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 1l8p_1_C DATA FIRST_RESID 1001 DATA SEQUENCE AVSKVYARSV YDSRGNPTVE VELTTEKGVF RSIVPSGAAT GVHEALEMRD DATA SEQUENCE GDKSKWMGKG VLHAVKNVND VIAPAFVKAN IDVKDQKAVD DFLISLDGTA DATA SEQUENCE NKSKLGANAI LGVSLAASRA AAAEKNVPLY KHLADLSKSK TSPYVLPVPF DATA SEQUENCE LNVLNGGSHA GGALALQEFM IAPTGAKTFA EALRIGSEVY HNLKSLTKKR DATA SEQUENCE YGASAGNVGD EGGVAPNIQT AEEALDLIVD AIKAAGHDGK VKIGLDCASS DATA SEQUENCE EFFKDGKYDL DFKNPNSDKS KWLTGPQLAD LYHSLMKRYP IVSIEDPFAE DATA SEQUENCE DDWEAWSHFF KTAGIQIVAD DLTVTNPKRI ATAIEKKAAD ALLLKVNQIG DATA SEQUENCE TLSESIKAAQ DSFAAGWGVM VSHRSGETED TFIADLVVGL RTGQIKTGAP DATA SEQUENCE ARSERLAKLN QLLRIEEELG DNAVFAGENF HHGDKL 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 A HA 0.000 nan 4.320 nan 0.000 0.244 1001 A C 0.000 177.614 177.584 0.049 0.000 1.274 1001 A CA 0.000 52.049 52.037 0.020 0.000 0.836 1001 A CB 0.000 19.006 19.000 0.009 0.000 0.831 1002 V N 2.983 122.942 119.914 0.074 0.000 2.439 1002 V HA 0.314 4.434 4.120 0.001 0.000 0.271 1002 V C 1.534 177.685 176.094 0.095 0.000 1.040 1002 V CA 1.008 63.378 62.300 0.117 0.000 1.002 1002 V CB 0.640 32.599 31.823 0.226 0.000 1.000 1002 V HN 1.336 nan 8.190 nan 0.000 0.477 1003 S N 3.196 118.943 115.700 0.079 0.000 2.492 1003 S HA 0.224 4.694 4.470 0.001 0.000 0.218 1003 S C 0.478 175.115 174.600 0.062 0.000 1.016 1003 S CA -0.091 58.145 58.200 0.060 0.000 0.916 1003 S CB 0.278 63.505 63.200 0.044 0.000 0.791 1003 S HN 0.685 nan 8.310 nan 0.000 0.513 1004 K N 0.357 120.798 120.400 0.069 0.000 2.557 1004 K HA 0.545 4.865 4.320 0.001 0.000 0.257 1004 K C -2.308 174.327 176.600 0.058 0.000 0.933 1004 K CA -0.571 55.754 56.287 0.064 0.000 0.820 1004 K CB 2.394 34.920 32.500 0.043 0.000 1.330 1004 K HN 0.042 nan 8.250 nan 0.000 0.432 1005 V N 4.502 124.451 119.914 0.059 0.000 2.443 1005 V HA 0.438 4.559 4.120 0.001 0.000 0.293 1005 V C -1.431 174.726 176.094 0.105 0.000 1.021 1005 V CA -0.756 61.551 62.300 0.012 0.000 0.848 1005 V CB 1.230 32.991 31.823 -0.104 0.000 0.998 1005 V HN 0.733 nan 8.190 nan 0.000 0.424 1006 Y N 3.809 124.084 120.300 -0.043 0.000 2.477 1006 Y HA 0.829 5.379 4.550 0.001 0.000 0.347 1006 Y C -0.243 175.637 175.900 -0.034 0.000 0.981 1006 Y CA -0.610 57.474 58.100 -0.027 0.000 1.033 1006 Y CB 2.035 40.486 38.460 -0.015 0.000 1.245 1006 Y HN 0.747 nan 8.280 nan 0.000 0.455 1007 A N 5.975 128.326 122.820 -0.780 0.000 2.413 1007 A HA 0.976 5.296 4.320 0.001 0.000 0.307 1007 A C -1.253 175.828 177.584 -0.839 0.000 1.087 1007 A CA -0.901 50.779 52.037 -0.595 0.000 0.750 1007 A CB 1.580 20.383 19.000 -0.328 0.000 1.296 1007 A HN 0.927 nan 8.150 nan 0.000 0.423 1008 R N -0.144 120.101 120.500 -0.425 0.000 2.734 1008 R HA 0.721 5.061 4.340 0.001 0.000 0.271 1008 R C -1.222 174.970 176.300 -0.180 0.000 1.021 1008 R CA -0.564 55.379 56.100 -0.262 0.000 0.893 1008 R CB 1.163 31.423 30.300 -0.067 0.000 1.244 1008 R HN 0.441 nan 8.270 nan 0.000 0.464 1009 S N 0.537 116.144 115.700 -0.156 0.000 2.525 1009 S HA 0.546 5.017 4.470 0.001 0.000 0.278 1009 S C -0.083 174.402 174.600 -0.191 0.000 1.234 1009 S CA -0.479 57.572 58.200 -0.248 0.000 1.058 1009 S CB 1.293 64.287 63.200 -0.343 0.000 0.983 1009 S HN 0.485 nan 8.310 nan 0.000 0.495 1010 V N 0.963 120.725 119.914 -0.253 0.000 3.156 1010 V HA 0.701 4.821 4.120 0.001 0.000 0.310 1010 V C -1.876 174.044 176.094 -0.291 0.000 1.234 1010 V CA -1.123 61.106 62.300 -0.118 0.000 1.065 1010 V CB 0.903 32.716 31.823 -0.017 0.000 1.088 1010 V HN 0.697 nan 8.190 nan 0.000 0.451 1011 Y N 1.099 121.365 120.300 -0.056 0.000 2.409 1011 Y HA 0.653 5.204 4.550 0.001 0.000 0.339 1011 Y C 0.242 176.119 175.900 -0.038 0.000 1.033 1011 Y CA -0.582 57.485 58.100 -0.056 0.000 1.094 1011 Y CB 1.316 39.771 38.460 -0.008 0.000 1.210 1011 Y HN 0.978 nan 8.280 nan 0.000 0.456 1012 D N -0.929 119.512 120.400 0.069 0.000 2.506 1012 D HA 0.095 4.735 4.640 0.001 0.000 0.272 1012 D C 1.045 177.390 176.300 0.076 0.000 1.214 1012 D CA -0.300 53.727 54.000 0.045 0.000 1.067 1012 D CB 0.391 41.188 40.800 -0.005 0.000 1.117 1012 D HN 0.412 nan 8.370 nan 0.000 0.578 1013 S N -1.202 114.529 115.700 0.052 0.000 2.500 1013 S HA -0.135 4.336 4.470 0.001 0.000 0.239 1013 S C 1.481 176.115 174.600 0.056 0.000 0.989 1013 S CA 0.472 58.703 58.200 0.053 0.000 0.951 1013 S CB -0.386 62.838 63.200 0.041 0.000 0.759 1013 S HN 0.495 nan 8.310 nan 0.000 0.523 1014 R N 0.350 120.886 120.500 0.059 0.000 2.362 1014 R HA 0.260 4.601 4.340 0.001 0.000 0.227 1014 R C 1.245 177.598 176.300 0.090 0.000 0.905 1014 R CA 0.433 56.572 56.100 0.065 0.000 1.067 1014 R CB 0.144 30.476 30.300 0.055 0.000 1.078 1014 R HN 0.577 nan 8.270 nan 0.000 0.516 1015 G N 1.235 110.110 108.800 0.124 0.000 2.132 1015 G HA2 -0.270 3.690 3.960 0.001 0.000 0.228 1015 G HA3 -0.270 3.690 3.960 0.001 0.000 0.228 1015 G C -0.454 174.615 174.900 0.282 0.000 1.000 1015 G CA -0.106 45.117 45.100 0.204 0.000 0.693 1015 G HN 0.381 nan 8.290 nan 0.000 0.515 1016 N N 0.931 119.714 118.700 0.139 0.000 2.417 1016 N HA 0.584 5.324 4.740 0.001 0.000 0.300 1016 N C -2.760 172.619 175.510 -0.218 0.000 1.102 1016 N CA -1.842 51.209 53.050 0.000 0.000 0.886 1016 N CB 1.906 40.375 38.487 -0.029 0.000 1.203 1016 N HN -0.002 nan 8.380 nan 0.000 0.496 1017 P HA 0.081 nan 4.420 nan 0.000 0.269 1017 P C -0.640 176.369 177.300 -0.486 0.000 1.209 1017 P CA 0.057 62.657 63.100 -0.833 0.000 0.776 1017 P CB 1.009 31.939 31.700 -1.284 0.000 0.876 1018 T N 0.810 115.114 114.554 -0.417 0.000 2.787 1018 T HA 0.412 4.762 4.350 0.001 0.000 0.297 1018 T C -1.286 173.265 174.700 -0.249 0.000 1.221 1018 T CA -0.595 61.344 62.100 -0.268 0.000 1.006 1018 T CB 0.759 69.525 68.868 -0.170 0.000 1.328 1018 T HN -0.044 nan 8.240 nan 0.000 0.509 1019 V N 2.700 122.502 119.914 -0.187 0.000 2.465 1019 V HA 0.547 4.668 4.120 0.001 0.000 0.279 1019 V C 0.160 176.177 176.094 -0.130 0.000 1.045 1019 V CA -0.391 61.809 62.300 -0.168 0.000 0.938 1019 V CB 1.211 32.946 31.823 -0.147 0.000 0.986 1019 V HN 0.850 nan 8.190 nan 0.000 0.467 1020 E N 3.856 123.981 120.200 -0.126 0.000 2.199 1020 E HA 0.640 4.991 4.350 0.001 0.000 0.265 1020 E C -1.797 174.747 176.600 -0.092 0.000 0.882 1020 E CA -0.515 55.835 56.400 -0.082 0.000 0.759 1020 E CB 2.131 31.802 29.700 -0.048 0.000 1.148 1020 E HN 0.452 nan 8.360 nan 0.000 0.412 1021 V N 4.099 123.974 119.914 -0.066 0.000 2.555 1021 V HA 0.374 4.494 4.120 0.001 0.000 0.302 1021 V C -0.573 175.523 176.094 0.003 0.000 1.038 1021 V CA -0.688 61.575 62.300 -0.061 0.000 0.887 1021 V CB 1.808 33.579 31.823 -0.088 0.000 0.991 1021 V HN 0.743 nan 8.190 nan 0.000 0.434 1022 E N 3.983 124.213 120.200 0.049 0.000 2.199 1022 E HA 0.576 4.926 4.350 0.001 0.000 0.265 1022 E C -1.241 175.405 176.600 0.077 0.000 0.882 1022 E CA -0.594 55.858 56.400 0.086 0.000 0.759 1022 E CB 2.927 32.703 29.700 0.127 0.000 1.148 1022 E HN 0.502 nan 8.360 nan 0.000 0.412 1023 L N 2.386 123.663 121.223 0.090 0.000 2.333 1023 L HA 0.484 4.824 4.340 0.001 0.000 0.280 1023 L C -0.982 175.991 176.870 0.172 0.000 1.004 1023 L CA -0.275 54.615 54.840 0.083 0.000 0.820 1023 L CB 1.756 43.834 42.059 0.032 0.000 1.247 1023 L HN 0.463 nan 8.230 nan 0.000 0.416 1024 T N 2.580 117.208 114.554 0.123 0.000 2.794 1024 T HA 0.624 4.975 4.350 0.001 0.000 0.280 1024 T C -0.061 174.726 174.700 0.147 0.000 0.987 1024 T CA -0.398 61.775 62.100 0.122 0.000 0.993 1024 T CB 1.496 70.394 68.868 0.050 0.000 0.939 1024 T HN 0.784 nan 8.240 nan 0.000 0.449 1025 T N -1.081 113.591 114.554 0.197 0.000 2.669 1025 T HA 0.402 4.752 4.350 0.001 0.000 0.283 1025 T C 1.041 175.819 174.700 0.131 0.000 1.019 1025 T CA -0.832 61.362 62.100 0.156 0.000 1.039 1025 T CB 1.367 70.333 68.868 0.164 0.000 1.374 1025 T HN 0.434 nan 8.240 nan 0.000 0.523 1026 E N 0.361 120.618 120.200 0.095 0.000 2.472 1026 E HA -0.076 4.274 4.350 0.001 0.000 0.200 1026 E C 0.888 177.543 176.600 0.091 0.000 1.046 1026 E CA 0.727 57.168 56.400 0.070 0.000 0.871 1026 E CB -0.151 29.575 29.700 0.044 0.000 0.806 1026 E HN 0.504 nan 8.360 nan 0.000 0.533 1027 K N 0.600 121.101 120.400 0.169 0.000 2.367 1027 K HA 0.262 4.582 4.320 0.001 0.000 0.194 1027 K C 0.979 177.696 176.600 0.194 0.000 1.027 1027 K CA 0.684 57.103 56.287 0.221 0.000 1.075 1027 K CB 1.190 33.873 32.500 0.304 0.000 0.845 1027 K HN 0.300 nan 8.250 nan 0.000 0.529 1028 G N 0.025 108.889 108.800 0.108 0.000 2.270 1028 G HA2 -0.086 3.875 3.960 0.001 0.000 0.268 1028 G HA3 -0.086 3.875 3.960 0.001 0.000 0.268 1028 G C -1.594 173.093 174.900 -0.354 0.000 1.312 1028 G CA -0.763 44.220 45.100 -0.194 0.000 1.050 1028 G HN -0.138 nan 8.290 nan 0.000 0.474 1029 V N 0.610 120.178 119.914 -0.576 0.000 2.398 1029 V HA 0.722 4.843 4.120 0.001 0.000 0.286 1029 V C -0.766 174.888 176.094 -0.734 0.000 1.026 1029 V CA -0.371 61.681 62.300 -0.413 0.000 0.868 1029 V CB 1.043 32.744 31.823 -0.203 0.000 0.982 1029 V HN 0.572 nan 8.190 nan 0.000 0.443 1030 F N 3.883 123.840 119.950 0.011 0.000 2.467 1030 F HA 0.645 5.172 4.527 0.001 0.000 0.336 1030 F C 0.262 176.071 175.800 0.016 0.000 1.123 1030 F CA -0.562 57.448 58.000 0.016 0.000 0.964 1030 F CB 1.552 40.561 39.000 0.015 0.000 1.136 1030 F HN 0.333 nan 8.300 nan 0.000 0.447 1031 R N 1.707 122.288 120.500 0.135 0.000 2.589 1031 R HA 0.814 5.154 4.340 0.001 0.000 0.293 1031 R C -1.248 175.107 176.300 0.092 0.000 0.963 1031 R CA -0.356 55.797 56.100 0.088 0.000 0.905 1031 R CB 1.631 31.961 30.300 0.051 0.000 1.144 1031 R HN 0.743 nan 8.270 nan 0.000 0.459 1032 S N 3.857 119.584 115.700 0.045 0.000 2.548 1032 S HA 0.526 4.997 4.470 0.001 0.000 0.276 1032 S C -0.862 173.727 174.600 -0.018 0.000 1.129 1032 S CA -0.676 57.533 58.200 0.016 0.000 0.931 1032 S CB 1.465 64.641 63.200 -0.039 0.000 1.068 1032 S HN 0.509 nan 8.310 nan 0.000 0.480 1033 I N 1.730 122.290 120.570 -0.015 0.000 2.530 1033 I HA 0.489 4.659 4.170 0.001 0.000 0.297 1033 I C -0.675 175.413 176.117 -0.048 0.000 1.011 1033 I CA -1.207 60.074 61.300 -0.031 0.000 1.107 1033 I CB 1.841 39.836 38.000 -0.007 0.000 1.285 1033 I HN 0.245 nan 8.210 nan 0.000 0.436 1034 V N 6.964 126.838 119.914 -0.067 0.000 2.461 1034 V HA 0.270 4.390 4.120 0.001 0.000 0.275 1034 V C -1.779 174.281 176.094 -0.056 0.000 1.047 1034 V CA -1.258 61.000 62.300 -0.071 0.000 0.955 1034 V CB 0.874 32.645 31.823 -0.086 0.000 0.988 1034 V HN 0.620 nan 8.190 nan 0.000 0.471 1035 P HA 0.290 nan 4.420 nan 0.000 0.279 1035 P C -0.670 176.604 177.300 -0.043 0.000 1.282 1035 P CA -0.435 62.649 63.100 -0.027 0.000 0.788 1035 P CB 1.360 33.059 31.700 -0.003 0.000 1.139 1036 S N -1.108 114.566 115.700 -0.043 0.000 2.614 1036 S HA 0.604 5.074 4.470 0.001 0.000 0.275 1036 S C -0.214 174.361 174.600 -0.042 0.000 1.161 1036 S CA -0.615 57.557 58.200 -0.047 0.000 0.969 1036 S CB 0.372 63.538 63.200 -0.057 0.000 1.059 1036 S HN 0.646 nan 8.310 nan 0.000 0.482 1037 G N 2.113 110.890 108.800 -0.037 0.000 2.547 1037 G HA2 0.740 4.700 3.960 0.001 0.000 0.291 1037 G HA3 0.740 4.700 3.960 0.001 0.000 0.291 1037 G C -0.410 174.481 174.900 -0.016 0.000 1.211 1037 G CA -0.314 44.768 45.100 -0.029 0.000 0.950 1037 G HN 1.158 nan 8.290 nan 0.000 0.504 1038 A N -1.226 121.594 122.820 -0.000 0.000 2.365 1038 A HA 0.773 5.093 4.320 0.001 0.000 0.318 1038 A C 0.723 178.298 177.584 -0.015 0.000 1.091 1038 A CA 0.384 52.419 52.037 -0.004 0.000 0.763 1038 A CB 1.111 20.116 19.000 0.009 0.000 1.248 1038 A HN 2.631 nan 8.150 nan 0.000 0.442 1039 A N 1.541 124.346 122.820 -0.026 0.000 2.745 1039 A HA -0.055 4.266 4.320 0.001 0.000 0.296 1039 A C 0.856 178.420 177.584 -0.033 0.000 1.500 1039 A CA 1.239 53.257 52.037 -0.032 0.000 0.766 1039 A CB -2.573 16.405 19.000 -0.037 0.000 1.030 1039 A HN 2.551 nan 8.150 nan 0.000 0.489 1040 T N -1.690 112.845 114.554 -0.031 0.000 2.856 1040 T HA 0.436 4.786 4.350 0.001 0.000 0.329 1040 T C 1.007 175.681 174.700 -0.044 0.000 1.094 1040 T CA 0.057 62.138 62.100 -0.032 0.000 1.112 1040 T CB 0.879 69.729 68.868 -0.030 0.000 1.009 1040 T HN 1.976 nan 8.240 nan 0.000 0.550 1041 G N 0.199 108.976 108.800 -0.039 0.000 2.432 1041 G HA2 0.272 4.232 3.960 0.001 0.000 0.239 1041 G HA3 0.272 4.232 3.960 0.001 0.000 0.239 1041 G C 1.033 175.878 174.900 -0.092 0.000 1.291 1041 G CA -0.263 44.805 45.100 -0.054 0.000 0.863 1041 G HN 0.964 nan 8.290 nan 0.000 0.560 1042 V N 2.190 121.992 119.914 -0.187 0.000 2.720 1042 V HA -0.118 4.002 4.120 0.001 0.000 0.256 1042 V C 1.656 177.556 176.094 -0.323 0.000 1.082 1042 V CA 1.596 63.728 62.300 -0.280 0.000 1.101 1042 V CB -0.599 30.995 31.823 -0.382 0.000 0.693 1042 V HN 0.776 nan 8.190 nan 0.000 0.479 1043 H N -0.100 118.965 119.070 -0.008 0.000 2.529 1043 H HA 0.328 4.884 4.556 0.001 0.000 0.277 1043 H C 0.751 176.074 175.328 -0.009 0.000 1.004 1043 H CA -0.197 55.849 56.048 -0.003 0.000 1.167 1043 H CB 0.144 29.909 29.762 0.004 0.000 1.445 1043 H HN 0.599 nan 8.280 nan 0.000 0.554 1044 E N 0.925 121.155 120.200 0.050 0.000 2.390 1044 E HA 0.358 4.708 4.350 0.001 0.000 0.261 1044 E C 0.281 176.890 176.600 0.016 0.000 1.076 1044 E CA -0.439 55.977 56.400 0.027 0.000 0.905 1044 E CB 1.249 30.950 29.700 0.001 0.000 0.984 1044 E HN 0.247 nan 8.360 nan 0.000 0.427 1045 A N 2.264 125.090 122.820 0.009 0.000 2.507 1045 A HA 0.020 4.340 4.320 0.001 0.000 0.235 1045 A C -0.164 177.415 177.584 -0.008 0.000 1.070 1045 A CA -0.326 51.712 52.037 0.001 0.000 0.768 1045 A CB 0.146 19.143 19.000 -0.006 0.000 1.011 1045 A HN 0.485 nan 8.150 nan 0.000 0.502 1046 L N 1.023 122.241 121.223 -0.009 0.000 2.477 1046 L HA 0.190 4.531 4.340 0.001 0.000 0.272 1046 L C 0.579 177.436 176.870 -0.023 0.000 1.157 1046 L CA 0.575 55.406 54.840 -0.014 0.000 0.889 1046 L CB 0.234 42.287 42.059 -0.009 0.000 1.158 1046 L HN 0.746 nan 8.230 nan 0.000 0.473 1047 E N 6.333 126.516 120.200 -0.029 0.000 2.046 1047 E HA 0.175 4.526 4.350 0.001 0.000 0.279 1047 E C -0.677 175.899 176.600 -0.040 0.000 0.989 1047 E CA -0.500 55.875 56.400 -0.041 0.000 0.798 1047 E CB 0.789 30.461 29.700 -0.046 0.000 1.086 1047 E HN 0.740 nan 8.360 nan 0.000 0.399 1048 M N 5.161 124.737 119.600 -0.040 0.000 2.162 1048 M HA 0.242 4.723 4.480 0.001 0.000 0.356 1048 M C -0.726 175.534 176.300 -0.068 0.000 1.303 1048 M CA -0.205 55.077 55.300 -0.029 0.000 1.116 1048 M CB 0.356 32.956 32.600 -0.000 0.000 1.632 1048 M HN 0.337 nan 8.290 nan 0.000 0.469 1049 R N 3.100 123.556 120.500 -0.072 0.000 2.711 1049 R HA 0.272 4.612 4.340 0.001 0.000 0.284 1049 R C -0.041 176.149 176.300 -0.185 0.000 0.968 1049 R CA -0.646 55.380 56.100 -0.123 0.000 0.924 1049 R CB 1.300 31.551 30.300 -0.082 0.000 1.162 1049 R HN 0.701 nan 8.270 nan 0.000 0.465 1050 D N 0.614 120.830 120.400 -0.307 0.000 2.144 1050 D HA -0.015 4.626 4.640 0.001 0.000 0.200 1050 D C 1.019 177.230 176.300 -0.149 0.000 0.978 1050 D CA 1.593 55.290 54.000 -0.504 0.000 0.833 1050 D CB 0.094 40.627 40.800 -0.445 0.000 0.961 1050 D HN 0.904 nan 8.370 nan 0.000 0.470 1051 G N 1.318 110.084 108.800 -0.057 0.000 2.160 1051 G HA2 -0.257 3.703 3.960 0.001 0.000 0.251 1051 G HA3 -0.257 3.703 3.960 0.001 0.000 0.251 1051 G C -0.188 174.729 174.900 0.029 0.000 1.008 1051 G CA 0.306 45.409 45.100 0.004 0.000 0.724 1051 G HN 0.352 nan 8.290 nan 0.000 0.514 1052 D N 0.588 121.009 120.400 0.034 0.000 2.411 1052 D HA 0.309 4.950 4.640 0.001 0.000 0.225 1052 D C 1.751 178.077 176.300 0.043 0.000 1.156 1052 D CA -0.267 53.762 54.000 0.048 0.000 0.874 1052 D CB 0.403 41.240 40.800 0.062 0.000 1.034 1052 D HN 0.532 nan 8.370 nan 0.000 0.502 1053 K N 1.167 121.586 120.400 0.031 0.000 2.281 1053 K HA -0.169 4.151 4.320 0.001 0.000 0.203 1053 K C 1.258 177.864 176.600 0.009 0.000 1.046 1053 K CA 1.440 