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 1ofq_1_D DATA FIRST_RESID 4023 DATA SEQUENCE VRILGYDPLA SPALLQVQIP ATPTSLETAK RGRREAIDII TGKDDRVLVI DATA SEQUENCE VGPCSIHDLE AAQEYALRLK KLSDELKGDL SIIMRAYLEX PRTTVGWKGL DATA SEQUENCE INDPDVNNTF NINKGLQSAR QLFVNLTNIG LPIGSEMLDT ISPQYLADLV DATA SEQUENCE SFGAIGARTT ESQLHRELAS GLSFPVGFKN GTDGTLNVAV DACQAAAHSH DATA SEQUENCE HFMGVTKHGV AAITTTKGNE HCFVILRGGK KGTNYDAKSV AEAKAQLPAG DATA SEQUENCE SNGLMIDYSH GNSNKDFRNQ PKVNDVVCEQ IANGENAITG VMIESNINEG DATA SEQUENCE NQGIPAEGKA GLKYGVSITD ACIGWETTED VLRKLAAAVR QRREVNK 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 4023 V HA 0.000 nan 4.120 nan 0.000 0.244 4023 V C 0.000 176.086 176.094 -0.014 0.000 1.182 4023 V CA 0.000 62.300 62.300 -0.000 0.000 1.235 4023 V CB 0.000 31.823 31.823 0.000 0.000 1.184 4024 R N 0.828 121.317 120.500 -0.018 0.000 2.568 4024 R HA 0.413 4.753 4.340 -0.000 0.000 0.288 4024 R C -0.525 175.738 176.300 -0.062 0.000 1.077 4024 R CA 0.084 56.163 56.100 -0.035 0.000 1.102 4024 R CB 0.396 30.679 30.300 -0.028 0.000 1.278 4024 R HN 0.290 nan 8.270 nan 0.000 0.560 4025 I N 1.865 122.393 120.570 -0.070 0.000 2.437 4025 I HA 0.045 4.215 4.170 -0.000 0.000 0.279 4025 I C 0.838 176.862 176.117 -0.154 0.000 1.028 4025 I CA -0.489 60.724 61.300 -0.145 0.000 1.142 4025 I CB 1.670 39.590 38.000 -0.134 0.000 1.266 4025 I HN 0.014 nan 8.210 nan 0.000 0.461 4026 L N 5.147 126.268 121.223 -0.170 0.000 2.083 4026 L HA 0.121 4.461 4.340 -0.000 0.000 0.209 4026 L C 1.236 178.020 176.870 -0.144 0.000 1.083 4026 L CA 1.068 55.829 54.840 -0.131 0.000 0.752 4026 L CB -0.628 41.358 42.059 -0.120 0.000 0.899 4026 L HN 0.807 nan 8.230 nan 0.000 0.433 4027 G N -3.753 104.884 108.800 -0.272 0.000 2.322 4027 G HA2 0.340 4.300 3.960 -0.000 0.000 0.295 4027 G HA3 0.340 4.300 3.960 -0.000 0.000 0.295 4027 G C -2.035 172.592 174.900 -0.454 0.000 1.369 4027 G CA -0.753 44.207 45.100 -0.233 0.000 0.821 4027 G HN -0.195 nan 8.290 nan 0.000 0.536 4028 Y N -0.002 120.286 120.300 -0.021 0.000 2.499 4028 Y HA 0.621 5.171 4.550 -0.000 0.000 0.347 4028 Y C -0.460 175.431 175.900 -0.014 0.000 0.987 4028 Y CA -0.788 57.300 58.100 -0.020 0.000 1.044 4028 Y CB 2.638 41.090 38.460 -0.014 0.000 1.245 4028 Y HN 0.322 nan 8.280 nan 0.000 0.461 4029 D N 3.327 123.804 120.400 0.129 0.000 2.498 4029 D HA 0.316 4.956 4.640 -0.000 0.000 0.247 4029 D C -2.446 173.901 176.300 0.079 0.000 1.070 4029 D CA -1.280 52.766 54.000 0.076 0.000 0.842 4029 D CB 1.880 42.701 40.800 0.035 0.000 1.361 4029 D HN 0.329 nan 8.370 nan 0.000 0.484 4030 P HA 0.146 nan 4.420 nan 0.000 0.267 4030 P C -0.747 176.583 177.300 0.051 0.000 1.200 4030 P CA -0.495 62.636 63.100 0.051 0.000 0.772 4030 P CB 0.889 32.612 31.700 0.038 0.000 0.855 4031 L N 2.039 123.297 121.223 0.059 0.000 2.349 4031 L HA 0.632 4.972 4.340 -0.000 0.000 0.278 4031 L C -0.292 176.635 176.870 0.096 0.000 0.996 4031 L CA -0.829 54.053 54.840 0.070 0.000 0.825 4031 L CB 1.483 43.592 42.059 0.082 0.000 1.243 4031 L HN 0.559 nan 8.230 nan 0.000 0.412 4032 A N 3.465 126.345 122.820 0.101 0.000 2.511 4032 A HA 0.478 4.798 4.320 -0.000 0.000 0.242 4032 A C 0.542 178.266 177.584 0.232 0.000 1.069 4032 A CA 0.405 52.521 52.037 0.131 0.000 0.763 4032 A CB -0.257 18.813 19.000 0.116 0.000 1.001 4032 A HN 0.990 nan 8.150 nan 0.000 0.498 4033 S N 2.609 118.402 115.700 0.154 0.000 2.593 4033 S HA 0.334 4.804 4.470 -0.000 0.000 0.269 4033 S C -1.939 172.641 174.600 -0.033 0.000 1.334 4033 S CA -0.743 57.508 58.200 0.086 0.000 1.015 4033 S CB 0.553 63.787 63.200 0.057 0.000 0.912 4033 S HN 0.438 nan 8.310 nan 0.000 0.541 4034 P HA -0.051 nan 4.420 nan 0.000 0.216 4034 P C 1.596 178.753 177.300 -0.238 0.000 1.150 4034 P CA 1.936 64.565 63.100 -0.785 0.000 0.837 4034 P CB -0.232 30.949 31.700 -0.866 0.000 0.786 4035 A N -0.654 122.092 122.820 -0.123 0.000 1.877 4035 A HA -0.191 4.129 4.320 -0.000 0.000 0.216 4035 A C 2.134 179.737 177.584 0.031 0.000 1.186 4035 A CA 1.495 53.523 52.037 -0.016 0.000 0.620 4035 A CB -1.695 17.366 19.000 0.102 0.000 0.822 4035 A HN 0.142 nan 8.150 nan 0.000 0.443 4036 L N -0.491 120.763 121.223 0.052 0.000 2.012 4036 L HA -0.111 4.229 4.340 -0.000 0.000 0.210 4036 L C 2.123 179.032 176.870 0.065 0.000 1.073 4036 L CA 1.601 56.476 54.840 0.059 0.000 0.748 4036 L CB -0.458 41.640 42.059 0.066 0.000 0.891 4036 L HN 0.298 nan 8.230 nan 0.000 0.431 4037 L N -0.837 120.442 121.223 0.093 0.000 2.275 4037 L HA -0.170 4.170 4.340 -0.000 0.000 0.215 4037 L C 2.446 179.362 176.870 0.077 0.000 1.119 4037 L CA 1.433 56.341 54.840 0.114 0.000 0.790 4037 L CB -0.891 41.309 42.059 0.234 0.000 0.919 4037 L HN 0.535 nan 8.230 nan 0.000 0.443 4038 Q N -1.545 118.284 119.800 0.049 0.000 2.245 4038 Q HA -0.080 4.260 4.340 -0.000 0.000 0.201 4038 Q C 2.202 178.223 176.000 0.035 0.000 0.955 4038 Q CA 0.663 56.488 55.803 0.036 0.000 0.870 4038 Q CB 0.341 29.085 28.738 0.010 0.000 0.945 4038 Q HN 0.305 nan 8.270 nan 0.000 0.461 4039 V N 0.292 120.228 119.914 0.036 0.000 2.535 4039 V HA -0.192 3.928 4.120 -0.000 0.000 0.246 4039 V C 2.068 178.182 176.094 0.033 0.000 1.045 4039 V CA 1.404 63.723 62.300 0.033 0.000 1.058 4039 V CB -0.230 31.612 31.823 0.033 0.000 0.689 4039 V HN 0.327 nan 8.190 nan 0.000 0.461 4040 Q N -0.256 119.567 119.800 0.039 0.000 2.046 4040 Q HA 0.007 4.347 4.340 -0.000 0.000 0.200 4040 Q C 0.656 176.677 176.000 0.036 0.000 0.975 4040 Q CA 1.195 57.020 55.803 0.037 0.000 0.836 4040 Q CB 0.184 28.947 28.738 0.042 0.000 0.896 4040 Q HN 0.534 nan 8.270 nan 0.000 0.428 4041 I N 2.476 123.071 120.570 0.041 0.000 2.697 4041 I HA 0.275 4.445 4.170 -0.000 0.000 0.279 4041 I C -2.294 173.849 176.117 0.044 0.000 1.171 4041 I CA -2.051 59.274 61.300 0.041 0.000 1.135 4041 I CB 1.210 39.236 38.000 0.043 0.000 1.445 4041 I HN 0.019 nan 8.210 nan 0.000 0.541 4042 P HA 0.152 nan 4.420 nan 0.000 0.272 4042 P C -0.316 177.009 177.300 0.042 0.000 1.223 4042 P CA -0.201 62.922 63.100 0.038 0.000 0.784 4042 P CB 1.358 33.077 31.700 0.031 0.000 0.923 4043 A N 2.548 125.394 122.820 0.044 0.000 2.363 4043 A HA 0.477 4.797 4.320 -0.000 0.000 0.270 4043 A C 0.872 178.479 177.584 0.037 0.000 1.121 4043 A CA -0.223 51.843 52.037 0.048 0.000 0.800 4043 A CB -0.411 18.620 19.000 0.053 0.000 1.052 4043 A HN 0.644 nan 8.150 nan 0.000 0.493 4044 T N 0.650 115.225 114.554 0.035 0.000 2.868 4044 T HA 0.364 4.714 4.350 -0.000 0.000 0.292 4044 T C -1.904 172.811 174.700 0.025 0.000 1.028 4044 T CA -1.226 60.891 62.100 0.027 0.000 1.059 4044 T CB 0.634 69.516 68.868 0.024 0.000 0.991 4044 T HN 0.317 nan 8.240 nan 0.000 0.531 4045 P HA -0.055 nan 4.420 nan 0.000 0.218 4045 P C 1.550 178.861 177.300 0.018 0.000 1.148 4045 P CA 1.054 64.166 63.100 0.019 0.000 0.822 4045 P CB -0.167 31.543 31.700 0.016 0.000 0.784 4046 T N -1.485 113.079 114.554 0.016 0.000 2.821 4046 T HA -0.078 4.272 4.350 -0.000 0.000 0.267 4046 T C 1.950 176.659 174.700 0.015 0.000 1.046 4046 T CA 1.455 63.563 62.100 0.014 0.000 1.139 4046 T CB -0.690 68.184 68.868 0.011 0.000 0.871 4046 T HN 0.095 nan 8.240 nan 0.000 0.454 4047 S N 1.403 117.115 115.700 0.021 0.000 2.348 4047 S HA -0.004 4.466 4.470 -0.000 0.000 0.221 4047 S C 1.997 176.611 174.600 0.024 0.000 1.033 4047 S CA 0.941 59.155 58.200 0.024 0.000 1.010 4047 S CB -0.442 62.781 63.200 0.037 0.000 0.891 4047 S HN 0.264 nan 8.310 nan 0.000 0.442 4048 L N 1.435 122.676 121.223 0.029 0.000 2.083 4048 L HA -0.110 4.230 4.340 -0.000 0.000 0.209 4048 L C 2.554 179.440 176.870 0.026 0.000 1.083 4048 L CA 1.387 56.246 54.840 0.032 0.000 0.752 4048 L CB -0.526 41.553 42.059 0.033 0.000 0.899 4048 L HN 0.213 nan 8.230 nan 0.000 0.433 4049 E N -0.373 119.839 120.200 0.021 0.000 2.110 4049 E HA -0.169 4.181 4.350 -0.000 0.000 0.193 4049 E C 2.032 178.640 176.600 0.014 0.000 0.988 4049 E CA 1.955 58.365 56.400 0.018 0.000 0.804 4049 E CB -0.245 29.464 29.700 0.014 0.000 0.745 4049 E HN 0.457 nan 8.360 nan 0.000 0.458 4050 T N 0.191 114.751 114.554 0.009 0.000 2.737 4050 T HA -0.048 4.302 4.350 -0.000 0.000 0.265 4050 T C 1.955 176.654 174.700 -0.002 0.000 1.038 4050 T CA 1.442 63.543 62.100 0.001 0.000 1.144 4050 T CB -0.655 68.209 68.868 -0.006 0.000 0.866 4050 T HN 0.315 nan 8.240 