570 45.690 45.100 0.033 0.000 0.767 1125 G HN 0.323 nan 8.290 nan 0.000 0.552 1126 L N 0.203 121.482 121.223 0.093 0.000 2.072 1126 L HA 0.198 4.538 4.340 -0.000 0.000 0.205 1126 L C 2.832 179.747 176.870 0.075 0.000 1.079 1126 L CA 0.979 55.905 54.840 0.143 0.000 0.752 1126 L CB -0.868 41.373 42.059 0.304 0.000 0.906 1126 L HN 0.178 nan 8.230 nan 0.000 0.436 1127 L N -0.947 120.231 121.223 -0.076 0.000 2.362 1127 L HA -0.135 4.205 4.340 -0.000 0.000 0.219 1127 L C 1.977 178.720 176.870 -0.211 0.000 1.134 1127 L CA 1.399 56.044 54.840 -0.325 0.000 0.807 1127 L CB -0.648 41.141 42.059 -0.450 0.000 0.927 1127 L HN 0.434 nan 8.230 nan 0.000 0.447 1128 T N -5.713 108.790 114.554 -0.085 0.000 3.040 1128 T HA 0.006 4.356 4.350 -0.000 0.000 0.250 1128 T C 0.692 175.476 174.700 0.139 0.000 1.058 1128 T CA -0.364 61.740 62.100 0.006 0.000 0.988 1128 T CB -0.030 68.893 68.868 0.092 0.000 0.993 1128 T HN 0.051 nan 8.240 nan 0.000 0.519 1129 D N 1.507 121.977 120.400 0.117 0.000 2.393 1129 D HA 0.456 5.096 4.640 -0.000 0.000 0.232 1129 D C 1.227 177.622 176.300 0.158 0.000 1.192 1129 D CA -0.060 54.019 54.000 0.130 0.000 0.882 1129 D CB 1.410 42.279 40.800 0.114 0.000 1.038 1129 D HN 0.268 nan 8.370 nan 0.000 0.499 1130 A N 3.095 126.008 122.820 0.154 0.000 1.969 1130 A HA -0.163 4.157 4.320 -0.000 0.000 0.218 1130 A C 2.182 179.828 177.584 0.102 0.000 1.169 1130 A CA 1.558 53.680 52.037 0.142 0.000 0.635 1130 A CB -0.372 18.710 19.000 0.137 0.000 0.810 1130 A HN 0.629 nan 8.150 nan 0.000 0.445 1131 S N -0.311 115.440 115.700 0.086 0.000 2.419 1131 S HA -0.141 4.329 4.470 -0.000 0.000 0.233 1131 S C 1.730 176.372 174.600 0.070 0.000 1.016 1131 S CA 1.371 59.606 58.200 0.058 0.000 0.974 1131 S CB -0.543 62.685 63.200 0.047 0.000 0.786 1131 S HN 0.314 nan 8.310 nan 0.000 0.492 1132 L N 1.249 122.546 121.223 0.125 0.000 2.131 1132 L HA 0.184 4.524 4.340 -0.000 0.000 0.210 1132 L C 2.105 179.091 176.870 0.193 0.000 1.092 1132 L CA 1.427 56.387 54.840 0.201 0.000 0.759 1132 L CB -0.620 41.583 42.059 0.239 0.000 0.903 1132 L HN 0.381 nan 8.230 nan 0.000 0.435 1133 L N -1.761 119.532 121.223 0.117 0.000 2.552 1133 L HA -0.085 4.255 4.340 -0.000 0.000 0.227 1133 L C 1.897 178.761 176.870 -0.011 0.000 1.146 1133 L CA 0.581 55.445 54.840 0.041 0.000 0.858 1133 L CB -0.608 41.452 42.059 0.001 0.000 0.969 1133 L HN 0.200 nan 8.230 nan 0.000 0.451 1134 T N -1.428 113.117 114.554 -0.015 0.000 3.035 1134 T HA -0.000 4.350 4.350 -0.000 0.000 0.259 1134 T C 2.055 176.677 174.700 -0.130 0.000 1.078 1134 T CA 0.571 62.636 62.100 -0.057 0.000 1.132 1134 T CB 0.141 68.986 68.868 -0.039 0.000 0.900 1134 T HN 0.074 nan 8.240 nan 0.000 0.480 1135 R N -0.317 120.065 120.500 -0.197 0.000 2.175 1135 R HA 0.299 4.639 4.340 -0.000 0.000 0.202 1135 R C -0.400 175.459 176.300 -0.734 0.000 1.018 1135 R CA 0.367 56.163 56.100 -0.506 0.000 1.029 1135 R CB 0.117 29.991 30.300 -0.709 0.000 0.959 1135 R HN 0.335 nan 8.270 nan 0.000 0.480 1136 F N -0.221 119.693 119.950 -0.060 0.000 2.563 1136 F HA 0.293 4.820 4.527 -0.000 0.000 0.316 1136 F C 1.091 176.801 175.800 -0.150 0.000 1.076 1136 F CA -0.992 56.959 58.000 -0.082 0.000 0.921 1136 F CB 1.628 40.591 39.000 -0.062 0.000 1.209 1136 F HN -0.229 nan 8.300 nan 0.000 0.462 1137 D N -0.247 120.146 120.400 -0.012 0.000 2.194 1137 D HA -0.004 4.636 4.640 -0.000 0.000 0.204 1137 D C -0.110 175.813 176.300 -0.628 0.000 0.964 1137 D CA 1.352 55.154 54.000 -0.330 0.000 0.846 1137 D CB 0.049 40.641 40.800 -0.346 0.000 0.962 1137 D HN 0.559 nan 8.370 nan 0.000 0.490 1138 H N -1.435 117.652 119.070 0.028 0.000 2.954 1138 H HA 0.455 5.011 4.556 -0.000 0.000 0.361 1138 H C -1.064 174.215 175.328 -0.082 0.000 1.122 1138 H CA -0.679 55.346 56.048 -0.038 0.000 1.217 1138 H CB 1.716 31.456 29.762 -0.036 0.000 1.776 1138 H HN -0.237 nan 8.280 nan 0.000 0.533 1139 I N 3.457 124.047 120.570 0.033 0.000 2.382 1139 I HA 0.286 4.456 4.170 -0.000 0.000 0.286 1139 I C -0.591 175.405 176.117 -0.202 0.000 1.002 1139 I CA -0.094 61.114 61.300 -0.153 0.000 1.135 1139 I CB 1.005 38.977 38.000 -0.047 0.000 1.288 1139 I HN 0.424 nan 8.210 nan 0.000 0.448 1140 I N 5.972 126.345 120.570 -0.329 0.000 2.377 1140 I HA 0.435 4.605 4.170 -0.000 0.000 0.293 1140 I C -0.852 175.003 176.117 -0.437 0.000 0.987 1140 I CA -0.511 60.653 61.300 -0.226 0.000 1.185 1140 I CB 1.044 39.029 38.000 -0.025 0.000 1.341 1140 I HN 0.289 nan 8.210 nan 0.000 0.455 1141 F N 3.347 123.138 119.950 -0.266 0.000 2.482 1141 F HA 0.235 4.761 4.527 -0.000 0.000 0.331 1141 F C 0.784 176.621 175.800 0.061 0.000 1.115 1141 F CA -0.817 57.063 58.000 -0.199 0.000 0.955 1141 F CB 1.338 39.990 39.000 -0.580 0.000 1.136 1141 F HN 0.511 nan 8.300 nan 0.000 0.452 1142 D N -0.205 120.359 120.400 0.275 0.000 2.325 1142 D HA 0.079 4.719 4.640 -0.000 0.000 0.234 1142 D C 0.099 176.567 176.300 0.280 0.000 1.122 1142 D CA 0.154 54.306 54.000 0.253 0.000 0.850 1142 D CB -0.381 40.490 40.800 0.120 0.000 0.921 1142 D HN 0.517 nan 8.370 nan 0.000 0.513 1143 T N -4.223 110.541 114.554 0.349 0.000 2.769 1143 T HA 0.744 5.094 4.350 -0.000 0.000 0.306 1143 T C -1.264 173.627 174.700 0.319 0.000 1.400 1143 T CA -0.784 61.512 62.100 0.326 0.000 1.007 1143 T CB 1.703 70.778 68.868 0.346 0.000 1.392 1143 T HN 0.216 nan 8.240 nan 0.000 0.500 1144 A N 1.359 124.311 122.820 0.220 0.000 2.556 1144 A HA 0.969 5.289 4.320 -0.000 0.000 0.294 1144 A C -2.899 174.728 177.584 0.072 0.000 1.091 1144 A CA -1.702 50.346 52.037 0.018 0.000 0.704 1144 A CB 0.943 19.924 19.000 -0.030 0.000 1.300 1144 A HN 0.814 nan 8.150 nan 0.000 0.406 1145 P HA 0.361 nan 4.420 nan 0.000 0.274 1145 P C 0.106 177.445 177.300 0.064 0.000 1.246 1145 P CA 0.125 63.332 63.100 0.178 0.000 0.795 1145 P CB 0.679 32.578 31.700 0.331 0.000 1.006 1146 T N -3.387 111.212 114.554 0.075 0.000 2.884 1146 T HA 0.411 4.761 4.350 -0.000 0.000 0.277 1146 T C 1.608 176.315 174.700 0.011 0.000 0.976 1146 T CA -0.035 62.091 62.100 0.043 0.000 0.956 1146 T CB 0.532 69.446 68.868 0.076 0.000 1.113 1146 T HN 0.417 nan 8.240 nan 0.000 0.554 1147 G N -0.600 108.209 108.800 0.015 0.000 2.408 1147 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.217 1147 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.217 1147 G C 1.389 176.294 174.900 0.008 0.000 1.150 1147 G CA 1.023 46.120 45.100 -0.005 0.000 0.776 1147 G HN 0.988 nan 8.290 nan 0.000 0.542 1148 H N 0.977 120.010 119.070 -0.061 0.000 2.319 1148 H HA -0.066 4.490 4.556 -0.000 0.000 0.299 1148 H C 2.567 177.826 175.328 -0.114 0.000 1.092 1148 H CA 2.261 58.265 56.048 -0.074 0.000 1.302 1148 H CB -0.462 29.267 29.762 -0.055 0.000 1.373 1148 H HN 0.232 nan 8.280 nan 0.000 0.497 1149 T N 0.634 115.021 114.554 -0.279 0.000 2.821 1149 T HA -0.043 4.307 4.350 -0.000 0.000 0.267 1149 T C 2.271 176.681 174.700 -0.484 0.000 1.046 1149 T CA 1.405 63.252 62.100 -0.422 0.000 1.139 1149 T CB -0.189 68.537 68.868 -0.236 0.000 0.871 1149 T HN 0.300 nan 8.240 nan 0.000 0.454 1150 I N 0.569 120.934 120.570 -0.341 0.000 2.315 1150 I HA -0.134 4.036 4.170 -0.000 0.000 0.248 1150 I C 2.807 178.777 176.117 -0.244 0.000 1.117 1150 I CA 1.176 62.277 61.300 -0.332 0.000 1.404 1150 I CB -0.307 37.620 38.000 -0.121 0.000 1.071 1150 I HN 0.110 nan 8.210 nan 0.000 0.419 1151 R N 0.594 120.984 120.500 -0.184 0.000 2.081 1151 R HA -0.124 4.216 4.340 -0.000 0.000 0.235 1151 R C 2.352 178.548 176.300 -0.173 0.000 1.131 1151 R CA 1.254 57.277 56.100 -0.128 0.000 0.960 1151 R CB -0.308 29.951 30.300 -0.067 0.000 0.856 1151 R HN 0.338 nan 8.270 nan 0.000 0.436 1152 L N 0.258 121.312 121.223 -0.282 0.000 2.046 1152 L HA -0.205 4.135 4.340 -0.000 0.000 0.208 1152 L C 1.957 178.644 176.870 -0.305 0.000 1.077 1152 L CA 1.140 55.794 54.840 -0.311 0.000 0.747 1152 L CB -0.234 41.572 42.059 -0.422 0.000 0.896 1152 L HN 0.171 nan 8.230 nan 0.000 0.432 1153 L N -0.597 120.433 121.223 -0.321 0.000 2.492 1153 L HA -0.117 4.223 4.340 -0.000 0.000 0.223 1153 L C 2.555 179.463 176.870 0.064 0.000 1.132 1153 L CA 0.737 55.458 54.840 -0.198 0.000 0.850 1153 L CB -0.420 41.446 42.059 -0.323 0.000 0.966 1153 L HN 0.367 nan 8.230 nan 0.000 0.454 1154 Q N -0.039 119.759 119.800 -0.005 0.000 2.212 1154 Q HA -0.020 4.320 4.340 -0.000 0.000 0.199 1154 Q C 0.751 176.817 176.000 0.111 0.000 0.950 1154 Q CA 0.402 56.252 55.803 0.077 0.000 0.863 1154 Q CB -0.133 28.615 28.738 0.016 0.000 0.944 1154 Q HN 0.364 nan 8.270 nan 0.000 0.465 1155 L N 2.853 124.092 121.223 0.026 0.000 2.513 1155 L HA 0.058 4.398 4.340 -0.000 0.000 0.272 1155 L C -1.684 175.237 176.870 0.085 0.000 1.187 1155 L CA -1.300 53.548 54.840 0.014 0.000 0.895 1155 L CB 0.409 42.423 42.059 -0.075 0.000 1.147 1155 L HN 0.048 nan 8.230 nan 0.000 0.483 1156 P HA -0.113 nan 4.420 nan 0.000 0.218 1156 P C 1.438 178.825 177.300 0.145 0.000 1.149 1156 P CA 1.001 64.234 63.100 0.222 0.000 0.817 1156 P CB 0.236 32.014 31.700 0.130 0.000 0.785 1157 G N 0.039 108.851 108.800 0.019 0.000 2.509 1157 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.218 1157 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.218 1157 G C 1.526 176.342 174.900 -0.140 0.000 1.124 1157 G CA 0.660 45.740 45.100 -0.034 0.000 0.776 1157 G HN 0.314 nan 8.290 nan 0.000 0.547 1158 A N -0.214 122.411 122.820 -0.324 0.000 2.121 1158 A HA 0.072 4.392 4.320 -0.000 0.000 0.218 1158 A C 1.876 178.972 177.584 -0.814 0.000 1.154 1158 A CA 1.013 52.649 52.037 -0.668 0.000 0.679 1158 A CB -0.441 17.966 19.000 -0.987 0.000 0.795 1158 A HN 0.580 nan 8.150 nan 0.000 0.458 1159 W N -1.172 120.137 121.300 0.015 0.000 2.940 1159 W HA 0.155 4.815 4.660 -0.000 0.000 0.297 1159 W C 2.307 178.850 176.519 0.040 0.000 1.149 1159 W CA 0.503 57.867 57.345 0.033 0.000 1.564 1159 W CB 0.142 29.624 29.460 0.037 0.000 1.010 1159 W HN 0.350 nan 8.180 nan 0.000 0.578 1160 S N -1.283 114.521 115.700 0.174 0.000 2.691 1160 S HA 0.186 4.656 4.470 -0.000 0.000 0.241 1160 S C 0.815 175.473 174.600 0.096 0.000 1.077 1160 S CA -0.042 58.237 58.200 0.132 0.000 0.900 1160 S CB -0.532 62.736 63.200 0.113 0.000 0.805 1160 S HN -0.143 nan 8.310 nan 0.000 0.529 1161 S N 2.483 118.218 115.700 0.058 0.000 2.499 1161 S HA 0.580 5.050 4.470 -0.000 0.000 0.275 1161 S C -0.849 173.793 174.600 0.070 0.000 1.257 1161 S CA -0.537 57.692 58.200 0.047 0.000 1.050 1161 S CB 0.235 63.431 63.200 -0.008 0.000 0.937 1161 S HN 0.469 nan 8.310 nan 0.000 0.490 1162 F N 4.007 123.937 119.950 -0.034 0.000 2.483 1162 F HA 0.729 5.256 4.527 -0.000 0.000 0.329 1162 F C -0.754 175.022 175.800 -0.040 0.000 1.064 1162 F CA -1.344 56.633 58.000 -0.039 0.000 0.986 1162 F CB 0.692 39.679 39.000 -0.023 0.000 1.218 1162 F HN 0.408 nan 8.300 nan 0.000 0.484 1163 I N 2.980 122.772 120.570 -1.297 0.000 2.533 1163 I HA 0.201 4.371 4.170 -0.000 0.000 0.290 1163 I C -0.978 174.545 176.117 -0.991 0.000 1.056 1163 I CA -1.070 59.725 61.300 -0.842 0.000 1.057 1163 I CB 1.794 39.515 38.000 -0.465 0.000 1.240 1163 I HN 0.488 nan 8.210 nan 0.000 0.423 1164 D N 2.830 122.965 120.400 -0.443 0.000 2.548 1164 D HA -0.094 4.546 4.640 -0.000 0.000 0.231 1164 D C 0.480 176.678 176.300 -0.170 0.000 1.142 1164 D CA 0.872 54.757 54.000 -0.192 0.000 0.866 1164 D CB 0.617 41.370 40.800 -0.080 0.000 1.190 1164 D HN 0.400 nan 8.370 nan 0.000 0.469 1165 S N 2.114 117.792 115.700 -0.037 0.000 3.517 1165 S HA 0.079 4.549 4.470 -0.000 0.000 0.284 1165 S C -0.297 174.294 174.600 -0.015 0.000 1.260 1165 S CA -0.482 57.713 58.200 -0.008 0.000 0.975 1165 S CB -0.890 62.349 63.200 0.066 0.000 1.540 1165 S HN 0.313 nan 8.310 nan 0.000 0.506 1166 N N 3.766 122.439 118.700 -0.044 0.000 2.459 1166 N HA 0.392 5.132 4.740 -0.000 0.000 0.288 1166 N C -1.673 173.826 175.510 -0.019 0.000 1.186 1166 N CA -2.011 51.018 53.050 -0.034 0.000 0.917 1166 N CB 1.253 39.705 38.487 -0.059 0.000 1.219 1166 N HN 0.308 nan 8.380 nan 0.000 0.525 1167 P HA -0.101 nan 4.420 nan 0.000 0.217 1167 P C -0.321 176.994 177.300 0.025 0.000 1.154 1167 P CA 1.385 64.491 63.100 0.010 0.000 0.841 1167 P CB 0.244 31.956 31.700 0.021 0.000 0.788 1168 E N -1.162 119.055 120.200 0.028 0.000 2.239 1168 E HA 0.437 4.787 4.350 -0.000 0.000 0.261 1168 E C 0.802 177.392 176.600 -0.016 0.000 1.016 1168 E CA -0.469 55.970 56.400 0.065 0.000 0.882 1168 E CB 0.857 30.616 29.700 0.098 0.000 1.190 1168 E HN 0.123 nan 8.360 nan 0.000 0.415 1169 G N 1.550 110.344 108.800 -0.010 0.000 3.181 1169 G HA2 -0.478 3.482 3.960 -0.000 0.000 0.322 1169 G HA3 -0.478 3.482 3.960 -0.000 0.000 0.322 1169 G C 1.069 175.944 174.900 -0.040 0.000 1.246 1169 G CA 1.132 46.186 45.100 -0.077 0.000 0.989 1169 G HN 1.158 nan 8.290 nan 0.000 0.607 1170 A N 0.767 123.540 122.820 -0.078 0.000 2.276 1170 A HA 0.382 4.702 4.320 -0.000 0.000 0.205 1170 A C 2.337 179.891 177.584 -0.050 0.000 1.234 1170 A CA 2.109 54.095 52.037 -0.085 0.000 0.797 1170 A CB -0.727 18.187 19.000 -0.143 0.000 0.769 1170 A HN 1.325 nan 8.150 nan 0.000 0.491 1171 S N -0.984 114.709 115.700 -0.012 0.000 2.413 1171 S HA -0.233 4.237 4.470 -0.000 0.000 0.237 1171 S C 1.237 175.862 174.600 0.042 0.000 1.044 1171 S CA 1.702 59.912 58.200 0.017 0.000 1.024 1171 S CB -0.433 62.788 63.200 0.036 0.000 0.829 1171 S HN 0.786 nan 8.310 nan 0.000 0.475 1172 C N 0.745 120.069 119.300 0.038 0.000 2.760 1172 C HA 0.471 4.931 4.460 -0.000 0.000 0.293 1172 C C 1.436 176.427 174.990 0.001 0.000 1.383 1172 C CA -0.610 58.437 59.018 0.049 0.000 1.771 1172 C CB -1.324 26.464 27.740 0.080 0.000 2.353 1172 C HN 0.497 nan 8.230 nan 0.000 0.578 1173 L N 0.596 121.800 121.223 -0.032 0.000 2.592 1173 L HA 0.178 4.518 4.340 -0.000 0.000 0.227 1173 L C 2.506 179.350 176.870 -0.043 0.000 1.127 1173 L CA 0.592 55.389 54.840 -0.071 0.000 0.884 1173 L CB -0.343 41.643 42.059 -0.121 0.000 1.065 1173 L HN 0.553 nan 8.230 nan 0.000 0.457 1174 G N 1.760 110.558 108.800 -0.003 0.000 2.529 1174 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.219 1174 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.219 1174 G C -0.617 174.327 174.900 0.074 0.000 1.177 1174 G CA 0.848 45.976 45.100 0.046 0.000 0.773 1174 G HN 0.287 nan 8.290 nan 0.000 0.573 1175 P HA -0.191 nan 4.420 nan 0.000 0.218 1175 P C 2.134 179.544 177.300 0.185 0.000 1.150 1175 P CA 1.526 64.709 63.100 0.139 0.000 0.841 1175 P CB -0.080 31.609 31.700 -0.019 0.000 0.784 1176 M N -1.221 118.396 119.600 0.029 0.000 2.144 1176 M HA -0.161 4.319 4.480 -0.000 0.000 0.260 1176 M C 2.095 178.398 176.300 0.005 0.000 1.067 1176 M CA 2.037 57.304 55.300 -0.055 0.000 1.095 1176 M CB -2.096 30.415 32.600 -0.149 0.000 1.365 1176 M HN -0.067 nan 8.290 nan 0.000 0.406 1177 A N 0.177 123.031 122.820 0.058 0.000 1.972 1177 A HA 0.022 4.342 4.320 -0.000 0.000 0.219 1177 A C 2.438 180.006 177.584 -0.027 0.000 1.169 1177 A CA 1.818 53.883 52.037 0.046 0.000 0.635 1177 A CB -1.319 17.727 19.000 0.076 0.000 0.810 1177 A HN 0.545 nan 8.150 nan 0.000 0.446 1178 G N -0.568 108.192 108.800 -0.067 0.000 2.534 1178 G HA2 0.180 4.140 3.960 -0.000 0.000 0.217 1178 G HA3 0.180 4.140 3.960 -0.000 0.000 0.217 1178 G C 0.627 175.215 174.900 -0.520 