57.742 56.287 0.024 0.000 0.938 1053 K CB -0.137 32.373 32.500 0.018 0.000 0.737 1053 K HN 0.216 nan 8.250 nan 0.000 0.458 1054 S N -0.126 115.571 115.700 -0.004 0.000 2.603 1054 S HA 0.112 4.583 4.470 0.001 0.000 0.220 1054 S C -0.035 174.515 174.600 -0.083 0.000 0.967 1054 S CA -0.434 57.745 58.200 -0.035 0.000 0.920 1054 S CB -0.095 63.086 63.200 -0.033 0.000 0.773 1054 S HN 0.273 nan 8.310 nan 0.000 0.529 1055 K N 0.613 120.974 120.400 -0.064 0.000 2.565 1055 K HA 0.214 4.535 4.320 0.001 0.000 0.249 1055 K C -1.122 175.511 176.600 0.055 0.000 0.958 1055 K CA -0.705 55.477 56.287 -0.176 0.000 0.806 1055 K CB 0.986 33.359 32.500 -0.212 0.000 1.194 1055 K HN 0.160 nan 8.250 nan 0.000 0.434 1056 W N 4.435 125.743 121.300 0.014 0.000 5.770 1056 W HA -0.265 4.396 4.660 0.001 0.000 0.389 1056 W C -0.065 176.457 176.519 0.005 0.000 1.469 1056 W CA 0.464 57.819 57.345 0.018 0.000 0.975 1056 W CB -1.751 27.700 29.460 -0.015 0.000 2.622 1056 W HN 0.841 nan 8.180 nan 0.000 1.500 1057 M N -1.776 117.915 119.600 0.152 0.000 2.811 1057 M HA -0.274 4.206 4.480 0.001 0.000 0.183 1057 M C 1.478 177.832 176.300 0.091 0.000 0.618 1057 M CA 2.469 57.829 55.300 0.099 0.000 0.633 1057 M CB -2.532 30.127 32.600 0.099 0.000 2.305 1057 M HN 1.086 nan 8.290 nan 0.000 0.472 1058 G N -0.341 108.529 108.800 0.116 0.000 2.141 1058 G HA2 -0.302 3.658 3.960 0.001 0.000 0.242 1058 G HA3 -0.302 3.658 3.960 0.001 0.000 0.242 1058 G C 0.583 175.520 174.900 0.063 0.000 0.982 1058 G CA 0.592 45.741 45.100 0.081 0.000 0.662 1058 G HN 0.549 nan 8.290 nan 0.000 0.527 1059 K N 0.684 121.142 120.400 0.096 0.000 2.570 1059 K HA 0.392 4.712 4.320 0.001 0.000 0.210 1059 K C 1.447 177.987 176.600 -0.099 0.000 1.048 1059 K CA 0.095 56.383 56.287 0.001 0.000 1.167 1059 K CB 0.779 33.278 32.500 -0.001 0.000 0.892 1059 K HN 0.382 nan 8.250 nan 0.000 0.480 1060 G N 0.659 109.445 108.800 -0.024 0.000 2.594 1060 G HA2 0.185 4.145 3.960 0.001 0.000 0.243 1060 G HA3 0.185 4.145 3.960 0.001 0.000 0.243 1060 G C 0.576 175.289 174.900 -0.312 0.000 1.229 1060 G CA -0.440 44.524 45.100 -0.226 0.000 0.843 1060 G HN 0.134 nan 8.290 nan 0.000 0.578 1061 V N 0.175 119.845 119.914 -0.408 0.000 2.915 1061 V HA 0.309 4.430 4.120 0.001 0.000 0.364 1061 V C 1.580 177.547 176.094 -0.212 0.000 1.354 1061 V CA -0.193 61.932 62.300 -0.291 0.000 1.213 1061 V CB -0.499 31.150 31.823 -0.291 0.000 1.268 1061 V HN 0.618 nan 8.190 nan 0.000 0.557 1062 L N -0.341 120.781 121.223 -0.168 0.000 2.083 1062 L HA -0.088 4.252 4.340 0.001 0.000 0.209 1062 L C 2.701 179.624 176.870 0.088 0.000 1.083 1062 L CA 2.289 57.118 54.840 -0.018 0.000 0.752 1062 L CB -0.790 41.329 42.059 0.099 0.000 0.899 1062 L HN 0.520 nan 8.230 nan 0.000 0.433 1063 H N -0.481 118.570 119.070 -0.031 0.000 2.321 1063 H HA -0.111 4.446 4.556 0.001 0.000 0.300 1063 H C 2.386 177.686 175.328 -0.046 0.000 1.087 1063 H CA 0.712 56.744 56.048 -0.028 0.000 1.319 1063 H CB 0.070 29.820 29.762 -0.020 0.000 1.379 1063 H HN 0.398 nan 8.280 nan 0.000 0.501 1064 A N 0.869 123.720 122.820 0.052 0.000 1.902 1064 A HA -0.129 4.191 4.320 0.001 0.000 0.217 1064 A C 2.635 180.192 177.584 -0.045 0.000 1.181 1064 A CA 1.450 53.478 52.037 -0.015 0.000 0.623 1064 A CB -0.815 18.149 19.000 -0.061 0.000 0.818 1064 A HN 0.197 nan 8.150 nan 0.000 0.443 1065 V N 0.314 120.185 119.914 -0.072 0.000 2.343 1065 V HA -0.274 3.847 4.120 0.001 0.000 0.247 1065 V C 2.543 178.590 176.094 -0.077 0.000 1.051 1065 V CA 2.378 64.613 62.300 -0.109 0.000 1.036 1065 V CB -0.638 31.102 31.823 -0.138 0.000 0.654 1065 V HN 0.668 nan 8.190 nan 0.000 0.451 1066 K N 0.267 120.653 120.400 -0.024 0.000 2.097 1066 K HA -0.207 4.113 4.320 0.001 0.000 0.206 1066 K C 1.949 178.543 176.600 -0.009 0.000 1.049 1066 K CA 1.954 58.237 56.287 -0.006 0.000 0.933 1066 K CB -0.268 32.246 32.500 0.023 0.000 0.717 1066 K HN 0.599 nan 8.250 nan 0.000 0.442 1067 N N -0.204 118.491 118.700 -0.008 0.000 2.104 1067 N HA -0.170 4.570 4.740 0.001 0.000 0.190 1067 N C 1.722 177.226 175.510 -0.009 0.000 1.024 1067 N CA 1.265 54.311 53.050 -0.006 0.000 0.853 1067 N CB 0.067 38.550 38.487 -0.006 0.000 1.008 1067 N HN -0.028 nan 8.380 nan 0.000 0.424 1068 V N 1.604 121.499 119.914 -0.033 0.000 2.270 1068 V HA -0.187 3.933 4.120 0.001 0.000 0.245 1068 V C 1.822 177.903 176.094 -0.023 0.000 1.043 1068 V CA 1.466 63.742 62.300 -0.040 0.000 1.014 1068 V CB -0.507 31.260 31.823 -0.092 0.000 0.645 1068 V HN 0.372 nan 8.190 nan 0.000 0.447 1069 N N 0.458 119.133 118.700 -0.041 0.000 2.142 1069 N HA -0.138 4.602 4.740 0.001 0.000 0.186 1069 N C 1.426 176.957 175.510 0.035 0.000 1.023 1069 N CA 1.698 54.746 53.050 -0.002 0.000 0.852 1069 N CB -0.290 38.188 38.487 -0.015 0.000 0.998 1069 N HN 0.491 nan 8.380 nan 0.000 0.424 1070 D N -0.692 119.724 120.400 0.025 0.000 2.327 1070 D HA 0.077 4.717 4.640 0.001 0.000 0.205 1070 D C 1.780 178.104 176.300 0.040 0.000 0.989 1070 D CA 0.230 54.251 54.000 0.034 0.000 0.873 1070 D CB 0.530 41.343 40.800 0.023 0.000 0.955 1070 D HN 0.028 nan 8.370 nan 0.000 0.515 1071 V N -0.166 119.772 119.914 0.040 0.000 2.939 1071 V HA 0.044 4.164 4.120 0.001 0.000 0.228 1071 V C 2.031 178.180 176.094 0.091 0.000 1.162 1071 V CA 0.036 62.365 62.300 0.049 0.000 1.222 1071 V CB -0.227 31.610 31.823 0.024 0.000 1.053 1071 V HN -0.065 nan 8.190 nan 0.000 0.504 1072 I N 1.575 122.201 120.570 0.093 0.000 2.127 1072 I HA -0.222 3.948 4.170 0.001 0.000 0.241 1072 I C 2.673 178.928 176.117 0.231 0.000 1.075 1072 I CA 2.066 63.471 61.300 0.174 0.000 1.334 1072 I CB -0.876 37.195 38.000 0.120 0.000 1.040 1072 I HN 0.277 nan 8.210 nan 0.000 0.405 1073 A N 1.415 124.313 122.820 0.131 0.000 1.859 1073 A HA -0.189 4.132 4.320 0.001 0.000 0.218 1073 A C 0.367 178.055 177.584 0.174 0.000 1.209 1073 A CA 2.621 54.734 52.037 0.128 0.000 0.639 1073 A CB -2.368 16.680 19.000 0.081 0.000 0.835 1073 A HN 0.365 nan 8.150 nan 0.000 0.450 1074 P HA -0.182 nan 4.420 nan 0.000 0.215 1074 P C 1.584 178.979 177.300 0.159 0.000 1.153 1074 P CA 2.213 65.390 63.100 0.127 0.000 0.853 1074 P CB -0.250 31.508 31.700 0.097 0.000 0.788 1075 A N -0.948 122.004 122.820 0.220 0.000 1.930 1075 A HA -0.155 4.165 4.320 0.001 0.000 0.217 1075 A C 2.166 179.922 177.584 0.286 0.000 1.175 1075 A CA 1.146 53.368 52.037 0.308 0.000 0.627 1075 A CB -1.749 17.493 19.000 0.404 0.000 0.815 1075 A HN 0.113 nan 8.150 nan 0.000 0.443 1076 F N 0.478 120.506 119.950 0.131 0.000 2.113 1076 F HA -0.120 4.407 4.527 0.000 0.000 0.297 1076 F C 2.303 177.993 175.800 -0.184 0.000 1.103 1076 F CA 1.850 59.755 58.000 -0.158 0.000 1.248 1076 F CB -0.180 38.825 39.000 0.008 0.000 0.999 1076 F HN 0.030 nan 8.300 nan 0.000 0.475 1077 V N 0.509 120.555 119.914 0.220 0.000 2.427 1077 V HA -0.302 3.818 4.120 0.001 0.000 0.248 1077 V C 2.423 178.519 176.094 0.004 0.000 1.051 1077 V CA 2.188 64.562 62.300 0.123 0.000 1.048 1077 V CB -0.748 31.145 31.823 0.117 0.000 0.666 1077 V HN 0.288 nan 8.190 nan 0.000 0.456 1078 K N 0.512 120.913 120.400 0.001 0.000 2.097 1078 K HA -0.131 4.189 4.320 0.001 0.000 0.205 1078 K C 2.113 178.657 176.600 -0.093 0.000 1.050 1078 K CA 1.426 57.701 56.287 -0.020 0.000 0.938 1078 K CB -0.302 32.213 32.500 0.024 0.000 0.718 1078 K HN 0.428 nan 8.250 nan 0.000 0.442 1079 A N 1.364 124.055 122.820 -0.216 0.000 2.125 1079 A HA -0.178 4.143 4.320 0.001 0.000 0.219 1079 A C 0.577 177.972 177.584 -0.315 0.000 1.156 1079 A CA 1.161 52.994 52.037 -0.340 0.000 0.671 1079 A CB -0.801 17.721 19.000 -0.797 0.000 0.794 1079 A HN 0.769 nan 8.150 nan 0.000 0.459 1080 N N -0.690 117.848 118.700 -0.269 0.000 2.667 1080 N HA -0.150 4.591 4.740 0.001 0.000 0.263 1080 N C -0.675 174.695 175.510 -0.234 0.000 1.038 1080 N CA 0.053 52.992 53.050 -0.186 0.000 0.749 1080 N CB -0.875 37.547 38.487 -0.108 0.000 0.892 1080 N HN 0.542 nan 8.380 nan 0.000 0.546 1081 I N 0.229 120.582 120.570 -0.362 0.000 2.612 1081 I HA 0.081 4.252 4.170 0.001 0.000 0.295 1081 I C 0.692 176.714 176.117 -0.158 0.000 1.011 1081 I CA -0.518 60.578 61.300 -0.339 0.000 1.326 1081 I CB 0.818 38.449 38.000 -0.614 0.000 1.427 1081 I HN 0.219 nan 8.210 nan 0.000 0.537 1082 D N 3.864 124.201 120.400 -0.105 0.000 2.380 1082 D HA 0.123 4.764 4.640 0.001 0.000 0.230 1082 D C 1.002 177.295 176.300 -0.013 0.000 1.154 1082 D CA -0.508 53.464 54.000 -0.047 0.000 0.859 1082 D CB 1.344 42.123 40.800 -0.036 0.000 1.045 1082 D HN 0.371 nan 8.370 nan 0.000 0.495 1083 V N 2.805 122.724 119.914 0.007 0.000 2.546 1083 V HA -0.248 3.873 4.120 0.001 0.000 0.254 1083 V C 1.837 177.952 176.094 0.035 0.000 1.076 1083 V CA 1.324 63.645 62.300 0.036 0.000 1.087 1083 V CB -0.783 31.036 31.823 -0.007 0.000 0.674 1083 V HN 0.421 nan 8.190 nan 0.000 0.470 1084 K N 0.541 120.947 120.400 0.010 0.000 2.283 1084 K HA -0.056 4.265 4.320 0.001 0.000 0.202 1084 K C 0.925 177.593 176.600 0.113 0.000 1.048 1084 K CA 1.047 57.370 56.287 0.061 0.000 0.948 1084 K CB -0.195 32.318 32.500 0.021 0.000 0.742 1084 K HN 0.482 nan 8.250 nan 0.000 0.458 1085 D N 1.251 121.688 120.400 0.063 0.000 2.522 1085 D HA -0.012 4.628 4.640 0.001 0.000 0.218 1085 D C 0.883 177.222 176.300 0.065 0.000 1.149 1085 D CA 0.018 54.049 54.000 0.051 0.000 0.981 1085 D CB 0.934 41.745 40.800 0.018 0.000 1.041 1085 D HN -0.069 nan 8.370 nan 0.000 0.518 1086 Q N 3.023 122.875 119.800 0.086 0.000 2.112 1086 Q HA -0.189 4.151 4.340 0.001 0.000 0.206 1086 Q C 1.487 177.530 176.000 0.072 0.000 0.987 1086 Q CA 1.693 57.551 55.803 0.092 0.000 0.858 1086 Q CB 0.185 28.972 28.738 0.082 0.000 0.905 1086 Q HN 0.353 nan 8.270 nan 0.000 0.420 1087 K N -0.624 119.807 120.400 0.050 0.000 2.103 1087 K HA -0.108 4.213 4.320 0.001 0.000 0.207 1087 K C 1.998 178.628 176.600 0.049 0.000 1.048 1087 K CA 1.157 57.469 56.287 0.043 0.000 0.930 1087 K CB -0.247 32.269 32.500 0.027 0.000 0.716 1087 K HN 0.290 nan 8.250 nan 0.000 0.444 1088 A N 1.148 123.993 122.820 0.042 0.000 1.929 1088 A HA -0.075 4.245 4.320 0.001 0.000 0.216 1088 A C 2.402 180.022 177.584 0.060 0.000 1.176 1088 A CA 1.014 53.072 52.037 0.035 0.000 0.628 1088 A CB -0.477 18.522 19.000 -0.002 0.000 0.816 1088 A HN 0.045 nan 8.150 nan 0.000 0.444 1089 V N 0.787 120.747 119.914 0.077 0.000 2.261 1089 V HA -0.250 3.871 4.120 0.001 0.000 0.246 1089 V C 2.136 178.364 176.094 0.223 0.000 1.047 1089 V CA 2.375 64.769 62.300 0.155 0.000 1.015 1089 V CB -0.711 31.241 31.823 0.214 0.000 0.642 1089 V HN 0.521 nan 8.190 nan 0.000 0.446 1090 D N -0.376 120.116 120.400 0.153 0.000 2.178 1090 D HA -0.134 4.506 4.640 0.001 0.000 0.202 1090 D C 1.883 178.247 176.300 0.107 0.000 0.974 1090 D CA 1.089 55.164 54.000 0.126 0.000 0.841 1090 D CB -0.299 40.548 40.800 0.078 0.000 0.953 1090 D HN 0.416 nan 8.370 nan 0.000 0.478 1091 D N 0.052 120.510 120.400 0.096 0.000 2.117 1091 D HA -0.135 4.505 4.640 0.001 0.000 0.197 1091 D C 1.819 178.168 176.300 0.082 0.000 0.987 1091 D CA 0.391 54.431 54.000 0.068 0.000 0.829 1091 D CB -0.392 40.442 40.800 0.057 0.000 0.961 1091 D HN 0.191 nan 8.370 nan 0.000 0.460 1092 F N 1.311 121.256 119.950 -0.007 0.000 2.102 1092 F HA -0.125 4.403 4.527 0.001 0.000 0.298 1092 F C 2.162 177.980 175.800 0.030 0.000 1.105 1092 F CA 1.121 59.109 58.000 -0.019 0.000 1.239 1092 F CB -0.282 38.662 39.000 -0.093 0.000 0.991 1092 F HN -0.127 nan 8.300 nan 0.000 0.474 1093 L N 0.001 121.337 121.223 0.188 0.000 1.994 1093 L HA -0.247 4.093 4.340 0.001 0.000 0.208 1093 L C 2.515 179.368 176.870 -0.029 0.000 1.071 1093 L CA 1.606 56.508 54.840 0.103 0.000 0.745 1093 L CB -0.792 41.380 42.059 0.189 0.000 0.892 1093 L HN 0.166 nan 8.230 nan 0.000 0.431 1094 I N -0.878 119.688 120.570 -0.006 0.000 2.264 1094 I HA -0.330 3.840 4.170 0.001 0.000 0.248 1094 I C 2.814 178.888 176.117 -0.072 0.000 1.111 1094 I CA 1.452 62.734 61.300 -0.029 0.000 1.382 1094 I CB -0.266 37.728 38.000 -0.010 0.000 1.060 1094 I HN 0.228 nan 8.210 nan 0.000 0.418 1095 S N 0.604 116.237 115.700 -0.112 0.000 2.406 1095 S HA -0.121 4.349 4.470 0.001 0.000 0.228 1095 S C 1.932 176.414 174.600 -0.198 0.000 1.020 1095 S CA 0.832 58.946 58.200 -0.144 0.000 0.965 1095 S CB -0.188 62.919 63.200 -0.156 0.000 0.798 1095 S HN 0.292 nan 8.310 nan 0.000 0.488 1096 L N 1.930 122.977 121.223 -0.293 0.000 2.093 1096 L HA 0.005 4.345 4.340 0.001 0.000 0.208 1096 L C 1.894 178.679 176.870 -0.141 0.000 1.085 1096 L CA 2.367 57.039 54.840 -0.279 0.000 0.755 1096 L CB -0.884 40.962 42.059 -0.355 0.000 0.904 1096 L HN 0.400 nan 8.230 nan 0.000 0.435 1097 D N -1.182 119.156 120.400 -0.103 0.000 2.123 1097 D HA -0.021 4.619 4.640 0.001 0.000 0.200 1097 D C 1.722 177.989 176.300 -0.056 0.000 0.976 1097 D CA 1.312 55.275 54.000 -0.062 0.000 0.831 1097 D CB -0.063 40.712 40.800 -0.043 0.000 0.974 1097 D HN 0.413 nan 8.370 nan 0.000 0.469 1098 G N 0.027 108.790 108.800 -0.061 0.000 2.175 1098 G HA2 -0.297 3.663 3.960 0.001 0.000 0.265 1098 G HA3 -0.297 3.663 3.960 0.001 0.000 0.265 1098 G C 0.511 175.390 174.900 -0.035 0.000 0.979 1098 G CA 1.266 46.336 45.100 -0.050 0.000 0.663 1098 G HN 0.749 nan 8.290 nan 0.000 0.533 1099 T N -3.979 110.557 114.554 -0.030 0.000 2.942 1099 T HA 0.830 5.180 4.350 0.001 0.000 0.289 1099 T C 1.396 176.085 174.700 -0.017 0.000 1.044 1099 T CA 0.276 62.364 62.100 -0.020 0.000 1.023 1099 T CB 1.939 70.798 68.868 -0.016 0.000 1.123 1099 T HN 1.245 nan 8.240 nan 0.000 0.512 1100 A N 1.544 124.357 122.820 -0.011 0.000 1.898 1100 A HA 0.020 4.341 4.320 0.001 0.000 0.216 1100 A C 1.808 179.390 177.584 -0.004 0.000 1.181 1100 A CA 0.949 52.981 52.037 -0.008 0.000 0.620 1100 A CB -0.650 18.347 19.000 -0.004 0.000 0.819 1100 A HN 0.823 nan 8.150 nan 0.000 0.442 1101 N N -0.384 118.316 118.700 0.000 0.000 2.238 1101 N HA 0.113 4.853 4.740 0.001 0.000 0.222 1101 N C -0.725 174.783 175.510 -0.003 0.000 1.133 1101 N CA 0.120 53.173 53.050 0.004 0.000 0.854 1101 N CB 0.364 38.859 38.487 0.013 0.000 1.041 1101 N HN 0.431 nan 8.380 nan 0.000 0.510 1102 K N 0.026 120.421 120.400 -0.009 0.000 3.150 1102 K HA -0.148 4.173 4.320 0.001 0.000 0.267 1102 K C 0.618 177.211 176.600 -0.011 0.000 1.028 1102 K CA 0.693 56.972 56.287 -0.013 0.000 0.753 1102 K CB -1.864 30.628 32.500 -0.014 0.000 1.288 1102 K HN 0.327 nan 8.250 nan 0.000 0.473 1103 S N -0.903 114.792 115.700 -0.009 0.000 2.558 1103 S HA -0.044 4.426 4.470 0.001 0.000 0.217 1103 S C 1.586 176.182 174.600 -0.007 0.000 0.975 1103 S CA 0.546 58.742 58.200 -0.006 0.000 0.912 1103 S CB 0.391 63.589 63.200 -0.003 0.000 0.776 1103 S HN 0.489 nan 8.310 nan 0.000 0.526 1104 K N 1.259 121.652 120.400 -0.012 0.000 2.078 1104 K HA 0.256 4.576 4.320 0.001 0.000 0.203 1104 K C 1.682 178.274 176.600 -0.013 0.000 1.043 1104 K CA 0.745 57.023 56.287 -0.015 0.000 0.960 1104 K CB -0.094 32.392 32.500 -0.022 0.000 0.761 1104 K HN 0.369 nan 8.250 nan 0.000 0.448 1105 L N -0.177 121.037 121.223 -0.015 0.000 2.515 1105 L HA 0.295 4.635 4.340 0.001 0.000 0.223 1105 L C 0.434 177.297 176.870 -0.011 0.000 1.079 1105 L CA 0.138 54.970 54.840 -0.013 0.000 0.857 1105 L CB 0.560 42.609 42.059 -0.016 0.000 1.050 1105 L HN 0.474 nan 8.230 nan 0.000 0.476 1106 G N -0.208 108.584 108.800 -0.013 0.000 2.785 1106 G HA2 -0.069 3.891 3.960 0.001 0.000 0.686 1106 G HA3 -0.069 3.891 3.960 0.001 0.000 0.686 1106 G C 0.452 175.337 174.900 -0.025 0.000 1.155 1106 G CA -0.325 44.765 45.100 -0.017 0.000 0.760 1106 G HN 0.145 nan 8.290 nan 0.000 0.624 1107 A N 1.571 124.375 122.820 -0.027 0.000 2.014 1107 A HA 0.020 4.340 4.320 0.001 0.000 0.218 1107 A C 2.154 179.711 177.584 -0.045 0.000 1.163 1107 A CA 1.966 53.984 52.037 -0.032 0.000 0.652 1107 A CB -0.334 18.649 19.000 -0.028 0.000 0.808 1107 A HN 1.592 nan 8.150 nan 0.000 0.449 1108 