nan 0.000 0.434 4051 A N 2.265 125.084 122.820 -0.000 0.000 1.892 4051 A HA -0.199 4.121 4.320 -0.000 0.000 0.218 4051 A C 2.304 179.900 177.584 0.020 0.000 1.188 4051 A CA 1.848 53.883 52.037 -0.004 0.000 0.631 4051 A CB -0.574 18.429 19.000 0.006 0.000 0.822 4051 A HN 0.500 nan 8.150 nan 0.000 0.447 4052 K N -1.007 119.412 120.400 0.031 0.000 2.032 4052 K HA -0.173 4.147 4.320 -0.000 0.000 0.209 4052 K C 2.425 179.043 176.600 0.031 0.000 1.048 4052 K CA 1.618 57.930 56.287 0.041 0.000 0.927 4052 K CB -0.215 32.307 32.500 0.037 0.000 0.712 4052 K HN 0.460 nan 8.250 nan 0.000 0.441 4053 R N 0.569 121.081 120.500 0.019 0.000 2.081 4053 R HA -0.128 4.211 4.340 -0.000 0.000 0.235 4053 R C 2.410 178.716 176.300 0.010 0.000 1.131 4053 R CA 1.711 57.819 56.100 0.012 0.000 0.960 4053 R CB -0.547 29.756 30.300 0.006 0.000 0.856 4053 R HN 0.338 nan 8.270 nan 0.000 0.436 4054 G N 0.486 109.290 108.800 0.007 0.000 2.442 4054 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.219 4054 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.219 4054 G C 1.386 176.302 174.900 0.027 0.000 1.141 4054 G CA 0.798 45.902 45.100 0.006 0.000 0.763 4054 G HN 0.339 nan 8.290 nan 0.000 0.554 4055 R N -0.144 120.383 120.500 0.044 0.000 2.066 4055 R HA 0.055 4.395 4.340 -0.000 0.000 0.232 4055 R C 2.823 179.134 176.300 0.019 0.000 1.131 4055 R CA 1.077 57.219 56.100 0.069 0.000 0.955 4055 R CB -0.313 30.051 30.300 0.106 0.000 0.851 4055 R HN 0.249 nan 8.270 nan 0.000 0.432 4056 R N 0.869 121.375 120.500 0.011 0.000 2.091 4056 R HA -0.156 4.184 4.340 -0.000 0.000 0.238 4056 R C 2.168 178.457 176.300 -0.019 0.000 1.136 4056 R CA 1.684 57.779 56.100 -0.009 0.000 0.959 4056 R CB -0.165 30.138 30.300 0.004 0.000 0.856 4056 R HN 0.399 nan 8.270 nan 0.000 0.437 4057 E N 0.262 120.456 120.200 -0.010 0.000 2.072 4057 E HA -0.137 4.213 4.350 -0.000 0.000 0.191 4057 E C 2.076 178.661 176.600 -0.025 0.000 0.985 4057 E CA 0.998 57.388 56.400 -0.016 0.000 0.801 4057 E CB -0.094 29.597 29.700 -0.015 0.000 0.750 4057 E HN 0.354 nan 8.360 nan 0.000 0.452 4058 A N 1.483 124.297 122.820 -0.011 0.000 1.902 4058 A HA -0.175 4.145 4.320 -0.000 0.000 0.217 4058 A C 2.199 179.765 177.584 -0.030 0.000 1.181 4058 A CA 1.064 53.099 52.037 -0.004 0.000 0.623 4058 A CB -0.610 18.438 19.000 0.081 0.000 0.818 4058 A HN 0.119 nan 8.150 nan 0.000 0.443 4059 I N -0.009 120.517 120.570 -0.073 0.000 2.127 4059 I HA -0.264 3.906 4.170 -0.000 0.000 0.241 4059 I C 1.878 177.952 176.117 -0.071 0.000 1.075 4059 I CA 1.656 62.854 61.300 -0.169 0.000 1.334 4059 I CB -0.553 37.241 38.000 -0.343 0.000 1.040 4059 I HN 0.258 nan 8.210 nan 0.000 0.405 4060 D N 0.856 121.228 120.400 -0.046 0.000 2.182 4060 D HA -0.152 4.488 4.640 -0.000 0.000 0.201 4060 D C 2.196 178.486 176.300 -0.018 0.000 0.986 4060 D CA 1.348 55.338 54.000 -0.017 0.000 0.847 4060 D CB -0.122 40.670 40.800 -0.012 0.000 0.942 4060 D HN 0.394 nan 8.370 nan 0.000 0.467 4061 I N 1.208 121.756 120.570 -0.037 0.000 2.162 4061 I HA -0.173 3.997 4.170 -0.000 0.000 0.238 4061 I C 2.593 178.672 176.117 -0.063 0.000 1.076 4061 I CA 0.645 61.914 61.300 -0.052 0.000 1.353 4061 I CB -0.370 37.584 38.000 -0.076 0.000 1.063 4061 I HN -0.019 nan 8.210 nan 0.000 0.408 4062 I N -0.264 120.253 120.570 -0.088 0.000 2.454 4062 I HA -0.215 3.955 4.170 -0.000 0.000 0.254 4062 I C 2.314 178.435 176.117 0.006 0.000 1.156 4062 I CA 1.929 63.169 61.300 -0.101 0.000 1.433 4062 I CB -0.969 36.949 38.000 -0.137 0.000 1.082 4062 I HN 0.291 nan 8.210 nan 0.000 0.432 4063 T N -2.270 112.308 114.554 0.040 0.000 3.107 4063 T HA 0.424 4.774 4.350 -0.000 0.000 0.249 4063 T C 1.555 176.280 174.700 0.042 0.000 1.096 4063 T CA 0.407 62.550 62.100 0.072 0.000 1.012 4063 T CB 0.224 69.157 68.868 0.108 0.000 0.977 4063 T HN 0.762 nan 8.240 nan 0.000 0.527 4064 G N 1.566 110.377 108.800 0.018 0.000 2.157 4064 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.248 4064 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.248 4064 G C 0.736 175.643 174.900 0.013 0.000 0.979 4064 G CA 0.596 45.703 45.100 0.013 0.000 0.650 4064 G HN 0.647 nan 8.290 nan 0.000 0.529 4065 K N 0.848 121.256 120.400 0.014 0.000 2.031 4065 K HA 0.051 4.371 4.320 -0.000 0.000 0.205 4065 K C 0.804 177.407 176.600 0.005 0.000 1.049 4065 K CA 1.598 57.893 56.287 0.013 0.000 0.939 4065 K CB -0.058 32.452 32.500 0.017 0.000 0.717 4065 K HN 0.400 nan 8.250 nan 0.000 0.438 4066 D N 0.132 120.530 120.400 -0.003 0.000 2.192 4066 D HA 0.071 4.711 4.640 -0.000 0.000 0.246 4066 D C -0.457 175.835 176.300 -0.012 0.000 1.042 4066 D CA -0.574 53.422 54.000 -0.008 0.000 0.847 4066 D CB 1.232 42.024 40.800 -0.013 0.000 1.186 4066 D HN 0.241 nan 8.370 nan 0.000 0.461 4067 D N 2.456 122.850 120.400 -0.010 0.000 2.319 4067 D HA 0.003 4.643 4.640 -0.000 0.000 0.230 4067 D C 0.252 176.542 176.300 -0.016 0.000 1.094 4067 D CA -0.128 53.865 54.000 -0.011 0.000 0.856 4067 D CB 0.002 40.798 40.800 -0.005 0.000 0.915 4067 D HN 0.190 nan 8.370 nan 0.000 0.517 4068 R N -0.266 120.222 120.500 -0.021 0.000 2.583 4068 R HA 0.521 4.861 4.340 -0.000 0.000 0.268 4068 R C -0.356 175.922 176.300 -0.037 0.000 1.101 4068 R CA -0.764 55.320 56.100 -0.026 0.000 1.180 4068 R CB 1.333 31.617 30.300 -0.027 0.000 1.128 4068 R HN -0.080 nan 8.270 nan 0.000 0.568 4069 V N 2.348 122.237 119.914 -0.041 0.000 2.483 4069 V HA 0.181 4.301 4.120 -0.000 0.000 0.295 4069 V C -0.411 175.636 176.094 -0.078 0.000 1.035 4069 V CA -0.787 61.479 62.300 -0.056 0.000 0.896 4069 V CB 1.607 33.405 31.823 -0.041 0.000 0.986 4069 V HN 0.416 nan 8.190 nan 0.000 0.447 4070 L N 6.816 127.974 121.223 -0.108 0.000 2.290 4070 L HA 0.571 4.911 4.340 -0.000 0.000 0.284 4070 L C -0.423 176.353 176.870 -0.156 0.000 1.078 4070 L CA 0.503 55.264 54.840 -0.132 0.000 0.815 4070 L CB 1.251 43.208 42.059 -0.170 0.000 1.162 4070 L HN 0.436 nan 8.230 nan 0.000 0.435 4071 V N 6.659 126.481 119.914 -0.153 0.000 2.531 4071 V HA 0.429 4.549 4.120 -0.000 0.000 0.301 4071 V C -0.255 175.725 176.094 -0.190 0.000 1.034 4071 V CA -0.576 61.619 62.300 -0.174 0.000 0.865 4071 V CB 1.710 33.450 31.823 -0.139 0.000 0.995 4071 V HN 0.517 nan 8.190 nan 0.000 0.424 4072 I N 6.207 126.636 120.570 -0.235 0.000 2.361 4072 I HA 0.357 4.527 4.170 -0.000 0.000 0.282 4072 I C -0.102 175.937 176.117 -0.130 0.000 1.075 4072 I CA -0.327 60.841 61.300 -0.221 0.000 1.205 4072 I CB 0.928 38.712 38.000 -0.360 0.000 1.406 4072 I HN 0.345 nan 8.210 nan 0.000 0.481 4073 V N 2.818 122.696 119.914 -0.060 0.000 2.483 4073 V HA 1.072 5.192 4.120 -0.000 0.000 0.295 4073 V C 0.498 176.647 176.094 0.093 0.000 1.035 4073 V CA -0.469 61.830 62.300 -0.001 0.000 0.896 4073 V CB 1.326 33.172 31.823 0.039 0.000 0.986 4073 V HN 0.902 nan 8.190 nan 0.000 0.447 4074 G N 3.673 112.494 108.800 0.034 0.000 2.320 4074 G HA2 0.441 4.401 3.960 -0.000 0.000 0.297 4074 G HA3 0.441 4.401 3.960 -0.000 0.000 0.297 4074 G C -3.592 171.173 174.900 -0.225 0.000 1.344 4074 G CA -0.870 44.177 45.100 -0.089 0.000 0.851 4074 G HN 0.561 nan 8.290 nan 0.000 0.567 4075 P HA 0.185 nan 4.420 nan 0.000 0.269 4075 P C 1.226 178.438 177.300 -0.146 0.000 1.217 4075 P CA -0.072 62.888 63.100 -0.233 0.000 0.783 4075 P CB 0.892 32.467 31.700 -0.207 0.000 0.898 4076 C N 1.344 120.583 119.300 -0.102 0.000 2.432 4076 C HA -0.028 4.432 4.460 -0.000 0.000 0.277 4076 C C 1.047 176.040 174.990 0.004 0.000 1.249 4076 C CA 1.816 60.790 59.018 -0.073 0.000 1.725 4076 C CB -1.371 26.362 27.740 -0.012 0.000 2.028 4076 C HN 0.754 nan 8.230 nan 0.000 0.477 4077 S N -0.440 115.323 115.700 0.106 0.000 2.607 4077 S HA 0.704 5.174 4.470 -0.000 0.000 0.273 4077 S C -1.219 173.544 174.600 0.272 0.000 1.148 4077 S CA -0.748 57.605 58.200 0.255 0.000 0.833 4077 S CB 1.211 64.648 63.200 0.395 0.000 1.130 4077 S HN 0.213 nan 8.310 nan 0.000 0.470 4078 I N 3.531 124.304 120.570 0.339 0.000 2.355 4078 I HA 0.354 4.524 4.170 -0.000 0.000 0.288 4078 I C 0.735 177.065 176.117 0.355 0.000 0.999 4078 I CA -0.409 61.038 61.300 0.246 0.000 1.163 4078 I CB 0.949 39.062 38.000 0.189 0.000 1.316 4078 I HN 1.072 nan 8.210 nan 0.000 0.454 4079 H N 2.836 121.901 119.070 -0.007 0.000 3.046 4079 H HA 0.267 4.823 4.556 -0.000 0.000 0.262 4079 H C -0.554 174.683 175.328 -0.152 0.000 1.044 4079 H CA -0.220 55.692 56.048 -0.225 0.000 1.209 4079 H CB 1.257 30.458 29.762 -0.935 0.000 1.507 4079 H HN 0.442 nan 8.280 nan 0.000 0.507 4080 D N 1.656 121.654 120.400 -0.671 0.000 2.469 4080 D HA 0.166 4.806 4.640 -0.000 0.000 0.251 4080 D C 1.181 177.340 176.300 -0.235 0.000 1.173 4080 D CA -0.453 53.250 54.000 -0.495 0.000 0.882 4080 D CB 1.354 41.719 40.800 -0.724 0.000 1.129 4080 D HN 0.072 nan 8.370 nan 0.000 0.549 4081 L N 2.428 123.590 121.223 -0.102 0.000 2.046 4081 L HA -0.166 4.174 4.340 -0.000 0.000 0.208 4081 L C 1.718 178.573 176.870 -0.025 0.000 1.077 4081 L CA 1.140 55.962 54.840 -0.031 0.000 0.747 4081 L CB -0.280 41.784 42.059 0.008 0.000 0.896 4081 L HN 0.357 nan 8.230 nan 0.000 0.432 4082 E N 0.767 120.956 120.200 -0.018 0.000 2.031 4082 E HA -0.176 4.174 4.350 -0.000 0.000 0.193 4082 E C 2.307 178.928 176.600 0.035 0.000 0.994 4082 E CA 1.507 57.925 56.400 0.031 0.000 0.800 4082 E CB -0.486 29.260 29.700 0.077 0.000 0.752 4082 E HN 0.422 nan 8.360 nan 0.000 0.447 4083 A N 1.052 123.837 122.820 -0.059 0.000 1.908 4083 A HA -0.136 4.184 4.320 -0.000 0.000 0.218 4083 A C 2.382 179.896 177.584 -0.116 0.000 1.181 4083 A CA 2.111 54.009 52.037 -0.232 0.000 0.627 4083 A CB -0.932 17.680 19.000 -0.645 0.000 0.818 4083 A HN 0.283 nan 8.150 nan 0.000 0.445 4084 A N -1.269 121.493 122.820 -0.097 0.000 1.933 4084 A HA -0.192 4.128 4.320 -0.000 0.000 0.218 4084 A C 2.135 179.746 177.584 0.046 0.000 1.175 4084 A CA 2.094 54.118 52.037 -0.022 0.000 0.628 4084 A CB -0.454 18.537 19.000 -0.015 0.000 0.814 4084 A HN 0.516 nan 8.150 nan 0.000 0.444 4085 Q N -0.181 119.633 119.800 0.024 0.000 2.079 4085 Q HA -0.144 4.196 4.340 -0.000 0.000 0.200 4085 Q C 1.966 177.968 176.000 0.003 0.000 0.974 4085 Q CA 2.033 57.849 55.803 0.022 0.000 0.840 4085 Q CB -0.291 28.458 28.738 0.017 0.000 0.898 4085 Q HN 0.782 nan 8.270 nan 0.000 0.430 4086 E N -1.331 118.876 120.200 0.011 0.000 2.031 4086 E HA -0.244 4.106 4.350 -0.000 0.000 0.193 4086 E C 1.816 178.346 176.600 -0.116 0.000 0.994 4086 E CA 1.192 57.574 56.400 -0.032 0.000 0.800 4086 E CB -0.342 29.381 29.700 0.039 0.000 0.752 4086 E HN 0.511 nan 8.360 nan 0.000 0.447 4087 Y N 0.827 121.019 120.300 -0.181 0.000 2.114 4087 Y HA -0.305 4.245 4.550 -0.000 0.000 0.282 4087 Y C 2.080 177.849 175.900 -0.219 0.000 1.165 4087 Y CA 2.069 60.027 58.100 -0.236 0.000 1.148 4087 Y CB -0.558 37.836 38.460 -0.109 0.000 0.972 4087 Y HN 0.162 nan 8.280 nan 0.000 0.504 4088 A N 0.148 122.978 122.820 0.016 0.000 1.883 4088 A HA -0.204 4.116 4.320 -0.000 0.000 0.217 4088 A C 2.125 179.627 177.584 -0.137 0.000 1.186 4088 A CA 1.900 53.923 52.037 -0.022 0.000 0.624 4088 A CB -1.104 17.915 19.000 0.031 0.000 0.822 4088 A HN 0.471 nan 8.150 nan 0.000 0.444 4089 L N -0.155 120.976 121.223 -0.153 0.000 2.012 4089 L HA -0.171 4.169 4.340 -0.000 0.000 0.210 4089 L C 2.658 179.383 176.870 -0.242 0.000 1.073 4089 L CA 1.996 56.741 54.840 -0.158 0.000 0.748 4089 L CB -1.421 40.556 42.059 -0.137 0.000 0.891 4089 L HN 0.435 nan 8.230 nan 0.000 0.431 4090 R N -0.939 119.292 120.500 -0.449 0.000 2.083 4090 R HA -0.206 4.134 4.340 -0.000 0.000 0.237 4090 R C 2.130 178.206 176.300 -0.373 0.000 1.137 4090 R CA 1.264 56.978 56.100 -0.645 0.000 0.951 4090 R CB -0.734 28.625 30.300 -1.570 0.000 0.851 4090 R HN 0.193 nan 8.270 nan 0.000 0.434 4091 L N 1.618 122.613 121.223 -0.379 0.000 2.083 4091 L HA -0.145 4.195 4.340 -0.000 0.000 0.209 4091 L C 2.209 179.080 176.870 0.001 0.000 1.083 4091 L CA 1.795 56.637 54.840 0.002 0.000 0.752 4091 L CB -0.406 41.618 42.059 -0.058 0.000 0.899 4091 L HN -0.075 nan 8.230 nan 0.000 0.433 4092 K N 0.262 120.628 120.400 -0.056 0.000 2.057 4092 K HA -0.231 4.089 4.320 -0.000 0.000 0.207 4092 K C 2.218 178.808 176.600 -0.018 0.000 1.049 4092 K CA 1.906 58.175 56.287 -0.031 0.000 0.931 4092 K CB -0.307 32.167 32.500 -0.043 0.000 0.714 4092 K HN 0.379 nan 8.250 nan 0.000 0.440 4093 K N -0.047 120.336 120.400 -0.028 0.000 2.031 4093 K HA -0.089 4.231 4.320 -0.000 0.000 0.205 4093 K C 2.170 178.787 176.600 0.029 0.000 1.049 4093 K CA 1.324 57.607 56.287 -0.007 0.000 0.939 4093 K CB -0.280 32.206 32.500 -0.022 0.000 0.717 4093 K HN 0.210 nan 8.250 nan 0.000 0.438 4094 L N 0.884 122.154 121.223 0.078 0.000 2.127 4094 L HA -0.170 4.170 4.340 -0.000 0.000 0.211 4094 L C 2.363 179.260 176.870 0.045 0.000 1.089 4094 L CA 1.637 56.537 54.840 0.099 0.000 0.757 4094 L CB -0.420 41.758 42.059 0.198 0.000 0.899 4094 L HN 0.211 nan 8.230 nan 0.000 0.434 4095 S N -0.680 115.041 115.700 0.035 0.000 2.368 4095 S HA -0.205 4.265 4.470 -0.000 0.000 0.224 4095 S C 1.689 176.291 174.600 0.003 0.000 1.029 4095 S CA 1.550 59.757 58.200 0.012 0.000 0.988 4095 S CB -0.387 62.817 63.200 0.006 0.000 0.838 4095 S HN 0.564 nan 8.310 nan 0.000 0.462 4096 D N 1.001 121.404 120.400 0.004 0.000 2.178 4096 D HA -0.107 4.533 4.640 -0.000 0.000 0.201 4096 D C 1.932 178.232 176.300 0.001 0.000 0.980 4096 D CA 1.073 55.073 54.000 0.000 0.000 0.842 4096 D CB -0.400 40.400 40.800 -0.001 0.000 0.948 4096 D HN 0.704 nan 8.370 nan 0.000 0.472 4097 E N 0.335 120.539 120.200 0.006 0.000 2.047 4097 E HA -0.113 4.237 4.350 -0.000 0.000 0.191 4097 E C 1.739 178.338 176.600 -0.001 0.000 0.987 4097 E CA 0.639 57.042 56.400 0.005 0.000 0.799 4097 E CB 0.026 29.733 29.700 0.011 0.000 0.752 4097 E HN 0.234 nan 8.360 nan 0.000 0.449 4098 L N 1.104 122.325 121.223 -0.003 0.000 2.607 4098 L HA 0.115 4.455 4.340 -0.000 0.000 0.228 4098 L C 2.128 178.991 176.870 -0.012 0.000 1.123 4098 L CA 0.105 54.939 54.840 -0.010 0.000 0.890 4098 L CB -0.137 41.912 42.059 -0.017 0.000 1.103 4098 L HN 0.079 nan 8.230 nan 0.000 0.468 4099 K N 0.770 121.164 120.400 -0.009 0.000 2.293 4099 K HA -0.156 4.164 4.320 -0.000 0.000 0.204 4099 K C 1.792 178.385 176.600 -0.012 0.000 1.045 4099 K CA 1.585 57.865 56.287 -0.011 0.000 0.933 4099 K CB -0.611 31.884 32.500 -0.008 0.000 0.736 4099 K HN 0.261 nan 8.250 nan 0.000 0.463 4100 G N 0.741 109.535 108.800 -0.010 0.000 2.572 4100 G HA2 -0.128 3.832 3.960 -0.000 0.000 0.216 4100 G HA3 -0.128 3.832 3.960 -0.000 0.000 0.216 4100 G C 0.738 175.631 174.900 -0.011 0.000 1.133 4100 G CA 0.644 45.738 45.100 -0.009 0.000 0.791 4100 G HN 0.379 nan 8.290 nan 0.000 0.538 4101 D N -0.841 119.551 120.400 -0.014 0.000 2.461 4101 D HA 0.194 4.834 4.640 -0.000 0.000 0.266 4101 D C 0.753 177.040 176.300 -0.023 0.000 1.085 4101 D CA 0.096 54.087 54.000 -0.016 0.000 0.887 4101 D CB 0.939 41.730 40.800 -0.014 0.000 1.309 4101 D HN 0.201 nan 8.370 nan 0.000 0.498 4102 L N 0.317 121.525 121.223 -0.026 0.000 2.354 4102 L HA 0.469 4.809 4.340 -0.000 0.000 0.269 4102 L C -0.265 176.584 176.870 -0.035 0.000 1.005 4102 L CA -0.716 54.102 54.840 -0.035 0.000 0.819 4102 L CB 2.555 44.590 42.059 -0.040 0.000 1.311 4102 L HN -0.235 nan 8.230 nan 0.000 0.423 4103 S N 2.576 118.249 115.700 -0.045 0.000 2.601 4103 S HA 0.594 5.064 4.470 -0.000 0.000 0.312 4103 S C -0.564 174.004 174.600 -0.054 0.000 1.107 4103 S CA -0.491 57.684 58.200 -0.043 0.000 1.129 4103 S CB 0.116 63.290 63.200 -0.043 0.000 0.982 4103 S HN 0.405 nan 8.310 nan 0.000 0.469 4104 I N 5.562 126.106 120.570 -0.043 0.000 2.396 4104 I HA 0.483 4.653 4.170 -0.000 0.000 0.292 4104 I C -0.256 175.837 176.117 -0.041 0.000 0.999 4104 I CA -0.561 60.712 61.300 -0.045 0.000 1.310 4104 I CB 1.341 39.327 38.000 -0.023 0.000 1.404 4104 I HN 0.487 nan 8.210 nan 0.000 0.496 4105 I N 6.054 126.590 120.570 -0.055 0.000 2.582 4105 I HA 0.356 4.526 4.170 -0.000 0.000 0.292 4105 I C -0.386 175.717 176.117 -0.023 0.000 1.066 4105 I CA -0.626 60.644 61.300 -0.049 0.000 1.053 4105 I CB 2.213 40.163 38.000 -0.082 0.000 1.241 4105 I HN 0.559 nan 8.210 nan 0.000 0.421 4106 M N 5.459 125.064 119.600 0.007 0.000 2.216 4106 M HA 0.397 4.877 4.480 -0.000 0.000 0.356 4106 M C -0.236 176.100 176.300 0.060 0.000 1.205 4106 M CA -0.301 55.037 55.300 0.063 0.000 1.122 4106 M CB 0.757 33.411 32.600 0.091 0.000 1.571 4106 M HN 0.488 nan 8.290 nan 0.000 0.464 4107 R N 3.496 124.050 120.500 0.090 0.000 2.351 4107 R HA 0.304 4.644 4.340 -0.000 0.000 0.318 4107 R C -0.587 175.822 176.300 0.183 0.000 1.055 4107 R CA 0.023 56.228 56.100 