0.000 1.128 1178 G CA -0.153 44.604 45.100 -0.573 0.000 0.784 1178 G HN 0.438 nan 8.290 nan 0.000 0.542 1179 L N 0.607 121.807 121.223 -0.037 0.000 2.601 1179 L HA 0.091 4.431 4.340 -0.000 0.000 0.277 1179 L C 1.285 178.257 176.870 0.170 0.000 1.219 1179 L CA 0.276 55.207 54.840 0.152 0.000 0.915 1179 L CB 0.717 42.852 42.059 0.126 0.000 1.160 1179 L HN 0.185 nan 8.230 nan 0.000 0.494 1180 E N 1.821 122.165 120.200 0.241 0.000 2.572 1180 E HA 0.119 4.469 4.350 -0.000 0.000 0.220 1180 E C -0.082 176.629 176.600 0.185 0.000 0.945 1180 E CA -0.105 56.390 56.400 0.159 0.000 1.070 1180 E CB 0.655 30.380 29.700 0.042 0.000 1.090 1180 E HN 0.510 nan 8.360 nan 0.000 0.506 1181 K N 0.747 121.312 120.400 0.274 0.000 2.090 1181 K HA 0.244 4.564 4.320 -0.000 0.000 0.249 1181 K C -0.032 176.592 176.600 0.040 0.000 0.995 1181 K CA -0.769 55.533 56.287 0.026 0.000 0.914 1181 K CB 0.794 33.117 32.500 -0.295 0.000 1.057 1181 K HN -0.092 nan 8.250 nan 0.000 0.462 1182 Q N 1.684 121.432 119.800 -0.087 0.000 2.392 1182 Q HA -0.028 4.312 4.340 -0.000 0.000 0.262 1182 Q C 1.041 176.916 176.000 -0.209 0.000 1.003 1182 Q CA 0.503 56.241 55.803 -0.108 0.000 0.888 1182 Q CB 0.866 29.536 28.738 -0.113 0.000 1.260 1182 Q HN 0.571 nan 8.270 nan 0.000 0.435 1183 R N 2.075 122.351 120.500 -0.372 0.000 2.119 1183 R HA -0.267 4.073 4.340 -0.000 0.000 0.246 1183 R C 1.033 177.153 176.300 -0.301 0.000 1.146 1183 R CA 2.083 57.767 56.100 -0.694 0.000 0.962 1183 R CB 0.259 29.886 30.300 -1.122 0.000 0.863 1183 R HN 0.545 nan 8.270 nan 0.000 0.442 1184 E N 0.634 120.697 120.200 -0.227 0.000 2.070 1184 E HA -0.238 4.112 4.350 -0.000 0.000 0.197 1184 E C 2.084 178.653 176.600 -0.052 0.000 1.004 1184 E CA 1.745 58.072 56.400 -0.122 0.000 0.805 1184 E CB -0.223 29.405 29.700 -0.121 0.000 0.744 1184 E HN 0.489 nan 8.360 nan 0.000 0.451 1185 Q N -0.795 118.925 119.800 -0.134 0.000 2.077 1185 Q HA -0.214 4.126 4.340 -0.000 0.000 0.206 1185 Q C 2.100 178.058 176.000 -0.071 0.000 0.989 1185 Q CA 1.716 57.442 55.803 -0.128 0.000 0.853 1185 Q CB -0.382 28.163 28.738 -0.322 0.000 0.907 1185 Q HN 0.421 nan 8.270 nan 0.000 0.418 1186 Y N 0.181 120.577 120.300 0.160 0.000 2.181 1186 Y HA -0.202 4.348 4.550 -0.000 0.000 0.288 1186 Y C 2.473 178.514 175.900 0.236 0.000 1.146 1186 Y CA 0.985 59.255 58.100 0.283 0.000 1.164 1186 Y CB -0.880 37.802 38.460 0.370 0.000 0.982 1186 Y HN 0.141 nan 8.280 nan 0.000 0.515 1187 A N -0.583 122.405 122.820 0.281 0.000 1.908 1187 A HA -0.264 4.056 4.320 -0.000 0.000 0.218 1187 A C 2.102 179.816 177.584 0.217 0.000 1.181 1187 A CA 1.796 53.956 52.037 0.206 0.000 0.627 1187 A CB -1.357 17.711 19.000 0.113 0.000 0.818 1187 A HN 0.541 nan 8.150 nan 0.000 0.445 1188 Y N 0.685 121.011 120.300 0.043 0.000 2.224 1188 Y HA -0.044 4.506 4.550 -0.000 0.000 0.289 1188 Y C 2.631 178.549 175.900 0.031 0.000 1.146 1188 Y CA 0.749 58.864 58.100 0.024 0.000 1.182 1188 Y CB -0.775 37.681 38.460 -0.007 0.000 0.983 1188 Y HN 0.312 nan 8.280 nan 0.000 0.524 1189 A N -0.783 122.030 122.820 -0.012 0.000 1.898 1189 A HA -0.115 4.205 4.320 -0.000 0.000 0.216 1189 A C 2.361 179.904 177.584 -0.070 0.000 1.181 1189 A CA 1.897 53.847 52.037 -0.144 0.000 0.620 1189 A CB -1.237 17.706 19.000 -0.094 0.000 0.819 1189 A HN 0.258 nan 8.150 nan 0.000 0.442 1190 V N -0.048 119.934 119.914 0.113 0.000 2.594 1190 V HA -0.240 3.880 4.120 -0.000 0.000 0.253 1190 V C 2.397 178.511 176.094 0.032 0.000 1.069 1190 V CA 2.245 64.613 62.300 0.113 0.000 1.082 1190 V CB -0.688 31.236 31.823 0.168 0.000 0.680 1190 V HN 0.730 nan 8.190 nan 0.000 0.469 1191 E N 0.202 120.425 120.200 0.038 0.000 2.107 1191 E HA -0.134 4.216 4.350 -0.000 0.000 0.191 1191 E C 2.272 178.865 176.600 -0.010 0.000 0.982 1191 E CA 1.136 57.562 56.400 0.044 0.000 0.809 1191 E CB -0.241 29.537 29.700 0.129 0.000 0.756 1191 E HN 0.574 nan 8.360 nan 0.000 0.459 1192 A N 0.523 123.279 122.820 -0.106 0.000 1.930 1192 A HA -0.119 4.201 4.320 -0.000 0.000 0.217 1192 A C 2.110 179.663 177.584 -0.052 0.000 1.175 1192 A CA 0.909 52.889 52.037 -0.096 0.000 0.627 1192 A CB -0.536 18.321 19.000 -0.238 0.000 0.815 1192 A HN 0.271 nan 8.150 nan 0.000 0.443 1193 L N -0.488 120.656 121.223 -0.130 0.000 2.141 1193 L HA -0.106 4.234 4.340 -0.000 0.000 0.209 1193 L C 2.428 179.248 176.870 -0.084 0.000 1.094 1193 L CA 1.354 56.091 54.840 -0.172 0.000 0.763 1193 L CB -0.212 41.680 42.059 -0.278 0.000 0.908 1193 L HN 0.284 nan 8.230 nan 0.000 0.437 1194 S N -1.622 114.053 115.700 -0.042 0.000 2.527 1194 S HA -0.047 4.423 4.470 -0.000 0.000 0.222 1194 S C 0.538 175.146 174.600 0.013 0.000 0.985 1194 S CA 0.048 58.239 58.200 -0.015 0.000 0.921 1194 S CB -0.222 62.977 63.200 -0.003 0.000 0.772 1194 S HN 0.294 nan 8.310 nan 0.000 0.529 1195 D N 2.519 122.937 120.400 0.029 0.000 2.393 1195 D HA 0.157 4.797 4.640 -0.000 0.000 0.232 1195 D C -1.420 174.918 176.300 0.063 0.000 1.192 1195 D CA -2.352 51.678 54.000 0.050 0.000 0.882 1195 D CB 1.282 42.120 40.800 0.064 0.000 1.038 1195 D HN 0.057 nan 8.370 nan 0.000 0.499 1196 P HA -0.168 nan 4.420 nan 0.000 0.221 1196 P C 0.806 178.150 177.300 0.073 0.000 1.145 1196 P CA 0.890 64.032 63.100 0.071 0.000 0.795 1196 P CB 0.393 32.134 31.700 0.067 0.000 0.775 1197 K N -0.485 119.952 120.400 0.063 0.000 2.365 1197 K HA -0.006 4.314 4.320 -0.000 0.000 0.199 1197 K C 2.228 178.858 176.600 0.049 0.000 1.045 1197 K CA 0.686 57.005 56.287 0.052 0.000 0.962 1197 K CB 0.047 32.573 32.500 0.043 0.000 0.759 1197 K HN 0.153 nan 8.250 nan 0.000 0.469 1198 R N -0.653 119.896 120.500 0.082 0.000 2.287 1198 R HA 0.098 4.438 4.340 -0.000 0.000 0.197 1198 R C -0.037 176.396 176.300 0.223 0.000 0.900 1198 R CA 0.493 56.660 56.100 0.111 0.000 1.052 1198 R CB 1.184 31.597 30.300 0.188 0.000 1.117 1198 R HN -0.088 nan 8.270 nan 0.000 0.568 1199 T N 0.670 115.349 114.554 0.207 0.000 2.921 1199 T HA 0.361 4.711 4.350 -0.000 0.000 0.297 1199 T C -1.200 173.591 174.700 0.150 0.000 1.013 1199 T CA -0.646 61.601 62.100 0.245 0.000 0.990 1199 T CB 2.661 71.653 68.868 0.206 0.000 1.023 1199 T HN 0.043 nan 8.240 nan 0.000 0.447 1200 R N 2.999 123.587 120.500 0.147 0.000 2.562 1200 R HA 0.645 4.985 4.340 -0.000 0.000 0.298 1200 R C -1.392 174.946 176.300 0.064 0.000 0.961 1200 R CA -0.891 55.257 56.100 0.080 0.000 0.881 1200 R CB 0.927 31.217 30.300 -0.017 0.000 1.159 1200 R HN 0.409 nan 8.270 nan 0.000 0.450 1201 L N 6.060 127.318 121.223 0.059 0.000 2.305 1201 L HA 0.450 4.790 4.340 -0.000 0.000 0.284 1201 L C -1.393 175.478 176.870 0.001 0.000 1.013 1201 L CA -0.598 54.253 54.840 0.018 0.000 0.819 1201 L CB 1.795 43.858 42.059 0.007 0.000 1.227 1201 L HN 0.503 nan 8.230 nan 0.000 0.417 1202 V N 6.651 126.480 119.914 -0.142 0.000 2.328 1202 V HA 0.345 4.465 4.120 -0.000 0.000 0.278 1202 V C 0.355 176.444 176.094 -0.008 0.000 1.021 1202 V CA -0.615 61.608 62.300 -0.128 0.000 0.838 1202 V CB 1.494 33.054 31.823 -0.437 0.000 0.999 1202 V HN 0.575 nan 8.190 nan 0.000 0.447 1203 L N 5.831 127.079 121.223 0.041 0.000 2.319 1203 L HA 0.463 4.803 4.340 -0.000 0.000 0.280 1203 L C -0.189 176.705 176.870 0.039 0.000 1.099 1203 L CA -0.232 54.639 54.840 0.052 0.000 0.828 1203 L CB 1.108 43.197 42.059 0.049 0.000 1.150 1203 L HN 0.354 nan 8.230 nan 0.000 0.442 1204 V N 2.699 122.647 119.914 0.056 0.000 2.547 1204 V HA 0.903 5.023 4.120 -0.000 0.000 0.299 1204 V C 0.288 176.386 176.094 0.008 0.000 1.040 1204 V CA -0.294 62.021 62.300 0.026 0.000 0.913 1204 V CB 1.309 33.160 31.823 0.046 0.000 0.992 1204 V HN 0.984 nan 8.190 nan 0.000 0.449 1205 A N 4.825 127.635 122.820 -0.016 0.000 2.593 1205 A HA 0.955 5.275 4.320 -0.000 0.000 0.304 1205 A C -0.997 176.569 177.584 -0.030 0.000 1.233 1205 A CA -0.879 51.148 52.037 -0.018 0.000 0.661 1205 A CB 1.801 20.789 19.000 -0.020 0.000 1.338 1205 A HN 0.653 nan 8.150 nan 0.000 0.495 1206 R N -0.746 119.737 120.500 -0.029 0.000 2.774 1206 R HA 0.464 4.804 4.340 -0.000 0.000 0.272 1206 R C -1.392 174.883 176.300 -0.040 0.000 1.000 1206 R CA -0.851 55.229 56.100 -0.034 0.000 0.906 1206 R CB 1.451 31.739 30.300 -0.021 0.000 1.227 1206 R HN 0.539 nan 8.270 nan 0.000 0.468 1207 L N 2.811 124.004 121.223 -0.050 0.000 2.400 1207 L HA 0.122 4.462 4.340 -0.000 0.000 0.262 1207 L C 0.016 176.858 176.870 -0.047 0.000 1.309 1207 L CA 0.450 55.253 54.840 -0.061 0.000 1.186 1207 L CB -0.262 41.745 42.059 -0.088 0.000 1.375 1207 L HN 0.217 nan 8.230 nan 0.000 0.433 1208 Q N 1.830 121.608 119.800 -0.036 0.000 2.268 1208 Q HA 0.103 4.443 4.340 -0.000 0.000 0.266 1208 Q C 0.235 176.221 176.000 -0.023 0.000 1.006 1208 Q CA -0.364 55.424 55.803 -0.025 0.000 0.824 1208 Q CB 2.454 31.182 28.738 -0.016 0.000 1.306 1208 Q HN 0.401 nan 8.270 nan 0.000 0.424 1209 K N 1.106 121.493 120.400 -0.021 0.000 2.103 1209 K HA -0.188 4.132 4.320 -0.000 0.000 0.207 1209 K C 1.530 178.124 176.600 -0.010 0.000 1.048 1209 K CA 2.173 58.450 56.287 -0.017 0.000 0.930 1209 K CB 0.247 32.739 32.500 -0.014 0.000 0.716 1209 K HN 0.614 nan 8.250 nan 0.000 0.444 1210 S N -0.714 114.982 115.700 -0.007 0.000 2.371 1210 S HA -0.096 4.374 4.470 -0.000 0.000 0.224 1210 S C 1.922 176.520 174.600 -0.003 0.000 1.029 1210 S CA 1.605 59.803 58.200 -0.002 0.000 0.978 1210 S CB -0.496 62.703 63.200 -0.001 0.000 0.833 1210 S HN 0.263 nan 8.310 nan 0.000 0.466 1211 T N 2.331 116.882 114.554 -0.006 0.000 2.951 1211 T HA 0.164 4.514 4.350 -0.000 0.000 0.268 1211 T C 1.550 176.247 174.700 -0.006 0.000 1.073 1211 T CA 0.808 62.905 62.100 -0.005 0.000 1.134 1211 T CB -0.342 68.522 68.868 -0.007 0.000 0.884 1211 T HN 0.150 nan 8.240 nan 0.000 0.479 1212 L N 1.186 122.402 121.223 -0.012 0.000 2.109 1212 L HA 0.081 4.421 4.340 -0.000 0.000 0.207 1212 L C 2.464 179.329 176.870 -0.009 0.000 1.086 1212 L CA 1.551 56.382 54.840 -0.016 0.000 0.760 1212 L CB -0.875 41.168 42.059 -0.026 0.000 0.910 1212 L HN 0.260 nan 8.230 nan 0.000 0.437 1213 Q N -1.141 118.657 119.800 -0.003 0.000 2.167 1213 Q HA -0.240 4.100 4.340 -0.000 0.000 0.202 1213 Q C 2.002 178.009 176.000 0.012 0.000 0.970 1213 Q CA 1.438 57.243 55.803 0.004 0.000 0.855 1213 Q CB 0.037 28.779 28.738 0.007 0.000 0.911 1213 Q HN 0.361 nan 8.270 nan 0.000 0.438 1214 E N 0.278 120.485 120.200 0.011 0.000 2.072 1214 E HA -0.120 4.230 4.350 -0.000 0.000 0.190 1214 E C 1.819 178.433 176.600 0.023 0.000 0.982 1214 E CA 0.982 57.392 56.400 0.016 0.000 0.803 1214 E CB -0.100 29.607 29.700 0.011 0.000 0.755 1214 E HN 0.108 nan 8.360 nan 0.000 0.453 1215 V N 1.138 121.064 119.914 0.019 0.000 2.407 1215 V HA -0.256 3.864 4.120 -0.000 0.000 0.248 1215 V C 2.424 178.546 176.094 0.047 0.000 1.055 1215 V CA 1.804 64.121 62.300 0.028 0.000 1.049 1215 V CB -1.077 30.753 31.823 0.010 0.000 0.662 1215 V HN 0.440 nan 8.190 nan 0.000 0.455 1216 A N -0.150 122.690 122.820 0.034 0.000 1.933 1216 A HA -0.239 4.081 4.320 -0.000 0.000 0.218 1216 A C 2.342 179.978 177.584 0.087 0.000 1.175 1216 A CA 1.995 54.064 52.037 0.053 0.000 0.628 1216 A CB -0.465 18.548 19.000 0.022 0.000 0.814 1216 A HN 0.458 nan 8.150 nan 0.000 0.444 1217 R N -0.783 119.750 120.500 0.055 0.000 2.066 1217 R HA -0.052 4.288 4.340 -0.000 0.000 0.232 1217 R C 2.327 178.653 176.300 0.044 0.000 1.131 1217 R CA 2.018 58.144 56.100 0.044 0.000 0.955 1217 R CB -0.880 29.438 30.300 0.030 0.000 0.851 1217 R HN 0.511 nan 8.270 nan 0.000 0.432 1218 T N -0.425 114.159 114.554 0.050 0.000 2.720 1218 T HA -0.233 4.117 4.350 -0.000 0.000 0.268 1218 T C 1.446 176.173 174.700 0.044 0.000 1.037 1218 T CA 1.957 64.082 62.100 0.042 0.000 1.144 1218 T CB -0.513 68.384 68.868 0.048 0.000 0.864 1218 T HN 0.441 nan 8.240 nan 0.000 0.444 1219 H N 1.334 120.401 119.070 -0.005 0.000 2.265 1219 H HA -0.028 4.528 4.556 -0.000 0.000 0.295 1219 H C 2.052 177.373 175.328 -0.011 0.000 1.084 1219 H CA 1.637 57.679 56.048 -0.009 0.000 1.261 1219 H CB -0.650 29.105 29.762 -0.011 0.000 1.360 1219 H HN 0.261 nan 8.280 nan 0.000 0.487 1220 L N 0.033 121.179 121.223 -0.128 0.000 2.046 1220 L HA -0.158 4.182 4.340 -0.000 0.000 0.208 1220 L C 2.539 179.323 176.870 -0.143 0.000 1.077 1220 L CA 1.752 56.492 54.840 -0.167 0.000 0.747 1220 L CB -0.513 41.531 42.059 -0.026 0.000 0.896 1220 L HN 0.486 nan 8.230 nan 0.000 0.432 1221 E N 0.271 120.421 120.200 -0.083 0.000 2.051 1221 E HA -0.201 4.149 4.350 -0.000 0.000 0.192 1221 E C 2.359 178.910 176.600 -0.081 0.000 0.991 1221 E CA 1.061 57.425 56.400 -0.060 0.000 0.799 1221 E CB -0.132 29.552 29.700 -0.026 0.000 0.748 1221 E HN 0.459 nan 8.360 nan 0.000 0.449 1222 L N 0.559 121.723 121.223 -0.098 0.000 2.141 1222 L HA -0.137 4.203 4.340 -0.000 0.000 0.209 1222 L C 2.585 179.379 176.870 -0.127 0.000 1.094 1222 L CA 0.768 55.548 54.840 -0.100 0.000 0.763 1222 L CB -0.478 41.529 42.059 -0.088 0.000 0.908 1222 L HN 0.141 nan 8.230 nan 0.000 0.437 1223 A N 0.279 122.975 122.820 -0.206 0.000 1.902 1223 A HA -0.149 4.171 4.320 -0.000 0.000 0.217 1223 A C 2.545 180.057 177.584 -0.121 0.000 1.181 1223 A CA 1.654 53.566 52.037 -0.208 0.000 0.623 1223 A CB -0.632 18.144 19.000 -0.373 0.000 0.818 1223 A HN 0.382 nan 8.150 nan 0.000 0.443 1224 A N -0.335 122.421 122.820 -0.107 0.000 1.972 1224 A HA -0.041 4.279 4.320 -0.000 0.000 0.219 1224 A C 2.026 179.581 177.584 -0.048 0.000 1.169 1224 A CA 1.465 53.463 52.037 -0.065 0.000 0.635 1224 A CB -0.553 18.414 19.000 -0.054 0.000 0.810 1224 A HN 0.503 nan 8.150 nan 0.000 0.446 1225 I N -1.847 118.691 120.570 -0.054 0.000 2.761 1225 I HA 0.035 4.205 4.170 -0.000 0.000 0.261 1225 I C 1.835 177.932 176.117 -0.033 0.000 1.198 1225 I CA 1.062 62.338 61.300 -0.040 0.000 1.482 1225 I CB 0.133 38.106 38.000 -0.045 0.000 1.100 1225 I HN 0.509 nan 8.210 nan 0.000 0.445 1226 G N 0.214 108.989 108.800 -0.042 0.000 2.551 1226 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.186 1226 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.186 1226 G C 0.025 174.906 174.900 -0.032 0.000 1.002 1226 G CA -0.701 44.382 45.100 -0.028 0.000 0.723 1226 G HN 0.051 nan 8.290 nan 0.000 0.481 1227 L N 2.344 123.537 121.223 -0.051 0.000 2.600 1227 L HA 0.373 4.713 4.340 -0.000 0.000 0.278 1227 L C 1.159 178.012 176.870 -0.027 0.000 1.139 1227 L CA 0.393 55.207 54.840 -0.043 0.000 0.933 1227 L CB 0.755 42.772 42.059 -0.070 0.000 1.266 1227 L HN -0.004 nan 8.230 nan 0.000 0.471 1228 K N 1.827 122.229 120.400 0.004 0.000 2.399 1228 K HA 0.163 4.483 4.320 -0.000 0.000 0.204 1228 K C 0.202 176.837 176.600 0.059 0.000 1.023 1228 K CA 0.136 56.437 56.287 0.022 0.000 1.127 1228 K CB 0.153 32.664 32.500 0.018 0.000 0.856 1228 K HN 0.481 nan 8.250 nan 0.000 0.514 1229 N N 1.910 120.658 118.700 0.080 0.000 3.012 1229 N HA 0.074 4.814 4.740 -0.000 0.000 0.270 1229 N C -1.002 174.628 175.510 0.201 0.000 1.469 1229 N CA -0.050 53.087 53.050 0.146 0.000 0.928 1229 N CB 0.372 38.940 38.487 0.134 0.000 1.219 1229 N HN 0.020 nan 8.380 nan 0.000 0.492 1230 Q N 1.572 121.487 119.800 0.191 0.000 2.342 1230 Q HA 0.344 4.684 4.340 -0.000 0.000 0.267 1230 Q C -1.470 174.642 176.000 0.188 0.000 1.038 1230 Q CA -0.663 55.270 55.803 0.216 0.000 0.832 1230 Q CB 2.051 30.899 