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 1phw_1_A DATA FIRST_RESID 1001 DATA SEQUENCE MKQKVVSIGD INVANDLPFV LFGGMNVLES RDLAMRICEH YVTVTQKLGI DATA SEQUENCE PYVFKASFDK ANRSSIHSYR GPGLEEGMKI FQELKQTFGV KIITDVHEPS DATA SEQUENCE QAQPVADVVD VIQLPAFLAR QTDLVEAMAK TGAVINVKKP QFVSPGQMGN DATA SEQUENCE IVDKFKEGGN EKVILCDRGA NFGYDNLVVD MLGFSIMKKV SGNSPVIFDV DATA SEQUENCE THALQXXXXX XXXXXXXRAQ VAELARAGMA VGLAGLFIEA HPDPEHAKCD DATA SEQUENCE GPSALPLAKL EPFLKQMKAI DDLVKGFEEL DTSK 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 0.000 176.309 176.300 0.015 0.000 1.140 1001 M CA 0.000 55.308 55.300 0.013 0.000 0.988 1001 M CB 0.000 32.608 32.600 0.013 0.000 1.302 1002 K N 2.603 123.012 120.400 0.014 0.000 2.090 1002 K HA 0.712 5.034 4.320 0.003 0.000 0.250 1002 K C -0.670 175.940 176.600 0.017 0.000 1.004 1002 K CA -0.880 55.416 56.287 0.015 0.000 0.919 1002 K CB 0.988 33.496 32.500 0.013 0.000 1.045 1002 K HN 0.559 nan 8.250 nan 0.000 0.471 1003 Q N 1.351 121.162 119.800 0.019 0.000 2.222 1003 Q HA 0.160 4.502 4.340 0.003 0.000 0.252 1003 Q C -0.892 175.120 176.000 0.019 0.000 0.926 1003 Q CA -0.729 55.087 55.803 0.021 0.000 0.899 1003 Q CB 1.758 30.511 28.738 0.025 0.000 1.250 1003 Q HN 0.606 nan 8.270 nan 0.000 0.441 1004 K N 0.655 121.067 120.400 0.020 0.000 2.368 1004 K HA 0.260 4.582 4.320 0.003 0.000 0.282 1004 K C -0.896 175.715 176.600 0.020 0.000 1.035 1004 K CA -0.164 56.134 56.287 0.017 0.000 0.973 1004 K CB 0.570 33.079 32.500 0.016 0.000 0.957 1004 K HN 0.288 nan 8.250 nan 0.000 0.474 1005 V N 4.783 124.706 119.914 0.016 0.000 2.532 1005 V HA 0.390 4.512 4.120 0.003 0.000 0.295 1005 V C -0.699 175.404 176.094 0.015 0.000 1.041 1005 V CA -0.868 61.442 62.300 0.018 0.000 0.926 1005 V CB 1.744 33.575 31.823 0.013 0.000 0.992 1005 V HN 0.588 nan 8.190 nan 0.000 0.457 1006 V N 3.738 123.665 119.914 0.021 0.000 2.398 1006 V HA 0.311 4.433 4.120 0.003 0.000 0.282 1006 V C 0.080 176.186 176.094 0.020 0.000 1.014 1006 V CA -0.501 61.808 62.300 0.015 0.000 0.838 1006 V CB 1.784 33.617 31.823 0.018 0.000 1.018 1006 V HN 0.987 nan 8.190 nan 0.000 0.432 1007 S N 5.249 120.953 115.700 0.007 0.000 2.523 1007 S HA 0.695 5.167 4.470 0.003 0.000 0.275 1007 S C -0.390 174.207 174.600 -0.004 0.000 1.281 1007 S CA -0.472 57.728 58.200 0.000 0.000 1.050 1007 S CB 1.040 64.236 63.200 -0.006 0.000 0.937 1007 S HN 0.521 nan 8.310 nan 0.000 0.492 1008 I N 3.637 124.201 120.570 -0.011 0.000 2.442 1008 I HA 0.492 4.664 4.170 0.003 0.000 0.279 1008 I C 1.193 177.291 176.117 -0.032 0.000 1.081 1008 I CA -0.078 61.210 61.300 -0.020 0.000 1.197 1008 I CB -0.127 37.858 38.000 -0.025 0.000 1.394 1008 I HN 1.131 nan 8.210 nan 0.000 0.488 1009 G N 5.170 113.955 108.800 -0.025 0.000 2.543 1009 G HA2 -0.336 3.626 3.960 0.003 0.000 0.286 1009 G HA3 -0.336 3.626 3.960 0.003 0.000 0.286 1009 G C 0.683 175.569 174.900 -0.024 0.000 1.153 1009 G CA 0.429 45.515 45.100 -0.024 0.000 0.968 1009 G HN 0.668 nan 8.290 nan 0.000 0.544 1010 D N 1.028 121.412 120.400 -0.027 0.000 2.355 1010 D HA 0.079 4.721 4.640 0.003 0.000 0.218 1010 D C 1.378 177.659 176.300 -0.033 0.000 1.004 1010 D CA 0.521 54.505 54.000 -0.026 0.000 0.880 1010 D CB -0.047 40.739 40.800 -0.024 0.000 0.911 1010 D HN 0.660 nan 8.370 nan 0.000 0.528 1011 I N 1.350 121.895 120.570 -0.042 0.000 2.365 1011 I HA 0.146 4.318 4.170 0.003 0.000 0.291 1011 I C -0.205 175.892 176.117 -0.033 0.000 1.004 1011 I CA -0.638 60.630 61.300 -0.053 0.000 1.311 1011 I CB 0.755 38.702 38.000 -0.089 0.000 1.401 1011 I HN -0.272 nan 8.210 nan 0.000 0.491 1012 N N 6.072 124.757 118.700 -0.026 0.000 2.511 1012 N HA 0.315 5.057 4.740 0.003 0.000 0.249 1012 N C -0.722 174.795 175.510 0.012 0.000 0.971 1012 N CA -0.357 52.690 53.050 -0.005 0.000 0.938 1012 N CB 2.031 40.514 38.487 -0.006 0.000 1.131 1012 N HN 0.229 nan 8.380 nan 0.000 0.505 1013 V N 1.154 121.091 119.914 0.040 0.000 2.432 1013 V HA 0.852 4.974 4.120 0.003 0.000 0.275 1013 V C 0.282 176.417 176.094 0.069 0.000 1.043 1013 V CA -0.539 61.811 62.300 0.083 0.000 0.925 1013 V CB 0.718 32.638 31.823 0.161 0.000 0.985 1013 V HN 0.788 nan 8.190 nan 0.000 0.466 1014 A N 3.279 126.142 122.820 0.071 0.000 2.594 1014 A HA 0.428 4.750 4.320 0.003 0.000 0.296 1014 A C 0.299 177.917 177.584 0.057 0.000 1.056 1014 A CA -0.594 51.476 52.037 0.054 0.000 0.693 1014 A CB 0.671 19.693 19.000 0.036 0.000 1.278 1014 A HN 0.728 nan 8.150 nan 0.000 0.408 1015 N N 0.472 119.200 118.700 0.047 0.000 2.258 1015 N HA -0.215 4.527 4.740 0.003 0.000 0.187 1015 N C 0.664 176.198 175.510 0.040 0.000 1.012 1015 N CA 1.706 54.781 53.050 0.042 0.000 0.870 1015 N CB 0.083 38.590 38.487 0.034 0.000 0.977 1015 N HN 0.779 nan 8.380 nan 0.000 0.434 1016 D N -0.656 119.766 120.400 0.037 0.000 2.398 1016 D HA 0.053 4.695 4.640 0.003 0.000 0.210 1016 D C 0.002 176.321 176.300 0.031 0.000 1.094 1016 D CA -0.098 53.922 54.000 0.033 0.000 0.839 1016 D CB -0.006 40.811 40.800 0.028 0.000 0.963 1016 D HN -0.015 nan 8.370 nan 0.000 0.506 1017 L N 0.641 121.885 121.223 0.035 0.000 2.439 1017 L HA 0.446 4.788 4.340 0.003 0.000 0.259 1017 L C -2.107 174.787 176.870 0.042 0.000 1.129 1017 L CA -2.227 52.629 54.840 0.026 0.000 0.803 1017 L CB 0.266 42.337 42.059 0.020 0.000 1.161 1017 L HN -0.268 nan 8.230 nan 0.000 0.462 1018 P HA 0.017 nan 4.420 nan 0.000 0.267 1018 P C -0.813 176.513 177.300 0.043 0.000 1.200 1018 P CA -0.186 62.933 63.100 0.031 0.000 0.772 1018 P CB 0.189 31.863 31.700 -0.043 0.000 0.855 1019 F N 2.464 122.416 119.950 0.003 0.000 2.563 1019 F HA 0.294 4.823 4.527 0.003 0.000 0.363 1019 F C -0.581 175.241 175.800 0.037 0.000 1.123 1019 F CA -0.677 57.343 58.000 0.033 0.000 1.307 1019 F CB -0.208 38.812 39.000 0.033 0.000 1.115 1019 F HN -0.026 nan 8.300 nan 0.000 0.592 1020 V N 5.578 125.550 119.914 0.097 0.000 2.472 1020 V HA 0.336 4.458 4.120 0.003 0.000 0.290 1020 V C -0.293 175.862 176.094 0.102 0.000 1.037 1020 V CA -0.864 61.384 62.300 -0.087 0.000 0.908 1020 V CB 1.268 33.017 31.823 -0.122 0.000 0.985 1020 V HN 0.867 nan 8.190 nan 0.000 0.454 1021 L N 5.022 126.216 121.223 -0.048 0.000 2.289 1021 L HA 0.559 4.901 4.340 0.003 0.000 0.285 1021 L C -0.694 176.180 176.870 0.006 0.000 1.049 1021 L CA 0.267 55.215 54.840 0.180 0.000 0.804 1021 L CB 0.738 42.898 42.059 0.168 0.000 1.195 1021 L HN 0.502 nan 8.230 nan 0.000 0.428 1022 F N 4.742 124.709 119.950 0.028 0.000 2.701 1022 F HA 0.507 5.035 4.527 0.003 0.000 0.315 1022 F C 1.135 176.678 175.800 -0.427 0.000 1.277 1022 F CA -0.553 57.339 58.000 -0.180 0.000 1.180 1022 F CB 0.036 38.938 39.000 -0.163 0.000 1.273 1022 F HN 0.607 nan 8.300 nan 0.000 0.532 1023 G N -0.205 108.552 108.800 -0.072 0.000 2.570 1023 G HA2 0.549 4.511 3.960 0.003 0.000 0.276 1023 G HA3 0.549 4.511 3.960 0.003 0.000 0.276 1023 G C 0.397 174.870 174.900 -0.713 0.000 1.346 1023 G CA 0.331 45.145 45.100 -0.477 0.000 1.034 1023 G HN 0.835 nan 8.290 nan 0.000 0.512 1024 G N -1.397 106.884 108.800 -0.865 0.000 2.247 1024 G HA2 0.424 4.386 3.960 0.003 0.000 0.229 1024 G HA3 0.424 4.386 3.960 0.003 0.000 0.229 1024 G C -0.370 174.487 174.900 -0.072 0.000 1.345 1024 G CA 0.076 44.844 45.100 -0.553 0.000 1.100 1024 G HN 1.364 nan 8.290 nan 0.000 0.473 1025 M N -0.940 118.571 119.600 -0.147 0.000 2.775 1025 M HA 0.654 5.136 4.480 0.003 0.000 0.296 1025 M C 0.698 177.046 176.300 0.079 0.000 1.248 1025 M CA -0.893 54.455 55.300 0.080 0.000 0.800 1025 M CB 1.753 34.467 32.600 0.191 0.000 1.765 1025 M HN 0.541 nan 8.290 nan 0.000 0.472 1026 N N 0.334 119.139 118.700 0.175 0.000 2.176 1026 N HA 0.096 4.838 4.740 0.003 0.000 0.187 1026 N C -0.266 175.357 175.510 0.187 0.000 1.043 1026 N CA 1.245 54.417 53.050 0.204 0.000 0.851 1026 N CB 0.444 39.063 38.487 0.220 0.000 1.018 1026 N HN 0.524 nan 8.380 nan 0.000 0.436 1027 V N 1.223 121.260 119.914 0.205 0.000 2.960 1027 V HA 0.389 4.511 4.120 0.003 0.000 0.315 1027 V C 0.181 176.419 176.094 0.241 0.000 1.087 1027 V CA -0.753 61.674 62.300 0.212 0.000 0.982 1027 V CB 2.269 34.235 31.823 0.238 0.000 1.039 1027 V HN 0.112 nan 8.190 nan 0.000 0.437 1028 L N 2.343 123.710 121.223 0.241 0.000 2.387 1028 L HA 0.260 4.602 4.340 0.003 0.000 0.267 1028 L C 1.293 178.318 176.870 0.257 0.000 1.197 1028 L CA 0.145 55.111 54.840 0.210 0.000 1.070 1028 L CB 0.046 42.186 42.059 0.135 0.000 1.349 1028 L HN 0.790 nan 8.230 nan 0.000 0.422 1029 E N 0.930 121.262 120.200 0.220 0.000 2.006 1029 E HA -0.081 4.271 4.350 0.003 0.000 0.192 1029 E C 0.171 176.815 176.600 0.073 0.000 0.993 1029 E CA 1.143 57.620 56.400 0.129 0.000 0.808 1029 E CB 0.206 29.954 29.700 0.079 0.000 0.764 1029 E HN 0.614 nan 8.360 nan 0.000 0.449 1030 S N -0.582 115.156 115.700 0.065 0.000 2.543 1030 S HA 0.349 4.821 4.470 0.003 0.000 0.271 1030 S C 0.129 174.751 174.600 0.036 0.000 1.148 1030 S CA -1.028 57.195 58.200 0.039 0.000 0.914 1030 S CB 1.966 65.174 63.200 0.013 0.000 1.096 1030 S HN 0.203 nan 8.310 nan 0.000 0.471 1031 R N 1.386 121.900 120.500 0.023 0.000 2.117 1031 R HA -0.114 4.228 4.340 0.003 0.000 0.243 1031 R C 0.717 177.030 176.300 0.022 0.000 1.143 1031 R CA 1.974 58.083 56.100 0.014 0.000 0.968 1031 R CB -1.164 29.139 30.300 0.006 0.000 0.863 1031 R HN 0.598 nan 8.270 nan 0.000 0.444 1032 D N 0.119 120.531 120.400 0.019 0.000 2.263 1032 D HA -0.109 4.533 4.640 0.003 0.000 0.208 1032 D C 1.606 177.915 176.300 0.015 0.000 0.971 1032 D CA 1.054 55.064 54.000 0.017 0.000 0.867 1032 D CB -0.012 40.793 40.800 0.009 0.000 0.929 1032 D HN 0.250 nan 8.370 nan 0.000 0.492 1033 L N 0.453 121.686 121.223 0.017 0.000 2.200 1033 L HA 0.205 4.547 4.340 0.003 0.000 0.200 1033 L C 2.143 179.035 