0.176 0.000 0.968 4107 R CB 0.342 30.651 30.300 0.015 0.000 0.974 4107 R HN 0.727 nan 8.270 nan 0.000 0.439 4108 A N 4.892 127.862 122.820 0.250 0.000 3.204 4108 A HA 0.268 4.588 4.320 -0.000 0.000 0.327 4108 A C -1.181 176.620 177.584 0.362 0.000 0.998 4108 A CA -0.567 51.570 52.037 0.166 0.000 0.891 4108 A CB 0.235 19.120 19.000 -0.191 0.000 1.061 4108 A HN 0.560 nan 8.150 nan 0.000 0.478 4109 Y N 0.371 120.755 120.300 0.140 0.000 2.335 4109 Y HA 0.375 4.925 4.550 -0.000 0.000 0.323 4109 Y C 1.176 177.180 175.900 0.172 0.000 1.224 4109 Y CA -0.954 57.243 58.100 0.162 0.000 1.241 4109 Y CB 0.911 39.444 38.460 0.122 0.000 1.235 4109 Y HN 0.327 nan 8.280 nan 0.000 0.492 4110 L N 0.243 121.619 121.223 0.257 0.000 2.515 4110 L HA 0.300 4.640 4.340 -0.000 0.000 0.223 4110 L C 0.220 177.079 176.870 -0.018 0.000 1.079 4110 L CA 0.718 55.632 54.840 0.123 0.000 0.857 4110 L CB -0.549 41.519 42.059 0.014 0.000 1.050 4110 L HN 0.689 nan 8.230 nan 0.000 0.476 4114 R N 0.338 120.837 120.500 -0.001 0.000 3.841 4114 R HA 0.080 4.420 4.340 -0.000 0.000 0.164 4114 R C 0.698 177.005 176.300 0.012 0.000 0.560 4114 R CA 1.929 58.029 56.100 0.001 0.000 0.881 4114 R CB -1.719 28.579 30.300 -0.003 0.000 1.050 4114 R HN 0.504 nan 8.270 nan 0.000 0.289 4115 T N -0.215 114.350 114.554 0.019 0.000 2.964 4115 T HA 0.195 4.545 4.350 -0.000 0.000 0.249 4115 T C 1.308 176.023 174.700 0.024 0.000 1.000 4115 T CA 0.986 63.101 62.100 0.025 0.000 0.992 4115 T CB 0.538 69.427 68.868 0.035 0.000 1.087 4115 T HN 0.977 nan 8.240 nan 0.000 0.489 4116 T N 0.318 114.888 114.554 0.026 0.000 7.410 4116 T HA -0.130 4.220 4.350 -0.000 0.000 0.295 4116 T C -0.338 174.382 174.700 0.034 0.000 2.120 4116 T CA 0.697 62.814 62.100 0.028 0.000 3.590 4116 T CB -0.922 67.960 68.868 0.023 0.000 1.202 4116 T HN 0.204 nan 8.240 nan 0.000 0.602 4117 V N 1.832 121.767 119.914 0.035 0.000 2.384 4117 V HA 0.793 4.913 4.120 -0.000 0.000 0.287 4117 V C 0.600 176.723 176.094 0.048 0.000 1.020 4117 V CA 0.390 62.713 62.300 0.038 0.000 0.850 4117 V CB 0.796 32.639 31.823 0.033 0.000 0.987 4117 V HN 1.178 nan 8.190 nan 0.000 0.436 4118 G N 3.406 112.241 108.800 0.059 0.000 2.357 4118 G HA2 0.044 4.004 3.960 -0.000 0.000 0.643 4118 G HA3 0.044 4.004 3.960 -0.000 0.000 0.643 4118 G C -1.293 173.688 174.900 0.134 0.000 1.358 4118 G CA -0.784 44.371 45.100 0.092 0.000 0.986 4118 G HN 1.073 nan 8.290 nan 0.000 0.620 4119 W N 1.571 122.848 121.300 -0.039 0.000 2.295 4119 W HA 0.470 5.130 4.660 -0.000 0.000 0.335 4119 W C 1.332 177.838 176.519 -0.023 0.000 1.351 4119 W CA 1.068 58.384 57.345 -0.049 0.000 1.273 4119 W CB 0.269 29.691 29.460 -0.064 0.000 1.214 4119 W HN 1.278 nan 8.180 nan 0.000 0.563 4120 K N 5.029 125.218 120.400 -0.352 0.000 2.504 4120 K HA 0.403 4.723 4.320 -0.000 0.000 0.195 4120 K C 0.993 177.152 176.600 -0.736 0.000 1.036 4120 K CA 1.026 57.076 56.287 -0.395 0.000 0.984 4120 K CB -0.811 31.576 32.500 -0.187 0.000 0.788 4120 K HN 1.630 nan 8.250 nan 0.000 0.488 4121 G N -1.315 106.441 108.800 -1.740 0.000 2.570 4121 G HA2 0.019 3.979 3.960 -0.000 0.000 0.686 4121 G HA3 0.019 3.979 3.960 -0.000 0.000 0.686 4121 G C 0.161 174.361 174.900 -1.166 0.000 1.257 4121 G CA -0.133 43.920 45.100 -1.745 0.000 0.846 4121 G HN 0.739 nan 8.290 nan 0.000 0.627 4122 L N 0.654 121.549 121.223 -0.548 0.000 2.131 4122 L HA 0.146 4.486 4.340 -0.000 0.000 0.210 4122 L C 2.709 179.570 176.870 -0.015 0.000 1.092 4122 L CA 2.327 57.224 54.840 0.095 0.000 0.759 4122 L CB -0.553 41.644 42.059 0.230 0.000 0.903 4122 L HN 0.646 nan 8.230 nan 0.000 0.435 4123 I N -0.930 119.569 120.570 -0.118 0.000 2.286 4123 I HA -0.246 3.924 4.170 -0.000 0.000 0.245 4123 I C 1.838 177.911 176.117 -0.073 0.000 1.104 4123 I CA 1.456 62.692 61.300 -0.108 0.000 1.397 4123 I CB -0.337 37.582 38.000 -0.135 0.000 1.072 4123 I HN 0.339 nan 8.210 nan 0.000 0.417 4124 N N -0.088 118.558 118.700 -0.089 0.000 2.220 4124 N HA -0.109 4.631 4.740 -0.000 0.000 0.182 4124 N C 0.529 176.030 175.510 -0.015 0.000 1.023 4124 N CA 0.748 53.807 53.050 0.015 0.000 0.856 4124 N CB 0.239 38.765 38.487 0.065 0.000 0.997 4124 N HN 0.082 nan 8.380 nan 0.000 0.429 4125 D N 0.055 120.398 120.400 -0.096 0.000 2.634 4125 D HA 0.169 4.809 4.640 -0.000 0.000 0.318 4125 D C -1.921 174.533 176.300 0.257 0.000 1.226 4125 D CA -2.392 51.612 54.000 0.006 0.000 0.899 4125 D CB 0.732 41.517 40.800 -0.025 0.000 1.025 4125 D HN 0.070 nan 8.370 nan 0.000 0.501 4126 P HA -0.093 nan 4.420 nan 0.000 0.220 4126 P C 0.463 177.864 177.300 0.169 0.000 1.148 4126 P CA 0.848 64.063 63.100 0.192 0.000 0.803 4126 P CB 0.570 32.324 31.700 0.091 0.000 0.782 4127 D N -0.481 119.988 120.400 0.115 0.000 2.349 4127 D HA 0.033 4.673 4.640 -0.000 0.000 0.224 4127 D C 0.618 176.947 176.300 0.049 0.000 1.029 4127 D CA 0.128 54.165 54.000 0.062 0.000 0.879 4127 D CB -0.036 40.782 40.800 0.030 0.000 0.906 4127 D HN -0.104 nan 8.370 nan 0.000 0.528 4128 V N 1.944 121.935 119.914 0.127 0.000 5.479 4128 V HA -0.298 3.822 4.120 -0.000 0.000 0.289 4128 V C 0.573 176.661 176.094 -0.010 0.000 0.595 4128 V CA 1.465 63.776 62.300 0.019 0.000 0.649 4128 V CB -2.467 29.192 31.823 -0.273 0.000 0.390 4128 V HN 0.584 nan 8.190 nan 0.000 0.974 4129 N N -1.044 117.665 118.700 0.015 0.000 2.466 4129 N HA 0.362 5.102 4.740 -0.000 0.000 0.272 4129 N C 0.528 176.012 175.510 -0.044 0.000 1.455 4129 N CA 0.323 53.363 53.050 -0.017 0.000 0.875 4129 N CB 0.448 38.925 38.487 -0.016 0.000 1.372 4129 N HN 1.111 nan 8.380 nan 0.000 0.492 4130 N N -0.140 118.525 118.700 -0.058 0.000 2.721 4130 N HA -0.210 4.530 4.740 -0.000 0.000 0.249 4130 N C 0.237 175.578 175.510 -0.281 0.000 1.072 4130 N CA 1.711 54.670 53.050 -0.151 0.000 0.710 4130 N CB -2.473 35.971 38.487 -0.071 0.000 0.993 4130 N HN 0.798 nan 8.380 nan 0.000 0.547 4131 T N -4.168 110.188 114.554 -0.330 0.000 2.807 4131 T HA 0.856 5.206 4.350 -0.000 0.000 0.277 4131 T C -0.545 173.809 174.700 -0.577 0.000 1.006 4131 T CA -0.677 61.235 62.100 -0.314 0.000 1.006 4131 T CB 1.593 70.412 68.868 -0.080 0.000 1.274 4131 T HN 0.637 nan 8.240 nan 0.000 0.569 4132 F N 0.879 120.835 119.950 0.011 0.000 2.547 4132 F HA 0.648 5.175 4.527 -0.000 0.000 0.316 4132 F C 0.214 176.010 175.800 -0.006 0.000 1.121 4132 F CA -0.866 57.131 58.000 -0.005 0.000 0.911 4132 F CB 2.016 41.004 39.000 -0.020 0.000 1.179 4132 F HN 0.610 nan 8.300 nan 0.000 0.443 4133 N N 3.779 122.570 118.700 0.151 0.000 2.824 4133 N HA 0.256 4.996 4.740 -0.000 0.000 0.224 4133 N C 0.268 175.803 175.510 0.043 0.000 1.418 4133 N CA -0.009 53.089 53.050 0.081 0.000 0.743 4133 N CB 0.349 38.866 38.487 0.050 0.000 1.395 4133 N HN 0.638 nan 8.380 nan 0.000 0.548 4134 I N 0.447 121.038 120.570 0.034 0.000 2.286 4134 I HA -0.232 3.938 4.170 -0.000 0.000 0.248 4134 I C 1.810 177.883 176.117 -0.073 0.000 1.115 4134 I CA 0.661 61.945 61.300 -0.027 0.000 1.392 4134 I CB 0.002 37.978 38.000 -0.039 0.000 1.065 4134 I HN 0.404 nan 8.210 nan 0.000 0.418 4135 N N 1.087 119.761 118.700 -0.044 0.000 2.104 4135 N HA -0.233 4.507 4.740 -0.000 0.000 0.190 4135 N C 1.848 177.330 175.510 -0.047 0.000 1.024 4135 N CA 1.342 54.362 53.050 -0.050 0.000 0.853 4135 N CB -0.224 38.257 38.487 -0.009 0.000 1.008 4135 N HN 0.409 nan 8.380 nan 0.000 0.424 4136 K N 0.613 121.001 120.400 -0.021 0.000 2.155 4136 K HA -0.032 4.288 4.320 -0.000 0.000 0.203 4136 K C 1.996 178.582 176.600 -0.023 0.000 1.052 4136 K CA 1.067 57.347 56.287 -0.011 0.000 0.948 4136 K CB -0.189 32.317 32.500 0.009 0.000 0.728 4136 K HN 0.087 nan 8.250 nan 0.000 0.448 4137 G N 1.552 110.331 108.800 -0.035 0.000 2.418 4137 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.217 4137 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.217 4137 G C 1.472 176.312 174.900 -0.101 0.000 1.158 4137 G CA 0.632 45.705 45.100 -0.045 0.000 0.771 4137 G HN 0.200 nan 8.290 nan 0.000 0.545 4138 L N -0.032 121.091 121.223 -0.166 0.000 2.083 4138 L HA -0.149 4.191 4.340 -0.000 0.000 0.209 4138 L C 3.177 179.956 176.870 -0.151 0.000 1.083 4138 L CA 1.245 55.934 54.840 -0.251 0.000 0.752 4138 L CB -0.462 41.324 42.059 -0.456 0.000 0.899 4138 L HN 0.310 nan 8.230 nan 0.000 0.433 4139 Q N -0.568 119.181 119.800 -0.086 0.000 2.046 4139 Q