N N 0.273 118.942 118.700 -0.052 0.000 2.521 1108 N HA 0.155 4.895 4.740 0.001 0.000 0.188 1108 N C 1.105 176.570 175.510 -0.075 0.000 1.146 1108 N CA 1.161 54.169 53.050 -0.069 0.000 0.893 1108 N CB -0.214 38.224 38.487 -0.081 0.000 0.975 1108 N HN 0.355 nan 8.380 nan 0.000 0.451 1109 A N 0.744 123.529 122.820 -0.060 0.000 1.942 1109 A HA 0.323 4.643 4.320 0.001 0.000 0.209 1109 A C 2.200 179.752 177.584 -0.053 0.000 1.214 1109 A CA -0.002 52.000 52.037 -0.059 0.000 0.686 1109 A CB -0.170 18.805 19.000 -0.041 0.000 0.871 1109 A HN 0.157 nan 8.150 nan 0.000 0.460 1110 I N -0.443 120.104 120.570 -0.038 0.000 2.233 1110 I HA -0.168 4.002 4.170 0.001 0.000 0.243 1110 I C 2.399 178.492 176.117 -0.041 0.000 1.093 1110 I CA 0.935 62.221 61.300 -0.023 0.000 1.380 1110 I CB -0.240 37.755 38.000 -0.008 0.000 1.067 1110 I HN 0.351 nan 8.210 nan 0.000 0.413 1111 L N 1.520 122.709 121.223 -0.057 0.000 2.021 1111 L HA -0.181 4.159 4.340 0.001 0.000 0.215 1111 L C 2.383 179.185 176.870 -0.112 0.000 1.074 1111 L CA 2.401 57.190 54.840 -0.085 0.000 0.760 1111 L CB -1.357 40.647 42.059 -0.092 0.000 0.889 1111 L HN 0.242 nan 8.230 nan 0.000 0.433 1112 G N -1.290 107.447 108.800 -0.106 0.000 2.469 1112 G HA2 -0.249 3.712 3.960 0.001 0.000 0.219 1112 G HA3 -0.249 3.712 3.960 0.001 0.000 0.219 1112 G C 1.529 176.361 174.900 -0.113 0.000 1.150 1112 G CA 1.298 46.331 45.100 -0.111 0.000 0.763 1112 G HN 0.382 nan 8.290 nan 0.000 0.561 1113 V N 0.557 120.400 119.914 -0.118 0.000 2.307 1113 V HA -0.158 3.962 4.120 0.001 0.000 0.245 1113 V C 2.981 179.006 176.094 -0.115 0.000 1.045 1113 V CA 2.145 64.346 62.300 -0.166 0.000 1.024 1113 V CB -0.475 31.225 31.823 -0.205 0.000 0.651 1113 V HN 0.488 nan 8.190 nan 0.000 0.449 1114 S N -0.162 115.502 115.700 -0.059 0.000 2.359 1114 S HA -0.166 4.304 4.470 0.001 0.000 0.224 1114 S C 1.937 176.501 174.600 -0.061 0.000 1.035 1114 S CA 1.835 60.024 58.200 -0.019 0.000 1.018 1114 S CB -0.325 62.863 63.200 -0.020 0.000 0.876 1114 S HN 0.505 nan 8.310 nan 0.000 0.448 1115 L N 0.912 122.040 121.223 -0.158 0.000 2.056 1115 L HA -0.004 4.337 4.340 0.001 0.000 0.207 1115 L C 2.995 179.819 176.870 -0.077 0.000 1.078 1115 L CA 1.151 55.832 54.840 -0.265 0.000 0.749 1115 L CB -0.857 40.897 42.059 -0.507 0.000 0.901 1115 L HN 0.407 nan 8.230 nan 0.000 0.433 1116 A N 0.360 123.150 122.820 -0.051 0.000 1.933 1116 A HA -0.161 4.159 4.320 0.001 0.000 0.218 1116 A C 2.542 180.133 177.584 0.011 0.000 1.175 1116 A CA 1.730 53.780 52.037 0.022 0.000 0.628 1116 A CB -0.590 18.413 19.000 0.005 0.000 0.814 1116 A HN 0.404 nan 8.150 nan 0.000 0.444 1117 A N 0.297 123.110 122.820 -0.011 0.000 1.930 1117 A HA -0.075 4.245 4.320 0.001 0.000 0.217 1117 A C 2.497 180.082 177.584 0.002 0.000 1.175 1117 A CA 2.212 54.251 52.037 0.004 0.000 0.627 1117 A CB -0.900 18.152 19.000 0.087 0.000 0.815 1117 A HN 1.012 nan 8.150 nan 0.000 0.443 1118 S N -0.107 115.643 115.700 0.084 0.000 2.402 1118 S HA -0.149 4.322 4.470 0.001 0.000 0.229 1118 S C 1.975 176.632 174.600 0.095 0.000 1.021 1118 S CA 1.072 59.389 58.200 0.196 0.000 0.974 1118 S CB -0.423 62.975 63.200 0.331 0.000 0.800 1118 S HN 0.631 nan 8.310 nan 0.000 0.484 1119 R N 1.301 121.828 120.500 0.046 0.000 2.090 1119 R HA 0.188 4.529 4.340 0.001 0.000 0.228 1119 R C 2.784 178.783 176.300 -0.503 0.000 1.110 1119 R CA 1.115 57.193 56.100 -0.037 0.000 0.973 1119 R CB -0.736 29.661 30.300 0.161 0.000 0.869 1119 R HN 0.560 nan 8.270 nan 0.000 0.440 1120 A N 1.568 123.940 122.820 -0.748 0.000 1.902 1120 A HA -0.085 4.235 4.320 0.001 0.000 0.217 1120 A C 2.398 179.561 177.584 -0.701 0.000 1.181 1120 A CA 1.621 52.879 52.037 -1.298 0.000 0.623 1120 A CB -0.572 18.012 19.000 -0.693 0.000 0.818 1120 A HN 0.371 nan 8.150 nan 0.000 0.443 1121 A N -0.135 122.412 122.820 -0.455 0.000 1.933 1121 A HA 0.156 4.476 4.320 0.001 0.000 0.218 1121 A C 2.473 179.679 177.584 -0.631 0.000 1.175 1121 A CA 2.036 53.791 52.037 -0.469 0.000 0.628 1121 A CB -0.932 17.811 19.000 -0.428 0.000 0.814 1121 A HN 1.041 nan 8.150 nan 0.000 0.444 1122 A N -0.202 122.245 122.820 -0.622 0.000 1.933 1122 A HA 0.185 4.505 4.320 0.001 0.000 0.218 1122 A C 2.474 179.904 177.584 -0.257 0.000 1.175 1122 A CA 1.970 53.756 52.037 -0.418 0.000 0.628 1122 A CB -0.901 17.983 19.000 -0.193 0.000 0.814 1122 A HN 1.012 nan 8.150 nan 0.000 0.444 1123 A N -0.503 122.157 122.820 -0.266 0.000 1.898 1123 A HA -0.148 4.173 4.320 0.001 0.000 0.216 1123 A C 2.017 179.537 177.584 -0.107 0.000 1.181 1123 A CA 1.658 53.624 52.037 -0.119 0.000 0.620 1123 A CB -0.508 18.475 19.000 -0.028 0.000 0.819 1123 A HN 0.641 nan 8.150 nan 0.000 0.442 1124 E N 0.071 120.164 120.200 -0.177 0.000 2.085 1124 E HA -0.203 4.148 4.350 0.001 0.000 0.194 1124 E C 1.559 178.102 176.600 -0.095 0.000 0.994 1124 E CA 1.389 57.719 56.400 -0.117 0.000 0.801 1124 E CB -0.073 29.543 29.700 -0.139 0.000 0.743 1124 E HN 0.612 nan 8.360 nan 0.000 0.453 1125 K N 0.243 120.564 120.400 -0.132 0.000 2.487 1125 K HA -0.029 4.292 4.320 0.001 0.000 0.192 1125 K C 0.449 177.012 176.600 -0.062 0.000 1.027 1125 K CA 0.448 56.681 56.287 -0.089 0.000 1.054 1125 K CB 0.029 32.469 32.500 -0.099 0.000 0.824 1125 K HN 0.071 nan 8.250 nan 0.000 0.510 1126 N N 0.513 119.175 118.700 -0.064 0.000 2.738 1126 N HA -0.156 4.585 4.740 0.001 0.000 0.249 1126 N C -1.175 174.307 175.510 -0.048 0.000 1.047 1126 N CA 0.824 53.850 53.050 -0.041 0.000 0.707 1126 N CB -1.273 37.201 38.487 -0.021 0.000 0.937 1126 N HN 0.115 nan 8.380 nan 0.000 0.545 1127 V N -2.861 117.008 119.914 -0.075 0.000 3.007 1127 V HA 0.872 4.992 4.120 0.001 0.000 0.311 1127 V C -2.227 173.770 176.094 -0.161 0.000 1.120 1127 V CA -1.806 60.435 62.300 -0.097 0.000 0.980 1127 V CB 2.130 33.911 31.823 -0.069 0.000 1.033 1127 V HN 0.070 nan 8.190 nan 0.000 0.429 1128 P HA 0.100 nan 4.420 nan 0.000 0.270 1128 P C 0.722 177.770 177.300 -0.419 0.000 1.223 1128 P CA -0.200 62.645 63.100 -0.425 0.000 0.785 1128 P CB 1.144 32.350 31.700 -0.822 0.000 0.923 1129 L N 3.387 124.456 121.223 -0.258 0.000 2.012 1129 L HA -0.239 4.102 4.340 0.001 0.000 0.210 1129 L C 2.631 179.423 176.870 -0.129 0.000 1.073 1129 L CA 1.967 56.736 54.840 -0.118 0.000 0.748 1129 L CB -2.006 40.021 42.059 -0.054 0.000 0.891 1129 L HN 0.471 nan 8.230 nan 0.000 0.431 1130 Y N -0.911 119.339 120.300 -0.084 0.000 2.315 1130 Y HA -0.198 4.352 4.550 0.001 0.000 0.288 1130 Y C 2.405 178.320 175.900 0.026 0.000 1.154 1130 Y CA 1.509 59.554 58.100 -0.092 0.000 1.229 1130 Y CB -1.119 37.232 38.460 -0.181 0.000 0.980 1130 Y HN 0.209 nan 8.280 nan 0.000 0.540 1131 K N 0.410 120.656 120.400 -0.256 0.000 2.031 1131 K HA -0.203 4.117 4.320 0.001 0.000 0.205 1131 K C 2.115 178.757 176.600 0.070 0.000 1.049 1131 K CA 1.918 58.218 56.287 0.022 0.000 0.939 1131 K CB -0.950 31.471 32.500 -0.131 0.000 0.717 1131 K HN 0.520 nan 8.250 nan 0.000 0.438 1132 H N 0.289 119.315 119.070 -0.073 0.000 2.387 1132 H HA 0.010 4.566 4.556 0.001 0.000 0.299 1132 H C 1.665 177.001 175.328 0.013 0.000 1.090 1132 H CA 2.154 58.184 56.048 -0.031 0.000 1.332 1132 H CB -0.188 29.544 29.762 -0.051 0.000 1.386 1132 H HN 0.200 nan 8.280 nan 0.000 0.516 1133 L N -0.515 120.665 121.223 -0.071 0.000 2.141 1133 L HA -0.103 4.237 4.340 0.001 0.000 0.209 1133 L C 2.783 179.633 176.870 -0.033 0.000 1.094 1133 L CA 0.911 55.699 54.840 -0.087 0.000 0.763 1133 L CB -0.658 41.381 42.059 -0.033 0.000 0.908 1133 L HN 0.417 nan 8.230 nan 0.000 0.437 1134 A N -0.064 122.784 122.820 0.047 0.000 1.898 1134 A HA -0.202 4.118 4.320 0.001 0.000 0.216 1134 A C 1.908 179.488 177.584 -0.006 0.000 1.181 1134 A CA 1.745 53.821 52.037 0.064 0.000 0.620 1134 A CB -0.403 18.688 19.000 0.152 0.000 0.819 1134 A HN 0.335 nan 8.150 nan 0.000 0.442 1135 D N 0.341 120.723 120.400 -0.031 0.000 2.097 1135 D HA -0.127 4.513 4.640 0.001 0.000 0.195 1135 D C 1.948 178.199 176.300 -0.083 0.000 0.989 1135 D CA 1.106 55.078 54.000 -0.047 0.000 0.827 1135 D CB -0.425 40.365 40.800 -0.017 0.000 0.966 1135 D HN 0.450 nan 8.370 nan 0.000 0.456 1136 L N 0.911 122.031 121.223 -0.171 0.000 2.131 1136 L HA -0.138 4.202 4.340 0.001 0.000 0.210 1136 L C 2.206 179.045 176.870 -0.052 0.000 1.092 1136 L CA 1.377 56.135 54.840 -0.138 0.000 0.759 1136 L CB -0.409 41.527 42.059 -0.205 0.000 0.903 1136 L HN 0.073 nan 8.230 nan 0.000 0.435 1137 S N -1.780 113.903 115.700 -0.029 0.000 2.556 1137 S HA 0.072 4.542 4.470 0.001 0.000 0.216 1137 S C 0.710 175.313 174.600 0.006 0.000 0.970 1137 S CA -0.442 57.764 58.200 0.011 0.000 0.912 1137 S CB 0.020 63.248 63.200 0.047 0.000 0.790 1137 S HN 0.323 nan 8.310 nan 0.000 0.504 1138 K N 1.107 121.498 120.400 -0.014 0.000 3.096 1138 K HA -0.118 4.202 4.320 0.001 0.000 0.266 1138 K C -0.763 175.818 176.600 -0.032 0.000 1.043 1138 K CA 0.562 56.836 56.287 -0.022 0.000 0.758 1138 K CB -2.377 30.113 32.500 -0.016 0.000 1.260 1138 K HN 0.452 nan 8.250 nan 0.000 0.481 1139 S N 0.770 116.450 115.700 -0.034 0.000 2.585 1139 S HA 0.229 4.699 4.470 0.001 0.000 0.277 1139 S C 0.222 174.761 174.600 -0.101 0.000 1.241 1139 S CA -0.964 57.199 58.200 -0.062 0.000 1.041 1139 S CB 1.836 65.016 63.200 -0.034 0.000 0.987 1139 S HN 0.275 nan 8.310 nan 0.000 0.512 1140 K N 0.880 121.201 120.400 -0.131 0.000 2.382 1140 K HA 0.124 4.445 4.320 0.001 0.000 0.275 1140 K C 0.584 177.015 176.600 -0.281 0.000 1.009 1140 K CA 0.232 56.418 56.287 -0.167 0.000 0.970 1140 K CB 0.331 32.746 32.500 -0.142 0.000 0.934 1140 K HN 0.788 nan 8.250 nan 0.000 0.479 1141 T N -1.329 112.998 114.554 -0.379 0.000 3.170 1141 T HA 0.080 4.430 4.350 0.001 0.000 0.288 1141 T C -0.172 174.243 174.700 -0.476 0.000 0.992 1141 T CA -0.343 61.283 62.100 -0.790 0.000 0.909 1141 T CB -0.043 68.253 68.868 -0.953 0.000 1.133 1141 T HN 0.378 nan 8.240 nan 0.000 0.530 1142 S N 2.314 117.869 115.700 -0.241 0.000 2.150 1142 S HA 0.608 5.078 4.470 0.001 0.000 0.171 1142 S C -2.431 172.123 174.600 -0.077 0.000 1.620 1142 S CA -0.946 57.182 58.200 -0.120 0.000 1.190 1142 S CB 0.680 63.829 63.200 -0.085 0.000 1.102 1142 S HN 0.411 nan 8.310 nan 0.000 0.464 1143 P HA 0.504 nan 4.420 nan 0.000 0.307 1143 P C -0.870 176.392 177.300 -0.065 0.000 1.307 1143 P CA -0.821 62.258 63.100 -0.035 0.000 0.814 1143 P CB 0.804 32.530 31.700 0.044 0.000 1.311 1144 Y N -1.260 119.039 120.300 -0.000 0.000 2.299 1144 Y HA 0.298 4.848 4.550 0.001 0.000 0.335 1144 Y C 0.687 176.577 175.900 -0.017 0.000 1.287 1144 Y CA 0.069 58.160 58.100 -0.015 0.000 1.424 1144 Y CB 0.733 39.170 38.460 -0.038 0.000 1.326 1144 Y HN -0.094 nan 8.280 nan 0.000 0.567 1145 V N 4.231 124.239 119.914 0.157 0.000 2.378 1145 V HA 0.272 4.392 4.120 0.001 0.000 0.288 1145 V C -0.369 175.772 176.094 0.079 0.000 1.016 1145 V CA -0.969 61.383 62.300 0.086 0.000 0.840 1145 V CB 1.135 32.977 31.823 0.032 0.000 0.994 1145 V HN 0.514 nan 8.190 nan 0.000 0.431 1146 L N 8.137 129.421 121.223 0.102 0.000 2.349 1146 L HA 0.439 4.779 4.340 0.001 0.000 0.275 1146 L C -1.993 174.970 176.870 0.156 0.000 1.115 1146 L CA -1.544 53.366 54.840 0.117 0.000 0.820 1146 L CB 1.592 43.793 42.059 0.236 0.000 1.135 1146 L HN 0.407 nan 8.230 nan 0.000 0.445 1147 P HA 0.101 nan 4.420 nan 0.000 0.278 1147 P C -0.641 176.867 177.300 0.347 0.000 1.238 1147 P CA -0.339 62.870 63.100 0.182 0.000 0.794 1147 P CB 1.553 33.342 31.700 0.149 0.000 0.955 1148 V N 5.184 125.210 119.914 0.188 0.000 2.488 1148 V HA 0.186 4.306 4.120 0.001 0.000 0.277 1148 V C -1.655 174.594 176.094 0.259 0.000 1.046 1148 V CA -1.450 60.966 62.300 0.194 0.000 0.986 1148 V CB 0.729 32.525 31.823 -0.045 0.000 0.989 1148 V HN 0.597 nan 8.190 nan 0.000 0.475 1149 P HA 0.288 nan 4.420 nan 0.000 0.293 1149 P C -1.054 176.236 177.300 -0.017 0.000 1.300 1149 P CA -0.372 62.833 63.100 0.174 0.000 0.792 1149 P CB 0.628 32.418 31.700 0.150 0.000 0.925 1150 F N 3.689 123.608 119.950 -0.051 0.000 2.335 1150 F HA 0.292 4.819 4.527 0.000 0.000 0.365 1150 F C 0.623 176.373 175.800 -0.083 0.000 1.122 1150 F CA -0.383 57.566 58.000 -0.086 0.000 1.151 1150 F CB 0.437 39.380 39.000 -0.096 0.000 1.282 1150 F HN 0.067 nan 8.300 nan 0.000 0.513 1151 L N 3.559 124.777 121.223 -0.008 0.000 2.260 1151 L HA 0.249 4.589 4.340 0.001 0.000 0.289 1151 L C 0.724 177.604 176.870 0.017 0.000 1.057 1151 L CA -0.141 54.683 54.840 -0.026 0.000 0.811 1151 L CB 0.545 42.555 42.059 -0.082 0.000 1.184 1151 L HN 0.518 nan 8.230 nan 0.000 0.429 1152 N N 2.782 121.501 118.700 0.031 0.000 2.739 1152 N HA 0.068 4.809 4.740 0.001 0.000 0.266 1152 N C 1.061 176.617 175.510 0.076 0.000 1.168 1152 N CA -0.391 52.699 53.050 0.067 0.000 1.055 1152 N CB 0.691 39.221 38.487 0.071 0.000 1.393 1152 N HN 0.647 nan 8.380 nan 0.000 0.514 1153 V N 1.428 121.406 119.914 0.107 0.000 3.306 1153 V HA 0.194 4.314 4.120 0.001 0.000 0.264 1153 V C 0.548 176.738 176.094 0.160 0.000 1.149 1153 V CA 0.590 62.999 62.300 0.182 0.000 1.143 1153 V CB -0.415 31.533 31.823 0.208 0.000 0.767 1153 V HN 0.455 nan 8.190 nan 0.000 0.476 1154 L N 1.909 123.214 121.223 0.136 0.000 2.476 1154 L HA 0.610 4.951 4.340 0.001 0.000 0.269 1154 L C -1.470 175.497 176.870 0.161 0.000 0.965 1154 L CA -0.388 54.505 54.840 0.088 0.000 0.845 1154 L CB 1.865 43.917 42.059 -0.012 0.000 1.259 1154 L HN 0.179 nan 8.230 nan 0.000 0.403 1155 N N 3.340 122.105 118.700 0.108 0.000 2.443 1155 N HA 0.736 5.477 4.740 0.001 0.000 0.295 1155 N C -0.207 175.401 175.510 0.164 0.000 1.076 1155 N CA -0.291 52.848 53.050 0.149 0.000 0.919 1155 N CB 2.257 40.798 38.487 0.090 0.000 1.176 1155 N HN 0.763 nan 8.380 nan 0.000 0.487 1156 G N -1.317 107.637 108.800 0.256 0.000 3.021 1156 G HA2 0.657 4.618 3.960 0.001 0.000 0.290 1156 G HA3 0.657 4.618 3.960 0.001 0.000 0.290 1156 G C 0.221 175.279 174.900 0.263 0.000 1.291 1156 G CA -0.072 45.166 45.100 0.231 0.000 0.834 1156 G HN 0.709 nan 8.290 nan 0.000 0.564 1157 G N -0.238 108.723 108.800 0.267 0.000 2.596 1157 G HA2 -0.144 3.816 3.960 0.001 0.000 0.295 1157 G HA3 -0.144 3.816 3.960 0.001 0.000 0.295 1157 G C 1.758 176.822 174.900 0.272 0.000 1.240 1157 G CA 1.810 47.148 45.100 0.395 0.000 0.985 1157 G HN 2.092 nan 8.290 nan 0.000 0.555 1158 S N -0.813 115.063 115.700 0.293 0.000 2.469 1158 S HA -0.076 4.394 4.470 0.001 0.000 0.238 1158 S C 1.453 176.010 174.600 -0.072 0.000 0.998 1158 S CA 1.873 60.122 58.200 0.081 0.000 0.957 1158 S CB -0.223 62.985 63.200 0.014 0.000 0.764 1158 S HN 0.713 nan 8.310 nan 0.000 0.514 1159 H N 1.307 120.441 119.070 0.107 0.000 2.538 1159 H HA 0.693 5.249 4.556 0.001 0.000 0.286 1159 H C 0.747 176.104 175.328 0.049 0.000 1.035 1159 H CA 0.466 56.556 56.048 0.071 0.000 1.169 1159 H CB -0.003 29.805 29.762 0.076 0.000 1.417 1159 H HN 0.612 nan 8.280 nan 0.000 0.567 1160 A N -1.061 121.825 122.820 0.110 0.000 2.535 1160 A HA 0.626 4.946 4.320 0.001 0.000 0.296 1160 A C 0.985 178.563 177.584 -0.010 0.000 1.248 1160 A CA 0.022 52.086 52.037 0.045 0.000 0.686 1160 A CB 0.547 19.568 19.000 0.036 0.000 1.315 1160 A HN 0.178 nan 8.150 nan 0.000 0.460 1161 G N -1.178 107.599 108.800 -0.038 0.000 2.801 1161 G HA2 0.456 4.417 3.960 0.001 0.000 0.213 1161 G HA3 0.456 4.417 3.960 0.001 0.000 0.213 1161 G C 0.764 175.619 174.900 -0.075 0.000 1.052 1161 G CA 1.111 46.177 45.100 -0.057 0.000 0.868 1161 G HN 1.267 nan 8.290 nan 0.000 0.589 1162 G N 0.269 109.021 108.800 -0.079 0.000 2.447 1162 G HA2 0.393 4.353 3.960 0.001 0.000 0.269 1162 G HA3 0.393 4.353 3.960 0.001 0.000 0.269 1162 G C 1.304 176.149 174.900 -0.092 0.000 1.455 1162 G CA 0.571 45.622 45.100 -0.081 0.000 1.061 1162 G HN 0.529 nan 8.290 nan 0.000 0.545 1163 A N -1.477 121.297 122.820 -0.077 0.000 2.147 1163 A HA 0.327 4.647 4.320 0.001 0.000 0.211 1163 A C 1.243 178.789 