176.870 0.036 0.000 1.072 1033 L CA 1.114 55.959 54.840 0.008 0.000 0.787 1033 L CB -0.773 41.292 42.059 0.011 0.000 0.957 1033 L HN -0.087 nan 8.230 nan 0.000 0.459 1034 A N 0.002 122.859 122.820 0.062 0.000 1.859 1034 A HA -0.255 4.067 4.320 0.003 0.000 0.217 1034 A C 2.223 179.796 177.584 -0.018 0.000 1.198 1034 A CA 2.467 54.558 52.037 0.091 0.000 0.629 1034 A CB -0.704 18.330 19.000 0.056 0.000 0.830 1034 A HN 0.472 nan 8.150 nan 0.000 0.446 1035 M N -0.936 118.658 119.600 -0.011 0.000 2.089 1035 M HA -0.208 4.274 4.480 0.003 0.000 0.257 1035 M C 2.280 178.571 176.300 -0.014 0.000 1.071 1035 M CA 2.170 57.487 55.300 0.029 0.000 1.096 1035 M CB -1.250 31.423 32.600 0.122 0.000 1.330 1035 M HN 0.603 nan 8.290 nan 0.000 0.403 1036 R N 0.316 120.821 120.500 0.008 0.000 2.070 1036 R HA -0.135 4.207 4.340 0.003 0.000 0.233 1036 R C 2.146 178.444 176.300 -0.003 0.000 1.137 1036 R CA 1.312 57.413 56.100 0.002 0.000 0.945 1036 R CB -0.061 30.234 30.300 -0.008 0.000 0.845 1036 R HN 0.212 nan 8.270 nan 0.000 0.430 1037 I N 0.987 121.578 120.570 0.036 0.000 2.069 1037 I HA -0.356 3.816 4.170 0.003 0.000 0.237 1037 I C 2.745 178.976 176.117 0.190 0.000 1.053 1037 I CA 1.302 62.681 61.300 0.133 0.000 1.311 1037 I CB -1.584 36.571 38.000 0.259 0.000 1.030 1037 I HN 0.441 nan 8.210 nan 0.000 0.398 1038 C N 1.111 120.458 119.300 0.080 0.000 2.409 1038 C HA -0.160 4.302 4.460 0.003 0.000 0.284 1038 C C 2.814 177.559 174.990 -0.408 0.000 1.354 1038 C CA 1.041 59.967 59.018 -0.153 0.000 1.787 1038 C CB -1.074 26.105 27.740 -0.934 0.000 1.900 1038 C HN 0.483 nan 8.230 nan 0.000 0.520 1039 E N -0.073 119.855 120.200 -0.454 0.000 2.046 1039 E HA -0.203 4.149 4.350 0.003 0.000 0.190 1039 E C 1.984 178.542 176.600 -0.070 0.000 0.982 1039 E CA 1.512 57.667 56.400 -0.409 0.000 0.800 1039 E CB -0.823 28.826 29.700 -0.084 0.000 0.756 1039 E HN 0.889 nan 8.360 nan 0.000 0.449 1040 H N -1.554 117.436 119.070 -0.133 0.000 2.387 1040 H HA -0.147 4.411 4.556 0.003 0.000 0.299 1040 H C 1.747 176.973 175.328 -0.170 0.000 1.090 1040 H CA 1.078 57.041 56.048 -0.142 0.000 1.332 1040 H CB 0.196 29.845 29.762 -0.188 0.000 1.386 1040 H HN 0.146 nan 8.280 nan 0.000 0.516 1041 Y N 0.407 120.598 120.300 -0.182 0.000 2.060 1041 Y HA -0.260 4.292 4.550 0.003 0.000 0.276 1041 Y C 2.804 178.500 175.900 -0.340 0.000 1.127 1041 Y CA 1.396 59.266 58.100 -0.383 0.000 1.104 1041 Y CB -0.797 37.413 38.460 -0.417 0.000 0.983 1041 Y HN -0.030 nan 8.280 nan 0.000 0.483 1042 V N -0.371 119.540 119.914 -0.005 0.000 2.252 1042 V HA -0.464 3.658 4.120 0.003 0.000 0.255 1042 V C 2.255 178.363 176.094 0.023 0.000 1.071 1042 V CA 2.610 64.936 62.300 0.044 0.000 1.050 1042 V CB -1.384 30.478 31.823 0.064 0.000 0.654 1042 V HN 0.512 nan 8.190 nan 0.000 0.448 1043 T N -0.178 114.397 114.554 0.035 0.000 2.652 1043 T HA -0.184 4.168 4.350 0.003 0.000 0.267 1043 T C 1.871 176.580 174.700 0.015 0.000 1.039 1043 T CA 1.892 64.023 62.100 0.051 0.000 1.153 1043 T CB -0.320 68.601 68.868 0.089 0.000 0.863 1043 T HN 0.313 nan 8.240 nan 0.000 0.428 1044 V N 2.129 122.027 119.914 -0.026 0.000 2.295 1044 V HA -0.215 3.907 4.120 0.003 0.000 0.246 1044 V C 2.921 178.972 176.094 -0.072 0.000 1.049 1044 V CA 2.204 64.464 62.300 -0.067 0.000 1.024 1044 V CB -1.627 30.080 31.823 -0.193 0.000 0.648 1044 V HN 0.749 nan 8.190 nan 0.000 0.447 1045 T N -1.473 113.017 114.554 -0.106 0.000 2.588 1045 T HA -0.349 4.003 4.350 0.003 0.000 0.261 1045 T C 1.839 176.507 174.700 -0.054 0.000 1.069 1045 T CA 1.825 63.864 62.100 -0.102 0.000 1.172 1045 T CB -0.638 68.136 68.868 -0.156 0.000 0.863 1045 T HN 0.354 nan 8.240 nan 0.000 0.408 1046 Q N 1.356 121.142 119.800 -0.023 0.000 2.124 1046 Q HA -0.271 4.071 4.340 0.003 0.000 0.215 1046 Q C 2.293 178.287 176.000 -0.010 0.000 1.015 1046 Q CA 2.679 58.480 55.803 -0.002 0.000 0.890 1046 Q CB -0.343 28.410 28.738 0.025 0.000 0.966 1046 Q HN 0.737 nan 8.270 nan 0.000 0.412 1047 K N -0.403 119.992 120.400 -0.008 0.000 2.026 1047 K HA -0.145 4.177 4.320 0.003 0.000 0.208 1047 K C 1.862 178.452 176.600 -0.016 0.000 1.048 1047 K CA 1.421 57.704 56.287 -0.006 0.000 0.929 1047 K CB -0.131 32.370 32.500 0.002 0.000 0.713 1047 K HN 0.284 nan 8.250 nan 0.000 0.439 1048 L N -0.313 120.894 121.223 -0.026 0.000 2.341 1048 L HA 0.096 4.437 4.340 0.003 0.000 0.214 1048 L C 0.614 177.457 176.870 -0.045 0.000 1.115 1048 L CA 0.557 55.379 54.840 -0.030 0.000 0.820 1048 L CB 0.117 42.160 42.059 -0.027 0.000 0.944 1048 L HN 0.626 nan 8.230 nan 0.000 0.452 1049 G N 1.449 110.215 108.800 -0.056 0.000 2.742 1049 G HA2 -0.195 3.767 3.960 0.003 0.000 0.257 1049 G HA3 -0.195 3.767 3.960 0.003 0.000 0.257 1049 G C -0.532 174.295 174.900 -0.122 0.000 1.143 1049 G CA -0.469 44.588 45.100 -0.071 0.000 1.064 1049 G HN 0.199 nan 8.290 nan 0.000 0.529 1050 I N 0.354 120.839 120.570 -0.141 0.000 2.569 1050 I HA 0.360 4.532 4.170 0.003 0.000 0.290 1050 I C -2.193 173.819 176.117 -0.174 0.000 1.088 1050 I CA -2.562 58.596 61.300 -0.238 0.000 1.047 1050 I CB 2.582 40.403 38.000 -0.298 0.000 1.237 1050 I HN -0.024 nan 8.210 nan 0.000 0.421 1051 P HA 0.098 nan 4.420 nan 0.000 0.270 1051 P C -1.585 175.661 177.300 -0.089 0.000 1.223 1051 P CA 0.168 63.184 63.100 -0.140 0.000 0.785 1051 P CB 0.351 31.944 31.700 -0.179 0.000 0.923 1052 Y N 0.580 120.733 120.300 -0.245 0.000 2.552 1052 Y HA 0.492 5.045 4.550 0.004 0.000 0.337 1052 Y C -1.654 174.078 175.900 -0.280 0.000 1.094 1052 Y CA -1.082 56.857 58.100 -0.268 0.000 1.028 1052 Y CB 1.473 39.840 38.460 -0.155 0.000 1.321 1052 Y HN 0.069 nan 8.280 nan 0.000 0.456 1053 V N 7.647 127.011 119.914 -0.917 0.000 2.465 1053 V HA 0.161 4.283 4.120 0.003 0.000 0.263 1053 V C -0.439 175.123 176.094 -0.887 0.000 0.981 1053 V CA -0.898 60.914 62.300 -0.812 0.000 0.838 1053 V CB 0.273 31.766 31.823 -0.550 0.000 1.068 1053 V HN 0.698 nan 8.190 nan 0.000 0.458 1054 F N 4.220 123.333 119.950 -1.394 0.000 2.594 1054 F HA 0.197 4.726 4.527 0.003 0.000 0.384 1054 F C 0.404 176.015 175.800 -0.314 0.000 1.060 1054 F CA 0.557 58.112 58.000 -0.742 0.000 1.278 1054 F CB 0.439 39.228 39.000 -0.351 0.000 0.977 1054 F HN 0.539 nan 8.300 nan 0.000 0.576 1055 K N 5.317 125.091 120.400 -1.042 0.000 2.371 1055 K HA 0.889 5.211 4.320 0.003 0.000 0.251 1055 K C -1.961 174.204 176.600 -0.725 0.000 0.934 1055 K CA -0.167 55.726 56.287 -0.657 0.000 0.798 1055 K CB 1.964 34.163 32.500 -0.502 0.000 1.204 1055 K HN 0.911 nan 8.250 nan 0.000 0.427 1056 A N 1.533 124.256 122.820 -0.163 0.000 2.605 1056 A HA 0.638 4.960 4.320 0.003 0.000 0.294 1056 A C -1.436 176.331 177.584 0.304 0.000 1.062 1056 A CA -0.899 51.199 52.037 0.103 0.000 0.682 1056 A CB 1.516 20.683 19.000 0.280 0.000 1.278 1056 A HN 0.611 nan 8.150 nan 0.000 0.410 1057 S N 0.701 116.538 115.700 0.228 0.000 2.451 1057 S HA 0.532 5.004 4.470 0.003 0.000 0.301 1057 S C 0.204 174.887 174.600 0.137 0.000 1.116 1057 S CA -0.292 57.974 58.200 0.111 0.000 1.093 1057 S CB 0.427 63.648 63.200 0.035 0.000 1.017 1057 S HN 1.062 nan 8.310 nan 0.000 0.482 1058 F N 0.019 120.140 119.950 0.285 0.000 2.749 1058 F HA 0.509 5.039 4.527 0.004 0.000 0.300 1058 F C 0.292 176.152 175.800 0.101 0.000 1.103 1058 F CA -0.470 57.654 58.000 0.206 0.000 1.342 1058 F CB 0.219 39.389 39.000 0.284 0.000 1.098 1058 F HN 0.382 nan 8.300 nan 0.000 0.586 1059 D N 0.887 121.026 120.400 -0.434 0.000 2.857 1059 D HA 0.279 4.921 4.640 0.003 0.000 0.227 1059 D C -1.363 174.770 176.300 -0.278 0.000 1.192 1059 D CA -0.407 53.427 54.000 -0.277 0.000 0.857 1059 D CB 2.046 42.675 40.800 -0.284 0.000 1.645 1059 D HN -0.072 nan 8.370 nan 0.000 0.482 1060 K N 2.246 122.488 120.400 -0.264 0.000 2.521 1060 K HA 0.511 4.833 4.320 0.003 0.000 0.248 1060 K C 0.095 176.536 176.600 -0.264 0.000 0.978 1060 K CA -0.499 55.656 56.287 -0.220 0.000 0.947 1060 K CB 1.721 34.120 32.500 -0.168 0.000 1.165 1060 K HN 0.443 nan 8.250 nan 0.000 0.445 1061 A N 3.117 125.717 122.820 -0.366 0.000 1.975 1061 A HA -0.059 4.263 4.320 0.003 0.000 0.215 1061 A C 0.718 178.198 177.584 -0.174 0.000 1.170 1061 A CA 0.732 52.578 52.037 -0.318 0.000 0.656 1061 A CB -0.266 18.462 19.000 -0.454 0.000 0.821 1061 A HN 0.788 nan 8.150 nan 0.000 0.449 1062 N N 0.135 118.755 118.700 -0.133 0.000 3.040 1062 N HA 0.312 5.054 4.740 0.003 0.000 0.305 1062 N C -0.485 174.973 175.510 -0.087 0.000 1.611 1062 N CA -0.701 52.268 53.050 -0.135 0.000 1.049 1062 N CB 0.826 39.171 38.487 -0.236 0.000 1.342 1062 N HN 0.020 nan 8.380 nan 0.000 0.497 1063 R N 0.570 121.028 120.500 -0.070 0.000 2.608 1063 R HA 0.379 4.721 4.340 0.003 0.000 0.255 1063 R C 0.479 176.766 176.300 -0.023 0.000 1.086 1063 R CA -0.615 55.465 56.100 -0.033 0.000 1.125 1063 R CB 0.776 31.061 30.300 -0.025 0.000 1.193 1063 R HN 0.490 nan 8.270 nan 0.000 0.553 1064 S N -0.219 115.482 115.700 0.002 0.000 2.584 1064 S HA 0.325 4.797 4.470 0.003 0.000 0.273 1064 S C -0.240 174.374 174.600 0.023 0.000 1.311 1064 S CA -0.025 58.180 58.200 0.007 0.000 1.034 1064 S CB 0.644 63.854 63.200 0.016 0.000 0.939 1064 S HN 0.826 nan 8.310 nan 0.000 0.513 1065 S N 1.083 116.798 115.700 0.026 0.000 3.441 1065 S HA -0.191 4.281 4.470 0.003 0.000 0.856 1065 S C 0.359 175.005 174.600 0.077 0.000 1.189 1065 S CA 0.116 58.350 58.200 0.058 0.000 0.923 1065 S CB -1.341 61.901 63.200 0.069 0.000 0.627 1065 S HN 0.889 nan 8.310 nan 0.000 0.276 1066 I N 1.821 122.463 120.570 0.120 0.000 2.439 1066 I HA 0.030 4.202 4.170 0.003 0.000 0.251 1066 I C 1.700 177.838 176.117 0.036 0.000 1.139 1066 I CA 1.384 62.721 61.300 0.062 0.000 1.438 1066 I CB -0.693 37.336 38.000 0.048 0.000 1.085 1066 I HN 0.811 nan 8.210 nan 0.000 