HA -0.156 4.184 4.340 -0.000 0.000 0.200 4139 Q C 2.431 178.413 176.000 -0.030 0.000 0.975 4139 Q CA 1.819 57.600 55.803 -0.035 0.000 0.836 4139 Q CB -0.157 28.575 28.738 -0.011 0.000 0.896 4139 Q HN 0.434 nan 8.270 nan 0.000 0.428 4140 S N 1.119 116.803 115.700 -0.026 0.000 2.368 4140 S HA -0.175 4.295 4.470 -0.000 0.000 0.225 4140 S C 2.129 176.718 174.600 -0.020 0.000 1.030 4140 S CA 1.047 59.246 58.200 -0.002 0.000 0.999 4140 S CB -0.367 62.846 63.200 0.023 0.000 0.844 4140 S HN 0.495 nan 8.310 nan 0.000 0.459 4141 A N 1.906 124.673 122.820 -0.089 0.000 1.877 4141 A HA -0.135 4.185 4.320 -0.000 0.000 0.216 4141 A C 2.125 179.525 177.584 -0.306 0.000 1.186 4141 A CA 1.705 53.614 52.037 -0.214 0.000 0.620 4141 A CB -0.588 18.212 19.000 -0.334 0.000 0.822 4141 A HN 0.428 nan 8.150 nan 0.000 0.443 4142 R N -1.073 119.298 120.500 -0.215 0.000 2.081 4142 R HA -0.203 4.137 4.340 -0.000 0.000 0.235 4142 R C 2.439 178.754 176.300 0.025 0.000 1.131 4142 R CA 1.857 57.887 56.100 -0.118 0.000 0.960 4142 R CB -0.264 30.016 30.300 -0.033 0.000 0.856 4142 R HN 0.542 nan 8.270 nan 0.000 0.436 4143 Q N 0.707 120.523 119.800 0.027 0.000 2.061 4143 Q HA -0.180 4.160 4.340 -0.000 0.000 0.204 4143 Q C 1.960 178.023 176.000 0.105 0.000 0.984 4143 Q CA 1.738 57.577 55.803 0.060 0.000 0.846 4143 Q CB -0.454 28.308 28.738 0.041 0.000 0.902 4143 Q HN 0.358 nan 8.270 nan 0.000 0.421 4144 L N -0.465 120.834 121.223 0.127 0.000 1.990 4144 L HA -0.157 4.183 4.340 -0.000 0.000 0.213 4144 L C 1.917 178.971 176.870 0.307 0.000 1.072 4144 L CA 1.917 56.877 54.840 0.199 0.000 0.755 4144 L CB -0.940 41.265 42.059 0.243 0.000 0.889 4144 L HN 0.240 nan 8.230 nan 0.000 0.432 4145 F N -0.751 119.215 119.950 0.027 0.000 2.126 4145 F HA -0.171 4.356 4.527 -0.000 0.000 0.299 4145 F C 2.504 178.316 175.800 0.019 0.000 1.096 4145 F CA 1.413 59.426 58.000 0.021 0.000 1.255 4145 F CB -1.320 37.690 39.000 0.016 0.000 0.997 4145 F HN -0.052 nan 8.300 nan 0.000 0.479 4146 V N 0.283 120.330 119.914 0.221 0.000 2.270 4146 V HA -0.295 3.825 4.120 -0.000 0.000 0.245 4146 V C 2.231 178.375 176.094 0.083 0.000 1.043 4146 V CA 1.894 64.267 62.300 0.122 0.000 1.014 4146 V CB -0.726 31.154 31.823 0.095 0.000 0.645 4146 V HN 0.263 nan 8.190 nan 0.000 0.447 4147 N N 0.483 119.234 118.700 0.085 0.000 2.060 4147 N HA -0.188 4.552 4.740 -0.000 0.000 0.195 4147 N C 1.746 177.282 175.510 0.042 0.000 1.028 4147 N CA 1.730 54.815 53.050 0.058 0.000 0.861 4147 N CB -0.611 37.912 38.487 0.060 0.000 1.029 4147 N HN 0.406 nan 8.380 nan 0.000 0.428 4148 L N 0.323 121.573 121.223 0.045 0.000 2.005 4148 L HA -0.115 4.225 4.340 -0.000 0.000 0.207 4148 L C 2.468 179.336 176.870 -0.003 0.000 1.072 4148 L CA 1.656 56.505 54.840 0.015 0.000 0.744 4148 L CB -1.177 40.878 42.059 -0.007 0.000 0.895 4148 L HN 0.317 nan 8.230 nan 0.000 0.433 4149 T N -3.529 111.022 114.554 -0.006 0.000 2.915 4149 T HA -0.198 4.152 4.350 -0.000 0.000 0.269 4149 T C 1.631 176.333 174.700 0.004 0.000 1.071 4149 T CA 1.311 63.404 62.100 -0.011 0.000 1.132 4149 T CB -0.657 68.206 68.868 -0.008 0.000 0.878 4149 T HN 0.356 nan 8.240 nan 0.000 0.479 4150 N N 1.718 120.427 118.700 0.016 0.000 2.364 4150 N HA -0.065 4.675 4.740 -0.000 0.000 0.183 4150 N C 1.678 177.192 175.510 0.007 0.000 1.022 4150 N CA 1.338 54.398 53.050 0.016 0.000 0.883 4150 N CB -0.194 38.306 38.487 0.022 0.000 0.965 4150 N HN 0.773 nan 8.380 nan 0.000 0.438 4151 I N -3.666 116.905 120.570 0.002 0.000 3.855 4151 I HA 0.383 4.553 4.170 -0.000 0.000 0.327 4151 I C 0.893 177.005 176.117 -0.008 0.000 1.359 4151 I CA 0.157 61.454 61.300 -0.005 0.000 1.142 4151 I CB 0.064 38.057 38.000 -0.011 0.000 1.041 4151 I HN -0.011 nan 8.210 nan 0.000 0.403 4152 G N 2.048 110.844 108.800 -0.006 0.000 2.143 4152 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.249 4152 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.249 4152 G C -0.305 174.588 174.900 -0.012 0.000 0.981 4152 G CA 0.255 45.350 45.100 -0.008 0.000 0.665 4152 G HN 0.434 nan 8.290 nan 0.000 0.528 4153 L N 1.691 122.905 121.223 -0.015 0.000 2.276 4153 L HA 0.662 5.002 4.340 -0.000 0.000 0.286 4153 L C -2.027 174.824 176.870 -0.031 0.000 1.024 4153 L CA -2.332 52.497 54.840 -0.018 0.000 0.826 4153 L CB 1.134 43.187 42.059 -0.011 0.000 1.211 4153 L HN -0.130 nan 8.230 nan 0.000 0.422 4154 P HA 0.206 nan 4.420 nan 0.000 0.269 4154 P C -0.867 176.388 177.300 -0.075 0.000 1.209 4154 P CA 0.123 63.192 63.100 -0.052 0.000 0.776 4154 P CB 0.527 32.206 31.700 -0.035 0.000 0.876 4155 I N -1.235 119.255 120.570 -0.133 0.000 2.892 4155 I HA 0.928 5.098 4.170 -0.000 0.000 0.306 4155 I C -0.329 175.692 176.117 -0.161 0.000 1.078 4155 I CA -1.104 60.088 61.300 -0.181 0.000 1.032 4155 I CB 2.613 40.391 38.000 -0.370 0.000 1.229 4155 I HN 0.344 nan 8.210 nan 0.000 0.435 4156 G N 1.259 110.020 108.800 -0.064 0.000 2.571 4156 G HA2 0.639 4.599 3.960 -0.000 0.000 0.304 4156 G HA3 0.639 4.599 3.960 -0.000 0.000 0.304 4156 G C -1.689 173.223 174.900 0.021 0.000 1.314 4156 G CA -0.560 44.611 45.100 0.119 0.000 0.975 4156 G HN 0.783 nan 8.290 nan 0.000 0.485 4157 S N -0.603 114.992 115.700 -0.175 0.000 2.638 4157 S HA 0.535 5.005 4.470 -0.000 0.000 0.274 4157 S C -1.168 172.997 174.600 -0.724 0.000 1.157 4157 S CA -0.664 57.187 58.200 -0.581 0.000 0.826 4157 S CB 1.905 65.018 63.200 -0.146 0.000 1.139 4157 S HN 0.715 nan 8.310 nan 0.000 0.474 4158 E N 1.729 121.342 120.200 -0.979 0.000 2.331 4158 E HA 0.260 4.610 4.350 -0.000 0.000 0.272 4158 E C -0.619 175.846 176.600 -0.225 0.000 1.036 4158 E CA -0.474 55.645 56.400 -0.469 0.000 0.864 4158 E CB 0.510 30.066 29.700 -0.240 0.000 1.035 4158 E HN 0.505 nan 8.360 nan 0.000 0.408 4159 M N 6.236 125.748 119.600 -0.147 0.000 2.261 4159 M HA 0.086 4.566 4.480 -0.000 0.000 0.349 4159 M C 0.294 176.604 176.300 0.017 0.000 1.305 4159 M CA -0.137 55.129 55.300 -0.058 0.000 1.240 4159 M CB 0.184 32.742 32.600 -0.069 0.000 1.394 4159 M HN 0.590 nan 8.290 nan 0.000 0.438 4160 L N 1.633 122.865 121.223 0.015 0.000 2.005 4160 L HA -0.114 4.226 4.340 -0.000 0.000 0.207 4160 L C 0.788 177.733 176.870 0.126 0.000 1.072 4160 L CA 1.698 56.582 54.840 0.073 0.000 0.744 4160 L CB -0.758 41.312 42.059 0.019 0.000 0.895 4160 L HN 0.656 nan 8.230 nan 0.000 0.433 4161 D N -4.388 116.004 120.400 -0.013 0.000 2.837 4161 D HA 0.288 4.928 4.640 -0.000 0.000 0.294 4161 D C 0.542 176.751 176.300 -0.151 0.000 1.158 4161 D CA 0.044 53.979 54.000 -0.109 0.000 1.073 4161 D CB 0.410 41.191 40.800 -0.033 0.000 1.419 4161 D HN -0.066 nan 8.370 nan 0.000 0.584 4162 T N -2.522 111.955 114.554 -0.127 0.000 3.107 4162 T HA 0.254 4.604 4.350 -0.000 0.000 0.249 4162 T C 1.333 176.033 174.700 0.000 0.000 1.096 4162 T CA 0.107 62.162 62.100 -0.076 0.000 1.012 4162 T CB -0.451 68.386 68.868 -0.052 0.000 0.977 4162 T HN 0.405 nan 8.240 nan 0.000 0.527 4163 I N 1.618 122.204 120.570 0.028 0.000 2.899 4163 I HA 0.020 4.190 4.170 -0.000 0.000 0.257 4163 I C 2.811 179.048 176.117 0.200 0.000 1.115 4163 I CA 0.719 62.078 61.300 0.100 0.000 1.451 4163 I CB -0.229 37.840 38.000 0.116 0.000 1.251 4163 I HN 0.271 nan 8.210 nan 0.000 0.456 4164 S N 1.761 117.548 115.700 0.145 0.000 2.387 4164 S HA -0.090 4.380 4.470 -0.000 0.000 0.230 4164 S C -0.464 174.251 174.600 0.190 0.000 1.035 4164 S CA 1.137 59.430 58.200 0.155 0.000 1.014 4164 S CB -2.015 61.181 63.200 -0.006 0.000 0.836 4164 S HN 0.204 nan 8.310 nan 0.000 0.466 4165 P HA -0.087 nan 4.420 nan 0.000 0.216 4165 P C 1.680 179.046 177.300 0.109 0.000 1.150 4165 P CA 1.188 64.351 63.100 0.105 0.000 0.837 4165 P CB -0.188 31.558 31.700 0.076 0.000 0.786 4166 Q N -1.745 118.093 119.800 0.064 0.000 2.308 4166 Q HA -0.189 4.151 4.340 -0.000 0.000 0.209 4166 Q C 1.572 177.498 176.000 -0.123 0.000 0.985 4166 Q CA 1.504 57.269 55.803 -0.064 0.000 0.881 4166 Q CB -0.591 28.039 28.738 -0.181 0.000 0.917 4166 Q HN 0.488 nan 8.270 nan 0.000 0.443 4167 Y N -1.013 119.274 120.300 -0.022 0.000 2.523 4167 Y HA 0.041 4.591 4.550 -0.000 0.000 0.279 4167 Y C 1.817 177.687 175.900 -0.051 0.000 1.139 4167 Y CA 0.498 58.574 58.100 -0.040 0.000 1.296 4167 Y CB 0.422 38.840 38.460 -0.070 0.000 1.045 4167 Y HN -0.002 nan 8.280 nan 0.000 0.538 4168 L N -2.529 