177.584 -0.063 0.000 1.160 1163 A CA -0.097 51.890 52.037 -0.083 0.000 0.781 1163 A CB -0.342 18.627 19.000 -0.052 0.000 0.842 1163 A HN 0.613 nan 8.150 nan 0.000 0.475 1164 L N 0.766 121.967 121.223 -0.035 0.000 2.700 1164 L HA 0.111 4.452 4.340 0.001 0.000 0.276 1164 L C 1.319 178.251 176.870 0.102 0.000 1.200 1164 L CA 0.567 55.423 54.840 0.027 0.000 0.951 1164 L CB 0.036 42.108 42.059 0.022 0.000 1.226 1164 L HN 0.258 nan 8.230 nan 0.000 0.489 1165 A N 6.112 128.999 122.820 0.111 0.000 1.935 1165 A HA 0.157 4.477 4.320 0.001 0.000 0.214 1165 A C 0.983 178.717 177.584 0.250 0.000 1.178 1165 A CA 0.233 52.401 52.037 0.218 0.000 0.640 1165 A CB -0.400 18.462 19.000 -0.229 0.000 0.825 1165 A HN 0.657 nan 8.150 nan 0.000 0.447 1166 L N 0.534 121.872 121.223 0.192 0.000 2.490 1166 L HA -0.002 4.338 4.340 0.001 0.000 0.274 1166 L C 1.591 178.595 176.870 0.223 0.000 1.201 1166 L CA -0.023 54.912 54.840 0.160 0.000 0.869 1166 L CB 0.483 42.529 42.059 -0.022 0.000 1.123 1166 L HN 0.566 nan 8.230 nan 0.000 0.484 1167 Q N 2.268 122.149 119.800 0.134 0.000 2.062 1167 Q HA 0.013 4.354 4.340 0.001 0.000 0.196 1167 Q C -0.157 175.927 176.000 0.140 0.000 0.967 1167 Q CA 1.008 56.922 55.803 0.185 0.000 0.832 1167 Q CB 0.495 29.337 28.738 0.173 0.000 0.899 1167 Q HN 0.671 nan 8.270 nan 0.000 0.442 1168 E N -0.381 119.794 120.200 -0.042 0.000 2.234 1168 E HA 0.334 4.684 4.350 0.001 0.000 0.266 1168 E C -1.666 174.782 176.600 -0.253 0.000 0.877 1168 E CA -0.467 55.911 56.400 -0.036 0.000 0.758 1168 E CB 1.642 31.328 29.700 -0.022 0.000 1.170 1168 E HN 0.070 nan 8.360 nan 0.000 0.415 1169 F N 3.034 122.990 119.950 0.009 0.000 2.434 1169 F HA 0.402 4.930 4.527 0.000 0.000 0.355 1169 F C -0.112 175.692 175.800 0.006 0.000 1.115 1169 F CA -0.588 57.408 58.000 -0.007 0.000 1.010 1169 F CB 0.865 39.847 39.000 -0.029 0.000 1.234 1169 F HN 0.197 nan 8.300 nan 0.000 0.439 1170 M N 4.952 124.620 119.600 0.114 0.000 2.537 1170 M HA 0.653 5.133 4.480 0.001 0.000 0.324 1170 M C -0.527 175.793 176.300 0.034 0.000 1.187 1170 M CA -0.937 54.416 55.300 0.089 0.000 0.993 1170 M CB 2.401 35.081 32.600 0.134 0.000 1.666 1170 M HN 0.410 nan 8.290 nan 0.000 0.461 1171 I N -0.300 120.250 120.570 -0.032 0.000 2.474 1171 I HA 0.923 5.094 4.170 0.001 0.000 0.294 1171 I C -0.830 175.119 176.117 -0.279 0.000 1.005 1171 I CA -0.912 60.323 61.300 -0.108 0.000 1.113 1171 I CB 1.885 39.848 38.000 -0.062 0.000 1.289 1171 I HN 0.713 nan 8.210 nan 0.000 0.436 1172 A N 5.799 128.367 122.820 -0.421 0.000 2.363 1172 A HA 0.720 5.040 4.320 0.001 0.000 0.296 1172 A C -2.641 174.697 177.584 -0.410 0.000 1.237 1172 A CA -1.570 50.044 52.037 -0.704 0.000 0.773 1172 A CB 0.785 18.885 19.000 -1.500 0.000 1.153 1172 A HN 0.595 nan 8.150 nan 0.000 0.473 1173 P HA 0.065 nan 4.420 nan 0.000 0.231 1173 P C 1.226 178.517 177.300 -0.016 0.000 1.756 1173 P CA 0.386 63.397 63.100 -0.148 0.000 0.990 1173 P CB -0.138 31.454 31.700 -0.180 0.000 1.973 1174 T N -3.459 111.056 114.554 -0.065 0.000 3.007 1174 T HA -0.085 4.265 4.350 0.001 0.000 0.270 1174 T C 1.945 176.728 174.700 0.138 0.000 1.107 1174 T CA 1.225 63.346 62.100 0.035 0.000 1.118 1174 T CB -0.712 68.160 68.868 0.008 0.000 0.889 1174 T HN 0.239 nan 8.240 nan 0.000 0.506 1175 G N 0.893 109.746 108.800 0.088 0.000 2.813 1175 G HA2 0.461 4.421 3.960 0.001 0.000 0.209 1175 G HA3 0.461 4.421 3.960 0.001 0.000 0.209 1175 G C 0.656 175.613 174.900 0.097 0.000 1.150 1175 G CA 0.058 45.211 45.100 0.088 0.000 0.785 1175 G HN 0.846 nan 8.290 nan 0.000 0.535 1176 A N 0.088 122.973 122.820 0.109 0.000 2.406 1176 A HA 0.542 4.862 4.320 0.001 0.000 0.243 1176 A C 1.282 178.901 177.584 0.059 0.000 1.082 1176 A CA -0.067 51.948 52.037 -0.036 0.000 0.786 1176 A CB 0.630 19.451 19.000 -0.298 0.000 1.029 1176 A HN 0.089 nan 8.150 nan 0.000 0.495 1177 K N -0.274 120.072 120.400 -0.091 0.000 2.354 1177 K HA 0.125 4.446 4.320 0.001 0.000 0.194 1177 K C 0.406 176.952 176.600 -0.091 0.000 1.038 1177 K CA 1.219 57.519 56.287 0.022 0.000 1.052 1177 K CB 0.182 32.689 32.500 0.012 0.000 0.861 1177 K HN 0.947 nan 8.250 nan 0.000 0.535 1178 T N -3.641 110.629 114.554 -0.473 0.000 2.843 1178 T HA 0.324 4.674 4.350 0.001 0.000 0.302 1178 T C 0.493 174.623 174.700 -0.949 0.000 1.232 1178 T CA -0.822 60.989 62.100 -0.482 0.000 1.009 1178 T CB 0.795 69.545 68.868 -0.196 0.000 1.254 1178 T HN -0.090 nan 8.240 nan 0.000 0.504 1179 F N 1.780 121.347 119.950 -0.639 0.000 2.171 1179 F HA 0.161 4.688 4.527 0.000 0.000 0.300 1179 F C 2.530 178.139 175.800 -0.319 0.000 1.090 1179 F CA 1.883 59.615 58.000 -0.447 0.000 1.293 1179 F CB -0.759 38.194 39.000 -0.079 0.000 1.013 1179 F HN 0.817 nan 8.300 nan 0.000 0.486 1180 A N -0.029 122.674 122.820 -0.195 0.000 1.908 1180 A HA -0.272 4.048 4.320 0.001 0.000 0.218 1180 A C 2.248 179.650 177.584 -0.304 0.000 1.181 1180 A CA 1.955 53.880 52.037 -0.187 0.000 0.627 1180 A CB -1.047 17.914 19.000 -0.066 0.000 0.818 1180 A HN 0.592 nan 8.150 nan 0.000 0.445 1181 E N -0.228 119.772 120.200 -0.335 0.000 2.072 1181 E HA -0.076 4.274 4.350 0.001 0.000 0.191 1181 E C 2.154 178.515 176.600 -0.398 0.000 0.985 1181 E CA 0.966 57.181 56.400 -0.308 0.000 0.801 1181 E CB -0.285 29.252 29.700 -0.271 0.000 0.750 1181 E HN 0.512 nan 8.360 nan 0.000 0.452 1182 A N 1.273 123.754 122.820 -0.564 0.000 1.883 1182 A HA -0.200 4.120 4.320 0.001 0.000 0.217 1182 A C 2.163 179.449 177.584 -0.497 0.000 1.186 1182 A CA 1.509 53.230 52.037 -0.527 0.000 0.624 1182 A CB -0.784 17.860 19.000 -0.594 0.000 0.822 1182 A HN 0.403 nan 8.150 nan 0.000 0.444 1183 L N -0.094 120.740 121.223 -0.648 0.000 2.046 1183 L HA -0.110 4.231 4.340 0.001 0.000 0.208 1183 L C 2.456 179.155 176.870 -0.284 0.000 1.077 1183 L CA 2.417 56.961 54.840 -0.493 0.000 0.747 1183 L CB -0.721 41.016 42.059 -0.538 0.000 0.896 1183 L HN 0.517 nan 8.230 nan 0.000 0.432 1184 R N -0.443 119.906 120.500 -0.252 0.000 2.081 1184 R HA -0.152 4.188 4.340 0.001 0.000 0.235 1184 R C 2.326 178.535 176.300 -0.151 0.000 1.131 1184 R CA 1.972 57.985 56.100 -0.146 0.000 0.960 1184 R CB -0.377 29.854 30.300 -0.115 0.000 0.856 1184 R HN 0.454 nan 8.270 nan 0.000 0.436 1185 I N 0.307 120.707 120.570 -0.283 0.000 2.179 1185 I HA -0.193 3.977 4.170 0.001 0.000 0.242 1185 I C 2.486 178.460 176.117 -0.238 0.000 1.088 1185 I CA 1.525 62.557 61.300 -0.447 0.000 1.357 1185 I CB -0.686 36.929 38.000 -0.642 0.000 1.051 1185 I HN 0.449 nan 8.210 nan 0.000 0.409 1186 G N 0.652 109.324 108.800 -0.215 0.000 2.446 1186 G HA2 -0.312 3.648 3.960 0.001 0.000 0.217 1186 G HA3 -0.312 3.648 3.960 0.001 0.000 0.217 1186 G C 1.810 176.664 174.900 -0.077 0.000 1.168 1186 G CA 1.217 46.230 45.100 -0.144 0.000 0.771 1186 G HN 0.514 nan 8.290 nan 0.000 0.551 1187 S N 0.668 116.316 115.700 -0.086 0.000 2.368 1187 S HA -0.097 4.374 4.470 0.001 0.000 0.225 1187 S C 2.001 176.626 174.600 0.042 0.000 1.030 1187 S CA 1.726 59.891 58.200 -0.059 0.000 0.999 1187 S CB -0.397 62.807 63.200 0.007 0.000 0.844 1187 S HN 0.593 nan 8.310 nan 0.000 0.459 1188 E N 0.866 121.137 120.200 0.119 0.000 2.072 1188 E HA -0.062 4.288 4.350 0.001 0.000 0.191 1188 E C 2.220 178.917 176.600 0.162 0.000 0.985 1188 E CA 1.290 57.812 56.400 0.205 0.000 0.801 1188 E CB -0.400 29.447 29.700 0.246 0.000 0.750 1188 E HN 0.417 nan 8.360 nan 0.000 0.452 1189 V N 0.949 120.944 119.914 0.135 0.000 2.343 1189 V HA -0.280 3.840 4.120 0.001 0.000 0.247 1189 V C 2.090 178.225 176.094 0.069 0.000 1.051 1189 V CA 1.867 64.230 62.300 0.106 0.000 1.036 1189 V CB -0.614 31.259 31.823 0.083 0.000 0.654 1189 V HN 0.302 nan 8.190 nan 0.000 0.451 1190 Y N 0.797 121.040 120.300 -0.095 0.000 2.128 1190 Y HA -0.278 4.272 4.550 0.000 0.000 0.284 1190 Y C 2.755 178.569 175.900 -0.145 0.000 1.154 1190 Y CA 2.125 60.128 58.100 -0.162 0.000 1.149 1190 Y CB -0.456 37.831 38.460 -0.288 0.000 0.976 1190 Y HN 0.363 nan 8.280 nan 0.000 0.505 1191 H N -0.326 118.747 119.070 0.005 0.000 2.423 1191 H HA -0.124 4.432 4.556 0.001 0.000 0.297 1191 H C 1.989 177.255 175.328 -0.103 0.000 1.075 1191 H CA 1.367 57.363 56.048 -0.086 0.000 1.342 1191 H CB -0.345 29.433 29.762 0.027 0.000 1.395 1191 H HN 0.478 nan 8.280 nan 0.000 0.530 1192 N N 0.707 119.437 118.700 0.050 0.000 2.142 1192 N HA -0.112 4.628 4.740 0.001 0.000 0.186 1192 N C 2.158 177.647 175.510 -0.036 0.000 1.023 1192 N CA 0.515 53.572 53.050 0.013 0.000 0.852 1192 N CB -0.210 38.292 38.487 0.025 0.000 0.998 1192 N HN 0.191 nan 8.380 nan 0.000 0.424 1193 L N 2.172 123.351 121.223 -0.073 0.000 2.046 1193 L HA -0.119 4.222 4.340 0.001 0.000 0.208 1193 L C 2.251 179.042 176.870 -0.131 0.000 1.077 1193 L CA 1.770 56.556 54.840 -0.091 0.000 0.747 1193 L CB -0.478 41.522 42.059 -0.099 0.000 0.896 1193 L HN -0.002 nan 8.230 nan 0.000 0.432 1194 K N -1.235 119.020 120.400 -0.242 0.000 2.026 1194 K HA -0.184 4.136 4.320 0.001 0.000 0.208 1194 K C 2.374 178.919 176.600 -0.091 0.000 1.048 1194 K CA 1.480 57.632 56.287 -0.226 0.000 0.929 1194 K CB -0.286 32.008 32.500 -0.345 0.000 0.713 1194 K HN 0.426 nan 8.250 nan 0.000 0.439 1195 S N 0.519 116.183 115.700 -0.061 0.000 2.368 1195 S HA -0.086 4.385 4.470 0.001 0.000 0.225 1195 S C 1.899 176.484 174.600 -0.024 0.000 1.030 1195 S CA 1.021 59.204 58.200 -0.029 0.000 0.999 1195 S CB -0.198 62.991 63.200 -0.018 0.000 0.844 1195 S HN 0.307 nan 8.310 nan 0.000 0.459 1196 L N 0.550 121.758 121.223 -0.024 0.000 2.056 1196 L HA -0.062 4.278 4.340 0.001 0.000 0.207 1196 L C 2.809 179.683 176.870 0.007 0.000 1.078 1196 L CA 1.524 56.353 54.840 -0.017 0.000 0.749 1196 L CB -1.075 40.977 42.059 -0.013 0.000 0.901 1196 L HN 0.316 nan 8.230 nan 0.000 0.433 1197 T N -0.349 114.232 114.554 0.044 0.000 2.746 1197 T HA -0.192 4.158 4.350 0.001 0.000 0.267 1197 T C 1.918 176.709 174.700 0.152 0.000 1.039 1197 T CA 1.313 63.514 62.100 0.167 0.000 1.142 1197 T CB -0.067 68.854 68.868 0.089 0.000 0.866 1197 T HN 0.265 nan 8.240 nan 0.000 0.444 1198 K N 0.768 121.200 120.400 0.053 0.000 2.097 1198 K HA -0.030 4.290 4.320 0.001 0.000 0.205 1198 K C 2.355 178.959 176.600 0.007 0.000 1.050 1198 K CA 0.944 57.253 56.287 0.036 0.000 0.938 1198 K CB -0.050 32.456 32.500 0.009 0.000 0.718 1198 K HN 0.233 nan 8.250 nan 0.000 0.442 1199 K N 0.996 121.383 120.400 -0.021 0.000 2.103 1199 K HA -0.113 4.208 4.320 0.001 0.000 0.204 1199 K C 2.123 178.659 176.600 -0.108 0.000 1.052 1199 K CA 1.145 57.400 56.287 -0.053 0.000 0.945 1199 K CB 0.137 32.605 32.500 -0.054 0.000 0.722 1199 K HN -0.052 nan 8.250 nan 0.000 0.443 1200 R N -1.279 119.111 120.500 -0.183 0.000 2.173 1200 R HA 0.007 4.347 4.340 0.001 0.000 0.208 1200 R C 0.859 176.804 176.300 -0.591 0.000 1.035 1200 R CA 0.899 56.741 56.100 -0.430 0.000 1.004 1200 R CB 0.284 30.208 30.300 -0.626 0.000 0.917 1200 R HN 0.229 nan 8.270 nan 0.000 0.462 1201 Y N -1.508 118.774 120.300 -0.030 0.000 2.453 1201 Y HA 0.401 4.951 4.550 0.000 0.000 0.247 1201 Y C 0.663 176.550 175.900 -0.022 0.000 1.124 1201 Y CA 0.267 58.350 58.100 -0.028 0.000 1.243 1201 Y CB 1.547 39.987 38.460 -0.033 0.000 1.213 1201 Y HN 0.167 nan 8.280 nan 0.000 0.523 1202 G N 0.354 109.205 108.800 0.085 0.000 2.603 1202 G HA2 0.067 4.027 3.960 0.001 0.000 0.686 1202 G HA3 0.067 4.027 3.960 0.001 0.000 0.686 1202 G C 0.669 175.599 174.900 0.051 0.000 1.286 1202 G CA -0.414 44.717 45.100 0.050 0.000 0.871 1202 G HN 0.400 nan 8.290 nan 0.000 0.568 1203 A N -0.198 122.640 122.820 0.030 0.000 1.969 1203 A HA 0.197 4.518 4.320 0.001 0.000 0.218 1203 A C 2.731 180.331 177.584 0.027 0.000 1.169 1203 A CA 2.828 54.880 52.037 0.024 0.000 0.635 1203 A CB -0.706 18.304 19.000 0.016 0.000 0.810 1203 A HN 1.665 nan 8.150 nan 0.000 0.445 1204 S N 0.447 116.165 115.700 0.030 0.000 2.359 1204 S HA -0.149 4.321 4.470 0.001 0.000 0.224 1204 S C 2.261 176.875 174.600 0.023 0.000 1.035 1204 S CA 1.371 59.587 58.200 0.026 0.000 1.018 1204 S CB -0.586 62.630 63.200 0.026 0.000 0.876 1204 S HN 0.841 nan 8.310 nan 0.000 0.448 1205 A N 1.484 124.324 122.820 0.034 0.000 2.070 1205 A HA 0.117 4.438 4.320 0.001 0.000 0.220 1205 A C 2.293 179.881 177.584 0.007 0.000 1.159 1205 A CA 1.518 53.562 52.037 0.011 0.000 0.656 1205 A CB -1.326 17.697 19.000 0.038 0.000 0.800 1205 A HN 0.531 nan 8.150 nan 0.000 0.453 1206 G N 0.289 109.101 108.800 0.020 0.000 2.450 1206 G HA2 -0.205 3.755 3.960 0.001 0.000 0.220 1206 G HA3 -0.205 3.755 3.960 0.001 0.000 0.220 1206 G C 0.778 175.687 174.900 0.014 0.000 1.130 1206 G CA 0.329 45.434 45.100 0.008 0.000 0.760 1206 G HN 0.535 nan 8.290 nan 0.000 0.557 1207 N N 0.115 118.829 118.700 0.023 0.000 2.344 1207 N HA 0.192 4.932 4.740 0.001 0.000 0.236 1207 N C 0.407 175.944 175.510 0.045 0.000 1.279 1207 N CA 0.398 53.469 53.050 0.036 0.000 0.882 1207 N CB 1.397 39.903 38.487 0.032 0.000 1.110 1207 N HN 0.208 nan 8.380 nan 0.000 0.436 1208 V N -2.166 117.786 119.914 0.064 0.000 2.850 1208 V HA 0.857 4.977 4.120 0.001 0.000 0.315 1208 V C 0.846 176.979 176.094 0.065 0.000 1.064 1208 V CA -0.833 61.514 62.300 0.079 0.000 0.979 1208 V CB 1.164 33.055 31.823 0.113 0.000 1.039 1208 V HN 0.602 nan 8.190 nan 0.000 0.452 1209 G N 0.919 109.756 108.800 0.062 0.000 2.543 1209 G HA2 0.320 4.281 3.960 0.001 0.000 0.290 1209 G HA3 0.320 4.281 3.960 0.001 0.000 0.290 1209 G C 0.197 175.120 174.900 0.039 0.000 1.310 1209 G CA -0.015 45.120 45.100 0.059 0.000 1.025 1209 G HN 0.786 nan 8.290 nan 0.000 0.502 1210 D N -0.375 120.048 120.400 0.038 0.000 2.203 1210 D HA -0.107 4.534 4.640 0.001 0.000 0.199 1210 D C 1.816 178.104 176.300 -0.020 0.000 0.997 1210 D CA 1.296 55.308 54.000 0.020 0.000 0.863 1210 D CB 0.205 41.035 40.800 0.050 0.000 0.928 1210 D HN 0.629 nan 8.370 nan 0.000 0.458 1211 E N -1.151 119.012 120.200 -0.062 0.000 2.463 1211 E HA 0.280 4.630 4.350 0.001 0.000 0.193 1211 E C 1.120 177.727 176.600 0.011 0.000 1.041 1211 E CA 0.229 56.621 56.400 -0.012 0.000 0.879 1211 E CB 0.685 30.375 29.700 -0.015 0.000 0.997 1211 E HN 0.278 nan 8.360 nan 0.000 0.478 1212 G N 0.939 109.749 108.800 0.017 0.000 2.195 1212 G HA2 -0.250 3.711 3.960 0.001 0.000 0.246 1212 G HA3 -0.250 3.711 3.960 0.001 0.000 0.246 1212 G C 0.582 175.544 174.900 0.105 0.000 0.984 1212 G CA -0.224 44.893 45.100 0.028 0.000 0.633 1212 G HN 0.476 nan 8.290 nan 0.000 0.525 1213 G N -0.430 108.432 108.800 0.103 0.000 2.562 1213 G HA2 0.676 4.636 3.960 0.001 0.000 0.275 1213 G HA3 0.676 4.636 3.960 0.001 0.000 0.275 1213 G C 0.641 175.629 174.900 0.146 0.000 1.196 1213 G CA 0.340 45.552 45.100 0.186 0.000 0.908 1213 G HN 1.533 nan 8.290 nan 0.000 0.524 1214 V N -1.960 118.020 119.914 0.111 0.000 2.881 1214 V HA 0.677 4.798 4.120 0.001 0.000 0.303 1214 V C 0.604 176.694 176.094 -0.007 0.000 1.070 1214 V CA -0.206 62.107 62.300 0.022 0.000 1.074 1214 V CB 1.286 33.082 31.823 -0.044 0.000 1.012 1214 V HN 1.362 nan 8.190 nan 0.000 0.482 1215 A N 3.952 126.752 122.820 -0.034 0.000 3.370 1215 A HA 0.644 4.964 4.320 0.001 0.000 0.295 1215 A C -2.017 175.494 177.584 -0.121 0.000 1.030 1215 A CA -1.064 50.941 52.037 -0.052 0.000 0.883 1215 A CB -0.098 18.907 19.000 0.008 0.000 1.191 1215 A HN 0.827 nan 8.150 nan 0.000 0.507 1216 P HA 0.214 nan 4.420 nan 0.000 0.276 1216 P C -0.629 176.440 177.300 -0.386 0.000 1.252 1216 P CA -0.417 62.440 63.100 -0.404 0.000 0.802 1216 P CB 0.741 31.914 31.700 -0.878 0.000 1.035 1217 N N 0.889 119.408 118.700 -0.302 0.000 2.466 1217 N HA 0.175 4.915 4.740 0.001 0.000 0.263 1217 N C -0.111 175.281 175.510 -0.196 0.000 1.178 1217 N CA -0.053 52.890 53.050 -0.179 0.000 0.983 1217 N CB -0.762 37.683 38.487 -0.069 0.000 1.331 1217 N HN 0.319 nan 8.380 nan 0.000 0.500 1218 I N -1.397 119.045 120.570 -0.213 0.000 2.460 1218 I HA 0.367 