28.738 0.184 0.000 1.323 1230 Q HN 0.354 nan 8.270 nan 0.000 0.448 1231 Y N 0.556 120.868 120.300 0.019 0.000 2.562 1231 Y HA 0.568 5.118 4.550 -0.000 0.000 0.343 1231 Y C -0.806 175.081 175.900 -0.021 0.000 1.025 1231 Y CA -1.206 56.903 58.100 0.015 0.000 1.082 1231 Y CB 1.543 40.037 38.460 0.057 0.000 1.264 1231 Y HN 0.487 nan 8.280 nan 0.000 0.478 1232 L N 2.093 123.369 121.223 0.089 0.000 2.349 1232 L HA 0.732 5.072 4.340 -0.000 0.000 0.278 1232 L C -1.583 175.286 176.870 -0.002 0.000 0.996 1232 L CA -0.638 54.209 54.840 0.012 0.000 0.825 1232 L CB 1.350 43.383 42.059 -0.045 0.000 1.243 1232 L HN 0.378 nan 8.230 nan 0.000 0.412 1233 V N 7.210 127.089 119.914 -0.058 0.000 2.284 1233 V HA 0.372 4.492 4.120 -0.000 0.000 0.274 1233 V C 0.258 176.295 176.094 -0.095 0.000 1.023 1233 V CA -0.379 61.847 62.300 -0.123 0.000 0.808 1233 V CB 1.119 32.741 31.823 -0.334 0.000 1.035 1233 V HN 0.608 nan 8.190 nan 0.000 0.445 1234 I N 4.964 125.485 120.570 -0.082 0.000 2.389 1234 I HA 0.152 4.322 4.170 -0.000 0.000 0.295 1234 I C 0.904 176.961 176.117 -0.100 0.000 1.117 1234 I CA 0.511 61.761 61.300 -0.083 0.000 1.317 1234 I CB -0.062 37.886 38.000 -0.087 0.000 1.431 1234 I HN 0.639 nan 8.210 nan 0.000 0.521 1235 N N 4.207 122.859 118.700 -0.081 0.000 2.463 1235 N HA 0.194 4.934 4.740 -0.000 0.000 0.270 1235 N C 1.054 176.535 175.510 -0.048 0.000 1.205 1235 N CA 0.365 53.372 53.050 -0.071 0.000 0.974 1235 N CB 1.060 39.512 38.487 -0.058 0.000 1.197 1235 N HN 0.788 nan 8.380 nan 0.000 0.504 1236 G N 0.417 109.204 108.800 -0.022 0.000 2.258 1236 G HA2 -0.243 3.716 3.960 -0.000 0.000 0.274 1236 G HA3 -0.243 3.716 3.960 -0.000 0.000 0.274 1236 G C 0.070 174.992 174.900 0.038 0.000 1.021 1236 G CA 0.337 45.449 45.100 0.020 0.000 0.798 1236 G HN 0.427 nan 8.290 nan 0.000 0.507 1237 V N 0.532 120.449 119.914 0.006 0.000 2.655 1237 V HA 0.286 4.406 4.120 -0.000 0.000 0.300 1237 V C 1.050 177.286 176.094 0.237 0.000 1.044 1237 V CA -0.242 62.083 62.300 0.041 0.000 1.095 1237 V CB 1.466 33.234 31.823 -0.091 0.000 0.952 1237 V HN 0.452 nan 8.190 nan 0.000 0.485 1238 L N 9.329 130.679 121.223 0.212 0.000 2.369 1238 L HA 0.394 4.734 4.340 -0.000 0.000 0.279 1238 L C -1.871 175.248 176.870 0.416 0.000 1.108 1238 L CA -1.258 53.749 54.840 0.278 0.000 0.852 1238 L CB 0.640 42.838 42.059 0.232 0.000 1.169 1238 L HN 0.465 nan 8.230 nan 0.000 0.452 1239 P HA -0.010 nan 4.420 nan 0.000 0.267 1239 P C -0.060 177.363 177.300 0.206 0.000 1.205 1239 P CA -0.157 63.031 63.100 0.147 0.000 0.765 1239 P CB 0.768 32.329 31.700 -0.233 0.000 0.828 1240 K N 2.396 122.952 120.400 0.260 0.000 2.160 1240 K HA -0.166 4.154 4.320 -0.000 0.000 0.206 1240 K C 1.768 178.218 176.600 -0.250 0.000 1.047 1240 K CA 2.130 58.314 56.287 -0.172 0.000 0.930 1240 K CB -0.508 31.878 32.500 -0.190 0.000 0.720 1240 K HN 0.586 nan 8.250 nan 0.000 0.450 1241 T N -1.611 112.863 114.554 -0.134 0.000 2.918 1241 T HA -0.168 4.182 4.350 -0.000 0.000 0.271 1241 T C 1.599 176.233 174.700 -0.109 0.000 1.104 1241 T CA 1.554 63.577 62.100 -0.128 0.000 1.114 1241 T CB -0.109 68.695 68.868 -0.107 0.000 0.855 1241 T HN 0.240 nan 8.240 nan 0.000 0.518 1242 E N 1.854 122.007 120.200 -0.079 0.000 2.086 1242 E HA 0.361 4.711 4.350 -0.000 0.000 0.190 1242 E C 1.632 178.199 176.600 -0.055 0.000 0.975 1242 E CA 0.791 57.168 56.400 -0.038 0.000 0.813 1242 E CB -0.528 29.187 29.700 0.026 0.000 0.768 1242 E HN 0.647 nan 8.360 nan 0.000 0.457 1243 A N -0.208 122.548 122.820 -0.108 0.000 3.051 1243 A HA 0.451 4.771 4.320 -0.000 0.000 0.257 1243 A C 0.844 178.319 177.584 -0.182 0.000 1.785 1243 A CA 0.815 52.778 52.037 -0.124 0.000 1.420 1243 A CB -0.814 18.086 19.000 -0.168 0.000 1.063 1243 A HN 0.265 nan 8.150 nan 0.000 0.630 1244 A N 0.661 123.410 122.820 -0.119 0.000 1.971 1244 A HA 0.166 4.486 4.320 -0.000 0.000 0.200 1244 A C 1.653 179.197 177.584 -0.067 0.000 1.658 1244 A CA 0.773 52.743 52.037 -0.111 0.000 0.962 1244 A CB -0.031 18.904 19.000 -0.109 0.000 1.053 1244 A HN 0.608 nan 8.150 nan 0.000 0.533 1245 N N 0.135 118.806 118.700 -0.048 0.000 2.405 1245 N HA 0.049 4.789 4.740 -0.000 0.000 0.175 1245 N C -0.289 175.210 175.510 -0.018 0.000 1.051 1245 N CA 0.653 53.684 53.050 -0.031 0.000 0.899 1245 N CB 0.122 38.593 38.487 -0.026 0.000 1.000 1245 N HN 0.379 nan 8.380 nan 0.000 0.451 1246 D N -1.949 118.443 120.400 -0.013 0.000 2.229 1246 D HA 0.297 4.937 4.640 -0.000 0.000 0.249 1246 D C 0.661 176.967 176.300 0.010 0.000 1.027 1246 D CA -0.206 53.795 54.000 0.002 0.000 0.923 1246 D CB 1.617 42.423 40.800 0.010 0.000 1.174 1246 D HN -0.013 nan 8.370 nan 0.000 0.443 1247 T N 1.613 116.177 114.554 0.016 0.000 2.896 1247 T HA -0.087 4.263 4.350 -0.000 0.000 0.263 1247 T C 1.613 176.336 174.700 0.038 0.000 1.050 1247 T CA 0.371 62.485 62.100 0.024 0.000 1.140 1247 T CB -0.097 68.784 68.868 0.021 0.000 0.877 1247 T HN 0.250 nan 8.240 nan 0.000 0.457 1248 L N 1.574 122.820 121.223 0.038 0.000 2.049 1248 L HA 0.287 4.627 4.340 -0.000 0.000 0.203 1248 L C 2.680 179.590 176.870 0.067 0.000 1.074 1248 L CA 1.684 56.553 54.840 0.048 0.000 0.749 1248 L CB -1.121 40.962 42.059 0.040 0.000 0.907 1248 L HN 0.205 nan 8.230 nan 0.000 0.439 1249 A N -0.377 122.481 122.820 0.062 0.000 1.948 1249 A HA -0.210 4.110 4.320 -0.000 0.000 0.220 1249 A C 2.405 180.067 177.584 0.130 0.000 1.177 1249 A CA 2.112 54.200 52.037 0.085 0.000 0.636 1249 A CB -1.160 17.872 19.000 0.053 0.000 0.815 1249 A HN 0.590 nan 8.150 nan 0.000 0.449 1250 A N -0.412 122.467 122.820 0.097 0.000 1.897 1250 A HA 0.261 4.581 4.320 -0.000 0.000 0.215 1250 A C 2.524 180.223 177.584 0.191 0.000 1.181 1250 A CA 1.833 53.945 52.037 0.126 0.000 0.620 1250 A CB -1.045 17.987 19.000 0.053 0.000 0.821 1250 A HN 1.069 nan 8.150 nan 0.000 0.443 1251 A N 0.269 123.165 122.820 0.127 0.000 1.883 1251 A HA -0.144 4.176 4.320 -0.000 0.000 0.217 1251 A C 2.120 179.776 177.584 0.121 0.000 1.186 1251 A CA 1.688 53.791 52.037 0.111 0.000 0.624 1251 A CB -0.702 18.342 19.000 0.073 0.000 0.822 1251 A HN 0.510 nan 8.150 nan 0.000 0.444 1252 I N -2.768 117.877 120.570 0.124 0.000 2.179 1252 I HA -0.272 3.898 4.170 -0.000 0.000 0.242 1252 I C 2.442 178.635 176.117 0.125 0.000 1.088 1252 I CA 1.700 63.063 61.300 0.105 0.000 1.357 1252 I CB -0.415 37.648 38.000 0.105 0.000 1.051 1252 I HN 0.692 nan 8.210 nan 0.000 0.409 1253 W N 2.015 123.333 121.300 0.030 0.000 2.342 1253 W HA -0.247 4.413 4.660 -0.000 0.000 0.297 1253 W C 2.511 179.049 176.519 0.032 0.000 1.213 1253 W CA 1.933 59.300 57.345 0.036 0.000 1.251 1253 W CB -0.008 29.473 29.460 0.035 0.000 1.136 1253 W HN 0.123 nan 8.180 nan 0.000 0.526 1254 E N -0.129 120.234 120.200 0.272 0.000 2.216 1254 E HA -0.194 4.156 4.350 -0.000 0.000 0.192 1254 E C 2.285 178.854 176.600 -0.051 0.000 0.988 1254 E CA 0.754 57.225 56.400 0.118 0.000 0.834 1254 E CB -0.182 29.666 29.700 0.247 0.000 0.772 1254 E HN 0.265 nan 8.360 nan 0.000 0.479 1255 R N 0.610 121.097 120.500 -0.022 0.000 2.073 1255 R HA -0.090 4.250 4.340 -0.000 0.000 0.229 1255 R C 1.902 178.144 176.300 -0.096 0.000 1.120 1255 R CA 1.506 57.582 56.100 -0.039 0.000 0.967 1255 R CB 0.083 30.381 30.300 -0.003 0.000 0.862 1255 R HN 0.161 nan 8.270 nan 0.000 0.436 1256 E N -0.143 119.971 120.200 -0.143 0.000 2.150 1256 E HA -0.215 4.135 4.350 -0.000 0.000 0.193 1256 E C 2.000 178.447 176.600 -0.255 0.000 0.985 1256 E CA 0.783 57.078 56.400 -0.176 0.000 0.814 1256 E CB 0.056 29.646 29.700 -0.183 0.000 0.752 1256 E HN 0.234 nan 8.360 nan 0.000 0.466 1257 Q N 1.135 120.696 119.800 -0.398 0.000 2.046 1257 Q HA -0.202 4.138 4.340 -0.000 0.000 0.200 1257 Q C 1.911 177.776 176.000 -0.225 0.000 0.975 1257 Q CA 1.698 57.238 55.803 -0.439 0.000 0.836 1257 Q CB -0.157 28.150 28.738 -0.717 0.000 0.896 1257 Q HN 0.137 nan 8.270 nan 0.000 0.428 1258 E N -0.163 119.942 120.200 -0.158 0.000 2.118 1258 E HA -0.163 4.187 4.350 -0.000 0.000 0.195 1258 E C 1.626 178.178 176.600 -0.081 0.000 0.992 1258 E CA 1.609 57.957 56.400 -0.087 0.000 0.804 1258 E CB -0.515 29.154 29.700 -0.052 0.000 0.741 1258 E HN 0.327 nan 8.360 nan 0.000 0.458 1259 A N 1.148 123.912 122.820 -0.093 0.000 1.877 1259 A HA -0.129 4.191 4.320 -0.000 0.000 0.216 1259 A C 2.238 179.774 177.584 -0.081 0.000 1.186 1259 A CA 1.520 53.510 52.037 -0.077 0.000 0.620 1259 A CB -0.889 18.064 19.000 -0.078 0.000 0.822 1259 A HN 0.420 nan 8.150 nan 0.000 0.443 1260 L N -0.169 120.989 121.223 -0.108 0.000 2.042 1260 L HA -0.161 4.179 4.340 -0.000 0.000 0.210 1260 L C 2.738 179.562 176.870 -0.077 0.000 1.076 1260 L CA 2.480 57.261 54.840 -0.099 0.000 0.749 1260 L CB -1.527 40.455 42.059 -0.128 0.000 0.893 1260 L HN 0.433 nan 8.230 nan 0.000 0.432 1261 A N 0.203 122.976 122.820 -0.078 0.000 1.873 1261 A HA -0.250 4.070 4.320 -0.000 0.000 0.218 1261 A C 1.501 179.060 177.584 -0.042 0.000 1.193 1261 A CA 2.020 54.024 52.037 -0.054 0.000 0.629 1261 A CB -0.791 18.179 19.000 -0.049 0.000 0.826 1261 A HN 0.740 nan 8.150 nan 0.000 0.447 1262 N N -0.084 118.591 118.700 -0.042 0.000 2.671 1262 N HA 0.355 5.095 4.740 -0.000 0.000 0.303 1262 N C -1.197 174.291 175.510 -0.037 0.000 1.351 1262 N CA -0.565 52.465 53.050 -0.034 0.000 0.991 1262 N CB 0.380 38.851 38.487 -0.026 0.000 1.307 1262 N HN 0.210 nan 8.380 nan 0.000 0.512 1263 L N 2.561 123.757 121.223 -0.044 0.000 2.578 1263 L HA 0.026 4.366 4.340 -0.000 0.000 0.279 1263 L C -1.527 175.318 176.870 -0.042 0.000 1.227 1263 L CA -0.855 53.956 54.840 -0.048 0.000 0.900 1263 L CB -0.189 41.836 42.059 -0.057 0.000 1.144 1263 L HN 0.228 nan 8.230 nan 0.000 0.496 1264 P HA -0.068 nan 4.420 nan 0.000 0.262 1264 P C 0.335 177.612 177.300 -0.038 0.000 1.182 1264 P CA 0.342 63.424 63.100 -0.031 0.000 0.761 1264 P CB 0.574 32.260 31.700 -0.023 0.000 0.795 1265 A N 4.885 127.689 122.820 -0.027 0.000 1.906 1265 A HA -0.308 4.012 4.320 -0.000 0.000 0.222 1265 A C 1.831 179.394 177.584 -0.034 0.000 1.282 1265 A CA 2.529 54.550 52.037 -0.026 0.000 0.675 1265 A CB -1.388 17.604 19.000 -0.013 0.000 0.838 1265 A HN 0.532 nan 8.150 nan 0.000 0.469 1266 D N -0.241 120.148 120.400 -0.019 0.000 2.172 1266 D HA -0.152 4.488 4.640 -0.000 0.000 0.196 1266 D C 1.643 177.858 176.300 -0.142 0.000 0.999 1266 D CA 1.283 55.278 54.000 -0.008 0.000 0.856 1266 D CB -0.387 40.454 40.800 0.068 0.000 0.934 1266 D HN 0.542 nan 8.370 nan 0.000 0.453 1267 L N 0.143 121.268 121.223 -0.165 0.000 2.591 1267 L HA 0.155 4.495 4.340 -0.000 0.000 0.228 1267 L C 2.267 179.031 176.870 -0.177 0.000 1.133 1267 L CA 0.030 54.724 54.840 -0.244 0.000 0.880 1267 L CB -0.171 41.788 42.059 -0.166 0.000 1.033 1267 L HN -0.059 nan 8.230 nan 0.000 0.450 1268 A N 0.633 123.382 122.820 -0.119 0.000 1.978 1268 A HA -0.122 4.198 4.320 -0.000 0.000 0.220 1268 A C 2.222 179.752 177.584 -0.089 0.000 1.170 1268 A CA 1.787 53.773 52.037 -0.086 0.000 0.636 1268 A CB -0.723 18.243 19.000 -0.057 0.000 0.810 1268 A HN 0.429 nan 8.150 nan 0.000 0.448 1269 G N -1.432 107.307 108.800 -0.102 0.000 3.042 1269 G HA2 0.392 4.352 3.960 -0.000 0.000 0.212 1269 G HA3 0.392 4.352 3.960 -0.000 0.000 0.212 1269 G C 0.197 175.023 174.900 -0.124 0.000 1.166 1269 G CA -0.217 44.829 45.100 -0.089 0.000 0.767 1269 G HN 0.280 nan 8.290 nan 0.000 0.546 1270 L N 2.160 123.281 121.223 -0.171 0.000 2.371 1270 L HA 0.347 4.687 4.340 -0.000 0.000 0.272 1270 L C -1.781 174.970 176.870 -0.199 0.000 1.124 1270 L CA -2.210 52.507 54.840 -0.206 0.000 0.816 1270 L CB 0.792 42.712 42.059 -0.232 0.000 1.129 1270 L HN -0.082 nan 8.230 nan 0.000 0.448 1271 P HA 0.121 nan 4.420 nan 0.000 0.268 1271 P C -0.864 176.378 177.300 -0.097 0.000 1.205 1271 P CA -0.172 62.790 63.100 -0.230 0.000 0.771 1271 P CB 0.507 31.931 31.700 -0.459 0.000 0.858 1272 T N 2.606 117.149 114.554 -0.017 0.000 2.879 1272 T HA 0.351 4.701 4.350 -0.000 0.000 0.290 1272 T C -0.746 173.988 174.700 0.057 0.000 0.993 1272 T CA -0.547 61.562 62.100 0.014 0.000 0.975 1272 T CB 1.377 70.228 68.868 -0.029 0.000 0.981 1272 T HN 0.319 nan 8.240 nan 0.000 0.439 1273 D N 1.974 122.427 120.400 0.088 0.000 2.419 1273 D HA 0.638 5.278 4.640 -0.000 0.000 0.234 1273 D C -0.215 176.087 176.300 0.003 0.000 1.014 1273 D CA -0.405 53.655 54.000 0.099 0.000 0.919 1273 D CB 2.230 43.190 40.800 0.267 0.000 1.366 1273 D HN 0.620 nan 8.370 nan 0.000 0.490 1274 T N -1.553 112.964 114.554 -0.060 0.000 2.886 1274 T HA 0.690 5.040 4.350 -0.000 0.000 0.292 1274 T C -0.517 174.020 174.700 -0.270 0.000 1.012 1274 T CA -0.834 61.156 62.100 -0.184 0.000 0.982 1274 T CB 0.833 69.538 68.868 -0.271 0.000 1.018 1274 T HN 0.202 nan 8.240 nan 0.000 0.451 1275 L N 2.566 123.641 121.223 -0.247 0.000 2.334 1275 L HA 0.650 4.990 4.340 -0.000 0.000 0.276 1275 L C -0.582 176.126 176.870 -0.271 0.000 1.014 1275 L CA -1.174 53.550 54.840 -0.194 0.000 0.815 1275 L CB 1.361 43.394 42.059 -0.044 0.000 1.268 1275 L HN 0.588 nan 8.230 nan 0.000 0.428 1276 F N 1.516 121.494 119.950 0.046 0.000 2.371 1276 F HA 0.294 4.821 4.527 -0.000 0.000 0.329 1276 F C 0.324 176.144 175.800 0.033 0.000 1.107 1276 F CA -0.585 57.441 58.000 0.043 0.000 1.137 1276 F CB 0.951 39.981 39.000 0.050 0.000 1.214 1276 F HN 0.212 nan 8.300 nan 0.000 0.536 1277 L N 3.654 125.035 121.223 0.264 0.000 2.534 1277 L HA 0.098 4.438 4.340 -0.000 0.000 0.271 1277 L C -0.197 176.750 176.870 0.128 0.000 1.178 1277 L CA 0.119 55.048 54.840 0.148 0.000 0.907 1277 L CB -0.140 41.996 42.059 0.129 0.000 1.164 1277 L HN 0.422 nan 8.230 nan 0.000 0.482 1278 Q N 6.226 126.078 119.800 0.086 0.000 2.227 1278 Q HA 0.324 4.664 4.340 -0.000 0.000 0.245 1278 Q C -1.763 174.262 176.000 0.042 0.000 0.926 1278 Q CA -1.826 54.014 55.803 0.062 0.000 0.895 1278 Q CB 0.795 29.561 28.738 0.046 0.000 1.230 1278 Q HN 0.473 nan 8.270 nan 0.000 0.450 1279 P HA -0.100 nan 4.420 nan 0.000 0.214 1279 P C 0.024 177.332 177.300 0.014 0.000 1.162 1279 P CA 0.938 64.049 63.100 0.019 0.000 0.879 1279 P CB 0.351 32.058 31.700 0.011 0.000 0.786 1280 V N -0.040 119.879 119.914 0.009 0.000 2.715 1280 V HA 0.253 4.373 4.120 -0.000 0.000 0.310 1280 V C -0.075 176.019 176.094 0.001 0.000 1.054 1280 V CA -1.064 61.237 62.300 0.003 0.000 0.928 1280 V CB 1.586 33.407 31.823 -0.004 0.000 1.007 1280 V HN -0.085 nan 8.190 nan 0.000 0.437 1281 N N 3.141 121.840 118.700 -0.002 0.000 2.440 1281 N HA 0.152 4.892 4.740 -0.000 0.000 0.265 1281 N C -0.264 175.235 175.510 -0.018 0.000 1.239 1281 N CA -0.066 52.980 53.050 -0.006 0.000 0.909 1281 N CB 0.417 38.901 38.487 -0.004 0.000 1.066 1281 N HN 0.525 nan 8.380 nan 0.000 0.474 1282 M N 1.671 121.257 119.600 -0.024 0.000 2.390 1282 M HA -0.034 4.446 4.480 -0.000 0.000 0.353 1282 M C 1.384 177.645 176.300 -0.065 0.000 1.623 1282 M CA 0.311 55.585 55.300 -0.043 0.000 1.065 1282 M CB 0.286 32.859 32.600 -0.046 0.000 2.025 1282 M HN 0.370 nan 8.290 nan 0.000 0.461 1283 V N 2.281 122.150 119.914 -0.075 0.000 3.572 1283 V HA 0.498 4.618 4.120 -0.000 0.000 0.260 1283 V C 0.693 176.702 176.094 -0.142 0.000 1.324 1283 V CA 0.897 63.141 62.300 -0.093 0.000 1.068 1283 V CB 0.496 32.283 31.823 -0.061 0.000 0.837 1283 V HN 0.844 nan 