118.761 121.223 0.111 0.000 2.948 4168 L HA 0.359 4.699 4.340 -0.000 0.000 0.259 4168 L C 2.300 179.284 176.870 0.190 0.000 1.136 4168 L CA 0.470 55.371 54.840 0.102 0.000 0.959 4168 L CB -0.398 41.644 42.059 -0.028 0.000 1.370 4168 L HN -0.017 nan 8.230 nan 0.000 0.552 4169 A N 1.978 124.906 122.820 0.180 0.000 1.915 4169 A HA -0.322 3.998 4.320 -0.000 0.000 0.220 4169 A C 1.950 179.666 177.584 0.220 0.000 1.198 4169 A CA 2.552 54.745 52.037 0.261 0.000 0.647 4169 A CB -0.767 18.377 19.000 0.241 0.000 0.825 4169 A HN 0.652 nan 8.150 nan 0.000 0.456 4170 D N -0.064 120.426 120.400 0.149 0.000 2.311 4170 D HA -0.124 4.516 4.640 -0.000 0.000 0.212 4170 D C 1.443 177.803 176.300 0.100 0.000 0.972 4170 D CA 1.238 55.308 54.000 0.117 0.000 0.887 4170 D CB -0.455 40.394 40.800 0.081 0.000 0.915 4170 D HN 0.543 nan 8.370 nan 0.000 0.497 4171 L N 0.142 121.434 121.223 0.115 0.000 2.616 4171 L HA 0.185 4.525 4.340 -0.000 0.000 0.229 4171 L C 0.408 177.257 176.870 -0.036 0.000 1.110 4171 L CA -0.225 54.666 54.840 0.085 0.000 0.884 4171 L CB 0.815 42.994 42.059 0.201 0.000 1.115 4171 L HN -0.189 nan 8.230 nan 0.000 0.481 4172 V N -0.747 119.094 119.914 -0.121 0.000 2.567 4172 V HA 0.191 4.311 4.120 -0.000 0.000 0.289 4172 V C 0.917 176.701 176.094 -0.515 0.000 1.049 4172 V CA 0.057 62.106 62.300 -0.418 0.000 0.969 4172 V CB 1.710 33.114 31.823 -0.699 0.000 0.995 4172 V HN 0.092 nan 8.190 nan 0.000 0.471 4173 S N 2.441 117.907 115.700 -0.391 0.000 2.526 4173 S HA 0.348 4.818 4.470 -0.000 0.000 0.220 4173 S C -0.263 174.302 174.600 -0.059 0.000 1.017 4173 S CA 0.039 58.136 58.200 -0.171 0.000 0.930 4173 S CB 0.234 63.408 63.200 -0.042 0.000 0.856 4173 S HN 0.654 nan 8.310 nan 0.000 0.497 4174 F N 0.612 120.331 119.950 -0.385 0.000 2.615 4174 F HA 0.658 5.185 4.527 -0.000 0.000 0.312 4174 F C -0.686 175.004 175.800 -0.184 0.000 1.119 4174 F CA -0.567 57.363 58.000 -0.118 0.000 0.979 4174 F CB 0.853 39.863 39.000 0.016 0.000 1.266 4174 F HN -0.046 nan 8.300 nan 0.000 0.444 4175 G N 2.763 111.031 108.800 -0.888 0.000 2.542 4175 G HA2 0.782 4.742 3.960 -0.000 0.000 0.311 4175 G HA3 0.782 4.742 3.960 -0.000 0.000 0.311 4175 G C -2.014 172.179 174.900 -1.179 0.000 1.298 4175 G CA -0.619 44.063 45.100 -0.696 0.000 0.973 4175 G HN 1.067 nan 8.290 nan 0.000 0.487 4176 A N 1.687 124.072 122.820 -0.725 0.000 2.386 4176 A HA 0.756 5.076 4.320 -0.000 0.000 0.311 4176 A C -0.748 176.641 177.584 -0.324 0.000 1.068 4176 A CA -0.614 51.142 52.037 -0.468 0.000 0.743 4176 A CB 1.250 20.255 19.000 0.007 0.000 1.258 4176 A HN 0.550 nan 8.150 nan 0.000 0.429 4177 I N 2.622 122.975 120.570 -0.361 0.000 2.330 4177 I HA 0.320 4.490 4.170 -0.000 0.000 0.289 4177 I C 1.167 177.229 176.117 -0.091 0.000 1.001 4177 I CA -0.135 61.022 61.300 -0.240 0.000 1.193 4177 I CB 0.557 38.346 38.000 -0.352 0.000 1.345 4177 I HN 0.809 nan 8.210 nan 0.000 0.461 4178 G N 4.030 112.791 108.800 -0.066 0.000 2.630 4178 G HA2 0.240 4.200 3.960 -0.000 0.000 0.236 4178 G HA3 0.240 4.200 3.960 -0.000 0.000 0.236 4178 G C 1.002 175.878 174.900 -0.039 0.000 1.248 4178 G CA 0.232 45.306 45.100 -0.042 0.000 0.844 4178 G HN 0.802 nan 8.290 nan 0.000 0.588 4179 A N 1.469 124.272 122.820 -0.028 0.000 1.972 4179 A HA 0.066 4.386 4.320 -0.000 0.000 0.219 4179 A C 2.705 180.271 177.584 -0.031 0.000 1.169 4179 A CA 2.384 54.415 52.037 -0.011 0.000 0.635 4179 A CB -0.609 18.387 19.000 -0.006 0.000 0.810 4179 A HN 1.109 nan 8.150 nan 0.000 0.446 4180 R N -0.219 120.249 120.500 -0.053 0.000 2.316 4180 R HA 0.061 4.401 4.340 -0.000 0.000 0.202 4180 R C 1.681 177.912 176.300 -0.114 0.000 1.029 4180 R CA 1.911 57.972 56.100 -0.064 0.000 1.018 4180 R CB -1.446 28.822 30.300 -0.054 0.000 0.888 4180 R HN 0.872 nan 8.270 nan 0.000 0.471 4181 T N -6.115 108.338 114.554 -0.169 0.000 3.058 4181 T HA 0.079 4.429 4.350 -0.000 0.000 0.278 4181 T C 1.553 176.139 174.700 -0.190 0.000 0.974 4181 T CA 0.642 62.548 62.100 -0.322 0.000 0.893 4181 T CB 0.374 68.767 68.868 -0.791 0.000 1.138 4181 T HN 0.139 nan 8.240 nan 0.000 0.529 4182 T N 2.566 117.096 114.554 -0.040 0.000 2.849 4182 T HA -0.045 4.305 4.350 -0.000 0.000 0.270 4182 T C 1.597 176.288 174.700 -0.016 0.000 1.066 4182 T CA 1.400 63.552 62.100 0.087 0.000 1.130 4182 T CB -0.189 68.739 68.868 0.101 0.000 0.864 4182 T HN 0.551 nan 8.240 nan 0.000 0.481 4183 E N 0.762 120.934 120.200 -0.046 0.000 2.385 4183 E HA 0.086 4.436 4.350 -0.000 0.000 0.194 4183 E C 0.874 177.448 176.600 -0.043 0.000 1.013 4183 E CA -0.210 56.157 56.400 -0.055 0.000 0.866 4183 E CB 0.202 29.877 29.700 -0.043 0.000 0.832 4183 E HN 0.201 nan 8.360 nan 0.000 0.500 4184 S N 1.126 116.805 115.700 -0.035 0.000 2.515 4184 S HA -0.072 4.398 4.470 -0.000 0.000 0.285 4184 S C 0.968 175.586 174.600 0.030 0.000 1.265 4184 S CA -0.216 57.996 58.200 0.021 0.000 1.079 4184 S CB 1.115 64.364 63.200 0.081 0.000 0.877 4184 S HN 0.098 nan 8.310 nan 0.000 0.493 4185 Q N 4.666 124.456 119.800 -0.017 0.000 2.170 4185 Q HA -0.051 4.289 4.340 -0.000 0.000 0.203 4185 Q C 1.741 177.643 176.000 -0.164 0.000 0.976 4185 Q CA 1.801 57.554 55.803 -0.083 0.000 0.858 4185 Q CB -0.374 28.328 28.738 -0.060 0.000 0.907 4185 Q HN 0.916 nan 8.270 nan 0.000 0.433 4186 L N -0.555 120.605 121.223 -0.105 0.000 2.042 4186 L HA -0.263 4.077 4.340 -0.000 0.000 0.210 4186 L C 1.878 178.550 176.870 -0.330 0.000 1.076 4186 L CA 1.783 56.484 54.840 -0.231 0.000 0.749 4186 L CB -0.204 41.777 42.059 -0.130 0.000 0.893 4186 L HN 0.427 nan 8.230 nan 0.000 0.432 4187 H N -1.452 117.523 119.070 -0.158 0.000 2.436 4187 H HA -0.007 4.549 4.556 -0.000 0.000 0.294 4187 H C 2.269 177.556 175.328 -0.068 0.000 1.048 4187 H CA 0.835 56.823 56.048 -0.100 0.000 1.353 4187 H CB 0.071 29.824 29.762 -0.015 0.000 1.414 4187 H HN 0.177 nan 8.280 nan 0.000 0.536 4188 R N 0.548 121.045 120.500 -0.005 0.000 2.115 4188 R HA -0.082 4.258 4.340 -0.000 0.000 0.230 4188 R C 1.795 177.885 176.300 -0.350 0.000 1.111 4188 R CA 1.280 57.325 56.100 -0.091 0.000 0.976 4188 R CB 0.025 30.194 30.300 -0.218 0.000 0.870 4188 R HN 0.514 nan 8.270 nan 0.000 0.445 4189 E N 0.624 120.471 120.200 -0.588 0.000 2.072 4189 E HA -0.185 4.165 4.350 -0.000 0.000 0.191 4189 E C 1.908 178.210 176.600 -0.497 0.000 0.985 4189 E CA 0.812 56.701 56.400 -0.852 0.000 0.801 4189 E CB -0.094 28.833 29.700 -1.288 0.000 0.750 4189 E HN 0.091 nan 8.360 nan 0.000 0.452 4190 L N 1.340 122.312 121.223 -0.417 0.000 2.012 4190 L HA -0.148 4.192 4.340 -0.000 0.000 0.210 4190 L C 2.267 179.045 176.870 -0.155 0.000 1.073 4190 L CA 2.147 56.849 54.840 -0.230 0.000 0.748 4190 L CB -0.740 41.170 42.059 -0.250 0.000 0.891 4190 L HN 0.049 nan 8.230 nan 0.000 0.431 4191 A N -0.711 122.029 122.820 -0.133 0.000 1.940 4191 A HA -0.253 4.067 4.320 -0.000 0.000 0.219 4191 A C 2.438 179.967 177.584 -0.091 0.000 1.176 4191 A CA 2.203 54.168 52.037 -0.119 0.000 0.631 4191 A CB -1.264 17.750 19.000 0.024 0.000 0.814 4191 A HN 0.711 nan 8.150 nan 0.000 0.446 4192 S N -1.129 114.544 115.700 -0.045 0.000 2.507 4192 S HA 0.130 4.600 4.470 -0.000 0.000 0.235 4192 S C 1.498 176.109 174.600 0.018 0.000 0.988 4192 S CA 1.131 59.341 58.200 0.017 0.000 0.944 4192 S CB -0.410 62.874 63.200 0.140 0.000 0.762 4192 S HN 0.732 nan 8.310 nan 0.000 0.526 4193 G N 0.341 109.134 108.800 -0.012 0.000 3.192 4193 G HA2 0.430 4.390 3.960 -0.000 0.000 0.239 4193 G HA3 0.430 4.390 3.960 -0.000 0.000 0.239 4193 G C 0.155 174.985 174.900 -0.116 0.000 1.084 4193 G CA -0.504 44.590 45.100 -0.011 0.000 0.784 4193 G HN 0.431 nan 8.290 nan 0.000 0.540 4194 L N 1.193 122.269 121.223 -0.245 0.000 2.371 4194 L HA 0.231 4.571 4.340 -0.000 0.000 0.272 4194 L C 1.052 177.602 176.870 -0.534 0.000 1.124 4194 L CA -0.440 54.088 54.840 -0.520 0.000 0.816 4194 L CB 1.718 43.262 42.059 -0.858 0.000 1.129 4194 L HN -0.059 nan 8.230 nan 0.000 0.448 4195 S N 2.452 117.841 115.700 -0.518 0.000 2.803 4195 S HA 0.194 4.664 4.470 -0.000 0.000 0.228 4195 S C -0.350 174.231 174.600 -0.032 0.000 0.953 4195 S CA 0.003 58.097 58.200 -0.177 0.000 0.983 4195 S CB -0.734 62.482 63.200 0.025 0.000 0.784 4195 S HN 0.458 nan 8.310 nan 0.000 0.498 4196 F N -1.843 118.137 119.950 0.049 0.000 2.715 4196 F HA 0.695 5.222 4.527 -0.000 