4.537 4.170 0.001 0.000 0.298 1218 I C 0.689 176.760 176.117 -0.078 0.000 0.989 1218 I CA -0.902 60.309 61.300 -0.147 0.000 1.173 1218 I CB 1.981 39.846 38.000 -0.224 0.000 1.338 1218 I HN 0.128 nan 8.210 nan 0.000 0.456 1219 Q N 2.639 122.420 119.800 -0.032 0.000 2.165 1219 Q HA 0.079 4.419 4.340 0.001 0.000 0.197 1219 Q C 0.826 176.815 176.000 -0.019 0.000 0.952 1219 Q CA 1.208 56.998 55.803 -0.022 0.000 0.848 1219 Q CB 0.194 28.931 28.738 -0.002 0.000 0.931 1219 Q HN 0.927 nan 8.270 nan 0.000 0.470 1220 T N -3.939 110.605 114.554 -0.017 0.000 2.916 1220 T HA 0.696 5.046 4.350 0.001 0.000 0.292 1220 T C 0.879 175.568 174.700 -0.018 0.000 1.055 1220 T CA -0.230 61.869 62.100 -0.002 0.000 1.009 1220 T CB 1.861 70.740 68.868 0.018 0.000 1.118 1220 T HN 0.005 nan 8.240 nan 0.000 0.497 1221 A N 0.841 123.685 122.820 0.041 0.000 1.902 1221 A HA -0.030 4.291 4.320 0.001 0.000 0.217 1221 A C 2.021 179.590 177.584 -0.026 0.000 1.181 1221 A CA 1.799 53.887 52.037 0.085 0.000 0.623 1221 A CB -1.120 18.022 19.000 0.236 0.000 0.818 1221 A HN 0.916 nan 8.150 nan 0.000 0.443 1222 E N -0.114 120.115 120.200 0.049 0.000 2.097 1222 E HA -0.216 4.134 4.350 0.001 0.000 0.196 1222 E C 1.896 178.507 176.600 0.018 0.000 1.000 1222 E CA 1.520 57.983 56.400 0.106 0.000 0.804 1222 E CB -0.295 29.521 29.700 0.193 0.000 0.740 1222 E HN 0.823 nan 8.360 nan 0.000 0.454 1223 E N 0.001 120.195 120.200 -0.011 0.000 2.077 1223 E HA -0.205 4.145 4.350 0.001 0.000 0.193 1223 E C 1.960 178.498 176.600 -0.103 0.000 0.989 1223 E CA 1.077 57.466 56.400 -0.019 0.000 0.800 1223 E CB -0.104 29.598 29.700 0.003 0.000 0.746 1223 E HN 0.266 nan 8.360 nan 0.000 0.452 1224 A N 0.955 123.618 122.820 -0.261 0.000 1.855 1224 A HA -0.142 4.178 4.320 0.001 0.000 0.215 1224 A C 2.206 179.548 177.584 -0.403 0.000 1.191 1224 A CA 1.175 52.932 52.037 -0.466 0.000 0.613 1224 A CB -0.747 17.632 19.000 -1.035 0.000 0.829 1224 A HN 0.297 nan 8.150 nan 0.000 0.442 1225 L N -0.348 120.622 121.223 -0.422 0.000 2.079 1225 L HA -0.205 4.136 4.340 0.001 0.000 0.210 1225 L C 1.957 178.664 176.870 -0.272 0.000 1.081 1225 L CA 1.384 55.953 54.840 -0.452 0.000 0.752 1225 L CB -0.646 40.801 42.059 -1.021 0.000 0.896 1225 L HN 0.325 nan 8.230 nan 0.000 0.433 1226 D N -0.077 120.258 120.400 -0.108 0.000 2.178 1226 D HA -0.150 4.490 4.640 0.001 0.000 0.202 1226 D C 2.314 178.629 176.300 0.024 0.000 0.974 1226 D CA 0.918 54.963 54.000 0.074 0.000 0.841 1226 D CB 0.003 40.870 40.800 0.111 0.000 0.953 1226 D HN 0.272 nan 8.370 nan 0.000 0.478 1227 L N 0.522 121.731 121.223 -0.024 0.000 2.056 1227 L HA -0.120 4.220 4.340 0.001 0.000 0.207 1227 L C 2.332 179.193 176.870 -0.015 0.000 1.078 1227 L CA 0.784 55.620 54.840 -0.007 0.000 0.749 1227 L CB -0.107 41.950 42.059 -0.004 0.000 0.901 1227 L HN 0.000 nan 8.230 nan 0.000 0.433 1228 I N -1.197 119.347 120.570 -0.043 0.000 2.226 1228 I HA -0.283 3.887 4.170 0.001 0.000 0.245 1228 I C 2.399 178.526 176.117 0.017 0.000 1.100 1228 I CA 1.014 62.304 61.300 -0.016 0.000 1.374 1228 I CB -0.326 37.662 38.000 -0.021 0.000 1.057 1228 I HN 0.052 nan 8.210 nan 0.000 0.413 1229 V N 0.862 120.798 119.914 0.036 0.000 2.343 1229 V HA -0.288 3.832 4.120 0.001 0.000 0.247 1229 V C 2.064 178.188 176.094 0.050 0.000 1.051 1229 V CA 1.986 64.329 62.300 0.071 0.000 1.036 1229 V CB -0.733 31.170 31.823 0.132 0.000 0.654 1229 V HN 0.402 nan 8.190 nan 0.000 0.451 1230 D N 0.568 120.990 120.400 0.038 0.000 2.117 1230 D HA -0.120 4.520 4.640 0.001 0.000 0.197 1230 D C 2.248 178.557 176.300 0.015 0.000 0.987 1230 D CA 1.658 55.672 54.000 0.023 0.000 0.829 1230 D CB -0.386 40.422 40.800 0.015 0.000 0.961 1230 D HN 0.448 nan 8.370 nan 0.000 0.460 1231 A N 0.896 123.724 122.820 0.015 0.000 1.877 1231 A HA -0.150 4.171 4.320 0.001 0.000 0.216 1231 A C 2.395 179.996 177.584 0.029 0.000 1.186 1231 A CA 0.993 53.038 52.037 0.014 0.000 0.620 1231 A CB -0.786 18.219 19.000 0.008 0.000 0.822 1231 A HN 0.195 nan 8.150 nan 0.000 0.443 1232 I N -0.440 120.154 120.570 0.040 0.000 2.208 1232 I HA -0.297 3.873 4.170 0.001 0.000 0.245 1232 I C 2.566 178.706 176.117 0.038 0.000 1.097 1232 I CA 2.013 63.349 61.300 0.060 0.000 1.363 1232 I CB -0.276 37.760 38.000 0.060 0.000 1.051 1232 I HN 0.423 nan 8.210 nan 0.000 0.413 1233 K N 1.460 121.874 120.400 0.022 0.000 2.025 1233 K HA -0.169 4.151 4.320 0.001 0.000 0.207 1233 K C 2.247 178.831 176.600 -0.026 0.000 1.049 1233 K CA 1.497 57.785 56.287 0.001 0.000 0.933 1233 K CB -0.159 32.346 32.500 0.009 0.000 0.714 1233 K HN 0.260 nan 8.250 nan 0.000 0.438 1234 A N 0.996 123.805 122.820 -0.018 0.000 1.940 1234 A HA -0.095 4.225 4.320 0.001 0.000 0.219 1234 A C 2.227 179.777 177.584 -0.056 0.000 1.176 1234 A CA 1.852 53.872 52.037 -0.029 0.000 0.631 1234 A CB -0.735 18.256 19.000 -0.015 0.000 0.814 1234 A HN 0.500 nan 8.150 nan 0.000 0.446 1235 A N -1.645 121.142 122.820 -0.056 0.000 2.206 1235 A HA 0.384 4.705 4.320 0.001 0.000 0.211 1235 A C 1.828 179.167 177.584 -0.410 0.000 1.158 1235 A CA 1.227 53.194 52.037 -0.117 0.000 0.761 1235 A CB -1.090 17.950 19.000 0.067 0.000 0.801 1235 A HN 1.934 nan 8.150 nan 0.000 0.473 1236 G N -1.126 107.511 108.800 -0.272 0.000 2.198 1236 G HA2 -0.259 3.701 3.960 0.001 0.000 0.260 1236 G HA3 -0.259 3.701 3.960 0.001 0.000 0.260 1236 G C 0.282 174.970 174.900 -0.355 0.000 1.025 1236 G CA 0.562 45.487 45.100 -0.291 0.000 0.769 1236 G HN 0.698 nan 8.290 nan 0.000 0.507 1237 H N 0.164 119.233 119.070 -0.002 0.000 2.486 1237 H HA 0.185 4.741 4.556 0.000 0.000 0.284 1237 H C 0.255 175.582 175.328 -0.001 0.000 1.103 1237 H CA -0.358 55.686 56.048 -0.006 0.000 1.089 1237 H CB 0.374 30.126 29.762 -0.016 0.000 1.603 1237 H HN 0.349 nan 8.280 nan 0.000 0.557 1238 D N 0.776 121.220 120.400 0.074 0.000 2.531 1238 D HA 0.135 4.775 4.640 0.001 0.000 0.239 1238 D C 1.619 177.954 176.300 0.057 0.000 1.144 1238 D CA 1.640 55.673 54.000 0.057 0.000 0.869 1238 D CB 0.799 41.618 40.800 0.032 0.000 1.160 1238 D HN 0.607 nan 8.370 nan 0.000 0.484 1239 G N 2.596 111.428 108.800 0.054 0.000 2.241 1239 G HA2 -0.347 3.613 3.960 0.001 0.000 0.244 1239 G HA3 -0.347 3.613 3.960 0.001 0.000 0.244 1239 G C 1.034 175.963 174.900 0.048 0.000 0.998 1239 G CA 0.291 45.420 45.100 0.048 0.000 0.621 1239 G HN 0.518 nan 8.290 nan 0.000 0.519 1240 K N -0.437 119.994 120.400 0.051 0.000 2.374 1240 K HA 0.484 4.804 4.320 0.001 0.000 0.202 1240 K C 0.054 176.653 176.600 -0.002 0.000 1.040 1240 K CA 0.337 56.644 56.287 0.034 0.000 1.085 1240 K CB 1.679 34.201 32.500 0.038 0.000 0.873 1240 K HN 0.232 nan 8.250 nan 0.000 0.539 1241 V N 2.521 122.436 119.914 0.001 0.000 2.444 1241 V HA 0.270 4.390 4.120 0.001 0.000 0.294 1241 V C -0.264 175.808 176.094 -0.036 0.000 1.022 1241 V CA -0.970 61.305 62.300 -0.041 0.000 0.850 1241 V CB 1.509 33.320 31.823 -0.020 0.000 0.992 1241 V HN 0.005 nan 8.190 nan 0.000 0.426 1242 K N 3.769 124.113 120.400 -0.093 0.000 2.210 1242 K HA 0.708 5.029 4.320 0.001 0.000 0.236 1242 K C -0.657 175.889 176.600 -0.089 0.000 1.016 1242 K CA -0.745 55.501 56.287 -0.069 0.000 0.913 1242 K CB 2.361 34.809 32.500 -0.086 0.000 1.141 1242 K HN 0.474 nan 8.250 nan 0.000 0.462 1243 I N 0.029 120.586 120.570 -0.020 0.000 2.530 1243 I HA 0.425 4.595 4.170 0.001 0.000 0.297 1243 I C 0.401 176.548 176.117 0.050 0.000 1.011 1243 I CA -0.763 60.542 61.300 0.009 0.000 1.107 1243 I CB 2.219 40.251 38.000 0.054 0.000 1.285 1243 I HN 0.555 nan 8.210 nan 0.000 0.436 1244 G N 5.513 114.361 108.800 0.080 0.000 2.498 1244 G HA2 0.837 4.797 3.960 0.001 0.000 0.312 1244 G HA3 0.837 4.797 3.960 0.001 0.000 0.312 1244 G C -1.370 173.525 174.900 -0.009 0.000 1.230 1244 G CA -0.529 44.655 45.100 0.141 0.000 0.968 1244 G HN 0.419 nan 8.290 nan 0.000 0.481 1245 L N 0.513 121.675 121.223 -0.102 0.000 2.422 1245 L HA 0.458 4.798 4.340 0.001 0.000 0.264 1245 L C -1.569 175.152 176.870 -0.249 0.000 0.984 1245 L CA -0.936 53.745 54.840 -0.265 0.000 0.819 1245 L CB 2.872 44.718 42.059 -0.355 0.000 1.330 1245 L HN 0.467 nan 8.230 nan 0.000 0.410 1246 D N 0.818 121.058 120.400 -0.266 0.000 2.420 1246 D HA 0.265 4.906 4.640 0.001 0.000 0.255 1246 D C 0.438 176.616 176.300 -0.202 0.000 1.185 1246 D CA -0.428 53.458 54.000 -0.190 0.000 0.904 1246 D CB 1.410 42.152 40.800 -0.097 0.000 1.102 1246 D HN 0.493 nan 8.370 nan 0.000 0.534 1247 C N 2.769 121.923 119.300 -0.243 0.000 2.435 1247 C HA 0.237 4.697 4.460 0.001 0.000 0.279 1247 C C 1.785 176.726 174.990 -0.081 0.000 1.321 1247 C CA 0.559 59.483 59.018 -0.157 0.000 1.752 1247 C CB -1.242 26.352 27.740 -0.244 0.000 1.959 1247 C HN 0.895 nan 8.230 nan 0.000 0.500 1248 A N 1.263 123.991 122.820 -0.154 0.000 2.745 1248 A HA -0.248 4.072 4.320 0.001 0.000 0.296 1248 A C 1.680 179.045 177.584 -0.365 0.000 1.500 1248 A CA 1.008 52.946 52.037 -0.164 0.000 0.766 1248 A CB -1.961 17.000 19.000 -0.065 0.000 1.030 1248 A HN 1.124 nan 8.150 nan 0.000 0.489 1249 S N -0.856 114.527 115.700 -0.527 0.000 2.423 1249 S HA -0.213 4.257 4.470 0.001 0.000 0.238 1249 S C 1.710 175.749 174.600 -0.935 0.000 1.028 1249 S CA 1.803 59.328 58.200 -1.126 0.000 1.000 1249 S CB -0.690 62.083 63.200 -0.712 0.000 0.797 1249 S HN 1.179 nan 8.310 nan 0.000 0.487 1250 S N 1.515 116.939 115.700 -0.460 0.000 2.440 1250 S HA -0.076 4.395 4.470 0.001 0.000 0.238 1250 S C 1.800 176.216 174.600 -0.307 0.000 1.010 1250 S CA 1.148 59.181 58.200 -0.278 0.000 0.972 1250 S CB -0.370 62.735 63.200 -0.159 0.000 0.774 1250 S HN 0.563 nan 8.310 nan 0.000 0.501 1251 E N 0.796 120.714 120.200 -0.470 0.000 2.208 1251 E HA -0.039 4.311 4.350 0.001 0.000 0.193 1251 E C 0.810 177.078 176.600 -0.553 0.000 0.988 1251 E CA 0.671 56.816 56.400 -0.425 0.000 0.828 1251 E CB -0.118 29.348 29.700 -0.391 0.000 0.763 1251 E HN 0.823 nan 8.360 nan 0.000 0.478 1252 F N -1.596 118.026 119.950 -0.547 0.000 2.881 1252 F HA 0.380 4.907 4.527 0.000 0.000 0.343 1252 F C -0.226 175.436 175.800 -0.230 0.000 1.233 1252 F CA -1.367 56.319 58.000 -0.525 0.000 1.262 1252 F CB -0.382 38.192 39.000 -0.710 0.000 0.980 1252 F HN -0.291 nan 8.300 nan 0.000 0.506 1253 F N 3.426 123.127 119.950 -0.415 0.000 2.361 1253 F HA 0.655 5.183 4.527 0.001 0.000 0.364 1253 F C -0.600 174.980 175.800 -0.367 0.000 1.120 1253 F CA -1.177 56.521 58.000 -0.503 0.000 1.102 1253 F CB 0.639 39.328 39.000 -0.518 0.000 1.183 1253 F HN 0.025 nan 8.300 nan 0.000 0.476 1254 K N 4.576 124.519 120.400 -0.761 0.000 2.468 1254 K HA 0.312 4.633 4.320 0.001 0.000 0.252 1254 K C -1.063 175.311 176.600 -0.376 0.000 0.932 1254 K CA -0.956 54.995 56.287 -0.560 0.000 0.794 1254 K CB 1.909 34.144 32.500 -0.442 0.000 1.241 1254 K HN 0.480 nan 8.250 nan 0.000 0.428 1255 D N 1.569 121.804 120.400 -0.275 0.000 2.689 1255 D HA -0.182 4.458 4.640 0.001 0.000 0.237 1255 D C 0.806 176.989 176.300 -0.195 0.000 1.148 1255 D CA 1.900 55.827 54.000 -0.121 0.000 0.656 1255 D CB -0.974 39.895 40.800 0.115 0.000 1.050 1255 D HN 1.016 nan 8.370 nan 0.000 0.426 1256 G N -0.861 107.629 108.800 -0.515 0.000 2.175 1256 G HA2 -0.404 3.556 3.960 0.001 0.000 0.265 1256 G HA3 -0.404 3.556 3.960 0.001 0.000 0.265 1256 G C 0.359 175.212 174.900 -0.079 0.000 0.979 1256 G CA 1.037 45.978 45.100 -0.266 0.000 0.663 1256 G HN 0.550 nan 8.290 nan 0.000 0.533 1257 K N -1.172 119.096 120.400 -0.220 0.000 2.395 1257 K HA 0.619 4.939 4.320 0.001 0.000 0.247 1257 K C -1.195 175.320 176.600 -0.142 0.000 0.973 1257 K CA -1.001 55.312 56.287 0.043 0.000 0.828 1257 K CB 1.527 34.210 32.500 0.305 0.000 1.272 1257 K HN 0.069 nan 8.250 nan 0.000 0.439 1258 Y N 0.612 121.049 120.300 0.227 0.000 2.331 1258 Y HA 0.144 4.694 4.550 0.001 0.000 0.338 1258 Y C -0.237 175.648 175.900 -0.025 0.000 0.976 1258 Y CA -0.805 57.424 58.100 0.215 0.000 1.137 1258 Y CB 1.115 39.801 38.460 0.376 0.000 1.172 1258 Y HN 0.508 nan 8.280 nan 0.000 0.478 1259 D N 3.833 124.119 120.400 -0.191 0.000 2.428 1259 D HA 0.195 4.835 4.640 0.001 0.000 0.221 1259 D C 0.333 176.519 176.300 -0.189 0.000 1.123 1259 D CA -0.105 53.604 54.000 -0.485 0.000 0.869 1259 D CB 0.697 40.799 40.800 -1.163 0.000 1.032 1259 D HN 0.620 nan 8.370 nan 0.000 0.506 1260 L N 2.373 123.480 121.223 -0.193 0.000 2.633 1260 L HA 0.041 4.381 4.340 0.001 0.000 0.235 1260 L C 0.806 177.626 176.870 -0.083 0.000 1.163 1260 L CA 0.588 55.247 54.840 -0.301 0.000 0.859 1260 L CB -0.095 41.834 42.059 -0.217 0.000 0.973 1260 L HN 0.364 nan 8.230 nan 0.000 0.451 1261 D N -0.994 119.417 120.400 0.018 0.000 2.804 1261 D HA 0.024 4.664 4.640 0.001 0.000 0.308 1261 D C 1.396 177.727 176.300 0.052 0.000 1.371 1261 D CA -0.432 53.586 54.000 0.031 0.000 0.823 1261 D CB 0.115 40.949 40.800 0.057 0.000 1.126 1261 D HN 0.246 nan 8.370 nan 0.000 0.467 1262 F N 0.135 120.036 119.950 -0.082 0.000 2.333 1262 F HA 0.055 4.582 4.527 0.001 0.000 0.300 1262 F C 1.214 177.016 175.800 0.002 0.000 1.083 1262 F CA 0.546 58.524 58.000 -0.037 0.000 1.395 1262 F CB -0.259 38.747 39.000 0.010 0.000 1.056 1262 F HN -0.131 nan 8.300 nan 0.000 0.529 1263 K N 0.836 120.757 120.400 -0.798 0.000 2.591 1263 K HA -0.004 4.316 4.320 0.001 0.000 0.197 1263 K C -0.294 176.152 176.600 -0.256 0.000 1.026 1263 K CA 0.064 55.964 56.287 -0.645 0.000 1.127 1263 K CB -0.591 31.499 32.500 -0.685 0.000 0.871 1263 K HN 0.255 nan 8.250 nan 0.000 0.507 1264 N N 0.801 119.422 118.700 -0.131 0.000 2.399 1264 N HA 0.131 4.871 4.740 0.001 0.000 0.280 1264 N C -1.848 173.673 175.510 0.019 0.000 1.008 1264 N CA -2.171 50.855 53.050 -0.039 0.000 0.894 1264 N CB 1.515 39.999 38.487 -0.005 0.000 1.273 1264 N HN -0.242 nan 8.380 nan 0.000 0.486 1265 P HA -0.100 nan 4.420 nan 0.000 0.216 1265 P C -0.437 176.901 177.300 0.063 0.000 1.150 1265 P CA 1.235 64.358 63.100 0.038 0.000 0.837 1265 P CB 0.313 32.025 31.700 0.020 0.000 0.786 1266 N N 0.085 118.819 118.700 0.056 0.000 2.546 1266 N HA 0.057 4.797 4.740 0.001 0.000 0.286 1266 N C 0.031 175.594 175.510 0.088 0.000 1.259 1266 N CA -0.003 53.083 53.050 0.061 0.000 0.939 1266 N CB 0.116 38.624 38.487 0.034 0.000 1.243 1266 N HN 0.048 nan 8.380 nan 0.000 0.511 1267 S N 1.040 116.830 115.700 0.150 0.000 2.563 1267 S HA -0.121 4.350 4.470 0.001 0.000 0.294 1267 S C 0.126 174.860 174.600 0.225 0.000 1.279 1267 S CA -0.278 58.062 58.200 0.233 0.000 1.069 1267 S CB 0.320 63.746 63.200 0.377 0.000 0.828 1267 S HN 0.304 nan 8.310 nan 0.000 0.497 1268 D N 3.881 124.382 120.400 0.168 0.000 2.346 1268 D HA 0.111 4.752 4.640 0.001 0.000 0.267 1268 D C 1.064 177.321 176.300 -0.072 0.000 1.320 1268 D CA 0.215 54.242 54.000 0.046 0.000 0.951 1268 D CB 0.498 41.327 40.800 0.048 0.000 1.079 1268 D HN 0.574 nan 8.370 nan 0.000 0.509 1269 K N 1.494 121.636 120.400 -0.428 0.000 2.280 1269 K HA -0.122 4.198 4.320 0.001 0.000 0.202 1269 K C 1.722 177.891 176.600 -0.718 0.000 1.047 1269 K CA 1.156 56.689 56.287 -1.256 0.000 0.942 1269 K CB -0.025 31.804 32.500 -1.118 0.000 0.739 1269 K HN 0.476 nan 8.250 nan 0.000 0.457 1270 S N 0.612 116.130 115.700 -0.303 0.000 2.607 1270 S HA -0.011 4.459 4.470 0.001 0.000 0.224 1270 S C 1.692 176.283 174.600 -0.016 0.000 0.969 1270 S CA 0.668 58.786 58.200 -0.136 0.000 0.927 1270 S CB 0.181 63.328 63.200 -0.087 0.000 0.772 1270 S HN 0.091 nan 8.310 nan 0.000 0.533 1271 K N 0.375 120.806 120.400 0.052 0.000 2.334 1271 K HA 0.222 4.543 4.320 0.001 0.000 0.195 1271 K C -0.274 176.512 176.600 0.311 0.000 1.045 1271 K CA -0.399 55.989 56.287 0.168 0.000 1.004 1271 K CB -0.095 32.516 32.500 0.184 0.000 0.837 1271 K HN 0.338 nan 8.250 nan 0.000 0.510 1272 W N 1.960 123.289 121.300 0.049 0.000 2.293 1272 W HA 0.079 4.739 4.660 0.000 0.000 0.342 1272 W C 0.163 176.736 176.519 0.090 0.000 1.274 1272 W CA -0.358 57.034 57.345 0.078 0.000 1.290 