8.190 nan 0.000 0.450 1284 G N -1.058 107.663 108.800 -0.132 0.000 2.511 1284 G HA2 0.461 4.421 3.960 -0.000 0.000 0.318 1284 G HA3 0.461 4.421 3.960 -0.000 0.000 0.318 1284 G C 0.580 175.373 174.900 -0.178 0.000 1.210 1284 G CA 0.313 45.319 45.100 -0.157 0.000 0.969 1284 G HN -0.046 nan 8.290 nan 0.000 0.484 1285 V N 0.698 120.498 119.914 -0.189 0.000 2.380 1285 V HA -0.208 3.912 4.120 -0.000 0.000 0.251 1285 V C 2.968 179.018 176.094 -0.073 0.000 1.063 1285 V CA 2.607 64.820 62.300 -0.146 0.000 1.055 1285 V CB -0.500 31.275 31.823 -0.080 0.000 0.657 1285 V HN 0.661 nan 8.190 nan 0.000 0.455 1286 S N -0.053 115.613 115.700 -0.055 0.000 2.383 1286 S HA -0.089 4.381 4.470 -0.000 0.000 0.227 1286 S C 2.195 176.778 174.600 -0.028 0.000 1.026 1286 S CA 1.242 59.424 58.200 -0.030 0.000 0.981 1286 S CB -0.378 62.808 63.200 -0.024 0.000 0.818 1286 S HN 0.668 nan 8.310 nan 0.000 0.472 1287 A N 1.960 124.754 122.820 -0.043 0.000 1.873 1287 A HA 0.018 4.338 4.320 -0.000 0.000 0.215 1287 A C 1.956 179.522 177.584 -0.030 0.000 1.186 1287 A CA 0.997 53.014 52.037 -0.033 0.000 0.616 1287 A CB -0.674 18.299 19.000 -0.044 0.000 0.823 1287 A HN 0.358 nan 8.150 nan 0.000 0.442 1288 L N 0.508 121.698 121.223 -0.055 0.000 2.081 1288 L HA -0.155 4.185 4.340 -0.000 0.000 0.212 1288 L C 2.686 179.553 176.870 -0.006 0.000 1.080 1288 L CA 2.207 57.022 54.840 -0.043 0.000 0.754 1288 L CB -1.701 40.314 42.059 -0.074 0.000 0.893 1288 L HN 0.370 nan 8.230 nan 0.000 0.433 1289 S N -0.654 115.044 115.700 -0.004 0.000 2.368 1289 S HA -0.121 4.349 4.470 -0.000 0.000 0.224 1289 S C 1.955 176.571 174.600 0.026 0.000 1.029 1289 S CA 0.757 58.965 58.200 0.014 0.000 0.988 1289 S CB -0.176 63.029 63.200 0.009 0.000 0.838 1289 S HN 0.390 nan 8.310 nan 0.000 0.462 1290 R N 0.854 121.367 120.500 0.022 0.000 2.249 1290 R HA 0.062 4.402 4.340 -0.000 0.000 0.230 1290 R C 2.105 178.441 176.300 0.061 0.000 1.121 1290 R CA 0.533 56.655 56.100 0.037 0.000 0.997 1290 R CB -0.390 29.926 30.300 0.027 0.000 0.867 1290 R HN 0.360 nan 8.270 nan 0.000 0.465 1291 L N 0.467 121.722 121.223 0.054 0.000 2.141 1291 L HA -0.146 4.194 4.340 -0.000 0.000 0.209 1291 L C 1.392 178.320 176.870 0.096 0.000 1.094 1291 L CA 1.003 55.885 54.840 0.070 0.000 0.763 1291 L CB 0.035 42.120 42.059 0.042 0.000 0.908 1291 L HN 0.223 nan 8.230 nan 0.000 0.437 1292 L N -0.803 120.474 121.223 0.090 0.000 2.341 1292 L HA 0.031 4.371 4.340 -0.000 0.000 0.214 1292 L C 1.585 178.516 176.870 0.102 0.000 1.115 1292 L CA 0.617 55.518 54.840 0.102 0.000 0.820 1292 L CB -1.418 40.680 42.059 0.065 0.000 0.944 1292 L HN 0.128 nan 8.230 nan 0.000 0.452 1293 S N 0.621 116.381 115.700 0.101 0.000 2.810 1293 S HA -0.102 4.368 4.470 -0.000 0.000 0.329 1293 S C 1.649 176.349 174.600 0.166 0.000 1.231 1293 S CA 0.514 58.780 58.200 0.110 0.000 1.042 1293 S CB 0.316 63.576 63.200 0.100 0.000 0.756 1293 S HN 0.580 nan 8.310 nan 0.000 0.504 1294 T N 2.487 117.125 114.554 0.140 0.000 3.072 1294 T HA 0.103 4.453 4.350 -0.000 0.000 0.266 1294 T C 0.388 175.237 174.700 0.247 0.000 1.127 1294 T CA 0.624 62.829 62.100 0.176 0.000 1.107 1294 T CB -0.183 68.754 68.868 0.116 0.000 0.910 1294 T HN 0.735 nan 8.240 nan 0.000 0.513 1295 Q N 1.270 121.178 119.800 0.179 0.000 2.305 1295 Q HA 0.462 4.802 4.340 -0.000 0.000 0.271 1295 Q C -2.818 173.185 176.000 0.005 0.000 1.046 1295 Q CA -2.225 53.634 55.803 0.093 0.000 0.798 1295 Q CB 2.044 30.809 28.738 0.044 0.000 1.286 1295 Q HN 0.132 nan 8.270 nan 0.000 0.435 1308 Q N -0.131 119.667 119.800 -0.005 0.000 2.553 1308 Q HA 0.826 5.166 4.340 -0.000 0.000 0.293 1308 Q C -1.543 174.452 176.000 -0.008 0.000 1.038 1308 Q CA -0.821 54.978 55.803 -0.007 0.000 0.777 1308 Q CB 3.021 31.756 28.738 -0.007 0.000 1.487 1308 Q HN 0.293 nan 8.270 nan 0.000 0.426 1309 R N 1.432 121.924 120.500 -0.012 0.000 3.119 1309 R HA 0.224 4.564 4.340 -0.000 0.000 0.294 1309 R C -2.720 173.566 176.300 -0.022 0.000 1.267 1309 R CA -0.774 55.317 56.100 -0.015 0.000 1.078 1309 R CB 0.592 30.883 30.300 -0.016 0.000 1.320 1309 R HN 0.512 nan 8.270 nan 0.000 0.380 1310 P HA 0.128 nan 4.420 nan 0.000 0.271 1310 P C -0.618 176.657 177.300 -0.042 0.000 1.244 1310 P CA -0.185 62.897 63.100 -0.030 0.000 0.793 1310 P CB 0.804 32.489 31.700 -0.025 0.000 0.984 1311 D N 0.385 120.755 120.400 -0.050 0.000 3.139 1311 D HA 0.326 4.966 4.640 -0.000 0.000 0.268 1311 D C -0.745 175.510 176.300 -0.075 0.000 1.322 1311 D CA -0.295 53.666 54.000 -0.065 0.000 0.940 1311 D CB -1.065 39.696 40.800 -0.065 0.000 1.050 1311 D HN 0.093 nan 8.370 nan 0.000 0.503 1312 I N 1.661 122.189 120.570 -0.070 0.000 2.474 1312 I HA 0.383 4.553 4.170 -0.000 0.000 0.294 1312 I C -1.919 174.149 176.117 -0.082 0.000 1.005 1312 I CA -2.306 58.951 61.300 -0.072 0.000 1.113 1312 I CB 1.703 39.675 38.000 -0.047 0.000 1.289 1312 I HN 0.022 nan 8.210 nan 0.000 0.436 1313 P HA 0.272 nan 4.420 nan 0.000 0.272 1313 P C -0.592 176.667 177.300 -0.068 0.000 1.230 1313 P CA -0.489 62.550 63.100 -0.102 0.000 0.788 1313 P CB 0.466 32.098 31.700 -0.112 0.000 0.949 1314 S N 1.176 116.833 115.700 -0.071 0.000 2.661 1314 S HA 0.143 4.613 4.470 -0.000 0.000 0.265 1314 S C 1.146 175.739 174.600 -0.011 0.000 1.225 1314 S CA -0.712 57.463 58.200 -0.042 0.000 0.986 1314 S CB 0.026 63.188 63.200 -0.062 0.000 1.008 1314 S HN 0.434 nan 8.310 nan 0.000 0.565 1315 L N 1.292 122.519 121.223 0.008 0.000 2.141 1315 L HA -0.088 4.252 4.340 -0.000 0.000 0.209 1315 L C 2.534 179.426 176.870 0.036 0.000 1.094 1315 L CA 2.319 57.176 54.840 0.028 0.000 0.763 1315 L CB -1.432 40.644 42.059 0.029 0.000 0.908 1315 L HN 1.024 nan 8.230 nan 0.000 0.437 1316 S N -0.136 115.581 115.700 0.029 0.000 2.419 1316 S HA -0.123 4.347 4.470 -0.000 0.000 0.233 1316 S C 2.132 176.779 174.600 0.079 0.000 1.016 1316 S CA 0.865 59.096 58.200 0.052 0.000 0.974 1316 S CB -0.498 62.737 63.200 0.059 0.000 0.786 1316 S HN 0.481 nan 8.310 nan 0.000 0.492 1317 A N 1.992 124.849 122.820 0.061 0.000 1.933 1317 A HA 0.173 4.493 4.320 -0.000 0.000 0.218 1317 A C 2.300 179.949 177.584 0.109 0.000 1.175 1317 A CA 1.274 53.363 52.037 0.086 0.000 0.628 1317 A CB -0.741 18.273 19.000 0.024 0.000 0.814 1317 A HN 0.545 nan 8.150 nan 0.000 0.444 1318 L N -0.601 120.685 121.223 0.105 0.000 2.109 1318 L HA -0.118 4.222 4.340 -0.000 0.000 0.207 1318 L C 2.494 179.481 176.870 0.195 0.000 1.086 1318 L CA 0.796 55.758 54.840 0.203 0.000 0.760 1318 L CB -0.481 41.710 42.059 0.221 0.000 0.910 1318 L HN 0.240 nan 8.230 nan 0.000 0.437 1319 V N -0.225 119.736 119.914 0.079 0.000 2.343 1319 V HA -0.298 3.822 4.120 -0.000 0.000 0.247 1319 V C 2.146 178.212 176.094 -0.047 0.000 1.051 1319 V CA 1.822 64.107 62.300 -0.025 0.000 1.036 1319 V CB -0.510 31.295 31.823 -0.031 0.000 0.654 1319 V HN 0.431 nan 8.190 nan 0.000 0.451 1320 D N 0.161 120.584 120.400 0.040 0.000 2.092 1320 D HA -0.178 4.462 4.640 -0.000 0.000 0.193 1320 D C 1.968 178.294 176.300 0.042 0.000 0.994 1320 D CA 1.610 55.638 54.000 0.046 0.000 0.828 1320 D CB -0.405 40.482 40.800 0.146 0.000 0.963 1320 D HN 0.401 nan 8.370 nan 0.000 0.450 1321 D N 0.397 120.881 120.400 0.140 0.000 2.149 1321 D HA -0.125 4.515 4.640 -0.000 0.000 0.198 1321 D C 2.255 178.629 176.300 0.124 0.000 0.990 1321 D CA 0.489 54.611 54.000 0.203 0.000 0.839 1321 D CB -0.236 40.784 40.800 0.367 0.000 0.948 1321 D HN 0.412 nan 8.370 nan 0.000 0.460 1322 I N -1.198 119.368 120.570 -0.007 0.000 2.676 1322 I HA 0.017 4.187 4.170 -0.000 0.000 0.259 1322 I C 1.860 177.805 176.117 -0.287 0.000 1.194 1322 I CA 0.943 62.089 61.300 -0.257 0.000 1.473 1322 I CB -0.209 37.513 38.000 -0.464 0.000 1.096 1322 I HN -0.159 nan 8.210 nan 0.000 0.443 1323 A N 0.796 123.428 122.820 -0.313 0.000 2.252 1323 A HA 0.118 4.438 4.320 -0.000 0.000 0.207 1323 A C 2.222 179.682 177.584 -0.208 0.000 1.194 1323 A CA 0.328 52.085 52.037 -0.467 0.000 0.809 1323 A CB -0.800 17.946 19.000 -0.423 0.000 0.814 1323 A HN 0.495 nan 8.150 nan 0.000 0.482 1324 R N -0.138 120.317 120.500 -0.076 0.000 2.153 1324 R HA 0.014 4.354 4.340 -0.000 0.000 0.218 1324 R C 0.158 176.457 176.300 -0.001 0.000 1.072 1324 R CA 0.725 56.825 56.100 -0.001 0.000 0.990 1324 R CB -0.063 30.255 30.300 0.031 0.000 0.889 1324 R HN 0.654 nan 8.270 nan 0.000 0.452 1325 N N -0.277 118.409 118.700 -0.022 0.000 2.478 1325 N HA 0.066 4.806 4.740 -0.000 0.000 0.275 1325 N C 0.334 175.821 175.510 -0.038 0.000 1.221 1325 N CA -0.707 52.308 53.050 -0.059 0.000 0.979 1325 N CB 0.927 39.335 38.487 -0.132 0.000 1.202 1325 N HN -0.117 nan 8.380 nan 0.000 0.564 1326 E N -0.002 120.066 120.200 -0.221 0.000 2.166 1326 E HA -0.001 4.349 4.350 -0.000 0.000 0.192 1326 E C 0.178 176.395 176.600 -0.637 0.000 0.967 1326 E CA 1.139 57.437 56.400 -0.170 0.000 0.840 1326 E CB 0.155 29.856 29.700 0.002 0.000 0.795 1326 E HN 0.617 nan 8.360 nan 0.000 0.470 1327 H N -1.841 116.750 119.070 -0.797 0.000 3.161 1327 H HA 0.683 5.239 4.556 -0.000 0.000 0.285 1327 H C 0.208 175.120 175.328 -0.694 0.000 1.588 1327 H CA -0.507 54.828 56.048 -1.189 0.000 1.218 1327 H CB 1.306 30.744 29.762 -0.541 0.000 1.841 1327 H HN 0.080 nan 8.280 nan 0.000 0.623 1328 G N -0.111 108.575 108.800 -0.189 0.000 2.317 1328 G HA2 0.244 4.204 3.960 -0.000 0.000 0.445 1328 G HA3 0.244 4.204 3.960 -0.000 0.000 0.445 1328 G C -2.144 172.806 174.900 0.083 0.000 1.486 1328 G CA -0.514 44.590 45.100 0.007 0.000 0.991 1328 G HN 0.602 nan 8.290 nan 0.000 0.660 1329 L N 1.037 122.279 121.223 0.031 0.000 2.276 1329 L HA 0.851 5.191 4.340 -0.000 0.000 0.286 1329 L C -0.083 176.777 176.870 -0.017 0.000 1.061 1329 L CA -0.689 54.160 54.840 0.015 0.000 0.807 1329 L CB 0.729 42.794 42.059 0.009 0.000 1.177 1329 L HN 0.463 nan 8.230 nan 0.000 0.429 1330 I N 6.268 126.825 120.570 -0.021 0.000 2.418 1330 I HA 0.412 4.582 4.170 -0.000 0.000 0.287 1330 I C -0.606 175.485 176.117 -0.044 0.000 1.008 1330 I CA -0.376 60.888 61.300 -0.061 0.000 1.104 1330 I CB 1.616 39.564 38.000 -0.088 0.000 1.264 1330 I HN 0.557 nan 8.210 nan 0.000 0.438 1331 M N 7.081 126.662 119.600 -0.032 0.000 2.190 1331 M HA 0.473 4.953 4.480 -0.000 0.000 0.312 1331 M C -1.097 175.187 176.300 -0.026 0.000 0.990 1331 M CA -0.586 54.700 55.300 -0.023 0.000 0.927 1331 M CB 2.256 34.852 32.600 -0.008 0.000 1.571 1331 M HN 0.364 nan 8.290 nan 0.000 0.427 1332 L N 4.575 125.778 121.223 -0.033 0.000 2.265 1332 L HA 0.556 4.896 4.340 -0.000 0.000 0.288 1332 L C -0.433 176.403 176.870 -0.056 0.000 1.058 1332 L CA 0.338 55.154 54.840 -0.040 0.000 0.809 1332 L CB 0.816 42.854 42.059 -0.035 0.000 1.179 1332 L HN 0.711 nan 8.230 nan 0.000 0.429 1333 M N 2.200 121.749 119.600 -0.085 0.000 2.644 1333 M HA 0.874 5.354 4.480 -0.000 0.000 0.304 1333 M C 0.087 176.298 176.300 -0.147 0.000 1.215 1333 M CA -0.669 54.566 55.300 -0.109 0.000 0.871 1333 M CB 2.504 35.033 32.600 -0.118 0.000 1.740 1333 M HN 0.656 nan 8.290 nan 0.000 0.464 1334 G N 0.615 109.332 108.800 -0.138 0.000 2.337 1334 G HA2 0.170 4.130 3.960 -0.000 0.000 0.298 1334 G HA3 0.170 4.130 3.960 -0.000 0.000 0.298 1334 G C -1.756 173.078 174.900 -0.109 0.000 1.335 1334 G CA -1.018 43.989 45.100 -0.155 0.000 0.875 1334 G HN 0.450 nan 8.290 nan 0.000 0.579 1335 K N -0.247 120.092 120.400 -0.102 0.000 2.156 1335 K HA 0.472 4.792 4.320 -0.000 0.000 0.242 1335 K C 1.149 177.718 176.600 -0.052 0.000 1.033 1335 K CA 0.260 56.506 56.287 -0.068 0.000 0.878 1335 K CB 0.061 32.527 32.500 -0.058 0.000 1.057 1335 K HN 1.008 nan 8.250 nan 0.000 0.505 1336 G N -0.897 107.881 108.800 -0.036 0.000 2.380 1336 G HA2 0.331 4.291 3.960 -0.000 0.000 0.242 1336 G HA3 0.331 4.291 3.960 -0.000 0.000 0.242 1336 G C 0.905 175.792 174.900 -0.022 0.000 1.298 1336 G CA 0.289 45.373 45.100 -0.026 0.000 0.878 1336 G HN 0.685 nan 8.290 nan 0.000 0.542 1337 G N 0.200 108.989 108.800 -0.019 0.000 2.189 1337 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.267 1337 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.267 1337 G C 1.360 176.250 174.900 -0.017 0.000 0.975 1337 G CA 1.148 46.240 45.100 -0.015 0.000 0.644 1337 G HN 1.909 nan 8.290 nan 0.000 0.537 1338 V N -2.518 117.379 119.914 -0.027 0.000 2.759 1338 V HA 0.432 4.552 4.120 -0.000 0.000 0.256 1338 V C 1.988 178.068 176.094 -0.023 0.000 1.080 1338 V CA 1.824 64.106 62.300 -0.030 0.000 1.101 1338 V CB -0.482 31.309 31.823 -0.052 0.000 0.698 1338 V HN 2.279 nan 8.190 nan 0.000 0.477 1339 G N -0.190 108.597 108.800 -0.022 0.000 2.147 1339 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.128 1339 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.128 1339 G C 0.473 175.362 174.900 -0.018 0.000 1.026 1339 G CA 0.176 45.267 45.100 -0.015 0.000 0.693 1339 G HN 0.444 nan 8.290 nan 0.000 0.499 1340 K N -0.211 120.173 120.400 -0.027 0.000 2.074 1340 K HA -0.117 4.203 4.320 -0.000 0.000 0.209 1340 K C 2.478 179.067 176.600 -0.018 0.000 1.048 1340 K CA 1.993 58.263 56.287 -0.029 0.000 0.926 1340 K CB -0.251 32.229 32.500 -0.034 0.000 0.713 1340 K HN 0.342 nan 8.250 nan 0.000 0.444 1341 T N 0.549 115.096 114.554 -0.011 0.000 2.821 1341 T HA -0.089 4.261 4.350 -0.000 0.000 0.267 1341 T C 1.933 176.631 174.700 -0.003 0.000 1.046 1341 T CA 1.594 63.691 62.100 -0.005 0.000 1.139 1341 T CB -0.234 68.635 68.868 0.002 0.000 0.871 1341 T HN 0.279 nan 8.240 nan 0.000 0.454 1342 T N 2.532 117.084 114.554 -0.002 0.000 2.770 1342 T HA -0.000 4.350 4.350 -0.000 0.000 0.263 1342 T C 2.081 176.782 174.700 0.001 0.000 1.039 1342 T CA 0.863 62.964 62.100 0.002 0.000 1.142 1342 T CB -0.222 68.649 68.868 0.005 0.000 0.868 1342 T HN 0.172 nan 8.240 nan 0.000 0.435 1343 M N 1.412 121.011 119.600 -0.002 0.000 2.108 1343 M HA 0.029 4.509 4.480 -0.000 0.000 0.261 1343 M C 2.792 179.088 176.300 -0.007 0.000 1.066 1343 M CA 1.393 56.693 55.300 -0.001 0.000 1.107 1343 M CB -1.642 30.957 32.600 -0.001 0.000 1.356 1343 M HN 0.309 nan 8.290 nan 0.000 0.406 1344 A N 0.369 123.180 122.820 -0.014 0.000 1.858 1344 A HA -0.019 4.301 4.320 -0.000 0.000 0.216 1344 A C 2.485 180.058 177.584 -0.018 0.000 1.190 1344 A CA 2.409 54.433 52.037 -0.023 0.000 0.617 1344 A CB -1.069 17.913 19.000 -0.030 0.000 0.827 1344 A HN 0.478 nan 8.150 nan 0.000 0.443 1345 A N -0.169 122.645 122.820 -0.009 0.000 1.908 1345 A HA 0.119 4.439 4.320 -0.000 0.000 0.218 1345 A C 2.526 180.110 177.584 -0.000 0.000 1.181 1345 A CA 2.309 54.344 52.037 -0.002 0.000 0.627 1345 A CB -1.106 17.897 19.000 0.004 0.000 0.818 1345 A HN 1.141 nan 8.150 nan 0.000 0.445 1346 A N -0.267 122.554 122.820 0.001 0.000 1.940 1346 A HA -0.100 4.220 4.320 -0.000 0.000 0.219 1346 A C 2.134 179.716 177.584 -0.003 0.000 1.176 1346 A CA 1.611 53.651 52.037 0.005 0.000 0.631 1346 A CB -0.582 18.424 19.000 0.010 0.000 0.814 1346 A HN 0.514 nan 8.150 nan 0.000 0.446 1347 I N -0.473 120.087 120.570 -0.017 0.000 2.163 1347 I HA -0.239 3.931 4.170 -0.000 0.000 0.240 1347 I C 3.016 179.101 176.117 -0.053 0.000 1.081 1347 I CA 0.976 62.251 61.300 -0.042 0.000 1.353 1347 I CB -0.400 37.565 38.000 -0.060 0.000 1.054 1347 I HN 0.346 nan 8.210 nan 0.000 0.407 1348 A N 0.525 123.323 122.820 -0.037 0.000 1.892 1348 