0.000 0.318 4196 F C -3.447 172.398 175.800 0.075 0.000 1.141 4196 F CA -3.392 54.644 58.000 0.060 0.000 0.950 4196 F CB -0.108 38.914 39.000 0.037 0.000 1.374 4196 F HN -0.352 nan 8.300 nan 0.000 0.477 4197 P HA 0.340 nan 4.420 nan 0.000 0.271 4197 P C -1.128 176.278 177.300 0.177 0.000 1.218 4197 P CA -0.197 63.113 63.100 0.349 0.000 0.780 4197 P CB 1.214 33.207 31.700 0.488 0.000 0.901 4198 V N 2.418 122.286 119.914 -0.076 0.000 2.588 4198 V HA 0.667 4.787 4.120 -0.000 0.000 0.304 4198 V C 0.458 176.060 176.094 -0.820 0.000 1.042 4198 V CA -0.527 61.492 62.300 -0.469 0.000 0.877 4198 V CB 2.064 33.604 31.823 -0.473 0.000 0.996 4198 V HN 0.697 nan 8.190 nan 0.000 0.425 4199 G N 2.929 111.139 108.800 -0.983 0.000 2.372 4199 G HA2 0.675 4.635 3.960 -0.000 0.000 0.323 4199 G HA3 0.675 4.635 3.960 -0.000 0.000 0.323 4199 G C -1.251 173.311 174.900 -0.565 0.000 1.152 4199 G CA -0.324 44.182 45.100 -0.989 0.000 0.906 4199 G HN 0.412 nan 8.290 nan 0.000 0.460 4200 F N 1.561 121.364 119.950 -0.244 0.000 2.404 4200 F HA 0.385 4.912 4.527 -0.000 0.000 0.354 4200 F C 0.948 176.732 175.800 -0.027 0.000 1.122 4200 F CA -0.627 57.307 58.000 -0.111 0.000 1.080 4200 F CB 2.014 40.957 39.000 -0.095 0.000 1.131 4200 F HN 0.139 nan 8.300 nan 0.000 0.471 4201 K N 3.628 124.119 120.400 0.150 0.000 2.185 4201 K HA 0.152 4.472 4.320 -0.000 0.000 0.271 4201 K C 0.237 176.903 176.600 0.109 0.000 1.013 4201 K CA -0.657 55.702 56.287 0.121 0.000 0.943 4201 K CB 0.621 33.165 32.500 0.073 0.000 0.998 4201 K HN 0.719 nan 8.250 nan 0.000 0.468 4202 N N 0.381 119.140 118.700 0.098 0.000 2.340 4202 N HA -0.020 4.720 4.740 -0.000 0.000 0.236 4202 N C 0.300 175.839 175.510 0.050 0.000 1.296 4202 N CA -0.505 52.588 53.050 0.072 0.000 0.896 4202 N CB 0.355 38.886 38.487 0.073 0.000 1.127 4202 N HN 0.527 nan 8.380 nan 0.000 0.442 4203 G N -0.664 108.155 108.800 0.032 0.000 2.614 4203 G HA2 0.027 3.987 3.960 -0.000 0.000 0.239 4203 G HA3 0.027 3.987 3.960 -0.000 0.000 0.239 4203 G C 1.373 176.286 174.900 0.022 0.000 1.240 4203 G CA 0.123 45.234 45.100 0.018 0.000 0.842 4203 G HN 0.762 nan 8.290 nan 0.000 0.584 4204 T N -1.507 113.055 114.554 0.013 0.000 2.849 4204 T HA -0.201 4.149 4.350 -0.000 0.000 0.270 4204 T C 1.512 176.226 174.700 0.022 0.000 1.066 4204 T CA 1.805 63.916 62.100 0.018 0.000 1.130 4204 T CB -0.151 68.723 68.868 0.010 0.000 0.864 4204 T HN 0.635 nan 8.240 nan 0.000 0.481 4205 D N 1.000 121.411 120.400 0.018 0.000 2.349 4205 D HA 0.173 4.813 4.640 -0.000 0.000 0.224 4205 D C 1.641 177.953 176.300 0.021 0.000 1.029 4205 D CA 0.641 54.652 54.000 0.017 0.000 0.879 4205 D CB -0.622 40.184 40.800 0.011 0.000 0.906 4205 D HN 0.647 nan 8.370 nan 0.000 0.528 4206 G N 0.053 108.870 108.800 0.028 0.000 2.176 4206 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.253 4206 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.253 4206 G C 0.423 175.341 174.900 0.029 0.000 0.979 4206 G CA 0.271 45.391 45.100 0.033 0.000 0.641 4206 G HN 0.432 nan 8.290 nan 0.000 0.530 4207 T N 1.318 115.885 114.554 0.022 0.000 2.817 4207 T HA 0.369 4.719 4.350 -0.000 0.000 0.295 4207 T C 1.692 176.406 174.700 0.024 0.000 0.958 4207 T CA 0.172 62.283 62.100 0.018 0.000 1.157 4207 T CB 0.816 69.690 68.868 0.010 0.000 0.898 4207 T HN 0.159 nan 8.240 nan 0.000 0.536 4208 L N 4.192 125.430 121.223 0.026 0.000 2.209 4208 L HA 0.079 4.419 4.340 -0.000 0.000 0.207 4208 L C 2.446 179.328 176.870 0.021 0.000 1.094 4208 L CA 1.132 55.993 54.840 0.034 0.000 0.790 4208 L CB -0.620 41.463 42.059 0.040 0.000 0.932 4208 L HN 0.749 nan 8.230 nan 0.000 0.447 4209 N N 0.251 118.957 118.700 0.010 0.000 2.205 4209 N HA -0.182 4.558 4.740 -0.000 0.000 0.186 4209 N C 1.625 177.122 175.510 -0.022 0.000 1.015 4209 N CA 1.569 54.618 53.050 -0.002 0.000 0.862 4209 N CB -0.483 38.002 38.487 -0.003 0.000 0.986 4209 N HN 0.325 nan 8.380 nan 0.000 0.429 4210 V N -1.379 118.521 119.914 -0.023 0.000 2.515 4210 V HA -0.005 4.115 4.120 -0.000 0.000 0.250 4210 V C 2.676 178.718 176.094 -0.087 0.000 1.058 4210 V CA 1.480 63.750 62.300 -0.050 0.000 1.064 4210 V CB -1.086 30.716 31.823 -0.035 0.000 0.675 4210 V HN 0.417 nan 8.190 nan 0.000 0.461 4211 A N 0.400 123.194 122.820 -0.043 0.000 1.898 4211 A HA 0.014 4.334 4.320 -0.000 0.000 0.214 4211 A C 2.347 179.882 177.584 -0.082 0.000 1.183 4211 A CA 1.714 53.726 52.037 -0.042 0.000 0.622 4211 A CB -0.725 18.317 19.000 0.069 0.000 0.824 4211 A HN 0.399 nan 8.150 nan 0.000 0.444 4212 V N 0.625 120.520 119.914 -0.031 0.000 2.332 4212 V HA -0.268 3.852 4.120 -0.000 0.000 0.248 4212 V C 2.351 178.399 176.094 -0.076 0.000 1.055 4212 V CA 2.323 64.611 62.300 -0.021 0.000 1.038 4212 V CB -0.713 31.113 31.823 0.005 0.000 0.651 4212 V HN 0.581 nan 8.190 nan 0.000 0.450 4213 D N 0.093 120.434 120.400 -0.098 0.000 2.097 4213 D HA -0.171 4.469 4.640 -0.000 0.000 0.195 4213 D C 2.240 178.408 176.300 -0.220 0.000 0.989 4213 D CA 1.726 55.657 54.000 -0.115 0.000 0.827 4213 D CB 0.094 40.837 40.800 -0.094 0.000 0.966 4213 D HN 0.402 nan 8.370 nan 0.000 0.456 4214 A N 0.480 123.067 122.820 -0.389 0.000 1.908 4214 A HA -0.222 4.098 4.320 -0.000 0.000 0.218 4214 A C 2.701 179.822 177.584 -0.772 0.000 1.181 4214 A CA 1.656 53.222 52.037 -0.784 0.000 0.627 4214 A CB -1.059 17.073 19.000 -1.448 0.000 0.818 4214 A HN 0.446 nan 8.150 nan 0.000 0.445 4215 C N -0.922 118.085 119.300 -0.489 0.000 2.413 4215 C HA -0.117 4.343 4.460 -0.000 0.000 0.276 4215 C C 2.930 177.855 174.990 -0.109 0.000 1.248 4215 C CA 1.177 60.095 59.018 -0.166 0.000 1.742 4215 C CB -1.110 26.633 27.740 0.005 0.000 2.017 4215 C HN 0.612 nan 8.230 nan 0.000 0.481 4216 Q N 0.878 120.617 119.800 -0.102 0.000 2.050 4216 Q HA -0.098 4.242 4.340 -0.000 0.000 0.202 4216 Q C 2.552 178.494 176.000 -0.096 0.000 0.980 4216 Q CA 2.057 57.837 55.803 -0.038 0.000 0.840 4216 Q CB -1.006 27.735 28.738 0.005 0.000 0.898 4216 Q HN 0.715 nan 8.270 nan 0.000 0.424 4217 A N 1.204 123.932 122.820 -0.155 0.000 1.877 4217 A HA -0.099 4.221 4.320 -0.000 0.000 0.216 4217 A C 2.323 179.672 177.584 -0.392 0.000 1.186 4217 A CA 2.116 53.999 52.037 -0.256 0.000 0.620 4217 A CB -0.773 18.160 19.000 -0.111 0.000 0.822 4217 A HN 0.372 nan 8.150 nan 0.000 0.443 4218 A N -0.378 122.309 122.820 -0.221 0.000 2.070 4218 A HA 0.220 4.540 4.320 -0.000 0.000 0.220 4218 A C 2.338 179.869 177.584 -0.089 0.000 1.159 4218 A CA 1.724 53.709 52.037 -0.087 0.000 0.656 4218 A CB -0.782 18.277 19.000 0.098 0.000 0.800 4218 A HN 1.073 nan 8.150 nan 0.000 0.453 4219 A N -0.116 122.625 122.820 -0.131 0.000 2.067 4219 A HA 0.016 4.335 4.320 -0.000 0.000 0.219 4219 A C 1.152 178.719 177.584 -0.028 0.000 1.158 4219 A CA 1.041 53.043 52.037 -0.058 0.000 0.661 4219 A CB -0.635 18.361 19.000 -0.007 0.000 0.801 4219 A HN 0.862 nan 8.150 nan 0.000 0.452 4220 H N -2.149 116.945 119.070 0.039 0.000 2.737 4220 H HA 0.577 5.133 4.556 -0.000 0.000 0.358 4220 H C -0.208 175.105 175.328 -0.025 0.000 1.187 4220 H CA -0.210 55.828 56.048 -0.017 0.000 1.221 4220 H CB 0.722 30.440 29.762 -0.073 0.000 1.799 4220 H HN 0.034 nan 8.280 nan 0.000 0.568 4221 S N 0.447 116.228 115.700 0.136 0.000 2.560 4221 S HA 0.055 4.525 4.470 -0.000 0.000 0.284 4221 S C -0.539 174.048 174.600 -0.022 0.000 1.327 4221 S CA -0.152 58.102 58.200 0.091 0.000 1.055 4221 S CB -0.314 62.924 63.200 0.063 0.000 0.868 4221 S HN 0.620 nan 8.310 nan 0.000 0.506 4222 H N 1.847 121.057 119.070 0.233 0.000 2.821 4222 H HA 0.349 4.905 4.556 -0.000 0.000 0.373 4222 H C -1.214 174.335 175.328 0.369 0.000 1.165 4222 H CA -0.533 55.704 56.048 0.315 0.000 1.154 4222 H CB 1.762 31.712 29.762 0.313 0.000 1.765 4222 H HN 0.821 nan 8.280 nan 0.000 0.549 4223 H N 2.450 121.741 119.070 0.368 0.000 2.906 4223 H HA 0.378 4.934 4.556 -0.000 0.000 0.324 4223 H C -1.415 174.065 175.328 0.254 0.000 0.973 4223 H CA -0.546 55.597 56.048 0.158 0.000 1.321 4223 H CB 0.228 30.033 29.762 0.072 0.000 1.535 4223 H HN 0.462 nan 8.280 nan 0.000 0.518 4224 F N 1.400 121.248 119.950 -0.171 0.000 2.831 4224 F HA 0.504 5.031 4.527 -0.000 0.000 0.318 4224 F C -1.539 174.166 175.800 -0.158 0.000 1.174 4224 F CA -1.478 56.454 58.000 -0.113 0.000 0.918 4224 F CB 1.176 40.158 39.000 -0.030 0.000 1.364 4224 