0.427 1067 H N -0.513 118.562 119.070 0.008 0.000 2.989 1067 H HA 0.347 4.906 4.556 0.004 0.000 0.284 1067 H C 0.373 175.723 175.328 0.036 0.000 1.440 1067 H CA -0.117 55.944 56.048 0.021 0.000 1.209 1067 H CB -0.355 29.418 29.762 0.018 0.000 1.453 1067 H HN 0.034 nan 8.280 nan 0.000 0.550 1068 S N -0.435 115.333 115.700 0.113 0.000 2.726 1068 S HA 0.163 4.635 4.470 0.003 0.000 0.308 1068 S C -0.869 173.811 174.600 0.134 0.000 1.115 1068 S CA -0.818 57.452 58.200 0.117 0.000 0.965 1068 S CB 1.003 64.255 63.200 0.088 0.000 1.145 1068 S HN 0.432 nan 8.310 nan 0.000 0.532 1069 Y N 3.425 123.743 120.300 0.030 0.000 2.644 1069 Y HA 0.159 4.711 4.550 0.003 0.000 0.354 1069 Y C 1.463 177.377 175.900 0.023 0.000 1.166 1069 Y CA -0.283 57.835 58.100 0.030 0.000 1.591 1069 Y CB -0.221 38.261 38.460 0.038 0.000 1.346 1069 Y HN 0.544 nan 8.280 nan 0.000 0.497 1070 R N 3.338 123.696 120.500 -0.236 0.000 2.122 1070 R HA -0.031 4.311 4.340 0.003 0.000 0.236 1070 R C 0.806 176.758 176.300 -0.581 0.000 1.129 1070 R CA 1.419 57.340 56.100 -0.297 0.000 0.925 1070 R CB -0.873 29.328 30.300 -0.166 0.000 0.850 1070 R HN 0.908 nan 8.270 nan 0.000 0.431 1071 G N -2.772 105.539 108.800 -0.816 0.000 2.353 1071 G HA2 0.046 4.008 3.960 0.003 0.000 0.308 1071 G HA3 0.046 4.008 3.960 0.003 0.000 0.308 1071 G C -2.435 172.345 174.900 -0.200 0.000 1.418 1071 G CA -0.654 43.960 45.100 -0.810 0.000 0.966 1071 G HN -0.096 nan 8.290 nan 0.000 0.638 1072 P HA 0.135 nan 4.420 nan 0.000 0.218 1072 P C 1.204 178.581 177.300 0.128 0.000 1.154 1072 P CA 2.909 66.106 63.100 0.161 0.000 0.872 1072 P CB -0.088 31.727 31.700 0.192 0.000 0.790 1073 G N -2.296 106.613 108.800 0.182 0.000 2.587 1073 G HA2 -0.139 3.823 3.960 0.003 0.000 0.686 1073 G HA3 -0.139 3.823 3.960 0.003 0.000 0.686 1073 G C -0.028 174.974 174.900 0.169 0.000 1.236 1073 G CA -0.362 44.843 45.100 0.175 0.000 0.820 1073 G HN 0.269 nan 8.290 nan 0.000 0.645 1074 L N 0.321 121.583 121.223 0.064 0.000 2.093 1074 L HA 0.050 4.392 4.340 0.003 0.000 0.208 1074 L C 2.255 178.982 176.870 -0.238 0.000 1.085 1074 L CA 3.072 57.708 54.840 -0.342 0.000 0.755 1074 L CB -0.533 41.414 42.059 -0.186 0.000 0.904 1074 L HN 0.884 nan 8.230 nan 0.000 0.435 1075 E N 0.012 120.163 120.200 -0.082 0.000 2.285 1075 E HA -0.235 4.117 4.350 0.003 0.000 0.194 1075 E C 1.691 178.277 176.600 -0.023 0.000 0.997 1075 E CA 0.937 57.308 56.400 -0.048 0.000 0.845 1075 E CB 0.396 30.086 29.700 -0.016 0.000 0.782 1075 E HN 0.560 nan 8.360 nan 0.000 0.491 1076 E N -0.834 119.365 120.200 -0.002 0.000 2.340 1076 E HA 0.095 4.447 4.350 0.003 0.000 0.198 1076 E C 1.715 178.332 176.600 0.027 0.000 0.961 1076 E CA 0.899 57.312 56.400 0.021 0.000 0.905 1076 E CB -0.175 29.552 29.700 0.045 0.000 0.884 1076 E HN 0.221 nan 8.360 nan 0.000 0.491 1077 G N 1.065 109.888 108.800 0.038 0.000 2.404 1077 G HA2 -0.199 3.763 3.960 0.003 0.000 0.215 1077 G HA3 -0.199 3.763 3.960 0.003 0.000 0.215 1077 G C 1.475 176.414 174.900 0.065 0.000 1.174 1077 G CA 0.948 46.103 45.100 0.092 0.000 0.780 1077 G HN 0.172 nan 8.290 nan 0.000 0.537 1078 M N 0.683 120.302 119.600 0.032 0.000 2.202 1078 M HA -0.050 4.432 4.480 0.003 0.000 0.262 1078 M C 2.333 178.710 176.300 0.129 0.000 1.063 1078 M CA 1.193 56.577 55.300 0.140 0.000 1.097 1078 M CB -0.757 31.833 32.600 -0.017 0.000 1.382 1078 M HN 0.254 nan 8.290 nan 0.000 0.413 1079 K N -0.189 120.239 120.400 0.048 0.000 2.211 1079 K HA -0.081 4.241 4.320 0.003 0.000 0.203 1079 K C 1.823 178.437 176.600 0.024 0.000 1.050 1079 K CA 0.758 57.066 56.287 0.035 0.000 0.945 1079 K CB -0.023 32.486 32.500 0.016 0.000 0.732 1079 K HN 0.231 nan 8.250 nan 0.000 0.451 1080 I N 0.203 120.755 120.570 -0.030 0.000 2.233 1080 I HA -0.169 4.003 4.170 0.003 0.000 0.243 1080 I C 1.967 178.029 176.117 -0.091 0.000 1.093 1080 I CA 1.428 62.662 61.300 -0.110 0.000 1.380 1080 I CB -1.256 36.599 38.000 -0.241 0.000 1.067 1080 I HN -0.005 nan 8.210 nan 0.000 0.413 1081 F N 1.639 121.649 119.950 0.099 0.000 2.250 1081 F HA -0.183 4.346 4.527 0.002 0.000 0.301 1081 F C 2.678 178.514 175.800 0.060 0.000 1.077 1081 F CA 1.005 59.066 58.000 0.101 0.000 1.348 1081 F CB -0.800 38.274 39.000 0.123 0.000 1.040 1081 F HN 0.161 nan 8.300 nan 0.000 0.509 1082 Q N 0.399 120.318 119.800 0.198 0.000 1.985 1082 Q HA -0.276 4.066 4.340 0.003 0.000 0.207 1082 Q C 2.290 178.337 176.000 0.079 0.000 0.996 1082 Q CA 1.907 57.779 55.803 0.115 0.000 0.851 1082 Q CB -0.975 27.807 28.738 0.073 0.000 0.921 1082 Q HN 0.526 nan 8.270 nan 0.000 0.418 1083 E N 0.397 120.628 120.200 0.051 0.000 2.130 1083 E HA -0.188 4.164 4.350 0.003 0.000 0.196 1083 E C 2.158 178.784 176.600 0.042 0.000 0.998 1083 E CA 0.816 57.232 56.400 0.026 0.000 0.806 1083 E CB -0.028 29.678 29.700 0.010 0.000 0.738 1083 E HN 0.255 nan 8.360 nan 0.000 0.459 1084 L N 0.404 121.677 121.223 0.085 0.000 2.156 1084 L HA -0.124 4.218 4.340 0.003 0.000 0.208 1084 L C 2.592 179.565 176.870 0.172 0.000 1.095 1084 L CA 1.020 55.955 54.840 0.158 0.000 0.770 1084 L CB -0.258 41.830 42.059 0.047 0.000 0.914 1084 L HN -0.026 nan 8.230 nan 0.000 0.439 1085 K N 0.162 120.636 120.400 0.125 0.000 1.985 1085 K HA -0.246 4.076 4.320 0.003 0.000 0.210 1085 K C 2.259 178.893 176.600 0.058 0.000 1.047 1085 K CA 2.073 58.418 56.287 0.098 0.000 0.932 1085 K CB -0.199 32.352 32.500 0.084 0.000 0.716 1085 K HN 0.473 nan 8.250 nan 0.000 0.439 1086 Q N -0.062 119.752 119.800 0.023 0.000 2.002 1086 Q HA -0.138 4.204 4.340 0.003 0.000 0.204 1086 Q C 1.828 177.778 176.000 -0.083 0.000 0.988 1086 Q CA 2.045 57.836 55.803 -0.021 0.000 0.843 1086 Q CB -0.885 27.836 28.738 -0.028 0.000 0.908 1086 Q HN 0.078 nan 8.270 nan 0.000 0.420 1087 T N -0.258 114.204 114.554 -0.153 0.000 2.849 1087 T HA -0.075 4.277 4.350 0.003 0.000 0.270 1087 T C 0.733 175.022 174.700 -0.684 0.000 1.066 1087 T CA 1.416 63.262 62.100 -0.423 0.000 1.130 1087 T CB -0.115 68.430 68.868 -0.538 0.000 0.864 1087 T HN 0.290 nan 8.240 nan 0.000 0.481 1088 F N -0.503 119.435 119.950 -0.020 0.000 2.784 1088 F HA 0.423 4.952 4.527 0.003 0.000 0.316 1088 F C 1.618 177.418 175.800 -0.000 0.000 1.026 1088 F CA -0.219 57.775 58.000 -0.011 0.000 1.188 1088 F CB 0.130 39.116 39.000 -0.024 0.000 0.999 1088 F HN 0.158 nan 8.300 nan 0.000 0.605 1089 G N 2.244 111.130 108.800 0.143 0.000 2.353 1089 G HA2 -0.023 3.939 3.960 0.003 0.000 0.294 1089 G HA3 -0.023 3.939 3.960 0.003 0.000 0.294 1089 G C -0.446 174.506 174.900 0.086 0.000 1.077 1089 G CA 0.185 45.336 45.100 0.085 0.000 1.098 1089 G HN 0.662 nan 8.290 nan 0.000 0.511 1090 V N -3.676 116.284 119.914 0.078 0.000 3.102 1090 V HA 0.940 5.062 4.120 0.003 0.000 0.312 1090 V C 0.043 176.119 176.094 -0.030 0.000 1.135 1090 V CA -2.165 60.142 62.300 0.012 0.000 1.022 1090 V CB 1.947 33.771 31.823 0.001 0.000 1.056 1090 V HN 0.237 nan 8.190 nan 0.000 0.436 1091 K N 1.678 122.010 120.400 -0.114 0.000 2.185 1091 K HA 0.693 5.015 4.320 0.003 0.000 0.271 1091 K C -0.893 175.650 176.600 -0.095 0.000 1.013 1091 K CA -0.135 56.087 56.287 -0.108 0.000 0.943 1091 K CB 0.856 33.265 32.500 -0.151 0.000 0.998 1091 K HN 0.632 nan 8.250 nan 0.000 0.468 1092 I N 2.832 123.367 120.570 -0.059 0.000 2.404 1092 I HA 0.336 4.508 4.170 0.003 0.000 0.293 1092 I C -0.748 175.275 176.117 -0.157 0.000 0.992 1092 I CA -0.535 60.721 61.300 -0.074 0.000 1.149 1092 I CB 1.433 39.351 38.000 -0.136 0.000 1.315 1092 I HN 0.446 nan 8.210 nan 0.000 0.446 1093 I N 5.798 126.273 120.570 -0.158 0.000 2.447 1093 I HA 0.536 4.708 4.170 0.003 0.000 0.287 1093 I C -0.956 175.094 176.117 -0.111 0.000 1.023 1093 I CA 0.139 61.384 61.300 -0.092 0.000 1.083 1093 I CB 1.375 39.394 38.000 0.033 0.000 1.245 1093 I HN 0.538 nan 8.210 nan 0.000 0.434 1094 T N 6.195 120.696 114.554 -0.088 0.000 2.883 1094 T HA 0.406 4.758 4.350 0.003 0.000 0.301 1094 T C -1.310 173.404 174.700 0.023 0.000 1.158 1094 T CA -0.617 61.474 62.100 -0.015 0.000 1.007 1094 T CB 1.637 70.506 68.868 0.002 0.000 1.186 1094 T HN 0.674 nan 8.240 nan 0.000 0.499 1095 D N 1.777 122.165 120.400 -0.021 0.000 2.177 1095 D HA 0.475 5.117 4.640 0.003 0.000 0.247 1095 D C 0.297 176.501 176.300 -0.161 0.000 1.063 1095 D CA -0.524 53.405 54.000 -0.118 0.000 0.867 1095 D CB 1.652 42.337 40.800 -0.191 0.000 1.168 1095 D HN 0.413 nan 8.370 nan 0.000 0.445 1096 V N 0.394 120.232 119.914 -0.126 0.000 2.850 1096 V HA 0.492 4.614 4.120 0.003 0.000 0.315 1096 V C -0.491 175.466 176.094 -0.229 0.000 1.064 1096 V CA -0.282 62.030 62.300 0.020 0.000 0.979 1096 V CB 1.725 33.630 31.823 0.137 0.000 1.039 1096 V HN 0.697 nan 8.190 nan 0.000 0.452 1097 H N -0.036 119.094 119.070 0.101 0.000 3.266 1097 H HA 0.471 5.029 4.556 0.003 0.000 0.246 1097 H C -0.151 175.221 175.328 0.075 0.000 0.998 1097 H CA 0.083 56.175 56.048 0.073 0.000 1.152 1097 H CB 0.579 30.369 29.762 0.048 0.000 1.466 1097 H HN 0.646 nan 8.280 nan 0.000 0.481 1098 E N 1.219 121.546 120.200 0.210 0.000 2.187 1098 E HA 0.201 4.553 4.350 0.003 0.000 0.268 1098 E C -1.980 174.686 176.600 0.109 0.000 0.896 1098 E CA -2.240 54.242 56.400 0.136 0.000 0.766 1098 E CB 1.800 31.572 29.700 0.120 0.000 1.142 1098 E HN -0.013 nan 8.360 nan 0.000 0.408 1099 P HA -0.218 nan 4.420 nan 0.000 0.220 1099 P C 1.130 178.468 177.300 0.064 0.000 1.142 1099 P CA 1.500 64.640 63.100 0.067 0.000 0.801 1099 P CB 0.315 32.045 31.700 0.050 0.000 0.764 1100 S N -1.869 113.871 115.700 0.067 0.000 2.439 1100 S HA -0.054 4.418 4.470 0.003 0.000 0.224 1100 S C 1.849 176.487 174.600 0.063 0.000 1.029 1100 S CA 0.180 58.415 58.200 0.057 0.000 0.946 1100 S CB -0.863 62.367 63.200 0.050 0.000 0.797 1100 S HN 0.195 nan 8.310 nan 0.000 0.504 