1272 W CB -0.351 29.148 29.460 0.066 0.000 1.176 1272 W HN -0.044 nan 8.180 nan 0.000 0.570 1273 L N 2.788 124.213 121.223 0.336 0.000 2.334 1273 L HA 0.520 4.860 4.340 0.001 0.000 0.270 1273 L C 1.055 178.119 176.870 0.323 0.000 1.018 1273 L CA -0.967 54.026 54.840 0.255 0.000 0.811 1273 L CB 1.267 43.424 42.059 0.164 0.000 1.271 1273 L HN 0.444 nan 8.230 nan 0.000 0.443 1274 T N -2.121 112.582 114.554 0.247 0.000 2.849 1274 T HA 0.312 4.663 4.350 0.001 0.000 0.276 1274 T C 1.200 176.064 174.700 0.274 0.000 0.971 1274 T CA -0.068 62.186 62.100 0.257 0.000 0.949 1274 T CB 1.364 70.320 68.868 0.147 0.000 1.093 1274 T HN 0.660 nan 8.240 nan 0.000 0.545 1275 G N 0.950 109.883 108.800 0.222 0.000 2.587 1275 G HA2 -0.099 3.862 3.960 0.001 0.000 0.217 1275 G HA3 -0.099 3.862 3.960 0.001 0.000 0.217 1275 G C -0.875 174.003 174.900 -0.036 0.000 1.240 1275 G CA 0.850 45.978 45.100 0.047 0.000 0.794 1275 G HN 0.653 nan 8.290 nan 0.000 0.580 1276 P HA -0.091 nan 4.420 nan 0.000 0.217 1276 P C 1.959 179.315 177.300 0.093 0.000 1.148 1276 P CA 1.343 64.418 63.100 -0.041 0.000 0.828 1276 P CB -0.036 31.576 31.700 -0.146 0.000 0.783 1277 Q N -1.259 118.586 119.800 0.074 0.000 2.046 1277 Q HA -0.134 4.206 4.340 0.001 0.000 0.200 1277 Q C 2.054 178.058 176.000 0.005 0.000 0.975 1277 Q CA 0.976 56.820 55.803 0.068 0.000 0.836 1277 Q CB -0.822 27.964 28.738 0.080 0.000 0.896 1277 Q HN 0.177 nan 8.270 nan 0.000 0.428 1278 L N 0.856 122.067 121.223 -0.020 0.000 2.083 1278 L HA -0.089 4.251 4.340 0.001 0.000 0.209 1278 L C 2.139 178.718 176.870 -0.485 0.000 1.083 1278 L CA 1.937 56.605 54.840 -0.287 0.000 0.752 1278 L CB -0.853 41.010 42.059 -0.326 0.000 0.899 1278 L HN 0.118 nan 8.230 nan 0.000 0.433 1279 A N -0.773 122.016 122.820 -0.051 0.000 1.908 1279 A HA -0.248 4.072 4.320 0.001 0.000 0.218 1279 A C 2.046 179.631 177.584 0.002 0.000 1.181 1279 A CA 1.974 54.029 52.037 0.030 0.000 0.627 1279 A CB -0.856 18.427 19.000 0.472 0.000 0.818 1279 A HN 0.557 nan 8.150 nan 0.000 0.445 1280 D N -0.505 119.986 120.400 0.152 0.000 2.149 1280 D HA -0.148 4.492 4.640 0.001 0.000 0.198 1280 D C 1.842 178.199 176.300 0.096 0.000 0.990 1280 D CA 1.453 55.597 54.000 0.241 0.000 0.839 1280 D CB -0.302 40.600 40.800 0.170 0.000 0.948 1280 D HN 0.364 nan 8.370 nan 0.000 0.460 1281 L N 0.446 121.609 121.223 -0.100 0.000 2.046 1281 L HA -0.206 4.134 4.340 0.001 0.000 0.208 1281 L C 2.051 178.876 176.870 -0.075 0.000 1.077 1281 L CA 1.550 56.306 54.840 -0.140 0.000 0.747 1281 L CB -0.770 41.105 42.059 -0.305 0.000 0.896 1281 L HN -0.022 nan 8.230 nan 0.000 0.432 1282 Y N -0.602 119.629 120.300 -0.115 0.000 2.133 1282 Y HA -0.207 4.343 4.550 0.000 0.000 0.287 1282 Y C 2.898 178.825 175.900 0.044 0.000 1.134 1282 Y CA 1.453 59.474 58.100 -0.132 0.000 1.133 1282 Y CB -1.275 36.946 38.460 -0.399 0.000 0.987 1282 Y HN 0.311 nan 8.280 nan 0.000 0.502 1283 H N -0.998 118.286 119.070 0.357 0.000 2.357 1283 H HA -0.197 4.360 4.556 0.001 0.000 0.296 1283 H C 2.534 177.963 175.328 0.168 0.000 1.108 1283 H CA 1.667 57.870 56.048 0.259 0.000 1.273 1283 H CB -0.745 29.146 29.762 0.215 0.000 1.367 1283 H HN 0.287 nan 8.280 nan 0.000 0.498 1284 S N 0.206 116.063 115.700 0.261 0.000 2.353 1284 S HA -0.106 4.365 4.470 0.001 0.000 0.222 1284 S C 2.411 177.111 174.600 0.167 0.000 1.035 1284 S CA 1.043 59.344 58.200 0.167 0.000 1.025 1284 S CB -0.375 62.900 63.200 0.126 0.000 0.902 1284 S HN 0.286 nan 8.310 nan 0.000 0.440 1285 L N 0.545 121.903 121.223 0.224 0.000 2.083 1285 L HA -0.107 4.233 4.340 0.001 0.000 0.209 1285 L C 2.704 179.760 176.870 0.310 0.000 1.083 1285 L CA 1.461 56.501 54.840 0.333 0.000 0.752 1285 L CB -0.478 41.779 42.059 0.329 0.000 0.899 1285 L HN 0.399 nan 8.230 nan 0.000 0.433 1286 M N -0.868 118.876 119.600 0.240 0.000 2.358 1286 M HA -0.185 4.295 4.480 0.001 0.000 0.264 1286 M C 2.093 178.478 176.300 0.141 0.000 1.064 1286 M CA 1.560 56.978 55.300 0.197 0.000 1.093 1286 M CB -0.146 32.577 32.600 0.205 0.000 1.401 1286 M HN 0.122 nan 8.290 nan 0.000 0.440 1287 K N 0.220 120.687 120.400 0.110 0.000 2.098 1287 K HA -0.054 4.266 4.320 0.001 0.000 0.203 1287 K C 1.949 178.533 176.600 -0.027 0.000 1.051 1287 K CA 0.969 57.283 56.287 0.045 0.000 0.957 1287 K CB 0.018 32.541 32.500 0.039 0.000 0.738 1287 K HN 0.420 nan 8.250 nan 0.000 0.447 1288 R N -0.536 119.892 120.500 -0.120 0.000 2.280 1288 R HA 0.069 4.410 4.340 0.001 0.000 0.195 1288 R C -0.194 175.819 176.300 -0.479 0.000 0.935 1288 R CA 0.316 56.211 56.100 -0.342 0.000 1.033 1288 R CB 0.074 30.059 30.300 -0.525 0.000 0.964 1288 R HN -0.015 nan 8.270 nan 0.000 0.489 1289 Y N 1.023 121.361 120.300 0.065 0.000 2.485 1289 Y HA 0.393 4.944 4.550 0.001 0.000 0.345 1289 Y C -2.137 173.799 175.900 0.060 0.000 0.998 1289 Y CA -3.464 54.674 58.100 0.064 0.000 1.059 1289 Y CB 1.733 40.241 38.460 0.080 0.000 1.234 1289 Y HN -0.111 nan 8.280 nan 0.000 0.461 1290 P HA 0.164 nan 4.420 nan 0.000 0.226 1290 P C -0.530 176.845 177.300 0.126 0.000 1.783 1290 P CA 0.535 63.717 63.100 0.136 0.000 0.980 1290 P CB -0.476 31.287 31.700 0.104 0.000 1.967 1291 I N 1.734 122.390 120.570 0.145 0.000 2.352 1291 I HA 0.041 4.212 4.170 0.001 0.000 0.290 1291 I C 1.648 177.832 176.117 0.111 0.000 1.036 1291 I CA -0.433 60.938 61.300 0.118 0.000 1.336 1291 I CB 1.761 39.836 38.000 0.124 0.000 1.407 1291 I HN -0.022 nan 8.210 nan 0.000 0.497 1292 V N 1.562 121.550 119.914 0.123 0.000 3.528 1292 V HA 0.336 4.456 4.120 0.001 0.000 0.294 1292 V C 0.358 176.581 176.094 0.215 0.000 1.404 1292 V CA -0.034 62.376 62.300 0.183 0.000 1.065 1292 V CB 0.337 32.312 31.823 0.254 0.000 0.904 1292 V HN 0.652 nan 8.190 nan 0.000 0.435 1293 S N 0.050 115.837 115.700 0.145 0.000 2.562 1293 S HA 0.733 5.204 4.470 0.001 0.000 0.274 1293 S C -1.545 173.046 174.600 -0.015 0.000 1.160 1293 S CA -0.460 57.792 58.200 0.088 0.000 0.933 1293 S CB 2.022 65.278 63.200 0.095 0.000 1.100 1293 S HN 0.562 nan 8.310 nan 0.000 0.468 1294 I N 3.528 124.055 120.570 -0.072 0.000 2.499 1294 I HA 0.570 4.740 4.170 0.001 0.000 0.288 1294 I C -0.688 175.309 176.117 -0.200 0.000 1.048 1294 I CA -0.188 60.995 61.300 -0.196 0.000 1.062 1294 I CB 1.530 39.353 38.000 -0.294 0.000 1.238 1294 I HN 0.747 nan 8.210 nan 0.000 0.426 1295 E N 5.944 126.007 120.200 -0.228 0.000 2.179 1295 E HA 0.229 4.579 4.350 0.001 0.000 0.275 1295 E C -0.786 175.690 176.600 -0.207 0.000 0.945 1295 E CA -0.446 55.863 56.400 -0.152 0.000 0.792 1295 E CB 0.952 30.583 29.700 -0.115 0.000 1.125 1295 E HN 0.642 nan 8.360 nan 0.000 0.397 1296 D N 3.996 124.368 120.400 -0.046 0.000 2.697 1296 D HA -0.150 4.490 4.640 0.001 0.000 0.235 1296 D C -1.780 174.190 176.300 -0.550 0.000 1.167 1296 D CA 0.483 54.434 54.000 -0.081 0.000 0.656 1296 D CB -0.430 40.351 40.800 -0.032 0.000 1.025 1296 D HN 0.467 nan 8.370 nan 0.000 0.419 1297 P HA -0.114 nan 4.420 nan 0.000 0.222 1297 P C 0.318 176.637 177.300 -1.635 0.000 1.147 1297 P CA 0.968 63.243 63.100 -1.376 0.000 0.790 1297 P CB 0.257 30.941 31.700 -1.693 0.000 0.780 1298 F N -0.641 118.661 119.950 -1.079 0.000 2.620 1298 F HA 0.596 5.123 4.527 0.000 0.000 0.320 1298 F C 0.588 176.224 175.800 -0.274 0.000 1.069 1298 F CA -1.641 55.881 58.000 -0.796 0.000 0.953 1298 F CB 0.400 38.817 39.000 -0.972 0.000 1.322 1298 F HN -0.217 nan 8.300 nan 0.000 0.479 1299 A N 0.611 123.445 122.820 0.025 0.000 2.577 1299 A HA 0.061 4.381 4.320 0.001 0.000 0.233 1299 A C 1.356 178.947 177.584 0.011 0.000 1.076 1299 A CA 0.370 52.279 52.037 -0.214 0.000 0.767 1299 A CB -0.171 18.222 19.000 -1.012 0.000 1.017 1299 A HN 0.941 nan 8.150 nan 0.000 0.511 1300 E N -0.114 120.035 120.200 -0.085 0.000 2.409 1300 E HA -0.138 4.213 4.350 0.001 0.000 0.198 1300 E C -0.440 175.986 176.600 -0.291 0.000 1.024 1300 E CA 1.408 57.733 56.400 -0.125 0.000 0.861 1300 E CB 0.025 29.701 29.700 -0.040 0.000 0.788 1300 E HN 0.649 nan 8.360 nan 0.000 0.521 1301 D N 0.508 120.754 120.400 -0.257 0.000 2.563 1301 D HA 0.007 4.648 4.640 0.001 0.000 0.256 1301 D C -0.510 175.667 176.300 -0.204 0.000 1.400 1301 D CA -0.066 53.764 54.000 -0.283 0.000 0.800 1301 D CB 0.418 41.285 40.800 0.113 0.000 1.145 1301 D HN 0.017 nan 8.370 nan 0.000 0.501 1302 D N -0.025 120.256 120.400 -0.199 0.000 3.057 1302 D HA 0.038 4.678 4.640 0.001 0.000 0.246 1302 D C 1.072 177.465 176.300 0.155 0.000 1.238 1302 D CA -0.517 53.480 54.000 -0.006 0.000 0.949 1302 D CB -0.334 40.383 40.800 -0.139 0.000 1.086 1302 D HN 0.076 nan 8.370 nan 0.000 0.487 1303 W N 0.819 122.223 121.300 0.174 0.000 2.290 1303 W HA -0.204 4.457 4.660 0.000 0.000 0.311 1303 W C 2.080 178.719 176.519 0.199 0.000 1.238 1303 W CA 0.972 58.412 57.345 0.158 0.000 1.255 1303 W CB -0.312 29.176 29.460 0.047 0.000 1.145 1303 W HN 0.287 nan 8.180 nan 0.000 0.506 1304 E N -0.053 120.355 120.200 0.348 0.000 2.085 1304 E HA -0.243 4.108 4.350 0.001 0.000 0.194 1304 E C 2.359 179.044 176.600 0.142 0.000 0.994 1304 E CA 1.383 57.919 56.400 0.227 0.000 0.801 1304 E CB -0.597 29.196 29.700 0.155 0.000 0.743 1304 E HN 0.308 nan 8.360 nan 0.000 0.453 1305 A N 0.758 123.578 122.820 -0.000 0.000 1.908 1305 A HA -0.189 4.131 4.320 0.001 0.000 0.218 1305 A C 1.733 179.065 177.584 -0.421 0.000 1.181 1305 A CA 1.343 53.103 52.037 -0.461 0.000 0.627 1305 A CB -0.935 17.594 19.000 -0.786 0.000 0.818 1305 A HN 0.319 nan 8.150 nan 0.000 0.445 1306 W N 0.492 121.735 121.300 -0.095 0.000 2.353 1306 W HA -0.113 4.547 4.660 0.000 0.000 0.319 1306 W C 2.924 179.607 176.519 0.273 0.000 1.207 1306 W CA 1.741 59.201 57.345 0.191 0.000 1.291 1306 W CB -0.906 28.645 29.460 0.151 0.000 1.159 1306 W HN 0.262 nan 8.180 nan 0.000 0.478 1307 S N -0.964 115.031 115.700 0.490 0.000 2.368 1307 S HA -0.350 4.120 4.470 0.001 0.000 0.226 1307 S C 1.736 176.558 174.600 0.371 0.000 1.044 1307 S CA 1.803 60.243 58.200 0.401 0.000 1.062 1307 S CB -1.129 62.261 63.200 0.317 0.000 0.931 1307 S HN 0.380 nan 8.310 nan 0.000 0.440 1308 H N 0.296 119.500 119.070 0.223 0.000 2.290 1308 H HA -0.153 4.404 4.556 0.001 0.000 0.298 1308 H C 2.136 177.614 175.328 0.250 0.000 1.087 1308 H CA 2.012 58.169 56.048 0.181 0.000 1.291 1308 H CB -0.551 29.271 29.762 0.101 0.000 1.369 1308 H HN 0.434 nan 8.280 nan 0.000 0.492 1309 F N 0.897 120.981 119.950 0.223 0.000 2.134 1309 F HA -0.195 4.333 4.527 0.001 0.000 0.299 1309 F C 2.428 178.368 175.800 0.233 0.000 1.097 1309 F CA 1.355 59.508 58.000 0.255 0.000 1.264 1309 F CB -1.087 38.151 39.000 0.397 0.000 1.001 1309 F HN 0.133 nan 8.300 nan 0.000 0.479 1310 F N 1.654 121.623 119.950 0.032 0.000 2.154 1310 F HA -0.213 4.315 4.527 0.001 0.000 0.301 1310 F C 2.212 177.930 175.800 -0.137 0.000 1.087 1310 F CA 1.843 59.792 58.000 -0.085 0.000 1.274 1310 F CB -0.681 38.378 39.000 0.098 0.000 1.009 1310 F HN -0.062 nan 8.300 nan 0.000 0.485 1311 K N -0.984 119.340 120.400 -0.127 0.000 2.160 1311 K HA -0.171 4.149 4.320 0.001 0.000 0.206 1311 K C 1.581 178.004 176.600 -0.295 0.000 1.047 1311 K CA 1.915 58.070 56.287 -0.220 0.000 0.930 1311 K CB -0.460 31.954 32.500 -0.144 0.000 0.720 1311 K HN 0.472 nan 8.250 nan 0.000 0.450 1312 T N -3.201 111.177 114.554 -0.294 0.000 3.040 1312 T HA 0.354 4.705 4.350 0.001 0.000 0.266 1312 T C 0.297 174.846 174.700 -0.251 0.000 1.005 1312 T CA -0.456 61.494 62.100 -0.251 0.000 0.906 1312 T CB 0.661 69.394 68.868 -0.226 0.000 1.082 1312 T HN 0.057 nan 8.240 nan 0.000 0.531 1313 A N 1.145 123.687 122.820 -0.464 0.000 2.350 1313 A HA 0.663 4.983 4.320 0.001 0.000 0.293 1313 A C 1.410 178.794 177.584 -0.333 0.000 1.231 1313 A CA -0.218 51.517 52.037 -0.502 0.000 0.883 1313 A CB -0.119 18.335 19.000 -0.911 0.000 1.133 1313 A HN 0.481 nan 8.150 nan 0.000 0.533 1314 G N 2.244 110.931 108.800 -0.189 0.000 3.088 1314 G HA2 0.366 4.326 3.960 0.001 0.000 0.212 1314 G HA3 0.366 4.326 3.960 0.001 0.000 0.212 1314 G C 0.525 175.352 174.900 -0.122 0.000 1.173 1314 G CA 0.596 45.601 45.100 -0.159 0.000 0.779 1314 G HN 0.890 nan 8.290 nan 0.000 0.540 1315 I N -4.051 116.458 120.570 -0.101 0.000 3.133 1315 I HA 0.567 4.737 4.170 0.001 0.000 0.311 1315 I C -0.090 175.979 176.117 -0.080 0.000 1.072 1315 I CA -1.493 59.769 61.300 -0.062 0.000 1.015 1315 I CB 1.498 39.508 38.000 0.018 0.000 1.233 1315 I HN -0.095 nan 8.210 nan 0.000 0.473 1316 Q N 2.338 122.092 119.800 -0.076 0.000 2.274 1316 Q HA 0.237 4.577 4.340 0.001 0.000 0.280 1316 Q C -1.323 174.681 176.000 0.007 0.000 1.047 1316 Q CA -0.120 55.636 55.803 -0.079 0.000 0.907 1316 Q CB 0.721 29.475 28.738 0.027 0.000 1.171 1316 Q HN 0.523 nan 8.270 nan 0.000 0.381 1317 I N 5.617 126.198 120.570 0.018 0.000 2.355 1317 I HA 0.240 4.411 4.170 0.001 0.000 0.288 1317 I C -0.476 175.626 176.117 -0.024 0.000 0.999 1317 I CA -0.698 60.638 61.300 0.061 0.000 1.163 1317 I CB 1.161 39.286 38.000 0.210 0.000 1.316 1317 I HN 0.429 nan 8.210 nan 0.000 0.454 1318 V N 5.691 125.604 119.914 -0.001 0.000 2.407 1318 V HA 0.576 4.696 4.120 0.001 0.000 0.278 1318 V C 0.715 176.859 176.094 0.084 0.000 1.037 1318 V CA -0.704 61.577 62.300 -0.032 0.000 0.900 1318 V CB 1.380 33.160 31.823 -0.071 0.000 0.983 1318 V HN 0.842 nan 8.190 nan 0.000 0.459 1319 A N 3.127 125.929 122.820 -0.030 0.000 2.289 1319 A HA 0.601 4.922 4.320 0.001 0.000 0.298 1319 A C 0.231 177.800 177.584 -0.026 0.000 1.208 1319 A CA -0.203 51.782 52.037 -0.086 0.000 0.845 1319 A CB 0.863 19.734 19.000 -0.215 0.000 1.125 1319 A HN 0.889 nan 8.150 nan 0.000 0.517 1320 D N 0.533 120.927 120.400 -0.010 0.000 3.074 1320 D HA 0.009 4.649 4.640 0.001 0.000 0.227 1320 D C 0.636 176.922 176.300 -0.024 0.000 1.553 1320 D CA 0.431 54.427 54.000 -0.006 0.000 1.347 1320 D CB 0.131 40.936 40.800 0.008 0.000 1.021 1320 D HN 0.371 nan 8.370 nan 0.000 0.260 1321 D N 0.358 120.748 120.400 -0.017 0.000 2.264 1321 D HA -0.076 4.565 4.640 0.001 0.000 0.208 1321 D C 2.044 178.311 176.300 -0.055 0.000 0.966 1321 D CA 0.245 54.233 54.000 -0.021 0.000 0.864 1321 D CB 0.098 40.885 40.800 -0.022 0.000 0.933 1321 D HN 0.170 nan 8.370 nan 0.000 0.499 1322 L N 0.802 121.924 121.223 -0.168 0.000 2.083 1322 L HA -0.128 4.212 4.340 0.001 0.000 0.209 1322 L C 2.089 178.793 176.870 -0.277 0.000 1.083 1322 L CA 1.933 56.523 54.840 -0.417 0.000 0.752 1322 L CB -0.558 40.956 42.059 -0.909 0.000 0.899 1322 L HN 0.069 nan 8.230 nan 0.000 0.433 1323 T N -4.430 110.035 114.554 -0.149 0.000 2.969 1323 T HA 0.133 4.483 4.350 0.001 0.000 0.250 1323 T C 0.910 175.601 174.700 -0.016 0.000 1.021 1323 T CA 0.404 62.475 62.100 -0.049 0.000 1.003 1323 T CB -0.544 68.320 68.868 -0.007 0.000 1.040 1323 T HN 0.618 nan 8.240 nan 0.000 0.492 1324 V N 0.874 120.783 119.914 -0.009 0.000 5.257 1324 V HA -0.261 3.860 4.120 0.001 0.000 0.265 1324 V C 0.424 176.520 176.094 0.004 0.000 0.646 1324 V CA 0.835 63.141 62.300 0.010 0.000 0.650 1324 V CB -3.540 28.308 31.823 0.042 0.000 0.424 1324 V HN 0.767 nan 8.190 nan 0.000 0.862 1325 T N -1.179 113.373 114.554 -0.003 0.000 3.897 1325 T HA -0.277 4.073 4.350 0.001 0.000 0.353 1325 T C 0.279 174.967 174.700 -0.019 0.000 0.758 1325 T CA 1.580 63.675 62.100 -0.010 0.000 1.883 1325 T CB -1.575 67.292 68.868 -0.001 0.000 1.849 1325 T HN 1.302 nan 8.240 nan 0.000 0.791 1326 N N 0.737 119.422 118.700 -0.025 0.000 2.476 1326 N HA 0.286 5.027 4.740 0.001 0.000 0.257 1326 N C -1.774 173.701 175.510 -0.059 0.000 0.970 1326 N CA -2.320 50.710 53.050 -0.033 0.000 0.938 1326 N CB 2.080 40.554 38.487 -0.021 0.000 1.144 1326 N HN -0.078 nan 8.380 nan 0.000 0.500 1327 P HA -0.187 nan 4.420 nan 0.000 0.218 1327 P C 0.788 178.024 177.300 -0.106 0.000 1.154 1327 P CA 1.855 64.897 63.100 -0.095 0.000 0.872 1327 P CB 0.436 32.090 31.700 -0.077 0.000 0.790 1328 K N -0.921 119.428 120.400 -0.085 