A HA -0.212 4.108 4.320 -0.000 0.000 0.218 1348 A C 2.433 180.019 177.584 0.004 0.000 1.188 1348 A CA 2.248 54.275 52.037 -0.017 0.000 0.631 1348 A CB -1.182 17.820 19.000 0.002 0.000 0.822 1348 A HN 0.254 nan 8.150 nan 0.000 0.447 1349 V N -0.144 119.775 119.914 0.009 0.000 2.332 1349 V HA -0.274 3.846 4.120 -0.000 0.000 0.248 1349 V C 2.686 178.796 176.094 0.026 0.000 1.055 1349 V CA 2.486 64.799 62.300 0.020 0.000 1.038 1349 V CB -0.852 30.983 31.823 0.019 0.000 0.651 1349 V HN 0.624 nan 8.190 nan 0.000 0.450 1350 R N -0.056 120.454 120.500 0.017 0.000 2.080 1350 R HA -0.134 4.206 4.340 -0.000 0.000 0.236 1350 R C 1.998 178.327 176.300 0.047 0.000 1.137 1350 R CA 1.713 57.829 56.100 0.026 0.000 0.943 1350 R CB -1.009 29.297 30.300 0.010 0.000 0.846 1350 R HN 0.318 nan 8.270 nan 0.000 0.431 1351 L N 0.257 121.488 121.223 0.013 0.000 2.013 1351 L HA -0.115 4.225 4.340 -0.000 0.000 0.212 1351 L C 2.295 179.292 176.870 0.212 0.000 1.073 1351 L CA 2.276 57.155 54.840 0.065 0.000 0.753 1351 L CB -1.400 40.577 42.059 -0.137 0.000 0.890 1351 L HN 0.354 nan 8.230 nan 0.000 0.432 1352 A N -0.746 122.147 122.820 0.121 0.000 1.845 1352 A HA -0.235 4.085 4.320 -0.000 0.000 0.215 1352 A C 2.031 179.656 177.584 0.068 0.000 1.195 1352 A CA 1.911 54.010 52.037 0.103 0.000 0.616 1352 A CB -0.876 18.163 19.000 0.065 0.000 0.832 1352 A HN 0.419 nan 8.150 nan 0.000 0.443 1353 D N -0.526 119.906 120.400 0.054 0.000 2.228 1353 D HA -0.128 4.512 4.640 -0.000 0.000 0.203 1353 D C 1.429 177.742 176.300 0.021 0.000 0.988 1353 D CA 1.036 55.056 54.000 0.033 0.000 0.864 1353 D CB -0.212 40.609 40.800 0.035 0.000 0.928 1353 D HN 0.265 nan 8.370 nan 0.000 0.469 1354 M N -0.903 118.731 119.600 0.057 0.000 2.568 1354 M HA 0.233 4.713 4.480 -0.000 0.000 0.226 1354 M C 1.331 177.505 176.300 -0.209 0.000 1.148 1354 M CA 0.192 55.503 55.300 0.019 0.000 1.007 1354 M CB -0.266 32.451 32.600 0.196 0.000 1.651 1354 M HN 0.125 nan 8.290 nan 0.000 0.488 1355 G N 0.424 109.123 108.800 -0.169 0.000 2.176 1355 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.253 1355 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.253 1355 G C -0.078 174.619 174.900 -0.337 0.000 0.979 1355 G CA -0.373 44.555 45.100 -0.287 0.000 0.641 1355 G HN 0.405 nan 8.290 nan 0.000 0.530 1356 F N 1.241 121.239 119.950 0.080 0.000 2.385 1356 F HA 0.546 5.073 4.527 -0.000 0.000 0.336 1356 F C 0.576 176.469 175.800 0.154 0.000 1.100 1356 F CA -1.052 57.044 58.000 0.160 0.000 1.116 1356 F CB 1.126 40.294 39.000 0.280 0.000 1.166 1356 F HN 0.009 nan 8.300 nan 0.000 0.511 1357 D N 2.543 123.136 120.400 0.323 0.000 2.339 1357 D HA 0.398 5.038 4.640 -0.000 0.000 0.256 1357 D C -0.959 175.502 176.300 0.268 0.000 1.214 1357 D CA 0.133 54.255 54.000 0.203 0.000 0.877 1357 D CB 0.686 41.554 40.800 0.113 0.000 1.111 1357 D HN 0.203 nan 8.370 nan 0.000 0.478 1358 V N 4.191 124.232 119.914 0.212 0.000 2.769 1358 V HA 0.404 4.524 4.120 -0.000 0.000 0.312 1358 V C -0.542 175.655 176.094 0.172 0.000 1.061 1358 V CA -0.974 61.459 62.300 0.223 0.000 0.931 1358 V CB 1.952 33.881 31.823 0.177 0.000 1.010 1358 V HN 0.645 nan 8.190 nan 0.000 0.433 1359 H N 3.043 122.148 119.070 0.058 0.000 2.970 1359 H HA 0.594 5.150 4.556 -0.000 0.000 0.315 1359 H C -1.373 173.936 175.328 -0.032 0.000 0.992 1359 H CA -0.821 55.230 56.048 0.005 0.000 1.363 1359 H CB 1.519 31.275 29.762 -0.009 0.000 1.532 1359 H HN 0.578 nan 8.280 nan 0.000 0.514 1360 L N 5.216 126.566 121.223 0.213 0.000 2.312 1360 L HA 0.422 4.762 4.340 -0.000 0.000 0.281 1360 L C -0.317 176.539 176.870 -0.022 0.000 1.070 1360 L CA 0.018 54.883 54.840 0.042 0.000 0.805 1360 L CB 1.371 43.448 42.059 0.030 0.000 1.174 1360 L HN 0.734 nan 8.230 nan 0.000 0.434 1361 T N 0.875 115.294 114.554 -0.225 0.000 2.887 1361 T HA 0.785 5.135 4.350 -0.000 0.000 0.288 1361 T C -0.295 174.243 174.700 -0.270 0.000 1.021 1361 T CA -0.602 61.252 62.100 -0.410 0.000 1.000 1361 T CB 1.696 69.886 68.868 -1.130 0.000 1.034 1361 T HN 0.831 nan 8.240 nan 0.000 0.467 1362 T N -0.105 114.411 114.554 -0.063 0.000 2.886 1362 T HA 0.493 4.843 4.350 -0.000 0.000 0.330 1362 T C -0.042 174.801 174.700 0.240 0.000 1.488 1362 T CA -0.117 62.039 62.100 0.094 0.000 1.054 1362 T CB 1.265 70.157 68.868 0.040 0.000 1.348 1362 T HN 1.049 nan 8.240 nan 0.000 0.489 1363 S N 1.797 117.616 115.700 0.198 0.000 2.601 1363 S HA 0.317 4.787 4.470 -0.000 0.000 0.244 1363 S C -0.164 174.461 174.600 0.041 0.000 1.001 1363 S CA -0.549 57.717 58.200 0.110 0.000 0.984 1363 S CB 0.047 63.273 63.200 0.044 0.000 0.842 1363 S HN 0.662 nan 8.310 nan 0.000 0.474 1364 D N 2.909 123.340 120.400 0.053 0.000 2.308 1364 D HA 0.294 4.934 4.640 -0.000 0.000 0.242 1364 D C -2.766 173.557 176.300 0.039 0.000 1.059 1364 D CA -1.759 52.261 54.000 0.034 0.000 0.830 1364 D CB 2.391 43.209 40.800 0.029 0.000 1.161 1364 D HN 0.074 nan 8.370 nan 0.000 0.494 1365 P HA 0.306 nan 4.420 nan 0.000 0.238 1365 P C -0.464 176.856 177.300 0.032 0.000 1.794 1365 P CA -0.113 63.010 63.100 0.039 0.000 1.088 1365 P CB 0.739 32.466 31.700 0.046 0.000 1.923 1366 A N 1.684 124.522 122.820 0.029 0.000 1.784 1366 A HA 0.459 4.779 4.320 -0.000 0.000 0.185 1366 A C 1.023 178.620 177.584 0.022 0.000 1.964 1366 A CA 0.620 52.671 52.037 0.023 0.000 1.540 1366 A CB -0.557 18.456 19.000 0.021 0.000 1.588 1366 A HN 0.472 nan 8.150 nan 0.000 0.320 1378 N N -1.440 117.259 118.700 -0.001 0.000 2.640 1378 N HA 0.037 4.777 4.740 -0.000 0.000 0.340 1378 N C 0.267 175.777 175.510 -0.001 0.000 1.155 1378 N CA -0.103 52.946 53.050 -0.002 0.000 1.690 1378 N CB 0.300 38.788 38.487 0.001 0.000 0.741 1378 N HN -0.064 nan 8.380 nan 0.000 1.523 1379 N N 1.038 119.744 118.700 0.011 0.000 2.383 1379 N HA 0.116 4.856 4.740 -0.000 0.000 0.192 1379 N C -0.697 174.834 175.510 0.035 0.000 1.141 1379 N CA 0.194 53.259 53.050 0.026 0.000 0.851 1379 N CB 0.144 38.657 38.487 0.044 0.000 0.976 1379 N HN 0.272 nan 8.380 nan 0.000 0.465 1380 L N 1.576 122.810 121.223 0.018 0.000 2.325 1380 L HA 0.319 4.659 4.340 -0.000 0.000 0.281 1380 L C -0.483 176.374 176.870 -0.022 0.000 1.004 1380 L CA -0.577 54.273 54.840 0.016 0.000 0.823 1380 L CB 1.509 43.584 42.059 0.026 0.000 1.236 1380 L HN 0.051 nan 8.230 nan 0.000 0.415 1381 Q N 4.290 124.053 119.800 -0.062 0.000 2.337 1381 Q HA 0.759 5.099 4.340 -0.000 0.000 0.266 1381 Q C -1.813 174.144 176.000 -0.071 0.000 1.023 1381 Q CA -0.928 54.793 55.803 -0.136 0.000 0.829 1381 Q CB 2.302 30.855 28.738 -0.309 0.000 1.306 1381 Q HN 0.454 nan 8.270 nan 0.000 0.449 1382 V N 2.284 122.188 119.914 -0.017 0.000 2.513 1382 V HA 0.516 4.636 4.120 -0.000 0.000 0.299 1382 V C -0.498 175.649 176.094 0.087 0.000 1.035 1382 V CA -0.636 61.700 62.300 0.060 0.000 0.889 1382 V CB 1.885 33.731 31.823 0.038 0.000 0.988 1382 V HN 0.901 nan 8.190 nan 0.000 0.440 1383 S N 4.219 120.007 115.700 0.145 0.000 2.502 1383 S HA 0.687 5.157 4.470 -0.000 0.000 0.304 1383 S C -0.490 174.187 174.600 0.127 0.000 1.097 1383 S CA -0.801 57.494 58.200 0.157 0.000 1.045 1383 S CB 1.291 64.635 63.200 0.241 0.000 1.019 1383 S HN 0.706 nan 8.310 nan 0.000 0.481 1384 R N 1.773 122.351 120.500 0.129 0.000 2.562 1384 R HA 0.683 5.023 4.340 -0.000 0.000 0.298 1384 R C -0.748 175.638 176.300 0.143 0.000 0.961 1384 R CA -0.750 55.428 56.100 0.131 0.000 0.881 1384 R CB 1.096 31.445 30.300 0.082 0.000 1.159 1384 R HN 0.625 nan 8.270 nan 0.000 0.450 1385 I N -2.215 118.449 120.570 0.156 0.000 2.646 1385 I HA 0.465 4.635 4.170 -0.000 0.000 0.299 1385 I C -0.771 175.349 176.117 0.004 0.000 1.036 1385 I CA -0.884 60.452 61.300 0.059 0.000 1.074 1385 I CB 2.078 40.051 38.000 -0.043 0.000 1.258 1385 I HN 0.409 nan 8.210 nan 0.000 0.430 1386 D N 6.878 127.270 120.400 -0.015 0.000 2.339 1386 D HA 0.367 5.007 4.640 -0.000 0.000 0.241 1386 D C -1.551 174.691 176.300 -0.096 0.000 1.183 1386 D CA -2.070 51.919 54.000 -0.018 0.000 0.859 1386 D CB 1.278 42.101 40.800 0.038 0.000 1.067 1386 D HN 0.417 nan 8.370 nan 0.000 0.484 1387 P HA -0.224 nan 4.420 nan 0.000 0.216 1387 P C 0.634 177.770 177.300 -0.273 0.000 1.153 1387 P CA 1.536 64.463 63.100 -0.288 0.000 0.858 1387 P CB 0.130 31.601 31.700 -0.382 0.000 0.789 1388 H N -0.163 118.892 119.070 -0.025 0.000 2.326 1388 H HA -0.060 4.496 4.556 -0.000 0.000 0.301 1388 H C 2.409 177.727 175.328 -0.016 0.000 1.081 1388 H CA 1.479 57.516 56.048 -0.018 0.000 1.334 1388 H CB -0.602 29.153 29.762 -0.013 0.000 1.385 1388 H HN 0.236 nan 8.280 nan 0.000 0.504 1389 E N 0.628 120.881 120.200 0.088 0.000 2.058 1389 E HA -0.207 4.143 4.350 -0.000 0.000 0.194 1389 E C 1.772 178.378 176.600 0.009 0.000 0.997 1389 E CA 1.118 57.543 56.400 0.042 0.000 0.801 1389 E CB 0.219 29.935 29.700 0.026 0.000 0.746 1389 E HN 0.416 nan 8.360 nan 0.000 0.450 1390 E N -0.068 120.112 120.200 -0.033 0.000 2.047 1390 E HA -0.135 4.215 4.350 -0.000 0.000 0.191 1390 E C 2.243 178.841 176.600 -0.003 0.000 0.987 1390 E CA 1.479 57.846 56.400 -0.054 0.000 0.799 1390 E CB -0.665 28.951 29.700 -0.141 0.000 0.752 1390 E HN 0.273 nan 8.360 nan 0.000 0.449 1391 T N 1.894 116.443 114.554 -0.008 0.000 2.720 1391 T HA -0.153 4.197 4.350 -0.000 0.000 0.268 1391 T C 1.671 176.424 174.700 0.088 0.000 1.037 1391 T CA 1.331 63.457 62.100 0.043 0.000 1.144 1391 T CB -0.063 68.815 68.868 0.017 0.000 0.864 1391 T HN 0.055 nan 8.240 nan 0.000 0.444 1392 E N 0.847 121.083 120.200 0.061 0.000 2.106 1392 E HA -0.062 4.288 4.350 -0.000 0.000 0.192 1392 E C 2.336 178.966 176.600 0.049 0.000 0.984 1392 E CA 0.627 57.056 56.400 0.049 0.000 0.806 1392 E CB -0.267 29.456 29.700 0.038 0.000 0.750 1392 E HN 0.414 nan 8.360 nan 0.000 0.458 1393 R N -0.261 120.271 120.500 0.054 0.000 2.082 1393 R HA -0.219 4.121 4.340 -0.000 0.000 0.234 1393 R C 2.344 178.703 176.300 0.098 0.000 1.136 1393 R CA 1.667 57.798 56.100 0.053 0.000 0.935 1393 R CB -0.648 29.671 30.300 0.032 0.000 0.842 1393 R HN 0.183 nan 8.270 nan 0.000 0.430 1394 Y N 1.375 121.674 120.300 -0.001 0.000 2.097 1394 Y HA -0.212 4.338 4.550 -0.000 0.000 0.282 1394 Y C 2.462 178.395 175.900 0.055 0.000 1.152 1394 Y CA 2.028 60.147 58.100 0.032 0.000 1.136 1394 Y CB -0.288 38.170 38.460 -0.002 0.000 0.975 1394 Y HN 0.063 nan 8.280 nan 0.000 0.498 1395 R N -0.132 120.369 120.500 0.002 0.000 2.094 1395 R HA -0.286 4.054 4.340 -0.000 0.000 0.239 1395 R C 2.445 178.676 176.300 -0.114 0.000 1.137 1395 R CA 2.062 58.107 56.100 -0.091 0.000 0.943 1395 R CB -0.641 29.655 30.300 -0.008 0.000 0.850 1395 R HN 0.504 nan 8.270 nan 0.000 0.433 1396 Q N -0.215 119.559 119.800 -0.043 0.000 2.181 1396 Q HA -0.264 4.076 4.340 -0.000 0.000 0.205 1396 Q C 1.933 177.907 176.000 -0.043 0.000 0.980 1396 Q CA 1.936 57.718 55.803 -0.035 0.000 0.862 1396 Q CB -0.078 28.660 28.738 -0.001 0.000 0.905 1396 Q HN 0.446 nan 8.270 nan 0.000 0.429 1397 H N -0.338 118.640 119.070 -0.152 0.000 2.333 1397 H HA -0.084 4.472 4.556 -0.000 0.000 0.302 1397 H C 1.855 177.055 175.328 -0.212 0.000 1.075 1397 H CA 1.758 57.708 56.048 -0.164 0.000 1.348 1397 H CB -0.268 29.400 29.762 -0.156 0.000 1.393 1397 H HN 0.161 nan 8.280 nan 0.000 0.509 1398 V N 0.284 119.919 119.914 -0.464 0.000 2.667 1398 V HA -0.086 4.034 4.120 -0.000 0.000 0.252 1398 V C 2.067 177.977 176.094 -0.308 0.000 1.065 1398 V CA 1.190 63.207 62.300 -0.472 0.000 1.083 1398 V CB -0.591 30.951 31.823 -0.469 0.000 0.692 1398 V HN 0.407 nan 8.190 nan 0.000 0.468 1399 L N 1.181 122.265 121.223 -0.232 0.000 2.056 1399 L HA -0.108 4.232 4.340 -0.000 0.000 0.207 1399 L C 2.701 179.484 176.870 -0.145 0.000 1.078 1399 L CA 2.775 57.520 54.840 -0.157 0.000 0.749 1399 L CB -1.099 40.893 42.059 -0.111 0.000 0.901 1399 L HN 0.774 nan 8.230 nan 0.000 0.433 1400 E N -1.800 118.308 120.200 -0.153 0.000 2.072 1400 E HA -0.198 4.152 4.350 -0.000 0.000 0.190 1400 E C 2.042 178.557 176.600 -0.142 0.000 0.982 1400 E CA 1.673 58.001 56.400 -0.120 0.000 0.803 1400 E CB -0.457 29.191 29.700 -0.087 0.000 0.755 1400 E HN 0.223 nan 8.360 nan 0.000 0.453 1401 T N -0.203 114.218 114.554 -0.221 0.000 2.812 1401 T HA -0.035 4.315 4.350 -0.000 0.000 0.264 1401 T C 1.533 176.136 174.700 -0.161 0.000 1.042 1401 T CA 1.401 63.376 62.100 -0.207 0.000 1.140 1401 T CB -0.066 68.611 68.868 -0.319 0.000 0.870 1401 T HN 0.140 nan 8.240 nan 0.000 0.445 1402 K N -0.215 120.079 120.400 -0.177 0.000 2.358 1402 K HA 0.286 4.606 4.320 -0.000 0.000 0.197 1402 K C 1.810 178.338 176.600 -0.121 0.000 1.025 1402 K CA 0.262 56.464 56.287 -0.142 0.000 1.104 1402 K CB 0.540 32.947 32.500 -0.157 0.000 0.855 1402 K HN 0.344 nan 8.250 nan 0.000 0.531 1403 G N 0.848 109.581 108.800 -0.112 0.000 2.921 1403 G HA2 -0.044 3.916 3.960 -0.000 0.000 0.213 1403 G HA3 -0.044 3.916 3.960 -0.000 0.000 0.213 1403 G C 0.237 175.096 174.900 -0.068 0.000 1.143 1403 G CA -0.227 44.820 45.100 -0.089 0.000 0.764 1403 G HN -0.005 nan 8.290 nan 0.000 0.542 1404 K N 1.621 121.982 120.400 -0.066 0.000 2.466 1404 K HA 0.127 4.447 4.320 -0.000 0.000 0.278 1404 K C 0.488 177.065 176.600 -0.038 0.000 1.048 1404 K CA 0.176 56.434 56.287 -0.048 0.000 1.088 1404 K CB -0.049 32.423 32.500 -0.046 0.000 0.884 1404 K HN 0.428 nan 8.250 nan 0.000 0.478 1405 E N 2.016 122.198 120.200 -0.029 0.000 2.811 1405 E HA -0.228 4.122 4.350 -0.000 0.000 0.150 1405 E C -1.650 174.937 176.600 -0.021 0.000 1.823 1405 E CA 0.274 56.662 56.400 -0.020 0.000 0.661 1405 E CB -0.661 29.031 29.700 -0.013 0.000 1.086 1405 E HN 0.332 nan 8.360 nan 0.000 0.354 1406 L N 3.434 124.643 121.223 -0.024 0.000 2.549 1406 L HA 0.393 4.733 4.340 -0.000 0.000 0.259 1406 L C -0.939 175.919 176.870 -0.020 0.000 0.934 1406 L CA -0.330 54.495 54.840 -0.026 0.000 0.865 1406 L CB 1.506 43.537 42.059 -0.046 0.000 1.352 1406 L HN 0.435 nan 8.230 nan 0.000 0.410 1407 D N 2.433 122.826 120.400 -0.012 0.000 2.384 1407 D HA 0.084 4.724 4.640 -0.000 0.000 0.244 1407 D C 0.613 176.905 176.300 -0.013 0.000 1.251 1407 D CA -0.066 53.929 54.000 -0.007 0.000 0.961 1407 D CB 0.712 41.514 40.800 0.003 0.000 1.116 1407 D HN 0.509 nan 8.370 nan 0.000 0.484 1408 E N 0.197 120.391 120.200 -0.009 0.000 2.118 1408 E HA -0.190 4.160 4.350 -0.000 0.000 0.195 1408 E C 1.922 178.514 176.600 -0.013 0.000 0.992 1408 E CA 1.655 58.048 56.400 -0.012 0.000 0.804 1408 E CB -0.672 29.024 29.700 -0.007 0.000 0.741 1408 E HN 0.646 nan 8.360 nan 0.000 0.458 1409 A N 0.808 123.625 122.820 -0.006 0.000 1.930 1409 A HA -0.028 4.292 4.320 -0.000 0.000 0.217 1409 A C 2.464 180.033 177.584 -0.025 0.000 1.175 1409 A CA 1.739 53.773 52.037 -0.006 0.000 0.627 1409 A CB -0.824 18.184 19.000 0.013 0.000 0.815 1409 A HN 0.334 nan 8.150 nan 0.000 0.443 1410 G N -0.394 108.389 108.800 -0.029 0.000 2.403 1410 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.216 1410 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.216 1410 G C 1.638 176.501 174.900 -0.062 0.000 1.154 1410 G CA 0.863 45.932 45.100 -0.050 0.000 0.784 1410 G HN 0.533 nan 8.290 nan 0.000 0.538 1411 K N 0.128 120.498 120.400 -0.051 0.000 2.103 1411 K HA -0.037 4.283 4.320 -0.000 0.000 0.207 1411 K C 2.705 179.273 176.600 -0.052 0.000 1.048 1411 K