1101 Q N 1.450 121.304 119.800 0.091 0.000 2.364 1101 Q HA 0.112 4.454 4.340 0.003 0.000 0.207 1101 Q C 2.341 178.394 176.000 0.087 0.000 0.970 1101 Q CA 0.877 56.741 55.803 0.102 0.000 0.888 1101 Q CB -0.643 28.212 28.738 0.195 0.000 0.951 1101 Q HN 0.729 nan 8.270 nan 0.000 0.469 1102 A N 1.446 124.316 122.820 0.083 0.000 1.859 1102 A HA -0.377 3.945 4.320 0.003 0.000 0.218 1102 A C 2.087 179.700 177.584 0.048 0.000 1.242 1102 A CA 2.149 54.228 52.037 0.071 0.000 0.661 1102 A CB -0.903 18.139 19.000 0.070 0.000 0.842 1102 A HN 0.315 nan 8.150 nan 0.000 0.455 1103 Q N 0.190 120.013 119.800 0.038 0.000 2.030 1103 Q HA -0.096 4.246 4.340 0.003 0.000 0.204 1103 Q C -0.449 175.559 176.000 0.013 0.000 0.986 1103 Q CA 2.522 58.340 55.803 0.024 0.000 0.843 1103 Q CB -1.408 27.343 28.738 0.022 0.000 0.904 1103 Q HN 0.494 nan 8.270 nan 0.000 0.420 1104 P HA -0.216 nan 4.420 nan 0.000 0.214 1104 P C 1.276 178.566 177.300 -0.016 0.000 1.172 1104 P CA 2.014 65.109 63.100 -0.008 0.000 0.925 1104 P CB -0.182 31.506 31.700 -0.020 0.000 0.793 1105 V N -0.197 119.706 119.914 -0.018 0.000 2.407 1105 V HA -0.266 3.856 4.120 0.003 0.000 0.248 1105 V C 2.473 178.558 176.094 -0.015 0.000 1.055 1105 V CA 2.015 64.302 62.300 -0.022 0.000 1.049 1105 V CB -2.025 29.809 31.823 0.018 0.000 0.662 1105 V HN 0.121 nan 8.190 nan 0.000 0.455 1106 A N 0.393 123.212 122.820 -0.001 0.000 1.958 1106 A HA -0.305 4.017 4.320 0.003 0.000 0.221 1106 A C 2.001 179.578 177.584 -0.011 0.000 1.178 1106 A CA 2.321 54.355 52.037 -0.005 0.000 0.642 1106 A CB -0.584 18.419 19.000 0.004 0.000 0.816 1106 A HN 0.638 nan 8.150 nan 0.000 0.453 1107 D N -0.100 120.296 120.400 -0.007 0.000 2.087 1107 D HA -0.088 4.554 4.640 0.003 0.000 0.201 1107 D C 2.197 178.493 176.300 -0.006 0.000 0.980 1107 D CA 1.709 55.706 54.000 -0.005 0.000 0.849 1107 D CB -0.870 39.929 40.800 -0.001 0.000 1.001 1107 D HN 0.233 nan 8.370 nan 0.000 0.452 1108 V N 1.611 121.522 119.914 -0.004 0.000 2.277 1108 V HA -0.198 3.924 4.120 0.003 0.000 0.253 1108 V C 1.572 177.657 176.094 -0.014 0.000 1.067 1108 V CA 1.638 63.942 62.300 0.007 0.000 1.047 1108 V CB -1.059 30.775 31.823 0.018 0.000 0.649 1108 V HN 0.136 nan 8.190 nan 0.000 0.447 1109 V N -2.873 117.008 119.914 -0.055 0.000 2.994 1109 V HA 0.483 4.605 4.120 0.003 0.000 0.318 1109 V C 0.713 176.772 176.094 -0.060 0.000 1.085 1109 V CA -0.585 61.659 62.300 -0.092 0.000 0.998 1109 V CB 1.773 33.484 31.823 -0.186 0.000 1.063 1109 V HN 0.163 nan 8.190 nan 0.000 0.447 1110 D N 0.975 121.338 120.400 -0.061 0.000 2.106 1110 D HA 0.065 4.707 4.640 0.003 0.000 0.203 1110 D C 0.312 176.591 176.300 -0.034 0.000 0.977 1110 D CA 1.560 55.534 54.000 -0.043 0.000 0.844 1110 D CB 0.474 41.245 40.800 -0.049 0.000 1.002 1110 D HN 0.427 nan 8.370 nan 0.000 0.461 1111 V N 3.322 123.218 119.914 -0.030 0.000 2.378 1111 V HA 0.247 4.369 4.120 0.003 0.000 0.288 1111 V C 0.663 176.748 176.094 -0.016 0.000 1.016 1111 V CA -0.648 61.650 62.300 -0.003 0.000 0.840 1111 V CB 1.414 33.280 31.823 0.071 0.000 0.994 1111 V HN 0.040 nan 8.190 nan 0.000 0.431 1112 I N 2.114 122.669 120.570 -0.025 0.000 3.468 1112 I HA 0.641 4.813 4.170 0.003 0.000 0.276 1112 I C -0.083 176.025 176.117 -0.015 0.000 1.182 1112 I CA -0.559 60.731 61.300 -0.017 0.000 0.881 1112 I CB 0.701 38.696 38.000 -0.008 0.000 1.609 1112 I HN 0.628 nan 8.210 nan 0.000 0.780 1113 Q N 0.966 120.758 119.800 -0.013 0.000 2.352 1113 Q HA 0.428 4.770 4.340 0.003 0.000 0.270 1113 Q C -2.160 173.819 176.000 -0.035 0.000 1.006 1113 Q CA -0.773 55.015 55.803 -0.025 0.000 0.880 1113 Q CB 2.680 31.411 28.738 -0.012 0.000 1.392 1113 Q HN 0.649 nan 8.270 nan 0.000 0.401 1114 L N 5.158 126.370 121.223 -0.018 0.000 2.272 1114 L HA 0.632 4.974 4.340 0.003 0.000 0.289 1114 L C -2.589 174.248 176.870 -0.055 0.000 1.032 1114 L CA -1.814 53.026 54.840 -0.001 0.000 0.810 1114 L CB 1.300 43.421 42.059 0.104 0.000 1.205 1114 L HN 0.474 nan 8.230 nan 0.000 0.422 1115 P HA 0.214 nan 4.420 nan 0.000 0.275 1115 P C -0.100 177.150 177.300 -0.084 0.000 1.227 1115 P CA -0.075 62.972 63.100 -0.088 0.000 0.781 1115 P CB 0.993 32.679 31.700 -0.023 0.000 0.906 1116 A N 2.817 125.509 122.820 -0.214 0.000 1.865 1116 A HA -0.225 4.097 4.320 0.003 0.000 0.217 1116 A C 1.701 179.235 177.584 -0.082 0.000 1.191 1116 A CA 1.717 53.606 52.037 -0.246 0.000 0.623 1116 A CB -1.896 16.846 19.000 -0.429 0.000 0.826 1116 A HN 0.524 nan 8.150 nan 0.000 0.444 1117 F N 0.100 120.102 119.950 0.088 0.000 2.176 1117 F HA -0.211 4.318 4.527 0.003 0.000 0.301 1117 F C 1.808 177.680 175.800 0.121 0.000 1.071 1117 F CA 1.637 59.723 58.000 0.145 0.000 1.289 1117 F CB -0.588 38.468 39.000 0.093 0.000 1.028 1117 F HN 0.172 nan 8.300 nan 0.000 0.494 1118 L N -2.109 119.256 121.223 0.236 0.000 2.638 1118 L HA 0.399 4.741 4.340 0.003 0.000 0.232 1118 L C 2.369 179.287 176.870 0.081 0.000 1.099 1118 L CA 0.466 55.395 54.840 0.147 0.000 0.883 1118 L CB -1.050 41.081 42.059 0.120 0.000 1.136 1118 L HN -0.002 nan 8.230 nan 0.000 0.492 1119 A N 1.623 124.473 122.820 0.050 0.000 1.984 1119 A HA -0.261 4.061 4.320 0.003 0.000 0.224 1119 A C 1.709 179.291 177.584 -0.004 0.000 1.256 1119 A CA 1.820 53.858 52.037 0.001 0.000 0.679 1119 A CB -0.664 18.306 19.000 -0.051 0.000 0.829 1119 A HN 0.520 nan 8.150 nan 0.000 0.483 1120 R N -0.000 120.524 120.500 0.040 0.000 4.071 1120 R HA 0.254 4.596 4.340 0.003 0.000 0.220 1120 R C -0.959 175.355 176.300 0.024 0.000 1.614 1120 R CA -0.026 56.091 56.100 0.029 0.000 1.505 1120 R CB 0.327 30.674 30.300 0.079 0.000 1.384 1120 R HN 0.323 nan 8.270 nan 0.000 0.758 1121 Q N 0.426 120.221 119.800 -0.009 0.000 2.786 1121 Q HA 0.130 4.472 4.340 0.003 0.000 0.240 1121 Q C 0.407 176.380 176.000 -0.044 0.000 0.928 1121 Q CA -0.222 55.578 55.803 -0.006 0.000 0.721 1121 Q CB 1.744 30.496 28.738 0.023 0.000 1.318 1121 Q HN 0.224 nan 8.270 nan 0.000 0.474 1122 T N 0.820 115.344 114.554 -0.051 0.000 2.624 1122 T HA -0.183 4.169 4.350 0.003 0.000 0.268 1122 T C 1.039 175.707 174.700 -0.054 0.000 1.041 1122 T CA 2.002 64.059 62.100 -0.072 0.000 1.159 1122 T CB 0.128 68.966 68.868 -0.050 0.000 0.863 1122 T HN 0.443 nan 8.240 nan 0.000 0.434 1123 D N 0.938 121.324 120.400 -0.022 0.000 2.116 1123 D HA -0.086 4.556 4.640 0.003 0.000 0.193 1123 D C 2.097 178.399 176.300 0.004 0.000 0.998 1123 D CA 0.851 54.848 54.000 -0.005 0.000 0.836 1123 D CB -0.531 40.273 40.800 0.008 0.000 0.951 1123 D HN 0.218 nan 8.370 nan 0.000 0.449 1124 L N 0.754 121.983 121.223 0.009 0.000 2.141 1124 L HA -0.092 4.250 4.340 0.003 0.000 0.209 1124 L C 2.160 179.047 176.870 0.028 0.000 1.094 1124 L CA 1.175 56.034 54.840 0.031 0.000 0.763 1124 L CB -0.380 41.704 42.059 0.042 0.000 0.908 1124 L HN -0.152 nan 8.230 nan 0.000 0.437 1125 V N 0.069 119.956 119.914 -0.045 0.000 2.270 1125 V HA -0.274 3.848 4.120 0.003 0.000 0.245 1125 V C 2.587 178.642 176.094 -0.065 0.000 1.043 1125 V CA 1.903 64.109 62.300 -0.157 0.000 1.014 1125 V CB -0.637 30.925 31.823 -0.434 0.000 0.645 1125 V HN 0.642 nan 8.190 nan 0.000 0.447 1126 E N 0.474 120.635 120.200 -0.065 0.000 2.160 1126 E HA -0.240 4.112 4.350 0.003 0.000 0.195 1126 E C 2.076 178.709 176.600 0.055 0.000 0.991 1126 E CA 1.467 57.865 56.400 -0.003 0.000 0.810 1126 E CB -0.222 29.469 29.700 -0.015 0.000 0.742 1126 E HN 0.569 nan 8.360 nan 0.000 0.466 1127 A N 0.448 123.302 122.820 0.056 0.000 1.968 1127 A HA -0.069 4.253 4.320 0.003 0.000 0.217 1127 A C 2.094 179.738 177.584 0.100 0.000 1.169 1127 A CA 1.232 53.310 52.037 0.068 0.000 0.638 1127 A CB -0.281 18.754 19.000 0.059 0.000 0.812 1127 A HN 0.318 nan 8.150 nan 0.000 0.446 1128 M N -0.981 118.712 119.600 0.155 0.000 2.435 1128 M HA 0.069 4.551 4.480 0.003 0.000 0.265 1128 M C 2.357 178.812 176.300 0.258 0.000 1.104 1128 M CA 0.859 56.282 55.300 0.206 0.000 1.140 1128 M CB -0.122 32.663 32.600 0.308 0.000 1.372 1128 M HN 0.427 nan 8.290 nan 0.000 0.456 1129 A N 0.691 123.708 122.820 0.328 0.000 1.969 1129 A HA -0.139 4.183 4.320 0.003 0.000 0.218 1129 A C 2.092 179.768 177.584 0.153 0.000 1.169 1129 A CA 1.494 53.724 52.037 0.322 0.000 0.635 1129 A CB -0.356 18.787 19.000 0.239 0.000 0.810 1129 A HN 0.358 nan 8.150 nan 0.000 0.445 1130 K N -1.213 119.252 120.400 0.108 0.000 1.975 1130 K HA -0.118 4.204 4.320 0.003 0.000 0.217 1130 K C 2.204 178.835 176.600 0.051 0.000 1.037 1130 K CA 1.631 57.958 56.287 0.067 0.000 0.971 1130 K CB -0.660 31.872 32.500 0.053 0.000 0.749 1130 K HN 0.361 nan 8.250 nan 0.000 0.444 1131 T N -0.861 113.721 114.554 0.046 0.000 2.840 1131 T HA -0.322 4.029 4.350 0.003 0.000 0.255 1131 T C 1.302 176.011 174.700 0.014 0.000 1.037 1131 T CA 2.978 65.095 62.100 0.028 0.000 1.162 1131 T CB -0.876 68.008 68.868 0.027 0.000 0.833 1131 T HN 0.733 nan 8.240 nan 0.000 0.486 1132 G N 0.029 108.836 108.800 0.012 0.000 2.179 1132 G HA2 -0.063 3.899 3.960 0.003 0.000 0.260 1132 G HA3 -0.063 3.899 3.960 0.003 0.000 0.260 1132 G C 0.384 175.266 174.900 -0.031 0.000 0.977 1132 G CA 0.719 45.816 45.100 -0.006 0.000 0.641 1132 G HN 1.455 nan 8.290 nan 0.000 0.533 1133 A N -0.114 122.686 122.820 -0.034 0.000 2.346 1133 A HA 0.650 4.972 4.320 0.003 0.000 0.252 1133 A C 1.043 178.578 177.584 -0.083 0.000 1.089 1133 A CA 0.389 52.399 52.037 -0.045 0.000 0.797 1133 A CB 0.544 19.524 19.000 -0.033 0.000 1.047 1133 A HN 1.274 nan 8.150 nan 0.000 0.494 1134 V N 2.593 122.466 119.914 -0.069 0.000 2.557 1134 V HA -0.018 4.104 4.120 0.003 0.000 0.301 1134 V C 0.309 176.327 176.094 -0.127 0.000 1.026 1134 V CA 0.538 62.788 62.300 -0.084 0.000 1.137 1134 V CB -0.556 31.247 31.823 -0.033 0.000 0.917 1134 V HN 0.488 nan 8.190 nan 