0.000 2.057 1328 K HA -0.100 4.220 4.320 0.001 0.000 0.207 1328 K C 2.226 178.766 176.600 -0.100 0.000 1.049 1328 K CA 1.084 57.315 56.287 -0.093 0.000 0.931 1328 K CB -0.252 32.202 32.500 -0.076 0.000 0.714 1328 K HN 0.035 nan 8.250 nan 0.000 0.440 1329 R N 0.861 121.319 120.500 -0.070 0.000 2.075 1329 R HA -0.035 4.305 4.340 0.001 0.000 0.232 1329 R C 2.283 178.576 176.300 -0.012 0.000 1.126 1329 R CA 1.144 57.234 56.100 -0.016 0.000 0.963 1329 R CB -0.590 29.710 30.300 -0.000 0.000 0.858 1329 R HN 0.289 nan 8.270 nan 0.000 0.435 1330 I N 0.822 121.335 120.570 -0.095 0.000 2.315 1330 I HA -0.215 3.955 4.170 0.001 0.000 0.248 1330 I C 2.567 178.509 176.117 -0.291 0.000 1.117 1330 I CA 1.100 62.273 61.300 -0.211 0.000 1.404 1330 I CB -0.465 37.359 38.000 -0.293 0.000 1.071 1330 I HN 0.074 nan 8.210 nan 0.000 0.419 1331 A N 0.657 123.338 122.820 -0.231 0.000 1.883 1331 A HA -0.227 4.093 4.320 0.001 0.000 0.217 1331 A C 2.399 179.853 177.584 -0.217 0.000 1.186 1331 A CA 2.589 54.489 52.037 -0.228 0.000 0.624 1331 A CB -1.154 17.739 19.000 -0.178 0.000 0.822 1331 A HN 0.377 nan 8.150 nan 0.000 0.444 1332 T N 0.271 114.689 114.554 -0.227 0.000 2.746 1332 T HA -0.018 4.332 4.350 0.001 0.000 0.267 1332 T C 2.166 176.715 174.700 -0.250 0.000 1.039 1332 T CA 1.546 63.436 62.100 -0.350 0.000 1.142 1332 T CB -0.429 68.062 68.868 -0.628 0.000 0.866 1332 T HN 0.610 nan 8.240 nan 0.000 0.444 1333 A N 1.342 124.158 122.820 -0.008 0.000 1.969 1333 A HA -0.017 4.304 4.320 0.001 0.000 0.218 1333 A C 2.194 179.874 177.584 0.160 0.000 1.169 1333 A CA 0.924 53.110 52.037 0.248 0.000 0.635 1333 A CB -0.541 18.682 19.000 0.371 0.000 0.810 1333 A HN 0.387 nan 8.150 nan 0.000 0.445 1334 I N -0.183 120.344 120.570 -0.071 0.000 2.163 1334 I HA -0.162 4.008 4.170 0.001 0.000 0.240 1334 I C 2.485 178.600 176.117 -0.003 0.000 1.081 1334 I CA 1.400 62.651 61.300 -0.082 0.000 1.353 1334 I CB -1.409 36.421 38.000 -0.283 0.000 1.054 1334 I HN 0.397 nan 8.210 nan 0.000 0.407 1335 E N 1.606 121.768 120.200 -0.063 0.000 2.118 1335 E HA -0.213 4.137 4.350 0.001 0.000 0.195 1335 E C 1.816 178.412 176.600 -0.006 0.000 0.992 1335 E CA 1.227 57.599 56.400 -0.047 0.000 0.804 1335 E CB 0.099 29.739 29.700 -0.100 0.000 0.741 1335 E HN 0.474 nan 8.360 nan 0.000 0.458 1336 K N 0.280 120.680 120.400 0.001 0.000 2.444 1336 K HA 0.050 4.370 4.320 0.001 0.000 0.193 1336 K C 0.024 176.708 176.600 0.139 0.000 1.024 1336 K CA -0.016 56.310 56.287 0.065 0.000 1.077 1336 K CB 0.241 32.782 32.500 0.069 0.000 0.833 1336 K HN -0.000 nan 8.250 nan 0.000 0.517 1337 K N -0.174 120.299 120.400 0.121 0.000 3.278 1337 K HA -0.245 4.076 4.320 0.001 0.000 0.270 1337 K C 0.602 177.163 176.600 -0.064 0.000 0.955 1337 K CA 0.219 56.545 56.287 0.066 0.000 0.723 1337 K CB -1.513 31.123 32.500 0.227 0.000 1.382 1337 K HN 0.334 nan 8.250 nan 0.000 0.461 1338 A N -0.030 122.807 122.820 0.027 0.000 2.016 1338 A HA 0.414 4.734 4.320 0.001 0.000 0.217 1338 A C 0.927 178.482 177.584 -0.048 0.000 1.162 1338 A CA 1.467 53.583 52.037 0.131 0.000 0.662 1338 A CB 0.177 19.265 19.000 0.146 0.000 0.812 1338 A HN 0.790 nan 8.150 nan 0.000 0.450 1339 A N -0.950 121.560 122.820 -0.518 0.000 2.483 1339 A HA 0.534 4.854 4.320 0.001 0.000 0.306 1339 A C -1.504 175.310 177.584 -1.284 0.000 1.137 1339 A CA 0.220 51.802 52.037 -0.758 0.000 0.626 1339 A CB 0.044 18.834 19.000 -0.350 0.000 1.352 1339 A HN 0.345 nan 8.150 nan 0.000 0.508 1340 D N -1.359 118.346 120.400 -1.159 0.000 2.712 1340 D HA 0.569 5.209 4.640 0.001 0.000 0.300 1340 D C -0.338 175.398 176.300 -0.940 0.000 1.521 1340 D CA 0.697 53.890 54.000 -1.345 0.000 0.790 1340 D CB 0.483 41.134 40.800 -0.248 0.000 1.155 1340 D HN 1.451 nan 8.370 nan 0.000 0.456 1341 A N 0.158 122.366 122.820 -1.021 0.000 2.540 1341 A HA 0.604 4.925 4.320 0.001 0.000 0.297 1341 A C -2.041 175.431 177.584 -0.186 0.000 1.056 1341 A CA -0.942 50.893 52.037 -0.335 0.000 0.700 1341 A CB 1.444 20.365 19.000 -0.131 0.000 1.280 1341 A HN 0.223 nan 8.150 nan 0.000 0.398 1342 L N 2.101 123.360 121.223 0.060 0.000 2.322 1342 L HA 0.789 5.129 4.340 0.001 0.000 0.281 1342 L C -1.124 175.748 176.870 0.003 0.000 1.014 1342 L CA -0.689 54.214 54.840 0.105 0.000 0.815 1342 L CB 1.462 43.611 42.059 0.150 0.000 1.247 1342 L HN 0.683 nan 8.230 nan 0.000 0.421 1343 L N 5.838 127.061 121.223 -0.001 0.000 2.283 1343 L HA 0.409 4.749 4.340 0.001 0.000 0.287 1343 L C -0.723 176.149 176.870 0.004 0.000 1.073 1343 L CA 0.188 55.021 54.840 -0.012 0.000 0.822 1343 L CB 0.717 42.769 42.059 -0.011 0.000 1.186 1343 L HN 0.725 nan 8.230 nan 0.000 0.436 1344 L N 6.249 127.476 121.223 0.006 0.000 2.261 1344 L HA 0.370 4.710 4.340 0.001 0.000 0.289 1344 L C -0.492 176.403 176.870 0.042 0.000 1.059 1344 L CA -0.199 54.651 54.840 0.017 0.000 0.816 1344 L CB -0.030 42.036 42.059 0.013 0.000 1.191 1344 L HN 0.623 nan 8.230 nan 0.000 0.431 1345 K N 4.542 124.963 120.400 0.035 0.000 2.521 1345 K HA 0.157 4.477 4.320 0.001 0.000 0.248 1345 K C 1.022 177.640 176.600 0.030 0.000 0.978 1345 K CA -0.396 55.916 56.287 0.042 0.000 0.947 1345 K CB 1.790 34.308 32.500 0.030 0.000 1.165 1345 K HN 0.599 nan 8.250 nan 0.000 0.445 1346 V N 0.321 120.259 119.914 0.041 0.000 2.370 1346 V HA -0.347 3.774 4.120 0.001 0.000 0.252 1346 V C 1.700 177.786 176.094 -0.013 0.000 1.068 1346 V CA 2.166 64.474 62.300 0.014 0.000 1.061 1346 V CB -0.563 31.259 31.823 -0.002 0.000 0.656 1346 V HN 0.881 nan 8.190 nan 0.000 0.455 1347 N N 0.256 118.947 118.700 -0.014 0.000 2.521 1347 N HA -0.134 4.606 4.740 0.001 0.000 0.188 1347 N C 1.685 177.184 175.510 -0.018 0.000 1.146 1347 N CA 1.252 54.286 53.050 -0.026 0.000 0.893 1347 N CB -0.208 38.260 38.487 -0.032 0.000 0.975 1347 N HN 0.744 nan 8.380 nan 0.000 0.451 1348 Q N -0.372 119.424 119.800 -0.007 0.000 2.269 1348 Q HA 0.079 4.419 4.340 0.001 0.000 0.201 1348 Q C 1.299 177.298 176.000 -0.002 0.000 0.946 1348 Q CA 0.650 56.452 55.803 -0.003 0.000 0.877 1348 Q CB 0.275 29.016 28.738 0.004 0.000 0.963 1348 Q HN 0.331 nan 8.270 nan 0.000 0.472 1349 I N -1.696 118.870 120.570 -0.005 0.000 3.616 1349 I HA 0.187 4.357 4.170 0.001 0.000 0.296 1349 I C 1.186 177.296 176.117 -0.011 0.000 1.226 1349 I CA 1.403 62.700 61.300 -0.006 0.000 1.394 1349 I CB 0.798 38.794 38.000 -0.007 0.000 1.171 1349 I HN 0.215 nan 8.210 nan 0.000 0.442 1350 G N 0.137 108.926 108.800 -0.018 0.000 2.259 1350 G HA2 -0.196 3.764 3.960 0.001 0.000 0.217 1350 G HA3 -0.196 3.764 3.960 0.001 0.000 0.217 1350 G C 0.574 175.458 174.900 -0.027 0.000 1.001 1350 G CA 0.333 45.418 45.100 -0.025 0.000 0.627 1350 G HN 0.747 nan 8.290 nan 0.000 0.501 1351 T N -2.219 112.323 114.554 -0.019 0.000 2.883 1351 T HA 0.670 5.020 4.350 0.001 0.000 0.296 1351 T C 0.922 175.617 174.700 -0.010 0.000 1.117 1351 T CA 0.096 62.187 62.100 -0.014 0.000 1.006 1351 T CB 2.009 70.884 68.868 0.010 0.000 1.191 1351 T HN 0.985 nan 8.240 nan 0.000 0.508 1352 L N 1.651 122.870 121.223 -0.006 0.000 2.072 1352 L HA 0.145 4.485 4.340 0.001 0.000 0.205 1352 L C 2.546 179.444 176.870 0.046 0.000 1.079 1352 L CA 1.921 56.777 54.840 0.028 0.000 0.752 1352 L CB -1.242 40.845 42.059 0.047 0.000 0.906 1352 L HN 0.838 nan 8.230 nan 0.000 0.436 1353 S N -0.199 115.524 115.700 0.039 0.000 2.359 1353 S HA -0.218 4.252 4.470 0.001 0.000 0.224 1353 S C 1.786 176.398 174.600 0.020 0.000 1.035 1353 S CA 1.724 59.943 58.200 0.033 0.000 1.018 1353 S CB -0.336 62.883 63.200 0.033 0.000 0.876 1353 S HN 0.564 nan 8.310 nan 0.000 0.448 1354 E N 0.821 121.029 120.200 0.013 0.000 2.110 1354 E HA -0.069 4.281 4.350 0.001 0.000 0.193 1354 E C 2.271 178.872 176.600 0.000 0.000 0.988 1354 E CA 1.148 57.549 56.400 0.001 0.000 0.804 1354 E CB -0.119 29.579 29.700 -0.004 0.000 0.745 1354 E HN 0.323 nan 8.360 nan 0.000 0.458 1355 S N 0.777 116.485 115.700 0.013 0.000 2.368 1355 S HA -0.104 4.366 4.470 0.001 0.000 0.224 1355 S C 2.019 176.634 174.600 0.026 0.000 1.029 1355 S CA 0.750 58.963 58.200 0.021 0.000 0.988 1355 S CB -0.117 63.109 63.200 0.045 0.000 0.838 1355 S HN 0.205 nan 8.310 nan 0.000 0.462 1356 I N 1.237 121.832 120.570 0.041 0.000 2.286 1356 I HA -0.173 3.998 4.170 0.001 0.000 0.248 1356 I C 2.462 178.594 176.117 0.025 0.000 1.115 1356 I CA 1.068 62.397 61.300 0.048 0.000 1.392 1356 I CB -0.209 37.822 38.000 0.051 0.000 1.065 1356 I HN 0.172 nan 8.210 nan 0.000 0.418 1357 K N 1.771 122.174 120.400 0.007 0.000 2.097 1357 K HA -0.096 4.225 4.320 0.001 0.000 0.206 1357 K C 2.021 178.597 176.600 -0.041 0.000 1.049 1357 K CA 1.666 57.946 56.287 -0.013 0.000 0.933 1357 K CB -0.369 32.120 32.500 -0.019 0.000 0.717 1357 K HN 0.256 nan 8.250 nan 0.000 0.442 1358 A N 0.391 123.182 122.820 -0.048 0.000 1.933 1358 A HA -0.029 4.292 4.320 0.001 0.000 0.218 1358 A C 2.344 179.854 177.584 -0.124 0.000 1.175 1358 A CA 1.942 53.929 52.037 -0.084 0.000 0.628 1358 A CB -0.927 18.036 19.000 -0.061 0.000 0.814 1358 A HN 0.418 nan 8.150 nan 0.000 0.444 1359 A N -0.706 122.052 122.820 -0.103 0.000 1.897 1359 A HA -0.150 4.170 4.320 0.001 0.000 0.215 1359 A C 2.109 179.601 177.584 -0.152 0.000 1.181 1359 A CA 1.493 53.404 52.037 -0.210 0.000 0.620 1359 A CB -0.537 18.421 19.000 -0.071 0.000 0.821 1359 A HN 0.626 nan 8.150 nan 0.000 0.443 1360 Q N -0.262 119.551 119.800 0.021 0.000 2.084 1360 Q HA -0.189 4.151 4.340 0.001 0.000 0.202 1360 Q C 1.420 177.431 176.000 0.019 0.000 0.978 1360 Q CA 1.521 57.382 55.803 0.097 0.000 0.844 1360 Q CB -0.234 28.541 28.738 0.061 0.000 0.898 1360 Q HN 0.571 nan 8.270 nan 0.000 0.426 1361 D N -0.123 120.232 120.400 -0.074 0.000 2.144 1361 D HA -0.079 4.561 4.640 0.001 0.000 0.200 1361 D C 1.970 178.141 176.300 -0.216 0.000 0.978 1361 D CA 0.998 54.915 54.000 -0.139 0.000 0.833 1361 D CB -0.081 40.610 40.800 -0.181 0.000 0.961 1361 D HN 0.058 nan 8.370 nan 0.000 0.470 1362 S N 0.245 115.791 115.700 -0.256 0.000 2.355 1362 S HA -0.096 4.374 4.470 0.001 0.000 0.222 1362 S C 1.766 176.334 174.600 -0.052 0.000 1.031 1362 S CA 0.574 58.605 58.200 -0.280 0.000 0.993 1362 S CB -0.337 62.727 63.200 -0.228 0.000 0.859 1362 S HN 0.156 nan 8.310 nan 0.000 0.453 1363 F N 2.024 121.994 119.950 0.033 0.000 2.216 1363 F HA 0.023 4.550 4.527 0.001 0.000 0.300 1363 F C 2.525 178.339 175.800 0.023 0.000 1.085 1363 F CA 0.242 58.272 58.000 0.050 0.000 1.326 1363 F CB -1.094 37.921 39.000 0.026 0.000 1.027 1363 F HN 0.182 nan 8.300 nan 0.000 0.497 1364 A N -0.283 122.630 122.820 0.154 0.000 1.969 1364 A HA 0.096 4.417 4.320 0.001 0.000 0.218 1364 A C 2.171 179.778 177.584 0.038 0.000 1.169 1364 A CA 1.375 53.452 52.037 0.065 0.000 0.635 1364 A CB -1.023 17.982 19.000 0.008 0.000 0.810 1364 A HN 0.223 nan 8.150 nan 0.000 0.445 1365 A N -1.590 121.228 122.820 -0.003 0.000 2.370 1365 A HA 0.445 4.765 4.320 0.001 0.000 0.238 1365 A C 1.605 179.308 177.584 0.199 0.000 1.289 1365 A CA 0.967 53.005 52.037 0.000 0.000 0.885 1365 A CB -1.103 17.753 19.000 -0.240 0.000 0.961 1365 A HN 1.817 nan 8.150 nan 0.000 0.499 1366 G N -2.255 106.690 108.800 0.241 0.000 2.148 1366 G HA2 -0.276 3.685 3.960 0.001 0.000 0.254 1366 G HA3 -0.276 3.685 3.960 0.001 0.000 0.254 1366 G C -0.068 175.130 174.900 0.497 0.000 0.981 1366 G CA 0.285 45.586 45.100 0.334 0.000 0.670 1366 G HN 0.398 nan 8.290 nan 0.000 0.528 1367 W N 0.523 121.897 121.300 0.124 0.000 2.161 1367 W HA 0.613 5.274 4.660 0.000 0.000 0.344 1367 W C 1.028 177.525 176.519 -0.038 0.000 1.262 1367 W CA 0.390 57.758 57.345 0.039 0.000 1.270 1367 W CB 0.654 30.084 29.460 -0.051 0.000 1.126 1367 W HN 0.425 nan 8.180 nan 0.000 0.598 1368 G N 0.055 108.852 108.800 -0.006 0.000 2.488 1368 G HA2 0.593 4.553 3.960 0.001 0.000 0.318 1368 G HA3 0.593 4.553 3.960 0.001 0.000 0.318 1368 G C -1.753 173.096 174.900 -0.084 0.000 1.188 1368 G CA -0.666 44.350 45.100 -0.141 0.000 0.944 1368 G HN 0.274 nan 8.290 nan 0.000 0.495 1369 V N 1.085 120.963 119.914 -0.060 0.000 2.567 1369 V HA 0.395 4.515 4.120 0.001 0.000 0.298 1369 V C -0.344 175.753 176.094 0.004 0.000 1.047 1369 V CA -0.464 61.755 62.300 -0.134 0.000 0.880 1369 V CB 1.682 33.236 31.823 -0.447 0.000 1.009 1369 V HN 0.805 nan 8.190 nan 0.000 0.429 1370 M N 5.740 125.324 119.600 -0.027 0.000 2.047 1370 M HA 0.524 5.005 4.480 0.001 0.000 0.342 1370 M C -0.917 175.377 176.300 -0.009 0.000 1.058 1370 M CA -0.488 54.792 55.300 -0.033 0.000 0.991 1370 M CB 1.221 33.732 32.600 -0.149 0.000 1.474 1370 M HN 0.482 nan 8.290 nan 0.000 0.419 1371 V N 3.642 123.575 119.914 0.031 0.000 2.655 1371 V HA 0.189 4.309 4.120 0.001 0.000 0.300 1371 V C 0.275 176.395 176.094 0.043 0.000 1.044 1371 V CA 0.158 62.487 62.300 0.048 0.000 1.095 1371 V CB 1.136 33.001 31.823 0.069 0.000 0.952 1371 V HN 0.897 nan 8.190 nan 0.000 0.485 1372 S N 2.856 118.598 115.700 0.070 0.000 2.570 1372 S HA 0.592 5.063 4.470 0.001 0.000 0.286 1372 S C -0.464 174.254 174.600 0.197 0.000 1.099 1372 S CA -0.823 57.446 58.200 0.114 0.000 0.913 1372 S CB 1.215 64.486 63.200 0.118 0.000 1.085 1372 S HN 0.975 nan 8.310 nan 0.000 0.480 1373 H N 1.453 120.543 119.070 0.034 0.000 2.523 1373 H HA 0.755 5.311 4.556 0.001 0.000 0.317 1373 H C -0.206 175.135 175.328 0.022 0.000 1.511 1373 H CA -1.224 54.845 56.048 0.034 0.000 1.499 1373 H CB 0.480 30.261 29.762 0.031 0.000 1.742 1373 H HN 0.289 nan 8.280 nan 0.000 0.750 1374 R N -0.302 120.112 120.500 -0.143 0.000 2.892 1374 R HA 0.131 4.471 4.340 0.001 0.000 0.265 1374 R C 1.133 177.184 176.300 -0.415 0.000 1.025 1374 R CA -0.302 55.661 56.100 -0.228 0.000 0.982 1374 R CB 1.484 31.731 30.300 -0.087 0.000 1.185 1374 R HN 0.932 nan 8.270 nan 0.000 0.484 1375 S N -0.604 114.932 115.700 -0.272 0.000 2.399 1375 S HA -0.060 4.410 4.470 0.001 0.000 0.231 1375 S C 1.045 175.578 174.600 -0.113 0.000 1.022 1375 S CA 0.840 58.917 58.200 -0.205 0.000 0.983 1375 S CB -0.131 63.064 63.200 -0.009 0.000 0.803 1375 S HN 0.675 nan 8.310 nan 0.000 0.480 1376 G N 1.673 110.427 108.800 -0.077 0.000 2.428 1376 G HA2 0.539 4.500 3.960 0.001 0.000 0.320 1376 G HA3 0.539 4.500 3.960 0.001 0.000 0.320 1376 G C -0.427 174.452 174.900 -0.034 0.000 1.098 1376 G CA -0.457 44.622 45.100 -0.035 0.000 0.984 1376 G HN 0.135 nan 8.290 nan 0.000 0.444 1377 E N 0.367 120.562 120.200 -0.010 0.000 2.390 1377 E HA 0.712 5.062 4.350 0.001 0.000 0.249 1377 E C 0.388 177.007 176.600 0.032 0.000 0.981 1377 E CA -0.414 55.998 56.400 0.021 0.000 0.860 1377 E CB 2.145 31.881 29.700 0.060 0.000 1.278 1377 E HN 0.589 nan 8.360 nan 0.000 0.416 1378 T N -3.024 111.557 114.554 0.045 0.000 2.696 1378 T HA 0.200 4.551 4.350 0.001 0.000 0.291 1378 T C 0.610 175.344 174.700 0.056 0.000 1.095 1378 T CA -0.643 61.484 62.100 0.045 0.000 1.026 1378 T CB 0.942 69.830 68.868 0.033 0.000 1.390 1378 T HN 0.402 nan 8.240 nan 0.000 0.513 1379 E N 0.395 120.627 120.200 0.054 0.000 2.516 1379 E HA -0.059 4.291 4.350 0.001 0.000 0.199 1379 E C 0.142 176.780 176.600 0.063 0.000 1.069 1379 E CA 0.078 56.511 56.400 0.055 0.000 0.876 1379 E CB -0.281 29.449 29.700 0.050 0.000 0.843 1379 E HN 0.725 nan 8.360 nan 0.000 0.530 1380 D N 2.155 122.597 120.400 0.070 0.000 2.425 1380 D HA -0.030 4.611 4.640 0.001 0.000 0.247 1380 D C 0.295 176.662 176.300 0.112 0.000 1.147 1380 D CA 0.632 54.688 54.000 0.093 0.000 0.879 1380 D CB 1.118 41.972 40.800 0.089 0.000 1.179 1380 D HN 0.115 nan 8.370 nan 0.000 0.456 1381 T N 1.248 115.877 114.554 0.125 0.000 3.228 1381 T HA 0.039 4.390 4.350 0.001 0.000 0.278 1381 T C 1.523 176.299 174.700 0.126 0.000 1.014 1381 T CA -0.608 61.555 62.100 0.106 0.000 0.904 1381 T CB -0.545 68.360 68.868 0.061 0.000 1.110 1381 T HN 0.373 nan 8.240 nan 0.000 0.541 1382 F N 3.216 123.194 119.950 0.047 0.000 2.115 1382 F HA -0.121 4.406 4.527 0.001 