CA 0.712 56.966 56.287 -0.054 0.000 0.930 1411 K CB -0.121 32.352 32.500 -0.044 0.000 0.716 1411 K HN 0.121 nan 8.250 nan 0.000 0.444 1412 R N 0.668 121.142 120.500 -0.044 0.000 2.092 1412 R HA -0.101 4.239 4.340 -0.000 0.000 0.231 1412 R C 2.378 178.647 176.300 -0.052 0.000 1.119 1412 R CA 0.784 56.860 56.100 -0.040 0.000 0.970 1412 R CB -0.552 29.730 30.300 -0.029 0.000 0.864 1412 R HN 0.161 nan 8.270 nan 0.000 0.440 1413 L N 1.160 122.342 121.223 -0.069 0.000 2.093 1413 L HA -0.089 4.251 4.340 -0.000 0.000 0.208 1413 L C 2.155 178.974 176.870 -0.085 0.000 1.085 1413 L CA 1.395 56.178 54.840 -0.094 0.000 0.755 1413 L CB -0.425 41.559 42.059 -0.125 0.000 0.904 1413 L HN 0.125 nan 8.230 nan 0.000 0.435 1414 L N -0.824 120.348 121.223 -0.085 0.000 2.093 1414 L HA -0.204 4.136 4.340 -0.000 0.000 0.208 1414 L C 2.365 179.198 176.870 -0.061 0.000 1.085 1414 L CA 1.599 56.388 54.840 -0.085 0.000 0.755 1414 L CB -0.226 41.775 42.059 -0.097 0.000 0.904 1414 L HN 0.426 nan 8.230 nan 0.000 0.435 1415 E N -0.525 119.644 120.200 -0.052 0.000 2.150 1415 E HA -0.275 4.075 4.350 -0.000 0.000 0.193 1415 E C 1.846 178.437 176.600 -0.014 0.000 0.985 1415 E CA 1.020 57.398 56.400 -0.036 0.000 0.814 1415 E CB 0.105 29.785 29.700 -0.033 0.000 0.752 1415 E HN 0.351 nan 8.360 nan 0.000 0.466 1416 E N 1.351 121.547 120.200 -0.006 0.000 2.158 1416 E HA -0.175 4.175 4.350 -0.000 0.000 0.191 1416 E C 1.506 178.178 176.600 0.119 0.000 0.982 1416 E CA 1.164 57.590 56.400 0.043 0.000 0.823 1416 E CB -0.079 29.628 29.700 0.012 0.000 0.766 1416 E HN 0.105 nan 8.360 nan 0.000 0.468 1417 D N -0.426 120.012 120.400 0.063 0.000 2.144 1417 D HA -0.101 4.539 4.640 -0.000 0.000 0.199 1417 D C 1.318 177.647 176.300 0.050 0.000 0.984 1417 D CA 0.807 54.861 54.000 0.090 0.000 0.834 1417 D CB -0.012 40.791 40.800 0.004 0.000 0.955 1417 D HN 0.268 nan 8.370 nan 0.000 0.465 1418 L N -0.393 120.836 121.223 0.011 0.000 2.645 1418 L HA 0.186 4.526 4.340 -0.000 0.000 0.235 1418 L C 1.617 178.478 176.870 -0.015 0.000 1.150 1418 L CA 0.100 54.943 54.840 0.006 0.000 0.911 1418 L CB 0.011 42.060 42.059 -0.017 0.000 1.077 1418 L HN -0.100 nan 8.230 nan 0.000 0.438 1419 R N -1.322 119.145 120.500 -0.055 0.000 2.543 1419 R HA 0.175 4.515 4.340 -0.000 0.000 0.323 1419 R C 0.652 176.736 176.300 -0.359 0.000 1.002 1419 R CA -0.075 55.954 56.100 -0.118 0.000 1.106 1419 R CB 0.670 30.941 30.300 -0.048 0.000 1.280 1419 R HN 0.028 nan 8.270 nan 0.000 0.549 1420 S N 0.331 115.796 115.700 -0.392 0.000 2.603 1420 S HA 0.185 4.655 4.470 -0.000 0.000 0.268 1420 S C -1.669 172.766 174.600 -0.274 0.000 1.317 1420 S CA -1.571 56.289 58.200 -0.568 0.000 1.012 1420 S CB 1.065 64.171 63.200 -0.157 0.000 0.926 1420 S HN 0.009 nan 8.310 nan 0.000 0.539 1421 P HA -0.099 nan 4.420 nan 0.000 0.215 1421 P C 1.671 178.925 177.300 -0.077 0.000 1.157 1421 P CA 1.365 64.397 63.100 -0.112 0.000 0.868 1421 P CB -0.279 31.379 31.700 -0.070 0.000 0.788 1422 C N -2.779 116.490 119.300 -0.051 0.000 2.419 1422 C HA -0.086 4.374 4.460 -0.000 0.000 0.281 1422 C C 2.414 177.372 174.990 -0.052 0.000 1.336 1422 C CA 1.167 60.162 59.018 -0.039 0.000 1.770 1422 C CB -2.149 25.594 27.740 0.004 0.000 1.929 1422 C HN 0.197 nan 8.230 nan 0.000 0.509 1423 T N 1.300 115.836 114.554 -0.030 0.000 2.635 1423 T HA -0.268 4.082 4.350 -0.000 0.000 0.267 1423 T C 1.746 176.413 174.700 -0.055 0.000 1.040 1423 T CA 2.284 64.393 62.100 0.015 0.000 1.156 1423 T CB -0.466 68.435 68.868 0.056 0.000 0.863 1423 T HN 0.833 nan 8.240 nan 0.000 0.430 1424 E N 0.985 121.147 120.200 -0.064 0.000 2.110 1424 E HA -0.181 4.169 4.350 -0.000 0.000 0.193 1424 E C 2.109 178.636 176.600 -0.121 0.000 0.988 1424 E CA 1.126 57.472 56.400 -0.091 0.000 0.804 1424 E CB -0.046 29.602 29.700 -0.086 0.000 0.745 1424 E HN 0.591 nan 8.360 nan 0.000 0.458 1425 E N 0.325 120.462 120.200 -0.105 0.000 2.118 1425 E HA -0.198 4.152 4.350 -0.000 0.000 0.195 1425 E C 2.150 178.682 176.600 -0.113 0.000 0.992 1425 E CA 1.378 57.719 56.400 -0.097 0.000 0.804 1425 E CB -0.087 29.559 29.700 -0.090 0.000 0.741 1425 E HN 0.426 nan 8.360 nan 0.000 0.458 1426 I N 0.913 121.375 120.570 -0.179 0.000 2.193 1426 I HA -0.225 3.945 4.170 -0.000 0.000 0.240 1426 I C 2.600 178.508 176.117 -0.348 0.000 1.084 1426 I CA 0.824 61.969 61.300 -0.258 0.000 1.365 1426 I CB -0.395 37.341 38.000 -0.441 0.000 1.064 1426 I HN 0.078 nan 8.210 nan 0.000 0.410 1427 A N 0.685 123.234 122.820 -0.451 0.000 1.892 1427 A HA -0.180 4.140 4.320 -0.000 0.000 0.218 1427 A C 2.423 179.838 177.584 -0.282 0.000 1.188 1427 A CA 2.045 53.864 52.037 -0.364 0.000 0.631 1427 A CB -1.057 17.832 19.000 -0.187 0.000 0.822 1427 A HN 0.261 nan 8.150 nan 0.000 0.447 1428 V N -1.403 118.357 119.914 -0.256 0.000 2.427 1428 V HA -0.225 3.895 4.120 -0.000 0.000 0.248 1428 V C 2.246 178.090 176.094 -0.417 0.000 1.051 1428 V CA 1.944 64.018 62.300 -0.377 0.000 1.048 1428 V CB -0.924 30.750 31.823 -0.248 0.000 0.666 1428 V HN 0.652 nan 8.190 nan 0.000 0.456 1429 F N 0.809 120.589 119.950 -0.283 0.000 2.102 1429 F HA -0.244 4.283 4.527 -0.000 0.000 0.298 1429 F C 2.684 178.393 175.800 -0.152 0.000 1.105 1429 F CA 1.847 59.768 58.000 -0.133 0.000 1.239 1429 F CB -0.040 38.900 39.000 -0.101 0.000 0.991 1429 F HN 0.135 nan 8.300 nan 0.000 0.474 1430 Q N 0.261 119.882 119.800 -0.298 0.000 2.124 1430 Q HA -0.190 4.150 4.340 -0.000 0.000 0.202 1430 Q C 2.337 178.145 176.000 -0.319 0.000 0.977 1430 Q CA 1.271 56.863 55.803 -0.351 0.000 0.850 1430 Q CB -0.515 28.085 28.738 -0.230 0.000 0.901 1430 Q HN 0.549 nan 8.270 nan 0.000 0.429 1431 A N 0.011 122.611 122.820 -0.366 0.000 2.178 1431 A HA -0.079 4.241 4.320 -0.000 0.000 0.218 1431 A C 1.426 178.850 177.584 -0.266 0.000 1.157 1431 A CA 0.807 52.633 52.037 -0.352 0.000 0.689 1431 A CB -0.508 18.215 19.000 -0.462 0.000 0.787 1431 A HN 0.364 nan 8.150 nan 0.000 0.465 1432 F N -0.393 119.437 119.950 -0.200 0.000 2.721 1432 F HA -0.026 4.501 4.527 -0.000 0.000 0.301 1432 F C 2.513 178.163 175.800 -0.251 0.000 1.096 1432 F CA 0.238 58.118 58.000 -0.199 0.000 1.308 1432 F CB 0.250 39.151 39.000 -0.166 0.000 1.086 1432 F HN 0.341 nan 8.300 nan 0.000 0.587 1433 S N 1.050 116.653 115.700 -0.161 0.000 2.402 1433 S HA -0.317 4.153 4.470 -0.000 0.000 0.233 1433 S C 2.074 176.608 174.600 -0.110 0.000 1.030 1433 S CA 1.354 59.428 58.200 -0.209 0.000 1.003 1433 S CB -0.639 62.410 63.200 -0.251 0.000 0.813 1433 S HN 0.492 nan 8.310 nan 0.000 0.477 1434 R N 1.268 121.728 120.500 -0.066 0.000 2.073 1434 R HA -0.082 4.258 4.340 -0.000 0.000 0.234 1434 R C 2.427 178.706 176.300 -0.036 0.000 1.134 1434 R CA 1.942 58.018 56.100 -0.040 0.000 0.952 1434 R CB -0.636 29.656 30.300 -0.014 0.000 0.850 1434 R HN 0.545 nan 8.270 nan 0.000 0.433 1435 V N -1.433 118.452 119.914 -0.048 0.000 2.591 1435 V HA -0.044 4.076 4.120 -0.000 0.000 0.249 1435 V C 2.198 178.215 176.094 -0.127 0.000 1.053 1435 V CA 1.184 63.416 62.300 -0.113 0.000 1.068 1435 V CB -0.529 31.100 31.823 -0.324 0.000 0.689 1435 V HN 0.252 nan 8.190 nan 0.000 0.462 1436 I N 0.599 121.103 120.570 -0.111 0.000 2.315 1436 I HA -0.232 3.938 4.170 -0.000 0.000 0.251 1436 I C 2.921 178.999 176.117 -0.065 0.000 1.125 1436 I CA 1.860 63.107 61.300 -0.089 0.000 1.392 1436 I CB -0.419 37.528 38.000 -0.087 0.000 1.065 1436 I HN 0.296 nan 8.210 nan 0.000 0.424 1437 R N 0.645 121.108 120.500 -0.062 0.000 2.280 1437 R HA -0.092 4.248 4.340 -0.000 0.000 0.207 1437 R C 1.510 177.779 176.300 -0.051 0.000 1.043 1437 R CA 0.620 56.690 56.100 -0.051 0.000 1.006 1437 R CB -0.196 30.076 30.300 -0.046 0.000 0.885 1437 R HN 0.497 nan 8.270 nan 0.000 0.467 1438 E N 0.603 120.776 120.200 -0.046 0.000 2.502 1438 E HA -0.007 4.343 4.350 -0.000 0.000 0.194 1438 E C 1.495 178.062 176.600 -0.054 0.000 1.062 1438 E CA 0.256 56.636 56.400 -0.034 0.000 0.867 1438 E CB 0.235 29.951 29.700 0.026 0.000 0.888 1438 E HN 0.304 nan 8.360 nan 0.000 0.510 1439 A N 0.900 123.689 122.820 -0.053 0.000 2.172 1439 A HA -0.035 4.285 4.320 -0.000 0.000 0.216 1439 A C 2.190 179.734 177.584 -0.067 0.000 1.154 1439 A CA 1.219 53.235 52.037 -0.035 0.000 0.701 1439 A CB -0.488 18.506 19.000 -0.010 0.000 0.789 1439 A HN 0.341 nan 8.150 nan 0.000 0.465 1440 G N 0.357 109.067 108.800 -0.150 0.000 2.430 1440 G HA2 -0.092 3.868 3.960 -0.000 0.000 0.216 1440 G HA3 -0.092 3.868 3.960 -0.000 0.000 0.216 1440 G C 1.490 175.995 174.900 -0.658 0.000 1.146 1440 G CA 0.967 45.879 45.100 -0.314 0.000 0.793 1440 G HN 0.608 nan 8.290 nan 0.000 0.537 1441 K N 0.258 120.430 120.400 -0.381 0.000 2.373 1441 K HA 0.195 4.515 4.320 -0.000 0.000 0.200 1441 K C 0.819 177.301 176.600 -0.196 0.000 1.054 1441 K CA -0.176 55.914 56.287 -0.330 0.000 1.065 1441 K CB 0.613 33.007 32.500 -0.176 0.000 0.886 1441 K HN 0.535 nan 8.250 nan 0.000 0.546 1442 R N -1.045 119.367 120.500 -0.147 0.000 2.829 1442 R HA 0.445 4.785 4.340 -0.000 0.000 0.267 1442 R C -1.368 174.830 176.300 -0.169 0.000 1.051 1442 R CA -0.915 55.103 56.100 -0.136 0.000 0.927 1442 R CB 0.134 30.430 30.300 -0.007 0.000 1.292 1442 R HN -0.161 nan 8.270 nan 0.000 0.445 1443 F N 0.987 120.980 119.950 0.071 0.000 2.424 1443 F HA 0.408 4.935 4.527 -0.000 0.000 0.356 1443 F C -0.060 175.745 175.800 0.008 0.000 1.110 1443 F CA -0.634 57.375 58.000 0.015 0.000 1.161 1443 F CB 1.897 40.885 39.000 -0.021 0.000 1.115 1443 F HN 0.038 nan 8.300 nan 0.000 0.507 1444 V N 5.172 125.173 119.914 0.145 0.000 2.384 1444 V HA 0.403 4.523 4.120 -0.000 0.000 0.287 1444 V C -0.389 175.698 176.094 -0.011 0.000 1.020 1444 V CA -0.778 61.533 62.300 0.018 0.000 0.850 1444 V CB 1.544 33.326 31.823 -0.069 0.000 0.987 1444 V HN 0.447 nan 8.190 nan 0.000 0.436 1445 V N 6.306 126.191 119.914 -0.049 0.000 2.384 1445 V HA 0.541 4.661 4.120 -0.000 0.000 0.287 1445 V C -0.057 175.953 176.094 -0.139 0.000 1.020 1445 V CA -0.420 61.838 62.300 -0.070 0.000 0.850 1445 V CB 1.559 33.355 31.823 -0.045 0.000 0.987 1445 V HN 0.814 nan 8.190 nan 0.000 0.436 1446 M N 3.856 123.381 119.600 -0.126 0.000 2.456 1446 M HA 0.437 4.917 4.480 -0.000 0.000 0.324 1446 M C -0.140 176.114 176.300 -0.076 0.000 1.124 1446 M CA -0.633 54.573 55.300 -0.157 0.000 0.959 1446 M CB 2.151 34.682 32.600 -0.114 0.000 1.692 1446 M HN 0.798 nan 8.290 nan 0.000 0.444 1447 D N 0.099 120.465 120.400 -0.056 0.000 2.427 1447 D HA 0.142 4.782 4.640 -0.000 0.000 0.224 1447 D C -0.159 176.144 176.300 0.005 0.000 1.157 1447 D CA 0.067 54.055 54.000 -0.020 0.000 0.828 1447 D CB 0.488 41.280 40.800 -0.014 0.000 0.974 1447 D HN 0.534 nan 8.370 nan 0.000 0.498 1448 T N -1.474 113.096 114.554 0.027 0.000 2.831 1448 T HA 0.590 4.940 4.350 -0.000 0.000 0.333 1448 T C -2.235 172.488 174.700 0.038 0.000 1.684 1448 T CA -0.097 62.019 62.100 0.026 0.000 1.049 1448 T CB 1.085 69.982 68.868 0.048 0.000 1.518 1448 T HN 0.340 nan 8.240 nan 0.000 0.491 1449 A N 3.048 125.846 122.820 -0.037 0.000 2.610 1449 A HA 0.895 5.215 4.320 -0.000 0.000 0.291 1449 A C -3.164 174.299 177.584 -0.201 0.000 1.086 1449 A CA -1.164 50.792 52.037 -0.134 0.000 0.677 1449 A CB 1.055 19.950 19.000 -0.176 0.000 1.278 1449 A HN 0.635 nan 8.150 nan 0.000 0.414 1450 P HA 0.413 nan 4.420 nan 0.000 0.277 1450 P C 0.218 177.391 177.300 -0.212 0.000 1.276 1450 P CA -0.072 62.871 63.100 -0.263 0.000 0.788 1450 P CB 0.425 31.920 31.700 -0.342 0.000 1.114 1451 T N -3.279 111.192 114.554 -0.137 0.000 2.828 1451 T HA 0.287 4.637 4.350 -0.000 0.000 0.290 1451 T C 1.605 176.248 174.700 -0.095 0.000 1.019 1451 T CA -0.091 61.958 62.100 -0.086 0.000 1.031 1451 T CB 0.490 69.354 68.868 -0.006 0.000 1.001 1451 T HN 0.442 nan 8.240 nan 0.000 0.531 1452 G N -0.094 108.670 108.800 -0.061 0.000 2.442 1452 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.219 1452 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.219 1452 G C 1.328 176.210 174.900 -0.029 0.000 1.141 1452 G CA 1.284 46.349 45.100 -0.058 0.000 0.763 1452 G HN 1.057 nan 8.290 nan 0.000 0.554 1453 H N 0.832 119.864 119.070 -0.063 0.000 2.290 1453 H HA -0.075 4.480 4.556 -0.000 0.000 0.298 1453 H C 2.543 177.844 175.328 -0.046 0.000 1.087 1453 H CA 2.405 58.426 56.048 -0.045 0.000 1.291 1453 H CB -0.565 29.174 29.762 -0.039 0.000 1.369 1453 H HN 0.222 nan 8.280 nan 0.000 0.492 1454 T N 1.235 115.587 114.554 -0.338 0.000 2.821 1454 T HA -0.082 4.268 4.350 -0.000 0.000 0.267 1454 T C 1.980 176.533 174.700 -0.244 0.000 1.046 1454 T CA 1.046 62.927 62.100 -0.364 0.000 1.139 1454 T CB -0.221 68.532 68.868 -0.191 0.000 0.871 1454 T HN 0.101 nan 8.240 nan 0.000 0.454 1455 L N 0.877 121.982 121.223 -0.197 0.000 2.046 1455 L HA 0.052 4.392 4.340 -0.000 0.000 0.208 1455 L C 2.333 179.142 176.870 -0.101 0.000 1.077 1455 L CA 1.381 56.131 54.840 -0.150 0.000 0.747 1455 L CB -1.328 40.633 42.059 -0.163 0.000 0.896 1455 L HN 0.295 nan 8.230 nan 0.000 0.432 1456 L N -1.723 119.434 121.223 -0.110 0.000 2.079 1456 L HA -0.250 4.089 4.340 -0.000 0.000 0.210 1456 L C 2.431 179.251 176.870 -0.084 0.000 1.081 1456 L CA 0.595 55.392 54.840 -0.072 0.000 0.752 1456 L CB -0.446 41.585 42.059 -0.046 0.000 0.896 1456 L HN 0.232 nan 8.230 nan 0.000 0.433 1457 L N -0.562 120.563 121.223 -0.164 0.000 2.027 1457 L HA -0.182 4.158 4.340 -0.000 0.000 0.206 1457 L C 2.307 179.140 176.870 -0.062 0.000 1.074 1457 L CA 1.685 56.442 54.840 -0.138 0.000 0.745 1457 L CB -0.497 41.411 42.059 -0.252 0.000 0.898 1457 L HN 0.124 nan 8.230 nan 0.000 0.433 1458 L N -0.902 120.288 121.223 -0.055 0.000 2.131 1458 L HA -0.201 4.139 4.340 -0.000 0.000 0.210 1458 L C 1.682 178.563 176.870 0.020 0.000 1.092 1458 L CA 1.223 56.066 54.840 0.005 0.000 0.759 1458 L CB -0.418 41.660 42.059 0.031 0.000 0.903 1458 L HN 0.285 nan 8.230 nan 0.000 0.435 1459 D N 0.136 120.539 120.400 0.005 0.000 2.363 1459 D HA -0.025 4.615 4.640 -0.000 0.000 0.226 1459 D C 1.239 177.546 176.300 0.013 0.000 1.020 1459 D CA 0.302 54.312 54.000 0.015 0.000 0.892 1459 D CB 0.258 41.065 40.800 0.011 0.000 0.900 1459 D HN 0.194 nan 8.370 nan 0.000 0.531 1460 A N 0.123 122.948 122.820 0.008 0.000 3.105 1460 A HA 0.430 4.750 4.320 -0.000 0.000 0.272 1460 A C 0.116 177.710 177.584 0.018 0.000 1.466 1460 A CA -0.204 51.840 52.037 0.011 0.000 1.101 1460 A CB -0.228 18.776 19.000 0.006 0.000 1.065 1460 A HN 0.156 nan 8.150 nan 0.000 0.643 1480 T N 3.132 117.702 114.554 0.027 0.000 2.761 1480 T HA 0.535 4.885 4.350 -0.000 0.000 0.296 1480 T C -2.114 172.622 174.700 0.061 0.000 0.934 1480 T CA -1.201 60.941 62.100 0.069 0.000 1.091 1480 T CB 0.012 68.945 68.868 0.109 0.000 0.896 1480 T HN 0.597 nan 8.240 nan 0.000 0.515 1481 P HA 0.221 nan 4.420 nan 0.000 0.219 1481 P C 1.163 178.511 177.300 0.079 0.000 1.847 1481 P CA -0.555 62.578 63.100 0.055 0.000 1.059 1481 P CB 0.419 32.138 31.700 0.031 0.000 1.900 1482 M N 1.000 120.640 119.600 0.067 0.000 2.108 1482 M HA -0.108 4.372 4.480 -0.000 0.000 0.261 1482 M C 1.963 178.293 176.300 0.050 0.000 1.066 1482 M CA 1.751 57.084 55.300 0.056 0.000 1.107 1482 M CB -0.808 31.815 32.600 0.038 0.000 1.356 1482 M HN 0.241 nan 8.290 nan 0.000 0.406 1483 M N -0.549 119.077 119.600 0.043 