0.000 0.484 1135 I N 4.813 125.250 120.570 -0.220 0.000 2.460 1135 I HA 0.374 4.546 4.170 0.003 0.000 0.298 1135 I C 0.250 176.252 176.117 -0.192 0.000 0.989 1135 I CA -0.177 60.945 61.300 -0.295 0.000 1.173 1135 I CB 1.520 39.080 38.000 -0.733 0.000 1.338 1135 I HN 0.696 nan 8.210 nan 0.000 0.456 1136 N N 5.167 123.791 118.700 -0.127 0.000 2.573 1136 N HA 0.325 5.067 4.740 0.003 0.000 0.262 1136 N C -1.520 173.950 175.510 -0.066 0.000 1.029 1136 N CA -0.303 52.689 53.050 -0.097 0.000 0.882 1136 N CB 1.729 40.162 38.487 -0.090 0.000 1.204 1136 N HN 0.281 nan 8.380 nan 0.000 0.519 1137 V N 4.107 123.997 119.914 -0.040 0.000 2.408 1137 V HA 0.192 4.314 4.120 0.003 0.000 0.267 1137 V C 0.337 176.391 176.094 -0.067 0.000 1.047 1137 V CA -0.428 61.871 62.300 -0.002 0.000 0.937 1137 V CB 0.895 32.758 31.823 0.066 0.000 0.999 1137 V HN 0.486 nan 8.190 nan 0.000 0.472 1138 K N 4.623 124.962 120.400 -0.102 0.000 2.316 1138 K HA 0.172 4.494 4.320 0.003 0.000 0.289 1138 K C 0.201 176.702 176.600 -0.164 0.000 1.070 1138 K CA -0.211 55.981 56.287 -0.158 0.000 0.928 1138 K CB 0.671 33.047 32.500 -0.207 0.000 1.039 1138 K HN 0.574 nan 8.250 nan 0.000 0.480 1139 K N 5.225 125.535 120.400 -0.151 0.000 2.382 1139 K HA 0.065 4.387 4.320 0.003 0.000 0.286 1139 K C -2.268 174.178 176.600 -0.258 0.000 1.062 1139 K CA -1.262 54.918 56.287 -0.177 0.000 1.000 1139 K CB 0.227 32.645 32.500 -0.136 0.000 0.954 1139 K HN 0.162 nan 8.250 nan 0.000 0.470 1140 P HA -0.115 nan 4.420 nan 0.000 0.266 1140 P C 0.021 177.033 177.300 -0.481 0.000 1.193 1140 P CA 0.086 62.846 63.100 -0.565 0.000 0.770 1140 P CB 0.602 31.673 31.700 -1.049 0.000 0.836 1141 Q N 1.998 121.608 119.800 -0.318 0.000 2.297 1141 Q HA -0.112 4.230 4.340 0.003 0.000 0.204 1141 Q C 0.776 176.743 176.000 -0.055 0.000 0.962 1141 Q CA 1.467 57.200 55.803 -0.117 0.000 0.879 1141 Q CB -0.632 28.115 28.738 0.015 0.000 0.947 1141 Q HN 0.565 nan 8.270 nan 0.000 0.462 1142 F N -0.383 119.553 119.950 -0.022 0.000 2.660 1142 F HA 0.545 5.074 4.527 0.003 0.000 0.297 1142 F C -0.545 175.246 175.800 -0.016 0.000 1.132 1142 F CA -0.919 57.077 58.000 -0.007 0.000 1.372 1142 F CB 0.323 39.331 39.000 0.013 0.000 1.003 1142 F HN -0.241 nan 8.300 nan 0.000 0.524 1143 V N 0.844 120.565 119.914 -0.321 0.000 2.577 1143 V HA 0.375 4.497 4.120 0.003 0.000 0.303 1143 V C 0.177 176.182 176.094 -0.149 0.000 1.042 1143 V CA -1.097 61.070 62.300 -0.222 0.000 0.872 1143 V CB 1.425 33.042 31.823 -0.344 0.000 0.998 1143 V HN 0.385 nan 8.190 nan 0.000 0.423 1144 S N 5.549 121.199 115.700 -0.084 0.000 2.573 1144 S HA 0.186 4.658 4.470 0.003 0.000 0.277 1144 S C -1.025 173.518 174.600 -0.095 0.000 1.346 1144 S CA -0.435 57.718 58.200 -0.078 0.000 1.034 1144 S CB 0.669 63.839 63.200 -0.049 0.000 0.879 1144 S HN 0.684 nan 8.310 nan 0.000 0.528 1145 P HA -0.018 nan 4.420 nan 0.000 0.221 1145 P C 1.157 178.415 177.300 -0.071 0.000 1.145 1145 P CA 1.540 64.577 63.100 -0.105 0.000 0.795 1145 P CB -0.527 31.093 31.700 -0.133 0.000 0.775 1146 G N -0.553 108.213 108.800 -0.057 0.000 3.141 1146 G HA2 -0.060 3.902 3.960 0.003 0.000 0.218 1146 G HA3 -0.060 3.902 3.960 0.003 0.000 0.218 1146 G C 1.303 176.183 174.900 -0.033 0.000 1.170 1146 G CA 0.010 45.087 45.100 -0.039 0.000 0.769 1146 G HN 0.160 nan 8.290 nan 0.000 0.546 1147 Q N 0.046 119.820 119.800 -0.043 0.000 2.319 1147 Q HA 0.217 4.559 4.340 0.003 0.000 0.202 1147 Q C 1.803 177.780 176.000 -0.037 0.000 0.896 1147 Q CA 0.004 55.784 55.803 -0.037 0.000 0.942 1147 Q CB 0.211 28.922 28.738 -0.045 0.000 1.083 1147 Q HN 0.373 nan 8.270 nan 0.000 0.510 1148 M N -0.276 119.301 119.600 -0.039 0.000 2.740 1148 M HA 0.072 4.554 4.480 0.003 0.000 0.230 1148 M C 1.413 177.710 176.300 -0.005 0.000 1.100 1148 M CA 0.355 55.638 55.300 -0.027 0.000 1.047 1148 M CB -0.910 31.673 32.600 -0.030 0.000 1.652 1148 M HN 0.082 nan 8.290 nan 0.000 0.528 1149 G N 1.248 110.045 108.800 -0.006 0.000 2.417 1149 G HA2 -0.137 3.825 3.960 0.003 0.000 0.212 1149 G HA3 -0.137 3.825 3.960 0.003 0.000 0.212 1149 G C 1.362 176.266 174.900 0.006 0.000 1.187 1149 G CA 0.038 45.141 45.100 0.004 0.000 0.804 1149 G HN 0.413 nan 8.290 nan 0.000 0.534 1150 N N 1.062 119.758 118.700 -0.006 0.000 2.149 1150 N HA -0.115 4.627 4.740 0.003 0.000 0.188 1150 N C 1.996 177.492 175.510 -0.024 0.000 1.019 1150 N CA 0.991 54.033 53.050 -0.014 0.000 0.857 1150 N CB -0.243 38.232 38.487 -0.020 0.000 0.997 1150 N HN 0.236 nan 8.380 nan 0.000 0.426 1151 I N 0.851 121.410 120.570 -0.018 0.000 2.179 1151 I HA -0.167 4.005 4.170 0.003 0.000 0.242 1151 I C 2.273 178.425 176.117 0.059 0.000 1.088 1151 I CA 0.703 61.991 61.300 -0.020 0.000 1.357 1151 I CB -0.624 37.381 38.000 0.009 0.000 1.051 1151 I HN -0.114 nan 8.210 nan 0.000 0.409 1152 V N 0.444 120.417 119.914 0.098 0.000 2.548 1152 V HA -0.212 3.910 4.120 0.003 0.000 0.249 1152 V C 1.994 178.163 176.094 0.125 0.000 1.055 1152 V CA 1.584 63.978 62.300 0.156 0.000 1.065 1152 V CB -0.772 31.106 31.823 0.092 0.000 0.681 1152 V HN 0.374 nan 8.190 nan 0.000 0.462 1153 D N 0.678 121.113 120.400 0.058 0.000 2.084 1153 D HA -0.133 4.509 4.640 0.003 0.000 0.196 1153 D C 2.122 178.439 176.300 0.027 0.000 0.985 1153 D CA 1.127 55.150 54.000 0.038 0.000 0.826 1153 D CB -0.247 40.561 40.800 0.013 0.000 0.978 1153 D HN 0.385 nan 8.370 nan 0.000 0.456 1154 K N -0.417 119.965 120.400 -0.031 0.000 2.520 1154 K HA -0.105 4.217 4.320 0.003 0.000 0.197 1154 K C 1.445 177.961 176.600 -0.141 0.000 1.043 1154 K CA 0.497 56.718 56.287 -0.111 0.000 0.944 1154 K CB 0.018 32.400 32.500 -0.197 0.000 0.770 1154 K HN 0.094 nan 8.250 nan 0.000 0.480 1155 F N 0.709 120.659 119.950 -0.001 0.000 2.500 1155 F HA 0.092 4.621 4.527 0.003 0.000 0.285 1155 F C 2.168 177.969 175.800 0.002 0.000 1.088 1155 F CA 0.258 58.258 58.000 -0.000 0.000 1.432 1155 F CB -0.032 38.967 39.000 -0.003 0.000 1.131 1155 F HN -0.172 nan 8.300 nan 0.000 0.582 1156 K N 0.879 121.397 120.400 0.196 0.000 2.001 1156 K HA -0.241 4.081 4.320 0.003 0.000 0.214 1156 K C 1.828 178.481 176.600 0.088 0.000 1.050 1156 K CA 2.234 58.589 56.287 0.112 0.000 0.934 1156 K CB -0.227 32.316 32.500 0.073 0.000 0.718 1156 K HN 0.222 nan 8.250 nan 0.000 0.443 1157 E N -0.638 119.601 120.200 0.066 0.000 2.086 1157 E HA -0.197 4.155 4.350 0.003 0.000 0.200 1157 E C 1.842 178.474 176.600 0.053 0.000 1.012 1157 E CA 1.316 57.741 56.400 0.042 0.000 0.812 1157 E CB -0.360 29.351 29.700 0.018 0.000 0.743 1157 E HN 0.595 nan 8.360 nan 0.000 0.453 1158 G N -0.614 108.233 108.800 0.077 0.000 2.653 1158 G HA2 -0.038 3.923 3.960 0.003 0.000 0.212 1158 G HA3 -0.038 3.923 3.960 0.003 0.000 0.212 1158 G C 1.054 176.011 174.900 0.096 0.000 1.138 1158 G CA 0.555 45.710 45.100 0.092 0.000 0.782 1158 G HN 0.475 nan 8.290 nan 0.000 0.535 1159 G N -0.782 108.068 108.800 0.083 0.000 2.176 1159 G HA2 -0.296 3.666 3.960 0.003 0.000 0.253 1159 G HA3 -0.296 3.666 3.960 0.003 0.000 0.253 1159 G C 0.204 175.139 174.900 0.058 0.000 0.979 1159 G CA 0.211 45.347 45.100 0.060 0.000 0.641 1159 G HN 0.672 nan 8.290 nan 0.000 0.530 1160 N N 0.679 119.431 118.700 0.088 0.000 2.424 1160 N HA 0.440 5.182 4.740 0.003 0.000 0.271 1160 N C 0.171 175.693 175.510 0.020 0.000 0.985 1160 N CA -0.232 52.839 53.050 0.035 0.000 0.921 1160 N CB 1.046 39.537 38.487 0.007 0.000 1.149 1160 N HN 0.414 nan 8.380 nan 0.000 0.492 1161 E N 2.027 122.221 120.200 -0.011 0.000 2.789 1161 E HA 0.088 4.440 4.350 0.003 0.000 0.208 1161 E C -0.698 175.881 176.600 -0.035 0.000 0.988 1161 E CA -0.031 56.364 56.400 -0.007 0.000 1.092 1161 E CB 0.428 30.134 29.700 0.010 0.000 1.066 1161 E HN 0.502 nan 8.360 nan 0.000 0.465 1162 K N 0.475 120.828 120.400 -0.079 0.000 2.530 1162 K HA 0.462 4.784 4.320 0.003 0.000 0.230 1162 K C -0.660 175.859 176.600 -0.135 0.000 1.002 1162 K CA -0.512 55.727 56.287 -0.079 0.000 1.014 1162 K CB 1.556 34.017 32.500 -0.065 0.000 1.286 1162 K HN -0.193 nan 8.250 nan 0.000 0.480 1163 V N 3.577 123.427 119.914 -0.106 0.000 2.735 1163 V HA 0.479 4.601 4.120 0.003 0.000 0.310 1163 V C -0.780 175.279 176.094 -0.059 0.000 1.061 1163 V CA -0.979 61.244 62.300 -0.127 0.000 0.913 1163 V CB 1.725 33.478 31.823 -0.117 0.000 1.005 1163 V HN 0.567 nan 8.190 nan 0.000 0.428 1164 I N 4.214 124.744 120.570 -0.067 0.000 2.569 1164 I HA 0.512 4.684 4.170 0.003 0.000 0.296 1164 I C -0.436 175.649 176.117 -0.055 0.000 1.028 1164 I CA -0.328 60.943 61.300 -0.048 0.000 1.082 1164 I CB 1.915 39.873 38.000 -0.070 0.000 1.264 1164 I HN 0.382 nan 8.210 nan 0.000 0.429 1165 L N 5.039 126.243 121.223 -0.031 0.000 2.296 1165 L HA 0.500 4.842 4.340 0.003 0.000 0.286 1165 L C -0.717 176.137 176.870 -0.026 0.000 1.023 1165 L CA -0.508 54.319 54.840 -0.022 0.000 0.812 1165 L CB 1.540 43.602 42.059 0.006 0.000 1.223 1165 L HN 0.574 nan 8.230 nan 0.000 0.421 1166 C N 2.930 122.197 119.300 -0.055 0.000 2.298 1166 C HA 0.398 4.860 4.460 0.003 0.000 0.323 1166 C C -0.129 174.857 174.990 -0.007 0.000 1.284 1166 C CA -0.592 58.395 59.018 -0.052 0.000 1.577 1166 C CB 0.737 28.376 27.740 -0.168 0.000 2.249 1166 C HN 0.850 nan 8.230 nan 0.000 0.497 1167 D N 2.914 123.391 120.400 0.129 0.000 2.198 1167 D HA 0.585 5.227 4.640 0.003 0.000 0.245 1167 D C 0.404 176.846 176.300 0.237 0.000 1.079 1167 D CA -0.354 53.725 54.000 0.133 0.000 0.854 1167 D CB 0.707 41.593 40.800 0.144 0.000 1.148 1167 D HN 0.645 nan 8.370 nan 0.000 0.456 1168 R N 2.586 123.147 120.500 0.101 0.000 2.727 1168 R HA 0.548 4.890 4.340 0.003 0.000 0.410 1168 R C 0.420 176.786 176.300 0.109 0.000 1.101 1168 R CA -0.507 55.672 56.100 0.133 0.000 1.045 1168 R CB 0.143 30.448 30.300 0.008 0.000 1.380 1168 R