0.000 0.300 1382 F C 1.837 177.667 175.800 0.050 0.000 1.092 1382 F CA 2.024 60.056 58.000 0.052 0.000 1.245 1382 F CB -0.248 38.782 39.000 0.050 0.000 0.995 1382 F HN 0.397 nan 8.300 nan 0.000 0.481 1383 I N -1.415 119.280 120.570 0.209 0.000 2.567 1383 I HA -0.093 4.077 4.170 0.001 0.000 0.257 1383 I C 2.255 178.361 176.117 -0.018 0.000 1.184 1383 I CA 1.221 62.588 61.300 0.112 0.000 1.451 1383 I CB -1.244 36.846 38.000 0.150 0.000 1.089 1383 I HN 0.134 nan 8.210 nan 0.000 0.441 1384 A N 1.863 124.657 122.820 -0.044 0.000 1.873 1384 A HA -0.201 4.119 4.320 0.001 0.000 0.215 1384 A C 1.803 179.305 177.584 -0.137 0.000 1.186 1384 A CA 2.213 54.194 52.037 -0.092 0.000 0.616 1384 A CB -0.832 18.116 19.000 -0.087 0.000 0.823 1384 A HN 0.484 nan 8.150 nan 0.000 0.442 1385 D N -0.762 119.538 120.400 -0.166 0.000 2.149 1385 D HA -0.077 4.563 4.640 0.001 0.000 0.201 1385 D C 1.780 177.974 176.300 -0.175 0.000 0.972 1385 D CA 0.923 54.836 54.000 -0.144 0.000 0.835 1385 D CB -0.121 40.578 40.800 -0.168 0.000 0.966 1385 D HN 0.318 nan 8.370 nan 0.000 0.476 1386 L N 0.308 121.351 121.223 -0.301 0.000 2.046 1386 L HA -0.092 4.248 4.340 0.001 0.000 0.208 1386 L C 2.120 178.979 176.870 -0.018 0.000 1.077 1386 L CA 1.271 56.009 54.840 -0.170 0.000 0.747 1386 L CB -0.563 41.446 42.059 -0.085 0.000 0.896 1386 L HN 0.005 nan 8.230 nan 0.000 0.432 1387 V N -1.290 118.615 119.914 -0.015 0.000 2.407 1387 V HA -0.233 3.888 4.120 0.001 0.000 0.248 1387 V C 2.369 178.480 176.094 0.029 0.000 1.055 1387 V CA 1.937 64.254 62.300 0.028 0.000 1.049 1387 V CB 0.018 31.850 31.823 0.015 0.000 0.662 1387 V HN 0.340 nan 8.190 nan 0.000 0.455 1388 V N 0.588 120.485 119.914 -0.027 0.000 2.379 1388 V HA -0.058 4.062 4.120 0.001 0.000 0.245 1388 V C 2.716 178.878 176.094 0.112 0.000 1.044 1388 V CA 1.902 64.187 62.300 -0.025 0.000 1.036 1388 V CB -1.368 30.318 31.823 -0.228 0.000 0.664 1388 V HN 0.617 nan 8.190 nan 0.000 0.453 1389 G N 0.036 108.905 108.800 0.115 0.000 2.440 1389 G HA2 -0.213 3.747 3.960 0.001 0.000 0.218 1389 G HA3 -0.213 3.747 3.960 0.001 0.000 0.218 1389 G C 1.477 176.457 174.900 0.134 0.000 1.154 1389 G CA 0.838 46.040 45.100 0.170 0.000 0.767 1389 G HN 0.496 nan 8.290 nan 0.000 0.552 1390 L N -1.000 120.295 121.223 0.120 0.000 2.554 1390 L HA 0.236 4.576 4.340 0.001 0.000 0.226 1390 L C 1.705 178.644 176.870 0.115 0.000 1.137 1390 L CA 0.155 55.089 54.840 0.156 0.000 0.863 1390 L CB -0.020 42.175 42.059 0.227 0.000 0.985 1390 L HN 0.245 nan 8.230 nan 0.000 0.451 1391 R N 0.362 120.913 120.500 0.086 0.000 3.641 1391 R HA -0.240 4.101 4.340 0.001 0.000 0.286 1391 R C 1.577 177.884 176.300 0.012 0.000 1.153 1391 R CA 0.699 56.813 56.100 0.024 0.000 0.775 1391 R CB -1.484 28.775 30.300 -0.069 0.000 1.215 1391 R HN 0.537 nan 8.270 nan 0.000 0.474 1392 T N -4.031 110.616 114.554 0.155 0.000 2.777 1392 T HA 0.033 4.383 4.350 0.001 0.000 0.266 1392 T C 1.569 176.375 174.700 0.177 0.000 1.040 1392 T CA 1.701 63.973 62.100 0.286 0.000 1.141 1392 T CB 0.058 69.128 68.868 0.336 0.000 0.868 1392 T HN 0.984 nan 8.240 nan 0.000 0.444 1393 G N 1.245 110.124 108.800 0.132 0.000 2.157 1393 G HA2 -0.181 3.780 3.960 0.001 0.000 0.239 1393 G HA3 -0.181 3.780 3.960 0.001 0.000 0.239 1393 G C -0.131 174.889 174.900 0.201 0.000 0.982 1393 G CA 0.265 45.436 45.100 0.118 0.000 0.650 1393 G HN 1.132 nan 8.290 nan 0.000 0.527 1394 Q N -1.101 118.826 119.800 0.213 0.000 2.327 1394 Q HA 0.769 5.110 4.340 0.001 0.000 0.265 1394 Q C -1.197 174.903 176.000 0.167 0.000 0.993 1394 Q CA -1.111 54.849 55.803 0.261 0.000 0.885 1394 Q CB 2.180 31.108 28.738 0.317 0.000 1.379 1394 Q HN 0.721 nan 8.270 nan 0.000 0.408 1395 I N 1.102 121.795 120.570 0.204 0.000 2.769 1395 I HA 0.554 4.724 4.170 0.001 0.000 0.298 1395 I C -1.833 174.349 176.117 0.108 0.000 1.128 1395 I CA -0.853 60.514 61.300 0.111 0.000 1.031 1395 I CB 2.409 40.463 38.000 0.090 0.000 1.235 1395 I HN 0.742 nan 8.210 nan 0.000 0.423 1396 K N 4.273 124.668 120.400 -0.009 0.000 2.425 1396 K HA 0.406 4.727 4.320 0.001 0.000 0.259 1396 K C -0.604 175.772 176.600 -0.373 0.000 0.978 1396 K CA -0.255 55.980 56.287 -0.086 0.000 0.883 1396 K CB 1.485 33.951 32.500 -0.058 0.000 1.110 1396 K HN 0.652 nan 8.250 nan 0.000 0.436 1397 T N 2.152 116.409 114.554 -0.495 0.000 3.475 1397 T HA 0.336 4.686 4.350 0.001 0.000 0.310 1397 T C -0.179 174.185 174.700 -0.560 0.000 0.963 1397 T CA 0.414 62.074 62.100 -0.734 0.000 0.985 1397 T CB -0.056 68.690 68.868 -0.203 0.000 1.198 1397 T HN 0.982 nan 8.240 nan 0.000 0.508 1398 G N 1.124 109.651 108.800 -0.455 0.000 2.603 1398 G HA2 0.339 4.300 3.960 0.001 0.000 0.686 1398 G HA3 0.339 4.300 3.960 0.001 0.000 0.686 1398 G C -0.078 174.777 174.900 -0.075 0.000 1.286 1398 G CA -0.444 44.630 45.100 -0.043 0.000 0.871 1398 G HN 0.813 nan 8.290 nan 0.000 0.568 1399 A N 0.525 123.297 122.820 -0.081 0.000 2.327 1399 A HA 0.753 5.073 4.320 0.001 0.000 0.255 1399 A C -0.927 176.468 177.584 -0.315 0.000 1.099 1399 A CA -0.237 51.671 52.037 -0.215 0.000 0.801 1399 A CB 0.308 19.164 19.000 -0.241 0.000 1.062 1399 A HN 0.893 nan 8.150 nan 0.000 0.496 1400 P HA 0.332 nan 4.420 nan 0.000 0.226 1400 P C -0.604 176.417 177.300 -0.465 0.000 1.758 1400 P CA 0.692 63.541 63.100 -0.418 0.000 0.896 1400 P CB -0.288 31.176 31.700 -0.393 0.000 1.784 1401 A N 0.778 123.371 122.820 -0.379 0.000 2.520 1401 A HA 0.733 5.053 4.320 0.001 0.000 0.298 1401 A C -0.642 176.896 177.584 -0.076 0.000 1.051 1401 A CA -0.740 51.179 52.037 -0.197 0.000 0.690 1401 A CB 1.347 20.241 19.000 -0.176 0.000 1.281 1401 A HN 0.139 nan 8.150 nan 0.000 0.402 1402 R N 1.123 121.616 120.500 -0.011 0.000 1.210 1402 R HA -0.103 4.238 4.340 0.001 0.000 0.422 1402 R C 0.471 176.779 176.300 0.014 0.000 1.319 1402 R CA 0.511 56.619 56.100 0.014 0.000 0.951 1402 R CB -1.472 28.839 30.300 0.019 0.000 3.017 1402 R HN 0.834 nan 8.270 nan 0.000 0.506 1403 S N 1.634 117.349 115.700 0.024 0.000 2.469 1403 S HA -0.165 4.305 4.470 0.001 0.000 0.238 1403 S C 1.689 176.311 174.600 0.036 0.000 0.998 1403 S CA 1.446 59.663 58.200 0.028 0.000 0.957 1403 S CB -0.073 63.146 63.200 0.031 0.000 0.764 1403 S HN 0.708 nan 8.310 nan 0.000 0.514 1404 E N 1.126 121.352 120.200 0.043 0.000 2.418 1404 E HA -0.100 4.251 4.350 0.001 0.000 0.197 1404 E C 1.400 178.040 176.600 0.068 0.000 1.026 1404 E CA 0.551 56.985 56.400 0.056 0.000 0.862 1404 E CB -0.008 29.727 29.700 0.058 0.000 0.799 1404 E HN 0.347 nan 8.360 nan 0.000 0.518 1405 R N 0.179 120.709 120.500 0.051 0.000 2.121 1405 R HA 0.198 4.539 4.340 0.001 0.000 0.206 1405 R C 2.418 178.730 176.300 0.020 0.000 1.094 1405 R CA 0.080 56.205 56.100 0.042 0.000 1.055 1405 R CB -0.682 29.626 30.300 0.014 0.000 0.964 1405 R HN 0.159 nan 8.270 nan 0.000 0.473 1406 L N 1.414 122.643 121.223 0.010 0.000 2.191 1406 L HA 0.015 4.355 4.340 0.001 0.000 0.212 1406 L C 2.371 179.260 176.870 0.032 0.000 1.103 1406 L CA 1.660 56.509 54.840 0.014 0.000 0.769 1406 L CB -1.562 40.502 42.059 0.008 0.000 0.908 1406 L HN 0.117 nan 8.230 nan 0.000 0.438 1407 A N -0.178 122.663 122.820 0.035 0.000 1.978 1407 A HA -0.234 4.087 4.320 0.001 0.000 0.220 1407 A C 2.377 179.982 177.584 0.035 0.000 1.170 1407 A CA 1.690 53.750 52.037 0.038 0.000 0.636 1407 A CB -0.266 18.761 19.000 0.044 0.000 0.810 1407 A HN 0.244 nan 8.150 nan 0.000 0.448 1408 K N -0.202 120.220 120.400 0.036 0.000 2.044 1408 K HA 0.148 4.468 4.320 0.001 0.000 0.204 1408 K C 1.776 178.386 176.600 0.016 0.000 1.049 1408 K CA 1.019 57.320 56.287 0.023 0.000 0.945 1408 K CB -0.499 32.017 32.500 0.027 0.000 0.724 1408 K HN 0.469 nan 8.250 nan 0.000 0.440 1409 L N 1.064 122.325 121.223 0.064 0.000 2.083 1409 L HA -0.209 4.132 4.340 0.001 0.000 0.209 1409 L C 1.731 178.690 176.870 0.148 0.000 1.083 1409 L CA 1.038 55.978 54.840 0.167 0.000 0.752 1409 L CB -0.523 41.633 42.059 0.163 0.000 0.899 1409 L HN 0.230 nan 8.230 nan 0.000 0.433 1410 N N -0.192 118.556 118.700 0.079 0.000 2.188 1410 N HA -0.213 4.527 4.740 0.001 0.000 0.184 1410 N C 1.889 177.410 175.510 0.018 0.000 1.018 1410 N CA 1.027 54.113 53.050 0.060 0.000 0.858 1410 N CB -0.207 38.304 38.487 0.041 0.000 0.989 1410 N HN 0.296 nan 8.380 nan 0.000 0.426 1411 Q N 0.892 120.686 119.800 -0.011 0.000 2.119 1411 Q HA 0.067 4.407 4.340 0.001 0.000 0.201 1411 Q C 1.951 177.873 176.000 -0.130 0.000 0.972 1411 Q CA 1.037 56.813 55.803 -0.045 0.000 0.847 1411 Q CB -0.297 28.420 28.738 -0.034 0.000 0.903 1411 Q HN 0.361 nan 8.270 nan 0.000 0.433 1412 L N -0.425 120.664 121.223 -0.224 0.000 2.131 1412 L HA -0.157 4.183 4.340 0.001 0.000 0.210 1412 L C 2.219 178.852 176.870 -0.395 0.000 1.092 1412 L CA 0.754 55.289 54.840 -0.508 0.000 0.759 1412 L CB -0.373 41.039 42.059 -1.078 0.000 0.903 1412 L HN 0.294 nan 8.230 nan 0.000 0.435 1413 L N -0.695 120.471 121.223 -0.096 0.000 2.017 1413 L HA -0.213 4.128 4.340 0.001 0.000 0.208 1413 L C 2.849 179.704 176.870 -0.024 0.000 1.073 1413 L CA 1.364 56.240 54.840 0.060 0.000 0.745 1413 L CB -0.486 41.645 42.059 0.120 0.000 0.894 1413 L HN 0.201 nan 8.230 nan 0.000 0.432 1414 R N 0.030 120.506 120.500 -0.040 0.000 2.081 1414 R HA -0.145 4.196 4.340 0.001 0.000 0.235 1414 R C 2.269 178.523 176.300 -0.077 0.000 1.131 1414 R CA 1.405 57.483 56.100 -0.036 0.000 0.960 1414 R CB -0.485 29.806 30.300 -0.015 0.000 0.856 1414 R HN 0.339 nan 8.270 nan 0.000 0.436 1415 I N 0.791 121.266 120.570 -0.159 0.000 2.179 1415 I HA -0.286 3.884 4.170 0.001 0.000 0.242 1415 I C 2.712 178.656 176.117 -0.289 0.000 1.088 1415 I CA 1.435 62.556 61.300 -0.298 0.000 1.357 1415 I CB -0.388 37.304 38.000 -0.513 0.000 1.051 1415 I HN 0.298 nan 8.210 nan 0.000 0.409 1416 E N 1.297 121.362 120.200 -0.225 0.000 2.058 1416 E HA -0.326 4.024 4.350 0.001 0.000 0.194 1416 E C 2.153 178.712 176.600 -0.069 0.000 0.997 1416 E CA 1.836 58.158 56.400 -0.130 0.000 0.801 1416 E CB -0.153 29.524 29.700 -0.039 0.000 0.746 1416 E HN 0.480 nan 8.360 nan 0.000 0.450 1417 E N 0.409 120.582 120.200 -0.045 0.000 2.077 1417 E HA -0.279 4.071 4.350 0.001 0.000 0.193 1417 E C 2.092 178.683 176.600 -0.014 0.000 0.989 1417 E CA 1.431 57.821 56.400 -0.017 0.000 0.800 1417 E CB -0.116 29.581 29.700 -0.005 0.000 0.746 1417 E HN 0.387 nan 8.360 nan 0.000 0.452 1418 E N 0.192 120.377 120.200 -0.025 0.000 2.110 1418 E HA -0.167 4.184 4.350 0.001 0.000 0.193 1418 E C 2.265 178.872 176.600 0.010 0.000 0.988 1418 E CA 0.854 57.258 56.400 0.006 0.000 0.804 1418 E CB 0.011 29.732 29.700 0.035 0.000 0.745 1418 E HN 0.335 nan 8.360 nan 0.000 0.458 1419 L N -0.293 120.906 121.223 -0.040 0.000 2.179 1419 L HA 0.078 4.418 4.340 0.001 0.000 0.208 1419 L C 1.767 178.654 176.870 0.027 0.000 1.096 1419 L CA 0.453 55.284 54.840 -0.014 0.000 0.779 1419 L CB -0.682 41.306 42.059 -0.118 0.000 0.922 1419 L HN 0.432 nan 8.230 nan 0.000 0.443 1420 G N 0.782 109.590 108.800 0.013 0.000 2.622 1420 G HA2 -0.396 3.565 3.960 0.001 0.000 0.307 1420 G HA3 -0.396 3.565 3.960 0.001 0.000 0.307 1420 G C 0.421 175.348 174.900 0.044 0.000 1.226 1420 G CA 0.499 45.616 45.100 0.028 0.000 0.997 1420 G HN 0.321 nan 8.290 nan 0.000 0.551 1421 D N 1.553 121.982 120.400 0.048 0.000 2.392 1421 D HA 0.001 4.641 4.640 0.001 0.000 0.228 1421 D C 1.849 178.192 176.300 0.071 0.000 1.003 1421 D CA 0.755 54.787 54.000 0.054 0.000 0.917 1421 D CB -0.384 40.442 40.800 0.044 0.000 0.890 1421 D HN 0.475 nan 8.370 nan 0.000 0.532 1422 N N -0.209 118.548 118.700 0.095 0.000 2.383 1422 N HA 0.180 4.920 4.740 0.001 0.000 0.192 1422 N C -0.017 175.614 175.510 0.201 0.000 1.141 1422 N CA -0.023 53.116 53.050 0.149 0.000 0.851 1422 N CB 0.599 39.212 38.487 0.209 0.000 0.976 1422 N HN 0.027 nan 8.380 nan 0.000 0.465 1423 A N 0.008 122.910 122.820 0.136 0.000 2.572 1423 A HA 0.676 4.997 4.320 0.001 0.000 0.295 1423 A C -1.002 176.650 177.584 0.113 0.000 1.072 1423 A CA -0.711 51.411 52.037 0.142 0.000 0.691 1423 A CB 1.117 20.171 19.000 0.090 0.000 1.291 1423 A HN -0.026 nan 8.150 nan 0.000 0.404 1424 V N -1.329 118.660 119.914 0.124 0.000 2.962 1424 V HA 0.857 4.977 4.120 0.001 0.000 0.313 1424 V C -0.649 175.565 176.094 0.201 0.000 1.099 1424 V CA -0.901 61.484 62.300 0.142 0.000 0.971 1424 V CB 1.600 33.483 31.823 0.101 0.000 1.028 1424 V HN 1.155 nan 8.190 nan 0.000 0.430 1425 F N 3.340 123.332 119.950 0.071 0.000 2.420 1425 F HA 0.727 5.254 4.527 0.000 0.000 0.352 1425 F C 1.279 177.139 175.800 0.099 0.000 1.108 1425 F CA -0.038 58.019 58.000 0.094 0.000 1.162 1425 F CB 1.492 40.545 39.000 0.090 0.000 1.118 1425 F HN 0.887 nan 8.300 nan 0.000 0.510 1426 A N 5.198 127.745 122.820 -0.454 0.000 1.908 1426 A HA 0.175 4.496 4.320 0.001 0.000 0.218 1426 A C 2.047 179.387 177.584 -0.407 0.000 1.181 1426 A CA 1.590 53.426 52.037 -0.335 0.000 0.627 1426 A CB -1.577 17.309 19.000 -0.189 0.000 0.818 1426 A HN 1.647 nan 8.150 nan 0.000 0.445 1427 G N -0.715 107.492 108.800 -0.989 0.000 2.651 1427 G HA2 -0.425 3.535 3.960 0.001 0.000 0.315 1427 G HA3 -0.425 3.535 3.960 0.001 0.000 0.315 1427 G C 0.586 175.501 174.900 0.026 0.000 1.258 1427 G CA 0.891 45.760 45.100 -0.386 0.000 1.002 1427 G HN 0.535 nan 8.290 nan 0.000 0.551 1428 E N 1.482 121.751 120.200 0.115 0.000 2.472 1428 E HA 0.034 4.384 4.350 0.001 0.000 0.200 1428 E C 1.642 178.326 176.600 0.141 0.000 1.046 1428 E CA 0.692 57.218 56.400 0.209 0.000 0.871 1428 E CB -0.024 29.757 29.700 0.136 0.000 0.806 1428 E HN 0.394 nan 8.360 nan 0.000 0.533 1429 N N 0.411 119.146 118.700 0.059 0.000 2.276 1429 N HA 0.008 4.749 4.740 0.001 0.000 0.212 1429 N C 0.889 176.349 175.510 -0.083 0.000 1.127 1429 N CA -0.024 53.008 53.050 -0.031 0.000 0.834 1429 N CB 0.120 38.607 38.487 -0.001 0.000 1.014 1429 N HN 0.278 nan 8.380 nan 0.000 0.491 1430 F N 1.061 121.018 119.950 0.012 0.000 2.147 1430 F HA -0.250 4.277 4.527 0.001 0.000 0.301 1430 F C 2.347 178.196 175.800 0.081 0.000 1.084 1430 F CA 1.388 59.412 58.000 0.041 0.000 1.268 1430 F CB -0.860 38.209 39.000 0.115 0.000 1.009 1430 F HN 0.086 nan 8.300 nan 0.000 0.486 1431 H N -0.287 118.108 119.070 -1.125 0.000 2.319 1431 H HA -0.148 4.409 4.556 0.000 0.000 0.299 1431 H C 0.868 175.956 175.328 -0.400 0.000 1.092 1431 H CA 2.350 57.943 56.048 -0.760 0.000 1.302 1431 H CB -0.475 28.709 29.762 -0.963 0.000 1.373 1431 H HN 0.377 nan 8.280 nan 0.000 0.497 1432 H N -0.493 118.438 119.070 -0.231 0.000 2.507 1432 H HA 0.245 4.801 4.556 0.000 0.000 0.281 1432 H C 1.690 176.950 175.328 -0.114 0.000 1.160 1432 H CA 0.418 56.366 56.048 -0.167 0.000 0.981 1432 H CB 0.045 29.750 29.762 -0.095 0.000 1.665 1432 H HN 0.572 nan 8.280 nan 0.000 0.554 1433 G N 1.257 110.062 108.800 0.007 0.000 2.469 1433 G HA2 -0.312 3.649 3.960 0.001 0.000 0.219 1433 G HA3 -0.312 3.649 3.960 0.001 0.000 0.219 1433 G C 1.556 176.403 174.900 -0.089 0.000 1.150 1433 G CA 1.030 46.124 45.100 -0.010 0.000 0.763 1433 G HN 0.495 nan 8.290 nan 0.000 0.561 1434 D N 0.794 121.061 120.400 -0.222 0.000 2.182 1434 D HA -0.126 4.515 4.640 0.001 0.000 0.201 1434 D C 1.719 177.853 176.300 -0.277 0.000 0.986 1434 D CA 0.904 54.636 54.000 -0.447 0.000 0.847 1434 D CB -0.293 39.780 40.800 -1.212 0.000 0.942 1434 D HN 0.181 nan 8.370 nan 0.000 0.467 1435 K N -0.168 120.128 120.400 -0.173 0.000 2.487 1435 K HA 0.133 4.453 4.320 0.001 0.000 0.192 1435 K C 1.000 177.548 176.600 -0.086 0.000 1.027 1435 K CA -0.409 55.801 56.287 -0.128 0.000 1.054 1435 K CB -0.161 32.260 32.500 -0.132 0.000 0.824 1435 K HN 0.225 nan 8.250 nan 0.000 0.510 1436 L N 0.000 121.182 121.223 -0.069 0.000 2.949 1436 L HA 0.000 4.340 4.340 0.001 0.000 0.249 1436 L CA 0.000 54.815 54.840 -0.042 0.000 0.813 1436 L CB 0.000 42.044 42.059 -0.026 0.000 0.961 1436 L HN 0.000 nan 8.230 nan 0.000 0.502