0.000 2.106 1483 M HA -0.247 4.233 4.480 -0.000 0.000 0.259 1483 M C 2.235 178.561 176.300 0.044 0.000 1.068 1483 M CA 1.520 56.844 55.300 0.040 0.000 1.100 1483 M CB -1.155 31.465 32.600 0.032 0.000 1.351 1483 M HN 0.267 nan 8.290 nan 0.000 0.404 1484 L N 0.951 122.200 121.223 0.045 0.000 2.017 1484 L HA -0.130 4.210 4.340 -0.000 0.000 0.208 1484 L C 2.139 179.041 176.870 0.053 0.000 1.073 1484 L CA 1.742 56.608 54.840 0.045 0.000 0.745 1484 L CB -0.754 41.330 42.059 0.042 0.000 0.894 1484 L HN 0.225 nan 8.230 nan 0.000 0.432 1485 L N -0.948 120.314 121.223 0.066 0.000 2.131 1485 L HA -0.198 4.142 4.340 -0.000 0.000 0.210 1485 L C 2.475 179.376 176.870 0.052 0.000 1.092 1485 L CA 1.199 56.075 54.840 0.060 0.000 0.759 1485 L CB -0.587 41.507 42.059 0.058 0.000 0.903 1485 L HN 0.410 nan 8.230 nan 0.000 0.435 1486 Q N -0.910 118.923 119.800 0.056 0.000 2.435 1486 Q HA -0.055 4.285 4.340 -0.000 0.000 0.207 1486 Q C 0.304 176.357 176.000 0.089 0.000 0.956 1486 Q CA 0.128 55.975 55.803 0.073 0.000 0.917 1486 Q CB 0.101 28.879 28.738 0.066 0.000 0.997 1486 Q HN 0.273 nan 8.270 nan 0.000 0.497 1487 D N 0.889 121.330 120.400 0.068 0.000 2.352 1487 D HA 0.055 4.695 4.640 -0.000 0.000 0.245 1487 D C -1.904 174.433 176.300 0.062 0.000 1.224 1487 D CA -2.107 51.929 54.000 0.061 0.000 0.879 1487 D CB 1.413 42.239 40.800 0.044 0.000 1.057 1487 D HN -0.078 nan 8.370 nan 0.000 0.491 1488 P HA -0.148 nan 4.420 nan 0.000 0.217 1488 P C 1.015 178.343 177.300 0.047 0.000 1.148 1488 P CA 0.966 64.122 63.100 0.094 0.000 0.828 1488 P CB 0.522 32.286 31.700 0.107 0.000 0.783 1489 E N -0.220 119.998 120.200 0.030 0.000 2.005 1489 E HA -0.092 4.258 4.350 -0.000 0.000 0.191 1489 E C 2.062 178.644 176.600 -0.030 0.000 0.987 1489 E CA 1.164 57.564 56.400 -0.000 0.000 0.814 1489 E CB -0.721 28.985 29.700 0.010 0.000 0.772 1489 E HN 0.273 nan 8.360 nan 0.000 0.453 1490 R N 0.338 120.836 120.500 -0.003 0.000 2.152 1490 R HA -0.000 4.340 4.340 -0.000 0.000 0.232 1490 R C 0.538 176.830 176.300 -0.012 0.000 1.117 1490 R CA 0.923 57.025 56.100 0.003 0.000 0.981 1490 R CB -0.052 30.264 30.300 0.026 0.000 0.870 1490 R HN 0.021 nan 8.270 nan 0.000 0.451 1491 T N 0.599 115.143 114.554 -0.017 0.000 2.881 1491 T HA 0.362 4.712 4.350 -0.000 0.000 0.290 1491 T C -0.814 173.851 174.700 -0.058 0.000 1.000 1491 T CA -0.806 61.279 62.100 -0.025 0.000 0.978 1491 T CB 2.329 71.208 68.868 0.018 0.000 0.997 1491 T HN -0.064 nan 8.240 nan 0.000 0.443 1492 K N 2.383 122.711 120.400 -0.119 0.000 2.559 1492 K HA 0.551 4.871 4.320 -0.000 0.000 0.249 1492 K C -1.055 175.532 176.600 -0.022 0.000 0.958 1492 K CA -0.679 55.510 56.287 -0.162 0.000 0.901 1492 K CB 2.112 34.242 32.500 -0.616 0.000 1.124 1492 K HN 0.300 nan 8.250 nan 0.000 0.437 1493 V N 5.117 125.087 119.914 0.093 0.000 2.432 1493 V HA 0.280 4.400 4.120 -0.000 0.000 0.275 1493 V C -0.110 176.066 176.094 0.137 0.000 1.043 1493 V CA -0.599 61.747 62.300 0.077 0.000 0.925 1493 V CB 0.939 32.794 31.823 0.054 0.000 0.985 1493 V HN 0.606 nan 8.190 nan 0.000 0.466 1494 L N 5.895 127.165 121.223 0.077 0.000 2.294 1494 L HA 0.427 4.767 4.340 -0.000 0.000 0.283 1494 L C -0.566 176.269 176.870 -0.058 0.000 1.015 1494 L CA -0.687 54.204 54.840 0.084 0.000 0.831 1494 L CB 1.529 43.652 42.059 0.106 0.000 1.217 1494 L HN 0.422 nan 8.230 nan 0.000 0.420 1495 L N 4.964 126.073 121.223 -0.190 0.000 2.319 1495 L HA 0.346 4.686 4.340 -0.000 0.000 0.280 1495 L C -0.171 176.464 176.870 -0.391 0.000 1.099 1495 L CA 0.161 54.729 54.840 -0.453 0.000 0.828 1495 L CB 1.493 42.940 42.059 -1.020 0.000 1.150 1495 L HN 0.193 nan 8.230 nan 0.000 0.442 1496 V N 4.587 124.332 119.914 -0.282 0.000 2.435 1496 V HA 0.722 4.842 4.120 -0.000 0.000 0.290 1496 V C 0.266 176.247 176.094 -0.188 0.000 1.030 1496 V CA -0.348 61.849 62.300 -0.172 0.000 0.881 1496 V CB 1.486 33.252 31.823 -0.095 0.000 0.983 1496 V HN 0.910 nan 8.190 nan 0.000 0.445 1497 T N 4.318 118.808 114.554 -0.107 0.000 2.647 1497 T HA 0.731 5.081 4.350 -0.000 0.000 0.295 1497 T C -1.570 173.133 174.700 0.006 0.000 1.126 1497 T CA -0.443 61.617 62.100 -0.067 0.000 1.040 1497 T CB 1.372 70.199 68.868 -0.069 0.000 1.472 1497 T HN 0.397 nan 8.240 nan 0.000 0.500 1498 L N 2.247 123.485 121.223 0.025 0.000 2.333 1498 L HA 0.554 4.894 4.340 -0.000 0.000 0.269 1498 L C -1.907 175.001 176.870 0.063 0.000 1.010 1498 L CA -2.372 52.490 54.840 0.037 0.000 0.818 1498 L CB 2.344 44.416 42.059 0.022 0.000 1.306 1498 L HN 0.483 nan 8.230 nan 0.000 0.430 1499 P HA 0.095 nan 4.420 nan 0.000 0.237 1499 P C -0.915 176.416 177.300 0.052 0.000 1.723 1499 P CA 0.158 63.295 63.100 0.061 0.000 0.882 1499 P CB -0.079 31.648 31.700 0.046 0.000 1.810 1500 E N -0.933 119.300 120.200 0.055 0.000 2.317 1500 E HA 0.190 4.540 4.350 -0.000 0.000 0.270 1500 E C 1.230 177.861 176.600 0.052 0.000 0.885 1500 E CA -0.683 55.743 56.400 0.044 0.000 0.760 1500 E CB 1.310 31.029 29.700 0.032 0.000 1.227 1500 E HN -0.055 nan 8.360 nan 0.000 0.434 1501 T N -0.697 113.883 114.554 0.044 0.000 2.536 1501 T HA -0.300 4.050 4.350 -0.000 0.000 0.263 1501 T C 1.757 176.484 174.700 0.045 0.000 1.115 1501 T CA 2.321 64.449 62.100 0.047 0.000 1.180 1501 T CB -0.896 67.993 68.868 0.034 0.000 0.864 1501 T HN 0.423 nan 8.240 nan 0.000 0.419 1502 T N 3.305 117.879 114.554 0.033 0.000 2.607 1502 T HA -0.037 4.313 4.350 -0.000 0.000 0.267 1502 T C -0.251 174.462 174.700 0.022 0.000 1.049 1502 T CA 1.942 64.058 62.100 0.027 0.000 1.162 1502 T CB -1.482 67.400 68.868 0.022 0.000 0.863 1502 T HN 0.410 nan 8.240 nan 0.000 0.424 1503 P HA -0.067 nan 4.420 nan 0.000 0.216 1503 P C 1.658 178.968 177.300 0.016 0.000 1.153 1503 P CA 0.681 63.786 63.100 0.008 0.000 0.858 1503 P CB -0.219 31.489 31.700 0.013 0.000 0.789 1504 V N -0.480 119.471 119.914 0.061 0.000 2.295 1504 V HA -0.231 3.889 4.120 -0.000 0.000 0.246 1504 V C 2.417 178.532 176.094 0.034 0.000 1.049 1504 V CA 1.687 64.057 62.300 0.116 0.000 1.024 1504 V CB -1.247 30.674 31.823 0.164 0.000 0.648 1504 V HN 0.076 nan 8.190 nan 0.000 0.447 1505 L N -0.092 121.144 121.223 0.021 0.000 2.042 1505 L HA -0.238 4.102 4.340 -0.000 0.000 0.210 1505 L C 2.517 179.376 176.870 -0.020 0.000 1.076 1505 L CA 2.027 56.866 54.840 -0.002 0.000 0.749 1505 L CB -0.360 41.713 42.059 0.023 0.000 0.893 1505 L HN 0.383 nan 8.230 nan 0.000 0.432 1506 E N -0.213 119.975 120.200 -0.020 0.000 2.072 1506 E HA -0.199 4.151 4.350 -0.000 0.000 0.191 1506 E C 2.224 178.779 176.600 -0.075 0.000 0.985 1506 E CA 1.006 57.383 56.400 -0.038 0.000 0.801 1506 E CB -0.277 29.402 29.700 -0.036 0.000 0.750 1506 E HN 0.695 nan 8.360 nan 0.000 0.452 1507 A N 1.629 124.384 122.820 -0.110 0.000 1.902 1507 A HA -0.143 4.177 4.320 -0.000 0.000 0.217 1507 A C 2.415 179.926 177.584 -0.121 0.000 1.181 1507 A CA 1.749 53.632 52.037 -0.256 0.000 0.623 1507 A CB -0.689 18.020 19.000 -0.483 0.000 0.818 1507 A HN 0.293 nan 8.150 nan 0.000 0.443 1508 A N 0.120 122.958 122.820 0.030 0.000 1.933 1508 A HA -0.229 4.091 4.320 -0.000 0.000 0.218 1508 A C 1.917 179.523 177.584 0.036 0.000 1.175 1508 A CA 1.772 53.838 52.037 0.048 0.000 0.628 1508 A CB -0.871 17.966 19.000 -0.273 0.000 0.814 1508 A HN 0.738 nan 8.150 nan 0.000 0.444 1509 N N -0.628 118.068 118.700 -0.005 0.000 2.106 1509 N HA -0.122 4.618 4.740 -0.000 0.000 0.188 1509 N C 1.531 177.034 175.510 -0.012 0.000 1.029 1509 N CA 1.116 54.164 53.050 -0.003 0.000 0.848 1509 N CB -0.213 38.265 38.487 -0.015 0.000 1.007 1509 N HN 0.275 nan 8.380 nan 0.000 0.423 1510 L N 1.774 122.972 121.223 -0.042 0.000 2.081 1510 L HA -0.226 4.114 4.340 -0.000 0.000 0.212 1510 L C 2.486 179.331 176.870 -0.042 0.000 1.080 1510 L CA 1.630 56.432 54.840 -0.062 0.000 0.754 1510 L CB -0.764 41.224 42.059 -0.118 0.000 0.893 1510 L HN 0.264 nan 8.230 nan 0.000 0.433 1511 Q N -1.384 118.415 119.800 -0.002 0.000 2.123 1511 Q HA -0.160 4.180 4.340 -0.000 0.000 0.199 1511 Q C 2.167 178.198 176.000 0.051 0.000 0.966 1511 Q CA 1.401 57.242 55.803 0.063 0.000 0.845 1511 Q CB -0.053 28.831 28.738 0.243 0.000 0.907 1511 Q HN 0.510 nan 8.270 nan 0.000 0.439 1512 A N 0.817 123.668 122.820 0.052 0.000 1.902 1512 A HA -0.234 4.086 4.320 -0.000 0.000 0.217 1512 A C 1.730 179.318 177.584 0.006 0.000 1.181 1512 A CA 1.872 53.931 52.037 0.038 0.000 0.623 1512 A CB -0.820 18.204 19.000 0.040 0.000 0.818 1512 A HN 0.574 nan 8.150 nan 0.000 0.443 1513 D N -0.323 120.076 120.400 -0.002 0.000 2.117 1513 D HA -0.103 4.537 4.640 -0.000 0.000 0.197 1513 D C 1.836 178.120 176.300 -0.027 0.000 0.987 1513 D CA 1.128 55.123 54.000 -0.007 0.000 0.829 1513 D CB -0.176 40.621 40.800 -0.005 0.000 0.961 1513 D HN 0.414 nan 8.370 nan 0.000 0.460 1514 L N 0.179 121.375 121.223 -0.046 0.000 2.093 1514 L HA -0.093 4.247 4.340 -0.000 0.000 0.208 1514 L C 2.341 179.134 176.870 -0.129 0.000 1.085 1514 L CA 1.062 55.855 54.840 -0.078 0.000 0.755 1514 L CB -0.321 41.694 42.059 -0.072 0.000 0.904 1514 L HN 0.096 nan 8.230 nan 0.000 0.435 1515 E N -0.179 119.937 120.200 -0.139 0.000 2.150 1515 E HA -0.185 4.165 4.350 -0.000 0.000 0.193 1515 E C 2.268 178.783 176.600 -0.142 0.000 0.985 1515 E CA 0.673 56.921 56.400 -0.254 0.000 0.814 1515 E CB 0.053 29.670 29.700 -0.138 0.000 0.752 1515 E HN 0.419 nan 8.360 nan 0.000 0.466 1516 R N 0.305 120.770 120.500 -0.059 0.000 2.148 1516 R HA -0.022 4.318 4.340 -0.000 0.000 0.227 1516 R C 1.753 178.038 176.300 -0.025 0.000 1.103 1516 R CA 1.009 57.098 56.100 -0.019 0.000 0.983 1516 R CB -0.019 30.283 30.300 0.004 0.000 0.874 1516 R HN 0.003 nan 8.270 nan 0.000 0.451 1517 A N 0.219 123.009 122.820 -0.050 0.000 2.370 1517 A HA 0.310 4.630 4.320 -0.000 0.000 0.238 1517 A C 1.240 178.793 177.584 -0.052 0.000 1.289 1517 A CA 0.435 52.446 52.037 -0.043 0.000 0.885 1517 A CB -0.188 18.780 19.000 -0.052 0.000 0.961 1517 A HN 0.404 nan 8.150 nan 0.000 0.499 1518 G N -0.571 108.182 108.800 -0.078 0.000 2.166 1518 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.260 1518 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.260 1518 G C 0.079 174.924 174.900 -0.092 0.000 0.986 1518 G CA 0.635 45.707 45.100 -0.046 0.000 0.683 1518 G HN 0.564 nan 8.290 nan 0.000 0.527 1519 I N 1.692 122.142 120.570 -0.200 0.000 2.339 1519 I HA 0.356 4.526 4.170 -0.000 0.000 0.290 1519 I C 0.075 176.037 176.117 -0.259 0.000 0.994 1519 I CA -0.852 60.377 61.300 -0.117 0.000 1.191 1519 I CB 1.019 38.982 38.000 -0.062 0.000 1.343 1519 I HN 0.052 nan 8.210 nan 0.000 0.458 1520 H N 6.265 125.384 119.070 0.082 0.000 2.541 1520 H HA 0.305 4.861 4.556 -0.000 0.000 0.316 1520 H C -2.329 173.089 175.328 0.151 0.000 1.043 1520 H CA -2.007 54.106 56.048 0.108 0.000 1.232 1520 H CB 1.253 31.075 29.762 0.100 0.000 1.406 1520 H HN 0.253 nan 8.280 nan 0.000 0.469 1521 P HA -0.131 nan 4.420 nan 0.000 0.261 1521 P C 0.494 178.002 177.300 0.345 0.000 1.183 1521 P CA 0.225 63.486 63.100 0.269 0.000 0.761 1521 P CB 0.600 32.474 31.700 0.291 0.000 0.785 1522 W N 4.776 126.155 121.300 0.131 0.000 2.436 1522 W HA 0.128 4.788 4.660 -0.000 0.000 0.284 1522 W C 0.621 177.218 176.519 0.130 0.000 1.225 1522 W CA 1.799 59.209 57.345 0.109 0.000 1.271 1522 W CB 0.178 29.681 29.460 0.071 0.000 1.114 1522 W HN 0.445 nan 8.180 nan 0.000 0.559 1523 G N -2.306 106.700 108.800 0.344 0.000 2.576 1523 G HA2 0.405 4.365 3.960 -0.000 0.000 0.290 1523 G HA3 0.405 4.365 3.960 -0.000 0.000 0.290 1523 G C -2.435 172.724 174.900 0.431 0.000 1.442 1523 G CA -0.955 44.275 45.100 0.217 0.000 0.792 1523 G HN -0.043 nan 8.290 nan 0.000 0.491 1524 W N -0.235 121.066 121.300 0.001 0.000 2.736 1524 W HA 0.766 5.426 4.660 -0.000 0.000 0.335 1524 W C -0.333 176.192 176.519 0.010 0.000 1.059 1524 W CA -0.830 56.525 57.345 0.017 0.000 1.226 1524 W CB 1.899 31.366 29.460 0.013 0.000 1.416 1524 W HN 0.293 nan 8.180 nan 0.000 0.505 1525 I N 4.670 125.355 120.570 0.192 0.000 2.418 1525 I HA 0.335 4.505 4.170 -0.000 0.000 0.287 1525 I C -0.401 175.779 176.117 0.105 0.000 1.008 1525 I CA -0.849 60.521 61.300 0.116 0.000 1.104 1525 I CB 1.153 39.190 38.000 0.062 0.000 1.264 1525 I HN 0.141 nan 8.210 nan 0.000 0.438 1526 I N 6.175 126.810 120.570 0.108 0.000 2.287 1526 I HA 0.226 4.396 4.170 -0.000 0.000 0.290 1526 I C 0.311 176.460 176.117 0.054 0.000 1.069 1526 I CA -0.097 61.260 61.300 0.095 0.000 1.237 1526 I CB 0.327 38.389 38.000 0.103 0.000 1.418 1526 I HN 0.659 nan 8.210 nan 0.000 0.481 1527 N N 5.309 124.032 118.700 0.037 0.000 2.413 1527 N HA 0.146 4.886 4.740 -0.000 0.000 0.266 1527 N C 0.047 175.572 175.510 0.025 0.000 1.238 1527 N CA -0.520 52.545 53.050 0.025 0.000 0.972 1527 N CB 0.530 39.025 38.487 0.013 0.000 1.210 1527 N HN 0.538 nan 8.380 nan 0.000 0.547 1528 N N 0.631 119.344 118.700 0.021 0.000 2.667 1528 N HA -0.191 4.549 4.740 -0.000 0.000 0.263 1528 N C -1.414 174.111 175.510 0.025 0.000 1.038 1528 N CA 0.487 53.550 53.050 0.022 0.000 0.749 1528 N CB -0.970 37.528 38.487 0.019 0.000 0.892 1528 N HN 0.340 nan 8.380 nan 0.000 0.546 1529 S N 0.068 115.783 115.700 0.025 0.000 2.462 1529 S HA 0.534 5.004 4.470 -0.000 0.000 0.294 1529 S C 1.285 175.898 174.600 0.022 0.000 1.144 1529 S CA -0.743 57.472 58.200 0.024 0.000 1.088 1529 S CB 1.164 64.377 63.200 0.023 0.000 1.009 1529 S HN 0.335 nan 8.310 nan 0.000 0.484 1530 L N 3.761 124.997 121.223 0.022 0.000 2.477 1530 L HA 0.077 4.417 4.340 -0.000 0.000 0.220 1530 L C 2.366 179.246 176.870 0.017 0.000 1.106 1530 L CA 0.249 55.102 54.840 0.021 0.000 0.851 1530 L CB -0.298 41.775 42.059 0.023 0.000 0.994 1530 L HN 0.579 nan 8.230 nan 0.000 0.462 1531 S N 0.482 116.190 115.700 0.014 0.000 2.348 1531 S HA -0.176 4.294 4.470 -0.000 0.000 0.221 1531 S C 1.686 176.290 174.600 0.006 0.000 1.033 1531 S CA 1.290 59.495 58.200 0.008 0.000 1.010 1531 S CB -0.167 63.036 63.200 0.005 0.000 0.891 1531 S HN 0.366 nan 8.310 nan 0.000 0.442 1532 I N 1.178 121.752 120.570 0.008 0.000 3.684 1532 I HA 0.216 4.386 4.170 -0.000 0.000 0.308 1532 I C 0.102 176.227 176.117 0.013 0.000 1.263 1532 I CA -0.322 60.982 61.300 0.007 0.000 1.174 1532 I CB -0.487 37.516 38.000 0.005 0.000 1.021 1532 I HN 0.149 nan 8.210 nan 0.000 0.451 1533 A N 0.896 123.725 122.820 0.015 0.000 2.350 1533 A HA 0.486 4.806 4.320 -0.000 0.000 0.324 1533 A C -1.069 176.525 177.584 0.017 0.000 1.118 1533 A CA -0.788 51.260 52.037 0.019 0.000 0.783 1533 A CB 0.637 19.651 19.000 0.022 0.000 1.236 1533 A HN 0.361 nan 8.150 nan 0.000 0.457 1534 D N 1.256 121.667 120.400 0.018 0.000 2.316 1534 D HA 0.494 5.134 4.640 -0.000 0.000 0.245 1534 D C -0.316 175.994 176.300 0.017 0.000 1.171 1534 D CA -0.018 53.991 54.000 0.015 0.000 0.856 1534 D CB 1.198 42.007 40.800 0.015 0.000 1.090 1534 D HN 0.314 nan 8.370 nan 0.000 0.476 1535 T N 1.111 115.673 114.554 0.014 0.000 3.012 1535 T HA 0.380 4.730 4.350 -0.000 0.000 0.330 1535 T C 0.097 174.803 174.700 0.010 0.000 1.321 1535 T CA -0.708 61.400 62.100 0.015 0.000 1.067 1535 T CB 1.209 70.089 68.868 0.020 0.000 1.235 1535 T HN 0.271 nan 8.240 nan 0.000 0.479 1536 R N 1.428 121.933 120.500 0.007 0.000 2.265 1536 R HA 0.294 4.634 4.340 -0.000 0.000 0.194 1536 R C 0.962 