HN 0.534 nan 8.270 nan 0.000 0.587 1169 G N -0.476 108.376 108.800 0.088 0.000 2.756 1169 G HA2 0.292 4.254 3.960 0.003 0.000 0.678 1169 G HA3 0.292 4.254 3.960 0.003 0.000 0.678 1169 G C -0.812 174.072 174.900 -0.026 0.000 1.349 1169 G CA -0.525 44.592 45.100 0.027 0.000 0.847 1169 G HN 0.768 nan 8.290 nan 0.000 0.548 1170 A N 0.072 122.883 122.820 -0.015 0.000 2.498 1170 A HA 0.797 5.119 4.320 0.003 0.000 0.298 1170 A C 0.065 177.691 177.584 0.070 0.000 1.075 1170 A CA -0.554 51.484 52.037 0.002 0.000 0.714 1170 A CB 1.121 20.106 19.000 -0.026 0.000 1.299 1170 A HN 1.051 nan 8.150 nan 0.000 0.407 1171 N N 0.604 119.359 118.700 0.093 0.000 2.412 1171 N HA 0.094 4.836 4.740 0.003 0.000 0.258 1171 N C -1.429 174.192 175.510 0.185 0.000 1.236 1171 N CA 0.934 54.060 53.050 0.128 0.000 0.882 1171 N CB 0.305 38.858 38.487 0.109 0.000 1.066 1171 N HN 0.505 nan 8.380 nan 0.000 0.465 1172 F N 2.072 122.021 119.950 -0.002 0.000 2.564 1172 F HA 0.409 4.937 4.527 0.003 0.000 0.368 1172 F C 0.748 176.527 175.800 -0.036 0.000 1.127 1172 F CA 0.052 58.039 58.000 -0.021 0.000 1.170 1172 F CB -0.075 38.920 39.000 -0.008 0.000 1.397 1172 F HN 0.721 nan 8.300 nan 0.000 0.493 1173 G N 2.659 111.288 108.800 -0.285 0.000 2.593 1173 G HA2 -0.289 3.673 3.960 0.003 0.000 0.237 1173 G HA3 -0.289 3.673 3.960 0.003 0.000 0.237 1173 G C -1.237 173.530 174.900 -0.222 0.000 1.312 1173 G CA -0.504 44.372 45.100 -0.372 0.000 0.896 1173 G HN 0.436 nan 8.290 nan 0.000 0.574 1174 Y N 2.066 122.344 120.300 -0.037 0.000 2.299 1174 Y HA 0.409 4.961 4.550 0.003 0.000 0.326 1174 Y C 1.105 177.020 175.900 0.026 0.000 1.164 1174 Y CA 0.049 58.148 58.100 -0.001 0.000 1.234 1174 Y CB 0.733 39.189 38.460 -0.008 0.000 1.219 1174 Y HN 0.599 nan 8.280 nan 0.000 0.497 1175 D N 2.298 122.839 120.400 0.236 0.000 2.802 1175 D HA -0.315 4.327 4.640 0.003 0.000 0.229 1175 D C -0.458 175.925 176.300 0.138 0.000 1.203 1175 D CA 0.973 55.065 54.000 0.153 0.000 0.712 1175 D CB -0.819 40.051 40.800 0.117 0.000 0.973 1175 D HN 0.798 nan 8.370 nan 0.000 0.407 1176 N N -0.274 118.513 118.700 0.146 0.000 2.815 1176 N HA 0.477 5.219 4.740 0.003 0.000 0.253 1176 N C -1.562 174.050 175.510 0.170 0.000 1.202 1176 N CA -0.625 52.520 53.050 0.159 0.000 0.925 1176 N CB 1.405 40.012 38.487 0.200 0.000 1.622 1176 N HN -0.025 nan 8.380 nan 0.000 0.497 1177 L N 1.997 123.306 121.223 0.142 0.000 2.401 1177 L HA 0.730 5.072 4.340 0.003 0.000 0.266 1177 L C -0.938 175.965 176.870 0.055 0.000 0.991 1177 L CA -0.937 53.969 54.840 0.111 0.000 0.818 1177 L CB 2.108 44.219 42.059 0.087 0.000 1.321 1177 L HN 0.305 nan 8.230 nan 0.000 0.413 1178 V N 3.059 122.969 119.914 -0.007 0.000 2.789 1178 V HA 0.577 4.699 4.120 0.003 0.000 0.311 1178 V C -0.971 175.070 176.094 -0.089 0.000 1.073 1178 V CA -0.506 61.714 62.300 -0.134 0.000 0.921 1178 V CB 2.647 34.219 31.823 -0.419 0.000 1.009 1178 V HN 0.404 nan 8.190 nan 0.000 0.426 1179 V N 4.954 124.820 119.914 -0.080 0.000 2.370 1179 V HA 0.379 4.501 4.120 0.003 0.000 0.279 1179 V C -0.319 175.646 176.094 -0.216 0.000 1.029 1179 V CA -0.433 61.795 62.300 -0.121 0.000 0.870 1179 V CB 1.589 33.389 31.823 -0.037 0.000 0.984 1179 V HN 0.951 nan 8.190 nan 0.000 0.451 1180 D N 5.275 125.501 120.400 -0.290 0.000 2.365 1180 D HA 0.200 4.842 4.640 0.003 0.000 0.237 1180 D C 0.946 177.006 176.300 -0.401 0.000 1.190 1180 D CA -0.364 53.468 54.000 -0.281 0.000 0.867 1180 D CB 1.134 41.791 40.800 -0.239 0.000 1.050 1180 D HN 0.305 nan 8.370 nan 0.000 0.491 1181 M N 3.416 122.867 119.600 -0.250 0.000 2.632 1181 M HA -0.044 4.438 4.480 0.003 0.000 0.256 1181 M C 1.232 177.468 176.300 -0.106 0.000 1.080 1181 M CA 0.680 55.893 55.300 -0.146 0.000 1.084 1181 M CB -0.286 32.311 32.600 -0.006 0.000 1.439 1181 M HN 0.534 nan 8.290 nan 0.000 0.509 1182 L N -1.665 119.456 121.223 -0.169 0.000 2.529 1182 L HA 0.129 4.471 4.340 0.003 0.000 0.223 1182 L C 2.305 179.080 176.870 -0.158 0.000 1.113 1182 L CA 0.100 54.876 54.840 -0.108 0.000 0.861 1182 L CB -0.614 41.393 42.059 -0.086 0.000 1.012 1182 L HN 0.288 nan 8.230 nan 0.000 0.461 1183 G N -0.071 108.534 108.800 -0.326 0.000 2.484 1183 G HA2 -0.210 3.752 3.960 0.003 0.000 0.218 1183 G HA3 -0.210 3.752 3.960 0.003 0.000 0.218 1183 G C 1.256 175.981 174.900 -0.292 0.000 1.130 1183 G CA 0.230 45.121 45.100 -0.347 0.000 0.784 1183 G HN 0.168 nan 8.290 nan 0.000 0.543 1184 F N 1.676 121.563 119.950 -0.106 0.000 2.146 1184 F HA 0.009 4.538 4.527 0.003 0.000 0.298 1184 F C 2.949 178.715 175.800 -0.057 0.000 1.096 1184 F CA 1.239 59.185 58.000 -0.090 0.000 1.275 1184 F CB -0.548 38.386 39.000 -0.110 0.000 1.008 1184 F HN 0.068 nan 8.300 nan 0.000 0.480 1185 S N 0.067 115.840 115.700 0.121 0.000 2.387 1185 S HA -0.043 4.429 4.470 0.003 0.000 0.226 1185 S C 2.120 176.736 174.600 0.027 0.000 1.026 1185 S CA 0.685 58.923 58.200 0.063 0.000 0.972 1185 S CB -0.419 62.806 63.200 0.041 0.000 0.814 1185 S HN 0.254 nan 8.310 nan 0.000 0.477 1186 I N 1.216 121.784 120.570 -0.003 0.000 2.700 1186 I HA -0.180 3.992 4.170 0.003 0.000 0.261 1186 I C 2.086 178.195 176.117 -0.013 0.000 1.219 1186 I CA 1.023 62.311 61.300 -0.019 0.000 1.463 1186 I CB -0.223 37.749 38.000 -0.046 0.000 1.092 1186 I HN 0.329 nan 8.210 nan 0.000 0.452 1187 M N -0.392 119.208 119.600 -0.000 0.000 2.357 1187 M HA -0.066 4.416 4.480 0.003 0.000 0.266 1187 M C 2.174 178.490 176.300 0.026 0.000 1.095 1187 M CA 1.179 56.484 55.300 0.009 0.000 1.156 1187 M CB -0.146 32.468 32.600 0.023 0.000 1.365 1187 M HN 0.000 nan 8.290 nan 0.000 0.447 1188 K N 0.894 121.319 120.400 0.042 0.000 1.991 1188 K HA -0.201 4.121 4.320 0.003 0.000 0.212 1188 K C 2.009 178.623 176.600 0.024 0.000 1.049 1188 K CA 1.492 57.801 56.287 0.037 0.000 0.932 1188 K CB -0.363 32.163 32.500 0.043 0.000 0.717 1188 K HN 0.212 nan 8.250 nan 0.000 0.441 1189 K N 1.485 121.897 120.400 0.019 0.000 2.015 1189 K HA -0.204 4.118 4.320 0.003 0.000 0.220 1189 K C 1.978 178.583 176.600 0.009 0.000 1.055 1189 K CA 2.396 58.690 56.287 0.012 0.000 0.951 1189 K CB -0.423 32.081 32.500 0.007 0.000 0.725 1189 K HN 0.180 nan 8.250 nan 0.000 0.449 1190 V N 0.133 120.051 119.914 0.006 0.000 3.305 1190 V HA -0.014 4.108 4.120 0.003 0.000 0.269 1190 V C 1.215 177.315 176.094 0.010 0.000 1.157 1190 V CA 1.621 63.923 62.300 0.004 0.000 1.157 1190 V CB -0.371 31.450 31.823 -0.003 0.000 0.772 1190 V HN 0.455 nan 8.190 nan 0.000 0.498 1191 S N -0.545 115.164 115.700 0.015 0.000 2.562 1191 S HA 0.524 4.996 4.470 0.003 0.000 0.246 1191 S C 1.422 176.035 174.600 0.021 0.000 1.056 1191 S CA 0.293 58.505 58.200 0.020 0.000 1.042 1191 S CB -0.080 63.134 63.200 0.022 0.000 0.822 1191 S HN 1.748 nan 8.310 nan 0.000 0.465 1192 G N 2.275 111.086 108.800 0.018 0.000 2.233 1192 G HA2 -0.372 3.590 3.960 0.003 0.000 0.270 1192 G HA3 -0.372 3.590 3.960 0.003 0.000 0.270 1192 G C 0.419 175.330 174.900 0.018 0.000 1.011 1192 G CA 0.158 45.268 45.100 0.017 0.000 0.762 1192 G HN 0.717 nan 8.290 nan 0.000 0.511 1193 N N -1.645 117.067 118.700 0.020 0.000 2.818 1193 N HA -0.176 4.566 4.740 0.003 0.000 0.250 1193 N C 0.622 176.147 175.510 0.024 0.000 1.108 1193 N CA 1.216 54.279 53.050 0.022 0.000 0.745 1193 N CB -1.412 37.087 38.487 0.021 0.000 1.104 1193 N HN 0.681 nan 8.380 nan 0.000 0.557 1194 S N 0.877 116.591 115.700 0.023 0.000 2.572 1194 S HA 0.175 4.647 4.470 0.003 0.000 0.267 1194 S C -2.022 172.594 174.600 0.028 0.000 1.361 1194 S CA -0.343 57.870 58.200 0.022 0.000 1.009 1194 S CB 0.542 63.752 63.200 0.017 0.000 0.888 1194 S HN 0.075 nan 8.310 nan 0.000 0.553 1195 P HA 0.198 nan 4.420 nan 0.000 0.268 1195 P C -1.310 176.010 177.300 0.033 0.000 1.205 1195 P CA -0.099 63.026 63.100 0.041 0.000 0.771 1195 P CB 0.470 32.204 31.700 0.057 0.000 0.858 1196 V N 5.035 124.973 119.914 0.041 0.000 2.540 1196 V HA 0.513 4.635 4.120 0.003 0.000 0.302 1196 V C 0.310 176.424 176.094 0.032 0.000 1.035 1196 V CA -0.503 61.828 62.300 0.053 0.000 0.873 1196 V CB 1.358 33.242 31.823 0.102 0.000 0.992 1196 V HN 0.399 nan 8.190 nan 0.000 0.428 1197 I N 1.077 121.671 120.570 0.040 0.000 2.892 1197 I HA 0.684 4.856 4.170 0.003 0.000 0.306 1197 I C -1.502 174.725 176.117 0.183 0.000 1.078 1197 I CA -0.801 60.531 61.300 0.053 0.000 1.032 1197 I CB 2.367 40.334 38.000 -0.055 0.000 1.229 1197 I HN 0.458 nan 8.210 nan 0.000 0.435 1198 F N 3.784 123.733 119.950 -0.002 0.000 2.402 1198 F HA 0.422 4.950 4.527 0.003 0.000 0.355 1198 F C -0.350 175.508 175.800 0.098 0.000 1.123 1198 F CA -1.250 56.798 58.000 0.079 0.000 1.021 1198 F CB 0.983 39.981 39.000 -0.004 0.000 1.160 1198 F HN 0.537 nan 8.300 nan 0.000 0.451 1199 D N 6.099 126.553 120.400 0.090 0.000 2.494 1199 D HA 0.056 4.698 4.640 0.003 0.000 0.217 1199 D C 1.091 177.105 176.300 -0.476 0.000 1.153 1199 D CA 0.145 54.041 54.000 -0.173 0.000 0.954 1199 D CB 0.841 41.473 40.800 -0.280 0.000 1.034 1199 D HN 0.484 nan 8.370 nan 0.000 0.518 1200 V N 3.890 123.339 119.914 -0.775 0.000 2.261 1200 V HA -0.245 3.877 4.120 0.003 0.000 0.246 1200 V C 2.237 178.141 176.094 -0.316 0.000 1.047 1200 V CA 3.098 64.901 62.300 -0.828 0.000 1.015 1200 V CB -0.637 30.836 31.823 -0.583 0.000 0.642 1200 V HN 0.746 nan 8.190 nan 0.000 0.446 1201 T N -2.540 111.889 114.554 -0.209 0.000 2.759 1201 T HA -0.281 4.071 4.350 0.003 0.000 0.269 1201 T C 1.649 176.336 174.700 -0.022 0.000 1.042 1201 T CA 2.176 64.200 62.100 -0.128 0.000 1.140 1201 T CB -0.932 67.851 68.868 -0.142 0.000 0.864 1201 T HN 0.786 nan 8.240 nan 0.000 0.455 1202 H N 0.518 119.564 119.070 -0.041 0.000 2.548 1202 H HA 0.514 5.072 4.556 0.003 0.000 0.268 1202 H C 2.330 177.639 175.328 -0.032 0.000 0.975 1202 H CA 0.141 56.163 56.048 -0.043 0.000 1.195 1202 H CB 0.085 29.783 29.762 -0.107 0.000 1.397 1202 H HN 0.527 nan 8.280 nan 0.000 0.572 1203 A N 0.573 123.438 122.820 0.075 0.000 2.251 1203 A HA 0.140 4.462 4.320 0.003 0.000 0.209 1203 A C 1.004 178.642 177.584 0.090 0.000 1.187 1203 A CA 0.237 52.337 52.037 0.106 0.000 0.823 1203 A CB 0.140 19.264 19.000 0.208 0.000 0.846 1203 A HN 0.289 nan 8.150 nan 0.000 0.486 1204 L N 0.553 121.815 121.223 0.065 0.000 3.096 1204 L HA 0.181 4.523 4.340 0.003 0.000 0.272 1204 L C -0.202 176.707 176.870 0.065 0.000 1.311 1204 L CA -0.513 54.362 54.840 0.057 0.000 0.943 1204 L CB -0.238 41.839 42.059 0.029 0.000 1.348 1204 L HN 0.457 nan 8.230 nan 0.000 0.562 1219 A N 0.552 123.372 122.820 -0.000 0.000 2.291 1219 A HA 0.052 4.374 4.320 0.003 0.000 0.220 1219 A C 0.605 178.201 177.584 0.021 0.000 1.262 1219 A CA 0.707 52.748 52.037 0.007 0.000 0.867 1219 A CB -0.317 18.690 19.000 0.012 0.000 0.888 1219 A HN 0.486 nan 8.150 nan 0.000 0.487 1220 Q N -1.414 118.397 119.800 0.019 0.000 2.317 1220 Q HA 0.086 4.428 4.340 0.003 0.000 0.220 1220 Q C 1.398 177.426 176.000 0.047 0.000 0.873 1220 Q CA 0.189 56.014 55.803 0.037 0.000 0.936 1220 Q CB 0.385 29.145 28.738 0.036 0.000 1.105 1220 Q HN 0.431 nan 8.270 nan 0.000 0.520 1221 V N 0.997 120.916 119.914 0.009 0.000 2.546 1221 V HA -0.304 3.818 4.120 0.003 0.000 0.254 1221 V C 2.042 178.209 176.094 0.121 0.000 1.076 1221 V CA 2.089 64.379 62.300 -0.016 0.000 1.087 1221 V CB -0.666 31.054 31.823 -0.171 0.000 0.674 1221 V HN 0.398 nan 8.190 nan 0.000 0.470 1222 A N 0.777 123.704 122.820 0.179 0.000 1.850 1222 A HA -0.120 4.202 4.320 0.003 0.000 0.212 1222 A C 2.239 179.941 177.584 0.198 0.000 1.208 1222 A CA 1.056 53.294 52.037 0.333 0.000 0.609 1222 A CB -0.395 18.769 19.000 0.273 0.000 0.860 1222 A HN 0.668 nan 8.150 nan 0.000 0.448 1223 E N 0.055 120.332 120.200 0.128 0.000 2.118 1223 E HA -0.174 4.178 4.350 0.003 0.000 0.195 1223 E C 1.890 178.558 176.600 0.114 0.000 0.992 1223 E CA 1.217 57.673 56.400 0.095 0.000 0.804 1223 E CB -0.438 29.304 29.700 0.070 0.000 0.741 1223 E HN 0.484 nan 8.360 nan 0.000 0.458 1224 L N 0.480 121.790 121.223 0.146 0.000 2.179 1224 L HA 0.018 4.360 4.340 0.003 0.000 0.208 1224 L C 2.414 179.465 176.870 0.301 0.000 1.096 1224 L CA 1.174 56.139 54.840 0.209 0.000 0.779 1224 L CB -0.414 41.767 42.059 0.203 0.000 0.922 1224 L HN 0.259 nan 8.230 nan 0.000 0.443 1225 A N -0.191 122.772 122.820 0.240 0.000 1.970 1225 A HA -0.148 4.174 4.320 0.003 0.000 0.216 1225 A C 2.244 179.887 177.584 0.097 0.000 1.170 1225 A CA 0.716 52.885 52.037 0.220 0.000 0.645 1225 A CB -0.299 18.868 19.000 0.279 0.000 0.816 1225 A HN 0.350 nan 8.150 nan 0.000 0.447 1226 R N -0.349 120.184 120.500 0.055 0.000 2.075 1226 R HA -0.057 4.285 4.340 0.003 0.000 0.232 1226 R C 2.498 178.806 176.300 0.012 0.000 1.126 1226 R CA 1.192 57.286 56.100 -0.010 0.000 0.963 1226 R CB -0.456 29.842 30.300 -0.003 0.000 0.858 1226 R HN 0.487 nan 8.270 nan 0.000 0.435 1227 A N 0.956 123.811 122.820 0.059 0.000 1.877 1227 A HA -0.095 4.227 4.320 0.003 0.000 0.216 1227 A C 2.393 179.991 177.584 0.023 0.000 1.186 1227 A CA 1.820 53.884 52.037 0.046 0.000 0.620 1227 A CB -1.226 17.812 19.000 0.064 0.000 0.822 1227 A HN 0.467 nan 8.150 nan 0.000 0.443 1228 G N -0.681 108.157 108.800 0.063 0.000 2.480 1228 G HA2 -0.252 3.710 3.960 0.003 0.000 0.216 1228 G HA3 -0.252 3.710 3.960 0.003 0.000 0.216 1228 G C 1.518 176.309 174.900 -0.183 0.000 1.200 1228 G CA 1.438 46.486 45.100 -0.086 0.000 0.782 1228 G HN 0.326 nan 8.290 nan 0.000 0.554 1229 M N 1.256 120.787 119.600 -0.115 0.000 2.108 1229 M HA 0.005 4.487 4.480 0.003 0.000 0.261 1229 M C 3.003 179.231 176.300 -0.121 0.000 1.066 1229 M CA 1.231 56.420 55.300 -0.184 0.000 1.107 1229 M CB -1.373 31.069 32.600 -0.263 0.000 1.356 1229 M HN 0.331 nan 8.290 nan 0.000 0.406 1230 A N -0.403 122.377 122.820 -0.067 0.000 2.019 1230 A HA -0.068 4.254 4.320 0.003 0.000 0.219 1230 A C 2.484 180.068 177.584 0.001 0.000 1.164 1230 A CA 1.420 53.452 52.037 -0.009 0.000 0.644 1230 A CB -0.894 18.113 19.000 0.010 0.000 0.805 1230 A HN 0.300 nan 8.150 nan 0.000 0.449 1231 V N -0.829 119.060 119.914 -0.041 0.000 2.343 1231 V HA 0.155 4.277 4.120 0.003 0.000 0.247 1231 V C 1.378 177.453 176.094 -0.031 0.000 1.051 1231 V CA 1.553 63.837 62.300 -0.028 0.000 1.036 1231 V CB -1.219 30.575 31.823 -0.048 0.000 0.654 1231 V HN 1.328 nan 8.190 nan 0.000 0.451 1232 G N -0.066 108.687 108.800 -0.079 0.000 3.353 1232 G HA2 -0.027 3.935 3.960 0.003 0.000 0.682 1232 G HA3 -0.027 3.935 3.960 0.003 0.000 0.682 1232 G C -1.172 173.666 174.900 -0.104 0.000 1.192 1232 G CA -0.594 44.477 45.100 -0.049 0.000 1.111 1232 G HN 0.289 nan 8.290 nan 0.000 0.493 1233 L N 1.427 122.590 121.223 -0.100 0.000 2.350 1233 L HA 0.782 5.124 4.340 0.003 0.000 0.260 1233 L C 1.547 178.434 176.870 0.029 0.000 1.015 1233 L CA -0.721 54.057 54.840 -0.104 0.000 0.821 1233 L CB 1.815 43.739 42.059 -0.225 0.000 1.370 1233 L HN 0.777 nan 8.230 nan 0.000 0.416 1234 A N 0.861 123.711 122.820 0.050 0.000 1.929 1234 A HA 0.401 4.723 4.320 0.003 0.000 0.216 1234 A C 0.875 178.593 177.584 0.223 0.000 1.176 1234 A CA 1.527 53.635 52.037 0.118 0.000 0.628 1234 A CB -0.279 18.780 19.000 0.099 0.000 0.816 1234 A HN 0.868 nan 8.150 nan 0.000 0.444 1235 G N -2.503 106.439 108.800 0.237 0.000 2.706 1235 G HA2 0.526 4.488 3.960 0.003 0.000 0.307 1235 G HA3 0.526 4.488 3.960 0.003 0.000 0.307 1235 G C -1.897 173.202 174.900 0.332 0.000 1.307 1235 G CA -0.133 45.217 45.100 0.416 0.000 0.790 1235 G HN 0.790 nan 8.290 nan 0.000 0.503 1236 L N -0.515 120.987 121.223 0.465 0.000 2.588 1236 L HA 0.757 5.099 4.340 0.003 0.000 0.263 1236 L C -2.105 175.009 176.870 0.406 0.000 0.935 1236 L CA -0.698 54.342 54.840 0.332 0.000 0.891 1236 L CB 1.879 44.070 42.059 0.219 0.000 1.318 1236 L HN 0.558 nan 8.230 nan 0.000 0.409 1237 F N 6.411 126.414 119.950 0.089 0.000 2.436 1237 F HA 0.841 5.370 4.527 0.003 0.000 0.340 1237 F C -0.758 175.012 175.800 -0.049 0.000 1.113 1237 F CA -0.598 57.425 58.000 0.038 0.000 1.022 1237 F CB 1.198 40.149 39.000 -0.082 0.000 1.128 1237 F HN 0.543 nan 8.300 nan 0.000 0.466 1238 I N 3.778 124.305 120.570 -0.072 0.000 3.066 1238 I HA 0.383 4.555 4.170 0.003 0.000 0.307 1238 I C -1.894 174.130 176.117 -0.155 0.000 1.366 1238 I CA -0.489 60.796 61.300 -0.025 0.000 0.972 1238 I CB 2.458 40.488 38.000 0.049 0.000 1.307 1238 I HN 0.656 nan 8.210 nan 0.000 0.470 1239 E N 3.564 123.729 120.200 -0.058 0.000 2.340 1239 E HA 0.765 5.117 4.350 0.003 0.000 0.273 1239 E C -1.488 175.151 176.600 0.066 0.000 0.891 1239 E CA -1.003 55.402 56.400 0.007 0.000 0.757 1239 E CB 2.417 32.128 29.700 0.019 0.000 1.231 1239 E HN 0.644 nan 8.360 nan 0.000 0.439 1240 A N 2.088 124.997 122.820 0.147 0.000 2.515 1240 A HA 0.671 4.993 4.320 0.003 0.000 0.296 1240 A C -1.540 176.145 177.584 0.169 0.000 1.094 1240 A CA -0.546 51.549 52.037 0.096 0.000 0.718 1240 A CB 1.879 20.871 19.000 -0.015 0.000 1.307 1240 A HN 0.657 nan 8.150 nan 0.000 0.408 1241 H N 0.599 119.688 119.070 0.031 0.000 2.974 1241 H HA 0.334 4.892 4.556 0.003 0.000 0.366 1241 H C -2.422 172.927 175.328 0.034 0.000 1.155 1241 H CA -1.337 54.742 56.048 0.051 0.000 1.186 1241 H CB 2.761 32.556 29.762 0.056 0.000 1.799 1241 H HN 0.316 nan 8.280 nan 0.000 0.541 1242 P HA -0.113 nan 4.420 nan 0.000 0.216 1242 P C -0.224 177.145 177.300 0.116 0.000 1.153 1242 P CA 1.456 64.553 63.100 -0.005 0.000 0.858 1242 P CB 0.376 32.025 31.700 -0.085 0.000 0.789 1243 D N -2.847 117.727 120.400 0.290 0.000 2.400 1243 D HA 0.183 4.825 4.640 0.003 0.000 0.272 1243 D C -2.006 174.431 176.300 0.228 0.000 1.220 1243 D CA -2.162 51.982 54.000 0.241 0.000 0.897 1243 D CB 0.395 41.325 40.800 0.218 0.000 1.134 1243 D HN -0.143 nan 8.370 nan 0.000 0.507 1244 P HA -0.172 nan 4.420 nan 0.000 0.215 1244 P C 0.801 178.092 177.300 -0.014 0.000 1.157 1244 P CA 1.122 64.239 63.100 0.029 0.000 0.874 1244 P CB 0.427 32.143 31.700 0.026 0.000 0.790 1245 E N -1.010 119.187 120.200 -0.006 0.000 1.891 1245 E HA -0.265 4.087 4.350 0.003 0.000 0.221 1245 E C 2.027 178.585 176.600 -0.071 0.000 0.927 1245 E CA 1.249 57.603 56.400 -0.075 0.000 0.909 1245 E CB -0.995 28.619 29.700 -0.144 0.000 0.807 1245 E HN 0.358 nan 8.360 nan 0.000 0.591 1246 H N -0.288 118.781 119.070 -0.001 0.000 2.375 1246 H HA -0.244 4.314 4.556 0.003 0.000 0.289 1246 H C 1.945 177.261 175.328 -0.021 0.000 1.121 1246 H CA 1.746 57.793 56.048 -0.002 0.000 1.207 1246 H CB -0.483 29.287 29.762 0.012 0.000 1.355 1246 H HN 0.360 nan 8.280 nan 0.000 0.486 1247 A N 1.773 124.640 122.820 0.078 0.000 2.119 1247 A HA -0.064 4.258 4.320 0.003 0.000 0.216 1247 A C 1.109 178.640 177.584 -0.089 0.000 1.152 1247 A CA 0.186 52.194 52.037 -0.049 0.000 0.708 1247 A CB -0.388 18.467 19.000 -0.242 0.000 0.805 1247 A HN 0.545 nan 8.150 nan 0.000 0.460 1248 K N -0.425 119.936 120.400 -0.065 0.000 2.569 1248 K HA 0.090 4.412 4.320 0.003 0.000 0.280 1248 K C -0.201 176.384 176.600 -0.026 0.000 0.984 1248 K CA 0.580 56.836 56.287 -0.051 0.000 1.064 1248 K CB -0.106 32.371 32.500 -0.038 0.000 0.866 1248 K HN 0.261 nan 8.250 nan 0.000 0.492 1249 C N 1.348 120.640 119.300 -0.014 0.000 3.704 1249 C HA 0.496 4.958 4.460 0.003 0.000 0.100 1249 C C -0.860 174.141 174.990 0.018 0.000 2.715 1249 C CA -0.399 58.624 59.018 0.008 0.000 1.416 1249 C CB 0.721 28.472 27.740 0.018 0.000 2.723 1249 C HN 1.012 nan 8.230 nan 0.000 0.460 1250 D N -1.783 118.636 120.400 0.031 0.000 2.653 1250 D HA 0.524 5.166 4.640 0.003 0.000 0.258 1250 D C 0.263 176.595 176.300 0.054 0.000 1.252 1250 D CA 1.153 