177.263 176.300 0.002 0.000 0.931 1536 R CA 0.070 56.172 56.100 0.003 0.000 1.032 1536 R CB 0.264 30.563 30.300 -0.001 0.000 0.980 1536 R HN 0.531 nan 8.270 nan 0.000 0.497 1537 S N 2.756 118.460 115.700 0.006 0.000 2.629 1537 S HA 0.009 4.479 4.470 -0.000 0.000 0.302 1537 S C -1.334 173.269 174.600 0.006 0.000 1.244 1537 S CA -1.188 57.015 58.200 0.006 0.000 1.098 1537 S CB 0.624 63.834 63.200 0.017 0.000 0.858 1537 S HN 0.077 nan 8.310 nan 0.000 0.502 1538 P HA -0.147 nan 4.420 nan 0.000 0.218 1538 P C 1.517 178.819 177.300 0.004 0.000 1.148 1538 P CA 0.650 63.750 63.100 -0.001 0.000 0.822 1538 P CB 0.095 31.791 31.700 -0.007 0.000 0.784 1539 L N -0.786 120.442 121.223 0.008 0.000 2.044 1539 L HA -0.053 4.287 4.340 -0.000 0.000 0.205 1539 L C 2.400 179.284 176.870 0.023 0.000 1.075 1539 L CA 1.611 56.461 54.840 0.016 0.000 0.747 1539 L CB -1.622 40.451 42.059 0.023 0.000 0.903 1539 L HN -0.208 nan 8.230 nan 0.000 0.435 1540 L N -0.227 121.012 121.223 0.027 0.000 2.083 1540 L HA -0.144 4.196 4.340 -0.000 0.000 0.209 1540 L C 2.721 179.603 176.870 0.021 0.000 1.083 1540 L CA 1.598 56.456 54.840 0.029 0.000 0.752 1540 L CB -0.835 41.244 42.059 0.033 0.000 0.899 1540 L HN 0.259 nan 8.230 nan 0.000 0.433 1541 R N -1.856 118.653 120.500 0.015 0.000 2.092 1541 R HA -0.145 4.195 4.340 -0.000 0.000 0.231 1541 R C 2.135 178.441 176.300 0.009 0.000 1.119 1541 R CA 1.296 57.402 56.100 0.011 0.000 0.970 1541 R CB -0.355 29.949 30.300 0.006 0.000 0.864 1541 R HN 0.228 nan 8.270 nan 0.000 0.440 1542 M N 0.523 120.129 119.600 0.010 0.000 2.175 1542 M HA -0.089 4.391 4.480 -0.000 0.000 0.264 1542 M C 1.860 178.167 176.300 0.012 0.000 1.063 1542 M CA 1.602 56.907 55.300 0.009 0.000 1.119 1542 M CB 0.046 32.651 32.600 0.008 0.000 1.377 1542 M HN -0.152 nan 8.290 nan 0.000 0.415 1543 R N -0.113 120.397 120.500 0.017 0.000 2.092 1543 R HA 0.075 4.415 4.340 -0.000 0.000 0.231 1543 R C 2.189 178.499 176.300 0.017 0.000 1.119 1543 R CA 1.484 57.595 56.100 0.020 0.000 0.970 1543 R CB -1.655 28.662 30.300 0.027 0.000 0.864 1543 R HN 0.506 nan 8.270 nan 0.000 0.440 1544 A N 0.813 123.643 122.820 0.015 0.000 1.972 1544 A HA -0.193 4.127 4.320 -0.000 0.000 0.219 1544 A C 2.127 179.716 177.584 0.009 0.000 1.169 1544 A CA 1.323 53.368 52.037 0.013 0.000 0.635 1544 A CB -0.424 18.583 19.000 0.012 0.000 0.810 1544 A HN 0.366 nan 8.150 nan 0.000 0.446 1545 Q N -1.025 118.779 119.800 0.007 0.000 2.224 1545 Q HA -0.157 4.183 4.340 -0.000 0.000 0.203 1545 Q C 1.765 177.767 176.000 0.004 0.000 0.970 1545 Q CA 1.051 56.855 55.803 0.003 0.000 0.865 1545 Q CB -0.009 28.730 28.738 0.001 0.000 0.922 1545 Q HN 0.631 nan 8.270 nan 0.000 0.445 1546 Q N 0.017 119.822 119.800 0.007 0.000 2.369 1546 Q HA -0.114 4.226 4.340 -0.000 0.000 0.206 1546 Q C 1.293 177.300 176.000 0.011 0.000 0.963 1546 Q CA 0.868 56.676 55.803 0.008 0.000 0.894 1546 Q CB 0.208 28.953 28.738 0.010 0.000 0.965 1546 Q HN 0.563 nan 8.270 nan 0.000 0.475 1547 E N 0.671 120.879 120.200 0.013 0.000 2.112 1547 E HA -0.046 4.304 4.350 -0.000 0.000 0.190 1547 E C 2.175 178.783 176.600 0.014 0.000 0.979 1547 E CA 0.215 56.625 56.400 0.017 0.000 0.814 1547 E CB -0.165 29.547 29.700 0.019 0.000 0.762 1547 E HN 0.226 nan 8.360 nan 0.000 0.460 1548 L N 1.037 122.263 121.223 0.006 0.000 2.030 1548 L HA -0.240 4.100 4.340 -0.000 0.000 0.222 1548 L C -0.439 176.429 176.870 -0.004 0.000 1.082 1548 L CA 1.889 56.727 54.840 -0.002 0.000 0.785 1548 L CB -1.962 40.093 42.059 -0.007 0.000 0.895 1548 L HN 0.137 nan 8.230 nan 0.000 0.439 1549 P HA -0.170 nan 4.420 nan 0.000 0.216 1549 P C 1.494 178.798 177.300 0.005 0.000 1.150 1549 P CA 1.211 64.310 63.100 -0.003 0.000 0.837 1549 P CB 0.063 31.764 31.700 0.001 0.000 0.786 1550 Q N -0.944 118.869 119.800 0.022 0.000 2.083 1550 Q HA -0.022 4.318 4.340 -0.000 0.000 0.198 1550 Q C 2.157 178.182 176.000 0.042 0.000 0.969 1550 Q CA 1.150 56.981 55.803 0.047 0.000 0.838 1550 Q CB -0.978 27.797 28.738 0.061 0.000 0.900 1550 Q HN 0.242 nan 8.270 nan 0.000 0.436 1551 I N 0.573 121.159 120.570 0.026 0.000 2.264 1551 I HA -0.260 3.910 4.170 -0.000 0.000 0.248 1551 I C 2.172 178.276 176.117 -0.021 0.000 1.111 1551 I CA 1.006 62.315 61.300 0.015 0.000 1.382 1551 I CB -0.195 37.808 38.000 0.006 0.000 1.060 1551 I HN 0.239 nan 8.210 nan 0.000 0.418 1552 E N 0.699 120.880 120.200 -0.030 0.000 2.077 1552 E HA -0.151 4.199 4.350 -0.000 0.000 0.193 1552 E C 2.375 178.917 176.600 -0.097 0.000 0.989 1552 E CA 1.220 57.584 56.400 -0.060 0.000 0.800 1552 E CB -0.047 29.623 29.700 -0.049 0.000 0.746 1552 E HN 0.365 nan 8.360 nan 0.000 0.452 1553 S N 0.209 115.862 115.700 -0.078 0.000 2.370 1553 S HA -0.127 4.343 4.470 -0.000 0.000 0.226 1553 S C 2.199 176.636 174.600 -0.271 0.000 1.033 1553 S CA 1.182 59.294 58.200 -0.147 0.000 1.011 1553 S CB -0.190 63.006 63.200 -0.007 0.000 0.852 1553 S HN 0.074 nan 8.310 nan 0.000 0.457 1554 V N 1.803 121.641 119.914 -0.126 0.000 2.270 1554 V HA -0.143 3.977 4.120 -0.000 0.000 0.245 1554 V C 2.347 178.250 176.094 -0.317 0.000 1.043 1554 V CA 1.786 63.951 62.300 -0.224 0.000 1.014 1554 V CB -0.523 31.259 31.823 -0.068 0.000 0.645 1554 V HN 0.411 nan 8.190 nan 0.000 0.447 1555 K N -0.458 119.820 120.400 -0.203 0.000 2.211 1555 K HA -0.153 4.167 4.320 -0.000 0.000 0.203 1555 K C 2.215 178.692 176.600 -0.205 0.000 1.050 1555 K CA 1.263 57.437 56.287 -0.189 0.000 0.945 1555 K CB 0.081 32.504 32.500 -0.129 0.000 0.732 1555 K HN 0.182 nan 8.250 nan 0.000 0.451 1556 R N -0.749 119.619 120.500 -0.220 0.000 2.254 1556 R HA 0.129 4.469 4.340 -0.000 0.000 0.193 1556 R C 1.569 177.708 176.300 -0.267 0.000 0.929 1556 R CA 0.659 56.634 56.100 -0.208 0.000 1.038 1556 R CB 0.472 30.673 30.300 -0.165 0.000 1.009 1556 R HN 0.225 nan 8.270 nan 0.000 0.512 1557 Q N -1.897 117.655 119.800 -0.415 0.000 2.215 1557 Q HA 0.086 4.426 4.340 -0.000 0.000 0.257 1557 Q C 0.328 175.968 176.000 -0.599 0.000 0.792 1557 Q CA 0.245 55.737 55.803 -0.518 0.000 0.958 1557 Q CB 0.678 29.040 28.738 -0.628 0.000 1.158 1557 Q HN 0.465 nan 8.270 nan 0.000 0.490 1558 H N -0.985 117.834 119.070 -0.417 0.000 3.046 1558 H HA 0.567 5.123 4.556 -0.000 0.000 0.262 1558 H C -0.282 174.538 175.328 -0.846 0.000 1.044 1558 H CA 0.194 55.863 56.048 -0.631 0.000 1.209 1558 H CB 1.739 30.887 29.762 -1.023 0.000 1.507 1558 H HN 0.148 nan 8.280 nan 0.000 0.507 1559 A N 0.147 122.584 122.820 -0.639 0.000 2.574 1559 A HA 0.438 4.758 4.320 -0.000 0.000 0.297 1559 A C 0.565 177.968 177.584 -0.302 0.000 1.062 1559 A CA -0.307 51.405 52.037 -0.541 0.000 0.686 1559 A CB 1.047 19.525 19.000 -0.870 0.000 1.285 1559 A HN 0.173 nan 8.150 nan 0.000 0.403 1560 S N 1.116 116.688 115.700 -0.215 0.000 2.348 1560 S HA 0.061 4.531 4.470 -0.000 0.000 0.219 1560 S C 0.785 175.247 174.600 -0.230 0.000 1.033 1560 S CA 0.552 58.632 58.200 -0.201 0.000 0.974 1560 S CB -0.222 62.865 63.200 -0.188 0.000 0.868 1560 S HN 0.718 nan 8.310 nan 0.000 0.459 1561 R N 0.897 121.238 120.500 -0.265 0.000 2.460 1561 R HA 0.739 5.079 4.340 -0.000 0.000 0.303 1561 R C -1.572 174.644 176.300 -0.139 0.000 0.968 1561 R CA -0.517 55.417 56.100 -0.277 0.000 0.889 1561 R CB 1.889 31.878 30.300 -0.519 0.000 1.123 1561 R HN 0.102 nan 8.270 nan 0.000 0.455 1562 V N 1.064 120.916 119.914 -0.102 0.000 2.789 1562 V HA 0.746 4.866 4.120 -0.000 0.000 0.311 1562 V C -0.576 175.511 176.094 -0.012 0.000 1.073 1562 V CA -0.983 61.307 62.300 -0.016 0.000 0.921 1562 V CB 1.959 33.761 31.823 -0.036 0.000 1.009 1562 V HN 0.944 nan 8.190 nan 0.000 0.426 1563 A N 4.001 126.843 122.820 0.037 0.000 2.386 1563 A HA 0.894 5.214 4.320 -0.000 0.000 0.311 1563 A C -1.268 176.336 177.584 0.033 0.000 1.068 1563 A CA -0.569 51.483 52.037 0.024 0.000 0.743 1563 A CB 1.580 20.605 19.000 0.042 0.000 1.258 1563 A HN 0.803 nan 8.150 nan 0.000 0.429 1564 L N 3.232 124.463 121.223 0.013 0.000 2.319 1564 L HA 0.515 4.855 4.340 -0.000 0.000 0.281 1564 L C -1.141 175.738 176.870 0.016 0.000 1.005 1564 L CA -0.665 54.185 54.840 0.017 0.000 0.828 1564 L CB 1.569 43.630 42.059 0.003 0.000 1.227 1564 L HN 0.525 nan 8.230 nan 0.000 0.415 1565 V N 6.073 126.001 119.914 0.023 0.000 2.483 1565 V HA 0.499 4.619 4.120 -0.000 0.000 0.295 1565 V C -2.023 174.084 176.094 0.022 0.000 1.035 1565 V CA -1.515 60.798 62.300 0.022 0.000 0.896 1565 V CB 1.772 33.609 31.823 0.023 0.000 0.986 1565 V HN 0.617 nan 8.190 nan 0.000 0.447 1566 P HA 0.258 nan 4.420 nan 0.000 0.278 1566 P C -0.623 176.691 177.300 0.024 0.000 1.258 1566 P CA -0.330 62.784 63.100 0.022 0.000 0.811 1566 P CB 1.320 33.034 31.700 0.023 0.000 1.063 1567 V N 2.715 122.643 119.914 0.024 0.000 2.470 1567 V HA 0.048 4.168 4.120 -0.000 0.000 0.276 1567 V C 0.946 177.056 176.094 0.027 0.000 1.040 1567 V CA -0.002 62.313 62.300 0.025 0.000 1.008 1567 V CB -0.170 31.669 31.823 0.028 0.000 0.990 1567 V HN 0.367 nan 8.190 nan 0.000 0.477 1568 L N 4.425 125.664 121.223 0.026 0.000 2.350 1568 L HA 0.367 4.707 4.340 -0.000 0.000 0.275 1568 L C 1.569 178.457 176.870 0.030 0.000 1.099 1568 L CA -0.126 54.731 54.840 0.027 0.000 0.808 1568 L CB 1.397 43.471 42.059 0.025 0.000 1.149 1568 L HN 0.798 nan 8.230 nan 0.000 0.442 1569 A N 2.650 125.490 122.820 0.032 0.000 1.842 1569 A HA -0.126 4.194 4.320 -0.000 0.000 0.217 1569 A C 1.082 178.687 177.584 0.035 0.000 1.206 1569 A CA 1.708 53.767 52.037 0.037 0.000 0.630 1569 A CB -0.529 18.493 19.000 0.036 0.000 0.839 1569 A HN 0.749 nan 8.150 nan 0.000 0.447 1570 S N 0.159 115.878 115.700 0.031 0.000 2.554 1570 S HA 0.444 4.914 4.470 -0.000 0.000 0.278 1570 S C -0.447 174.166 174.600 0.023 0.000 1.242 1570 S CA -0.720 57.497 58.200 0.027 0.000 1.051 1570 S CB 1.072 64.288 63.200 0.026 0.000 0.986 1570 S HN 0.445 nan 8.310 nan 0.000 0.502 1571 E N 3.230 123.441 120.200 0.019 0.000 2.465 1571 E HA 0.079 4.429 4.350 -0.000 0.000 0.260 1571 E C -1.955 174.655 176.600 0.016 0.000 0.980 1571 E CA -1.405 55.005 56.400 0.016 0.000 0.927 1571 E CB 0.152 29.859 29.700 0.011 0.000 0.934 1571 E HN 0.510 nan 8.360 nan 0.000 0.459 1572 P HA -0.050 nan 4.420 nan 0.000 0.245 1572 P C -0.129 177.180 177.300 0.015 0.000 1.670 1572 P CA 0.433 63.543 63.100 0.016 0.000 1.146 1572 P CB 0.154 31.863 31.700 0.016 0.000 1.954 1573 T N -0.292 114.272 114.554 0.015 0.000 3.034 1573 T HA 0.141 4.491 4.350 -0.000 0.000 0.248 1573 T C 1.160 175.869 174.700 0.015 0.000 1.040 1573 T CA 0.462 62.570 62.100 0.014 0.000 1.107 1573 T CB 0.188 69.064 68.868 0.013 0.000 0.932 1573 T HN 0.331 nan 8.240 nan 0.000 0.474 1574 G N 0.655 109.464 108.800 0.016 0.000 2.448 1574 G HA2 0.463 4.423 3.960 -0.000 0.000 0.285 1574 G HA3 0.463 4.423 3.960 -0.000 0.000 0.285 1574 G C 0.645 175.556 174.900 0.017 0.000 1.176 1574 G CA -0.542 44.568 45.100 0.017 0.000 0.852 1574 G HN 0.123 nan 8.290 nan 0.000 0.530 1575 I N 0.608 121.189 120.570 0.017 0.000 2.361 1575 I HA -0.117 4.053 4.170 -0.000 0.000 0.251 1575 I C 2.518 178.648 176.117 0.021 0.000 1.133 1575 I CA 1.660 62.971 61.300 0.018 0.000 1.413 1575 I CB -0.061 37.949 38.000 0.017 0.000 1.073 1575 I HN 0.724 nan 8.210 nan 0.000 0.424 1576 D N 0.190 120.602 120.400 0.021 0.000 2.103 1576 D HA -0.227 4.413 4.640 -0.000 0.000 0.199 1576 D C 1.799 178.115 176.300 0.025 0.000 0.978 1576 D CA 1.191 55.205 54.000 0.023 0.000 0.829 1576 D CB -0.614 40.199 40.800 0.022 0.000 0.981 1576 D HN 0.307 nan 8.370 nan 0.000 0.464 1577 K N -0.271 120.143 120.400 0.023 0.000 2.360 1577 K HA -0.047 4.273 4.320 -0.000 0.000 0.201 1577 K C 2.092 178.707 176.600 0.025 0.000 1.046 1577 K CA 0.265 56.566 56.287 0.024 0.000 0.945 1577 K CB 0.039 32.553 32.500 0.022 0.000 0.750 1577 K HN 0.095 nan 8.250 nan 0.000 0.464 1578 L N 1.389 122.626 121.223 0.023 0.000 2.209 1578 L HA -0.047 4.293 4.340 -0.000 0.000 0.207 1578 L C 1.482 178.368 176.870 0.026 0.000 1.094 1578 L CA 1.579 56.432 54.840 0.022 0.000 0.790 1578 L CB 0.053 42.124 42.059 0.019 0.000 0.932 1578 L HN -0.079 nan 8.230 nan 0.000 0.447 1579 K N -0.816 119.602 120.400 0.030 0.000 2.439 1579 K HA -0.073 4.247 4.320 -0.000 0.000 0.197 1579 K C 1.613 178.239 176.600 0.043 0.000 1.041 1579 K CA 0.733 57.041 56.287 0.036 0.000 0.970 1579 K CB 0.010 32.533 32.500 0.038 0.000 0.773 1579 K HN 0.511 nan 8.250 nan 0.000 0.479 1580 Q N 0.284 120.107 119.800 0.040 0.000 2.425 1580 Q HA 0.089 4.429 4.340 -0.000 0.000 0.204 1580 Q C 1.683 177.708 176.000 0.042 0.000 0.933 1580 Q CA 0.191 56.020 55.803 0.044 0.000 0.939 1580 Q CB 0.250 29.011 28.738 0.039 0.000 1.044 1580 Q HN 0.287 nan 8.270 nan 0.000 0.513 1581 L N -0.180 121.065 121.223 0.035 0.000 2.068 1581 L HA -0.051 4.289 4.340 -0.000 0.000 0.204 1581 L C 2.469 179.357 176.870 0.031 0.000 1.076 1581 L CA 0.858 55.717 54.840 0.031 0.000 0.753 1581 L CB -0.515 41.559 42.059 0.025 0.000 0.910 1581 L HN 0.203 nan 8.230 nan 0.000 0.439 1582 A N -0.099 122.742 122.820 0.034 0.000 1.908 1582 A HA 0.119 4.439 4.320 -0.000 0.000 0.218 1582 A C 1.325 178.928 177.584 0.031 0.000 1.181 1582 A CA 1.452 53.509 52.037 0.033 0.000 0.627 1582 A CB -0.906 18.117 19.000 0.039 0.000 0.818 1582 A HN 0.544 nan 8.150 nan 0.000 0.445 1583 G N -1.874 106.955 108.800 0.049 0.000 2.707 1583 G HA2 0.011 3.971 3.960 -0.000 0.000 0.686 1583 G HA3 0.011 3.971 3.960 -0.000 0.000 0.686 1583 G C -0.212 174.737 174.900 0.081 0.000 1.315 1583 G CA -0.160 44.975 45.100 0.059 0.000 0.832 1583 G HN 1.561 nan 8.290 nan 0.000 0.573 1584 H N 0.062 119.179 119.070 0.079 0.000 2.707 1584 H HA 0.402 4.958 4.556 0.000 0.000 0.359 1584 H C 0.446 175.867 175.328 0.156 0.000 1.113 1584 H CA 0.389 56.504 56.048 0.111 0.000 1.422 1584 H CB 0.676 30.495 29.762 0.096 0.000 1.443 1584 H HN 0.852 nan 8.280 nan 0.000 0.591 1585 H N 2.611 121.752 119.070 0.119 0.000 3.138 1585 H HA 0.040 4.596 4.556 -0.000 0.000 0.275 1585 H C -0.954 174.470 175.328 0.159 0.000 0.997 1585 H CA 0.075 56.177 56.048 0.089 0.000 1.460 1585 H CB -0.626 29.210 29.762 0.123 0.000 1.524 1585 H HN 0.666 nan 8.280 nan 0.000 0.532 1586 H N 4.093 122.875 119.070 -0.481 0.000 2.597 1586 H HA 0.187 4.743 4.556 -0.000 0.000 0.303 1586 H C -0.658 174.437 175.328 -0.389 0.000 1.057 1586 H CA -0.717 55.136 56.048 -0.325 0.000 1.261 1586 H CB -0.110 29.503 29.762 -0.248 0.000 1.397 1586 H HN 0.820 nan 8.280 nan 0.000 0.461 1587 H N 3.642 122.258 119.070 -0.756 0.000 2.732 1587 H HA 0.288 4.844 4.556 0.000 0.000 0.351 1587 H C -0.373 174.775 175.328 -0.299 0.000 1.090 1587 H CA 0.535 56.314 56.048 -0.449 0.000 1.431 1587 H CB 0.194 29.815 29.762 -0.235 0.000 1.447 1587 H HN 0.927 nan 8.280 nan 0.000 0.582 1588 H N 1.916 120.656 119.070 -0.550 0.000 3.014 1588 H HA 0.328 4.884 4.556 -0.000 0.000 0.337 1588 H C -1.148 174.038 175.328 -0.236 0.000 1.320 1588 H CA -0.897 54.973 56.048 -0.296 0.000 1.128 1588 H CB 0.765 30.403 29.762 -0.207 0.000 1.862 1588 H HN 0.729 nan 8.280 nan 0.000 0.536 1589 H N 0.000 119.124 119.070 0.090 0.000 2.539 1589 H HA 0.000 4.556 4.556 -0.000 0.000 0.296 1589 H CA 0.000 56.083 56.048 0.058 0.000 1.023 1589 H CB 0.000 29.795 29.762 0.054 0.000 1.292 1589 H HN 0.000 nan 8.280 nan 0.000 0.496