55.177 54.000 0.040 0.000 0.777 1250 D CB 1.656 42.477 40.800 0.036 0.000 1.339 1250 D HN 0.992 nan 8.370 nan 0.000 0.422 1251 G N 0.371 109.207 108.800 0.060 0.000 2.261 1251 G HA2 -0.111 3.851 3.960 0.003 0.000 0.228 1251 G HA3 -0.111 3.851 3.960 0.003 0.000 0.228 1251 G C -2.616 172.334 174.900 0.084 0.000 2.090 1251 G CA -0.168 44.968 45.100 0.061 0.000 1.588 1251 G HN 0.492 nan 8.290 nan 0.000 0.520 1252 P HA 0.577 nan 4.420 nan 0.000 0.325 1252 P C -0.845 176.534 177.300 0.132 0.000 1.298 1252 P CA 0.408 63.660 63.100 0.253 0.000 0.771 1252 P CB 1.454 33.437 31.700 0.470 0.000 1.389 1253 S N -1.878 113.882 115.700 0.100 0.000 2.381 1253 S HA 0.688 5.160 4.470 0.003 0.000 0.193 1253 S C -0.264 174.342 174.600 0.009 0.000 1.287 1253 S CA -0.816 57.407 58.200 0.039 0.000 1.199 1253 S CB -0.180 63.034 63.200 0.022 0.000 1.214 1253 S HN 0.563 nan 8.310 nan 0.000 0.444 1254 A N 2.746 125.580 122.820 0.023 0.000 2.547 1254 A HA 0.491 4.813 4.320 0.003 0.000 0.233 1254 A C 0.209 177.777 177.584 -0.026 0.000 1.067 1254 A CA -0.199 51.850 52.037 0.021 0.000 0.763 1254 A CB 0.007 19.057 19.000 0.085 0.000 1.007 1254 A HN 1.180 nan 8.150 nan 0.000 0.506 1255 L N 2.540 123.727 121.223 -0.060 0.000 2.379 1255 L HA 0.586 4.928 4.340 0.003 0.000 0.269 1255 L C -2.387 174.442 176.870 -0.069 0.000 1.084 1255 L CA -1.904 52.853 54.840 -0.138 0.000 0.802 1255 L CB 1.166 43.062 42.059 -0.271 0.000 1.175 1255 L HN 0.329 nan 8.230 nan 0.000 0.448 1256 P HA 0.204 nan 4.420 nan 0.000 0.280 1256 P C 0.826 178.106 177.300 -0.033 0.000 1.300 1256 P CA -0.183 62.904 63.100 -0.021 0.000 0.785 1256 P CB 0.796 32.487 31.700 -0.015 0.000 0.874 1257 L N 3.364 124.577 121.223 -0.015 0.000 2.026 1257 L HA -0.368 3.974 4.340 0.003 0.000 0.231 1257 L C 2.256 179.192 176.870 0.109 0.000 1.095 1257 L CA 2.372 57.215 54.840 0.005 0.000 0.810 1257 L CB -1.036 41.087 42.059 0.106 0.000 0.909 1257 L HN 0.379 nan 8.230 nan 0.000 0.444 1258 A N -1.395 121.480 122.820 0.092 0.000 2.255 1258 A HA -0.209 4.113 4.320 0.003 0.000 0.218 1258 A C 1.968 179.596 177.584 0.072 0.000 1.175 1258 A CA 1.645 53.733 52.037 0.085 0.000 0.682 1258 A CB -0.281 18.732 19.000 0.022 0.000 0.784 1258 A HN 0.323 nan 8.150 nan 0.000 0.482 1259 K N -1.069 119.352 120.400 0.034 0.000 2.374 1259 K HA 0.325 4.647 4.320 0.003 0.000 0.202 1259 K C 1.427 178.050 176.600 0.038 0.000 1.040 1259 K CA -0.243 56.062 56.287 0.030 0.000 1.085 1259 K CB -0.172 32.330 32.500 0.004 0.000 0.873 1259 K HN 0.509 nan 8.250 nan 0.000 0.539 1260 L N 1.399 122.595 121.223 -0.045 0.000 1.965 1260 L HA -0.326 4.016 4.340 0.003 0.000 0.226 1260 L C 2.422 179.321 176.870 0.048 0.000 1.083 1260 L CA 2.027 56.815 54.840 -0.086 0.000 0.790 1260 L CB -0.231 41.556 42.059 -0.454 0.000 0.898 1260 L HN 0.318 nan 8.230 nan 0.000 0.439 1261 E N -0.247 119.950 120.200 -0.005 0.000 2.048 1261 E HA -0.239 4.113 4.350 0.003 0.000 0.202 1261 E C -0.807 175.826 176.600 0.056 0.000 1.021 1261 E CA 2.149 58.565 56.400 0.025 0.000 0.825 1261 E CB -0.736 28.983 29.700 0.032 0.000 0.756 1261 E HN 0.406 nan 8.360 nan 0.000 0.454 1262 P HA -0.149 nan 4.420 nan 0.000 0.225 1262 P C 1.119 178.477 177.300 0.096 0.000 1.148 1262 P CA 0.995 64.136 63.100 0.068 0.000 0.779 1262 P CB -0.149 31.590 31.700 0.067 0.000 0.780 1263 F N 0.572 120.516 119.950 -0.009 0.000 2.317 1263 F HA 0.093 4.622 4.527 0.003 0.000 0.293 1263 F C 2.089 177.892 175.800 0.006 0.000 1.085 1263 F CA 0.731 58.727 58.000 -0.007 0.000 1.390 1263 F CB -0.689 38.302 39.000 -0.016 0.000 1.077 1263 F HN -0.333 nan 8.300 nan 0.000 0.517 1264 L N 0.304 121.494 121.223 -0.054 0.000 2.291 1264 L HA -0.110 4.231 4.340 0.003 0.000 0.214 1264 L C 2.223 179.051 176.870 -0.070 0.000 1.120 1264 L CA 0.908 55.694 54.840 -0.089 0.000 0.799 1264 L CB -0.544 41.552 42.059 0.061 0.000 0.925 1264 L HN 0.099 nan 8.230 nan 0.000 0.446 1265 K N -0.430 119.937 120.400 -0.055 0.000 2.148 1265 K HA -0.138 4.184 4.320 0.003 0.000 0.204 1265 K C 2.138 178.696 176.600 -0.071 0.000 1.050 1265 K CA 0.799 57.065 56.287 -0.036 0.000 0.942 1265 K CB 0.064 32.554 32.500 -0.017 0.000 0.724 1265 K HN 0.340 nan 8.250 nan 0.000 0.446 1266 Q N 0.097 119.814 119.800 -0.139 0.000 2.050 1266 Q HA -0.125 4.217 4.340 0.003 0.000 0.202 1266 Q C 2.163 178.041 176.000 -0.204 0.000 0.980 1266 Q CA 1.206 56.907 55.803 -0.170 0.000 0.840 1266 Q CB -0.108 28.485 28.738 -0.243 0.000 0.898 1266 Q HN 0.332 nan 8.270 nan 0.000 0.424 1267 M N 0.787 120.204 119.600 -0.305 0.000 2.059 1267 M HA -0.131 4.351 4.480 0.003 0.000 0.259 1267 M C 2.151 178.377 176.300 -0.123 0.000 1.072 1267 M CA 1.416 56.513 55.300 -0.339 0.000 1.117 1267 M CB -1.168 31.110 32.600 -0.537 0.000 1.320 1267 M HN 0.113 nan 8.290 nan 0.000 0.408 1268 K N 0.343 120.797 120.400 0.090 0.000 2.034 1268 K HA -0.166 4.156 4.320 0.003 0.000 0.214 1268 K C 1.973 178.598 176.600 0.042 0.000 1.051 1268 K CA 1.927 58.320 56.287 0.176 0.000 0.931 1268 K CB -0.177 32.388 32.500 0.109 0.000 0.715 1268 K HN 0.298 nan 8.250 nan 0.000 0.446 1269 A N 0.970 123.784 122.820 -0.010 0.000 2.024 1269 A HA -0.165 4.157 4.320 0.003 0.000 0.220 1269 A C 1.919 179.475 177.584 -0.047 0.000 1.164 1269 A CA 1.384 53.402 52.037 -0.031 0.000 0.643 1269 A CB -0.377 18.602 19.000 -0.035 0.000 0.806 1269 A HN 0.277 nan 8.150 nan 0.000 0.451 1270 I N -0.566 119.968 120.570 -0.061 0.000 2.364 1270 I HA -0.081 4.091 4.170 0.003 0.000 0.241 1270 I C 2.087 178.165 176.117 -0.065 0.000 1.082 1270 I CA 1.634 62.894 61.300 -0.067 0.000 1.401 1270 I CB -1.556 36.386 38.000 -0.098 0.000 1.126 1270 I HN 0.424 nan 8.210 nan 0.000 0.429 1271 D N 0.977 121.340 120.400 -0.061 0.000 2.265 1271 D HA -0.222 4.420 4.640 0.003 0.000 0.208 1271 D C 1.518 177.835 176.300 0.029 0.000 0.977 1271 D CA 1.344 55.350 54.000 0.010 0.000 0.871 1271 D CB 0.223 41.137 40.800 0.191 0.000 0.925 1271 D HN 0.201 nan 8.370 nan 0.000 0.485 1272 D N -0.420 119.975 120.400 -0.009 0.000 2.290 1272 D HA -0.039 4.603 4.640 0.003 0.000 0.224 1272 D C 2.129 178.324 176.300 -0.175 0.000 0.967 1272 D CA 0.023 53.988 54.000 -0.058 0.000 0.893 1272 D CB -0.434 40.342 40.800 -0.041 0.000 1.037 1272 D HN 0.181 nan 8.370 nan 0.000 0.477 1273 L N 1.048 122.149 121.223 -0.203 0.000 2.043 1273 L HA -0.169 4.173 4.340 0.003 0.000 0.212 1273 L C 2.130 178.510 176.870 -0.817 0.000 1.075 1273 L CA 1.359 55.963 54.840 -0.394 0.000 0.752 1273 L CB -0.158 41.765 42.059 -0.227 0.000 0.891 1273 L HN -0.069 nan 8.230 nan 0.000 0.432 1274 V N -0.492 119.176 119.914 -0.411 0.000 2.446 1274 V HA -0.170 3.952 4.120 0.003 0.000 0.244 1274 V C 2.297 178.323 176.094 -0.114 0.000 1.039 1274 V CA 1.210 63.395 62.300 -0.192 0.000 1.045 1274 V CB -0.168 31.729 31.823 0.123 0.000 0.681 1274 V HN 0.316 nan 8.190 nan 0.000 0.459 1275 K N 1.115 121.453 120.400 -0.103 0.000 2.442 1275 K HA -0.055 4.267 4.320 0.003 0.000 0.198 1275 K C 1.242 177.805 176.600 -0.062 0.000 1.044 1275 K CA 1.034 57.298 56.287 -0.038 0.000 0.948 1275 K CB -0.409 32.085 32.500 -0.009 0.000 0.762 1275 K HN 0.454 nan 8.250 nan 0.000 0.472 1276 G N -0.605 108.091 108.800 -0.174 0.000 4.547 1276 G HA2 0.210 4.172 3.960 0.003 0.000 0.301 1276 G HA3 0.210 4.172 3.960 0.003 0.000 0.301 1276 G C -0.850 173.983 174.900 -0.112 0.000 1.240 1276 G CA -0.496 44.527 45.100 -0.129 0.000 0.970 1276 G HN -0.014 nan 8.290 nan 0.000 0.574 1277 F N 0.797 120.748 119.950 0.003 0.000 2.399 1277 F HA 0.427 4.956 4.527 0.003 0.000 0.328 1277 F C 0.669 176.469 175.800 0.001 0.000 1.084 1277 F CA -1.472 56.528 58.000 0.001 0.000 1.053 1277 F CB 1.358 40.357 39.000 -0.002 0.000 1.209 1277 F HN -0.039 nan 8.300 nan 0.000 0.502 1278 E N 1.852 122.201 120.200 0.248 0.000 2.265 1278 E HA -0.037 4.315 4.350 0.003 0.000 0.272 1278 E C 0.001 176.648 176.600 0.078 0.000 1.067 1278 E CA -0.105 56.365 56.400 0.117 0.000 0.900 1278 E CB 0.367 30.115 29.700 0.080 0.000 1.017 1278 E HN 0.568 nan 8.360 nan 0.000 0.431 1279 E N 2.649 122.887 120.200 0.063 0.000 2.829 1279 E HA -0.137 4.215 4.350 0.003 0.000 0.264 1279 E C -0.780 175.827 176.600 0.012 0.000 0.922 1279 E CA 0.210 56.633 56.400 0.039 0.000 0.960 1279 E CB 0.344 30.062 29.700 0.030 0.000 0.918 1279 E HN 0.168 nan 8.360 nan 0.000 0.497 1280 L N 4.652 125.872 121.223 -0.006 0.000 2.342 1280 L HA 0.415 4.757 4.340 0.003 0.000 0.271 1280 L C -1.030 175.828 176.870 -0.021 0.000 1.008 1280 L CA -0.367 54.456 54.840 -0.028 0.000 0.818 1280 L CB 2.044 44.064 42.059 -0.066 0.000 1.296 1280 L HN 0.497 nan 8.230 nan 0.000 0.427 1281 D N 1.587 121.974 120.400 -0.021 0.000 2.420 1281 D HA 0.188 4.830 4.640 0.003 0.000 0.255 1281 D C 0.259 176.547 176.300 -0.020 0.000 1.185 1281 D CA 0.049 54.039 54.000 -0.016 0.000 0.904 1281 D CB 1.459 42.253 40.800 -0.010 0.000 1.102 1281 D HN 0.752 nan 8.370 nan 0.000 0.534 1282 T N -0.449 114.091 114.554 -0.022 0.000 3.129 1282 T HA -0.055 4.297 4.350 0.003 0.000 0.251 1282 T C 1.782 176.471 174.700 -0.017 0.000 1.117 1282 T CA 0.506 62.592 62.100 -0.023 0.000 1.034 1282 T CB 0.299 69.150 68.868 -0.028 0.000 0.968 1282 T HN 0.190 nan 8.240 nan 0.000 0.526 1283 S N 2.017 117.708 115.700 -0.014 0.000 2.370 1283 S HA -0.092 4.380 4.470 0.003 0.000 0.226 1283 S C 0.886 175.480 174.600 -0.010 0.000 1.033 1283 S CA 0.630 58.824 58.200 -0.011 0.000 1.011 1283 S CB -0.305 62.890 63.200 -0.008 0.000 0.852 1283 S HN 0.865 nan 8.310 nan 0.000 0.457 1284 K N 0.000 120.394 120.400 -0.010 0.000 2.780 1284 K HA 0.000 4.322 4.320 0.003 0.000 0.191 1284 K CA 0.000 56.282 56.287 -0.009 0.000 0.838 1284 K CB 0.000 32.496 32.500 -0.007 0.000 1.064 1284 K HN 0.000 nan 8.250 nan 0.000 0.543