F HN 0.225 nan 8.300 nan 0.000 0.475 4225 M N 1.632 121.275 119.600 0.073 0.000 2.180 4225 M HA 0.628 5.108 4.480 -0.000 0.000 0.358 4225 M C 0.139 176.500 176.300 0.102 0.000 1.233 4225 M CA 0.075 55.361 55.300 -0.023 0.000 1.114 4225 M CB 1.075 33.688 32.600 0.022 0.000 1.594 4225 M HN 0.973 nan 8.290 nan 0.000 0.467 4226 G N 1.558 110.328 108.800 -0.049 0.000 2.911 4226 G HA2 0.759 4.719 3.960 -0.000 0.000 0.299 4226 G HA3 0.759 4.719 3.960 -0.000 0.000 0.299 4226 G C -1.490 173.397 174.900 -0.022 0.000 1.283 4226 G CA -0.652 44.469 45.100 0.035 0.000 0.805 4226 G HN 0.655 nan 8.290 nan 0.000 0.548 4227 V N -1.026 118.880 119.914 -0.013 0.000 2.656 4227 V HA 0.815 4.935 4.120 -0.000 0.000 0.307 4227 V C 0.470 176.527 176.094 -0.061 0.000 1.051 4227 V CA -0.146 62.137 62.300 -0.029 0.000 0.893 4227 V CB 0.792 32.613 31.823 -0.004 0.000 0.999 4227 V HN 1.226 nan 8.190 nan 0.000 0.426 4228 T N 0.520 115.030 114.554 -0.073 0.000 2.810 4228 T HA 0.408 4.758 4.350 -0.000 0.000 0.277 4228 T C 0.854 175.466 174.700 -0.147 0.000 0.973 4228 T CA -0.255 61.777 62.100 -0.113 0.000 0.949 4228 T CB 0.925 69.726 68.868 -0.111 0.000 1.075 4228 T HN 0.571 nan 8.240 nan 0.000 0.537 4229 K N -0.433 119.829 120.400 -0.229 0.000 2.211 4229 K HA -0.044 4.276 4.320 -0.000 0.000 0.204 4229 K C 1.673 178.155 176.600 -0.198 0.000 1.047 4229 K CA 1.379 57.500 56.287 -0.277 0.000 0.935 4229 K CB -0.564 31.724 32.500 -0.354 0.000 0.728 4229 K HN 0.761 nan 8.250 nan 0.000 0.452 4230 H N -1.767 117.253 119.070 -0.083 0.000 2.524 4230 H HA 0.201 4.757 4.556 -0.000 0.000 0.280 4230 H C 0.730 176.029 175.328 -0.050 0.000 1.018 4230 H CA -0.000 56.011 56.048 -0.061 0.000 1.165 4230 H CB 0.517 30.252 29.762 -0.044 0.000 1.411 4230 H HN 0.313 nan 8.280 nan 0.000 0.569 4231 G N 1.052 109.872 108.800 0.033 0.000 2.160 4231 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.251 4231 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.251 4231 G C -0.018 174.896 174.900 0.024 0.000 1.008 4231 G CA 0.379 45.494 45.100 0.025 0.000 0.724 4231 G HN 0.232 nan 8.290 nan 0.000 0.514 4232 V N 0.469 120.394 119.914 0.019 0.000 2.472 4232 V HA 0.773 4.893 4.120 -0.000 0.000 0.290 4232 V C 0.904 176.989 176.094 -0.014 0.000 1.037 4232 V CA -0.536 61.768 62.300 0.007 0.000 0.908 4232 V CB 1.597 33.429 31.823 0.016 0.000 0.985 4232 V HN 1.106 nan 8.190 nan 0.000 0.454 4233 A N 3.781 126.591 122.820 -0.016 0.000 2.454 4233 A HA 0.751 5.071 4.320 -0.000 0.000 0.260 4233 A C 0.352 177.908 177.584 -0.046 0.000 1.106 4233 A CA 0.518 52.539 52.037 -0.026 0.000 0.780 4233 A CB 0.058 19.047 19.000 -0.017 0.000 1.044 4233 A HN 1.532 nan 8.150 nan 0.000 0.498 4234 A N 2.340 125.115 122.820 -0.075 0.000 2.593 4234 A HA 0.719 5.039 4.320 -0.000 0.000 0.290 4234 A C -0.713 176.767 177.584 -0.173 0.000 1.126 4234 A CA -0.631 51.344 52.037 -0.104 0.000 0.695 4234 A CB 0.720 19.660 19.000 -0.100 0.000 1.290 4234 A HN 0.737 nan 8.150 nan 0.000 0.414 4235 I N 1.849 122.296 120.570 -0.205 0.000 2.312 4235 I HA 0.289 4.459 4.170 -0.000 0.000 0.291 4235 I C -0.074 175.783 176.117 -0.432 0.000 1.031 4235 I CA 0.071 61.163 61.300 -0.346 0.000 1.293 4235 I CB 1.383 39.194 38.000 -0.315 0.000 1.403 4235 I HN 0.559 nan 8.210 nan 0.000 0.484 4236 T N 4.281 118.433 114.554 -0.669 0.000 2.875 4236 T HA 0.373 4.723 4.350 -0.000 0.000 0.284 4236 T C 0.031 174.366 174.700 -0.607 0.000 0.995 4236 T CA -0.423 61.279 62.100 -0.663 0.000 1.060 4236 T CB 1.296 69.630 68.868 -0.889 0.000 0.967 4236 T HN 0.471 nan 8.240 nan 0.000 0.476 4237 T N 2.873 117.275 114.554 -0.254 0.000 2.840 4237 T HA 0.575 4.925 4.350 -0.000 0.000 0.287 4237 T C 0.354 175.061 174.700 0.012 0.000 0.991 4237 T CA -0.853 61.230 62.100 -0.028 0.000 0.964 4237 T CB 1.221 70.147 68.868 0.096 0.000 0.954 4237 T HN 0.785 nan 8.240 nan 0.000 0.438 4238 T N -0.455 114.169 114.554 0.115 0.000 2.948 4238 T HA 0.500 4.850 4.350 -0.000 0.000 0.285 4238 T C 1.034 175.798 174.700 0.107 0.000 1.019 4238 T CA -0.958 61.217 62.100 0.125 0.000 1.013 4238 T CB 1.654 70.654 68.868 0.221 0.000 1.117 4238 T HN 0.604 nan 8.240 nan 0.000 0.533 4239 K N -0.220 120.224 120.400 0.073 0.000 2.354 4239 K HA 0.528 4.848 4.320 -0.000 0.000 0.194 4239 K C 0.857 177.491 176.600 0.058 0.000 1.045 4239 K CA 0.022 56.342 56.287 0.055 0.000 1.026 4239 K CB -0.039 32.479 32.500 0.030 0.000 0.866 4239 K HN 1.254 nan 8.250 nan 0.000 0.530 4240 G N 1.257 110.096 108.800 0.064 0.000 2.770 4240 G HA2 -0.139 3.821 3.960 -0.000 0.000 0.686 4240 G HA3 -0.139 3.821 3.960 -0.000 0.000 0.686 4240 G C -1.970 172.932 174.900 0.003 0.000 1.180 4240 G CA -0.707 44.420 45.100 0.045 0.000 0.767 4240 G HN 0.249 nan 8.290 nan 0.000 0.646 4241 N N 1.076 119.769 118.700 -0.012 0.000 2.518 4241 N HA 0.288 5.028 4.740 -0.000 0.000 0.254 4241 N C 1.283 176.759 175.510 -0.058 0.000 0.979 4241 N CA -0.242 52.786 53.050 -0.035 0.000 0.930 4241 N CB 1.316 39.789 38.487 -0.024 0.000 1.152 4241 N HN 0.737 nan 8.380 nan 0.000 0.505 4242 E N 2.598 122.694 120.200 -0.174 0.000 2.502 4242 E HA -0.094 4.256 4.350 -0.000 0.000 0.194 4242 E C -0.487 175.986 176.600 -0.211 0.000 1.062 4242 E CA 0.638 56.913 56.400 -0.208 0.000 0.867 4242 E CB -0.381 29.156 29.700 -0.271 0.000 0.888 4242 E HN 0.637 nan 8.360 nan 0.000 0.510 4243 H N -0.017 119.120 119.070 0.111 0.000 2.539 4243 H HA 0.301 4.857 4.556 -0.000 0.000 0.293 4243 H C -0.528 174.937 175.328 0.227 0.000 1.156 4243 H CA -0.761 55.392 56.048 0.176 0.000 1.012 4243 H CB 0.047 29.910 29.762 0.168 0.000 1.600 4243 H HN 0.092 nan 8.280 nan 0.000 0.538 4244 C N 1.366 120.824 119.300 0.264 0.000 2.365 4244 C HA 0.613 5.073 4.460 -0.000 0.000 0.349 4244 C C -0.203 174.968 174.990 0.301 0.000 1.191 4244 C CA -0.676 58.455 59.018 0.189 0.000 2.114 4244 C CB -0.356 27.521 27.740 0.228 0.000 2.367 4244 C HN 0.614 nan 8.230 nan 0.000 0.530 4245 F N -0.662 119.434 119.950 0.245 0.000 2.711 4245 F HA 0.768 5.295 4.527 -0.000 0.000 0.313 4245 F C -0.951 174.992 175.800 0.238 0.000 1.141 4245 F CA -1.303 56.823 58.000 0.211 0.000 0.941 4245 F CB 0.256 39.365 39.000 0.182 0.000 1.349 4245 F HN 0.232 nan 8.300 nan 0.000 0.464 4246 V N 2.512 122.668 119.914 0.403 0.000 2.607 4246 V HA 0.377 4.497 4.120 -0.000 0.000 0.289 4246 V C 0.030 176.341 176.094 0.362 0.000 1.053 4246 V CA -0.491 61.986 62.300 0.294 0.000 0.996 4246 V CB 1.393 33.344 31.823 0.213 0.000 0.995 4246 V HN 0.605 nan 8.190 nan 0.000 0.476 4247 I N 5.459 126.192 120.570 0.271 0.000 2.382 4247 I HA 0.350 4.520 4.170 -0.000 0.000 0.285 4247 I C -0.452 175.786 176.117 0.202 0.000 1.007 4247 I CA -0.408 61.056 61.300 0.273 0.000 1.142 4247 I CB 1.439 39.594 38.000 0.258 0.000 1.289 4247 I HN 0.365 nan 8.210 nan 0.000 0.453 4248 L N 7.435 128.776 121.223 0.197 0.000 2.315 4248 L HA 0.290 4.630 4.340 -0.000 0.000 0.283 4248 L C 0.641 177.622 176.870 0.185 0.000 1.089 4248 L CA -0.241 54.701 54.840 0.171 0.000 0.833 4248 L CB 0.116 42.276 42.059 0.169 0.000 1.170 4248 L HN 0.691 nan 8.230 nan 0.000 0.442 4249 R N 1.569 122.166 120.500 0.162 0.000 2.616 4249 R HA 0.448 4.788 4.340 -0.000 0.000 0.427 4249 R C 0.440 176.837 176.300 0.161 0.000 1.030 4249 R CA -0.081 56.124 56.100 0.174 0.000 1.133 4249 R CB 0.058 30.446 30.300 0.146 0.000 1.444 4249 R HN 0.620 nan 8.270 nan 0.000 0.578 4250 G N -0.370 108.517 108.800 0.146 0.000 2.601 4250 G HA2 0.158 4.118 3.960 -0.000 0.000 0.261 4250 G HA3 0.158 4.118 3.960 -0.000 0.000 0.261 4250 G C 0.272 175.225 174.900 0.089 0.000 1.289 4250 G CA 0.095 45.266 45.100 0.118 0.000 0.920 4250 G HN 1.191 nan 8.290 nan 0.000 0.571 4251 G N -2.711 106.134 108.800 0.075 0.000 2.345 4251 G HA2 0.499 4.459 3.960 -0.000 0.000 0.285 4251 G HA3 0.499 4.459 3.960 -0.000 0.000 0.285 4251 G C 0.552 175.479 174.900 0.044 0.000 1.297 4251 G CA 0.519 45.654 45.100 0.058 0.000 0.875 4251 G HN 0.899 nan 8.290 nan 0.000 0.506 4252 K N 0.243 120.663 120.400 0.034 0.000 2.052 4252 K HA -0.220 4.100 4.320 -0.000 0.000 0.215 4252 K C 2.240 178.852 176.600 0.020 0.000 1.053 4252 K CA 2.187 58.490 56.287 0.026 0.000 0.934 4252 K CB -0.258 32.254 32.500 0.020 0.000 0.717 4252 K HN 0.544 nan 8.250 nan 0.000 0.450 4253 K N 0.076 120.487 120.400 0.018 0.000 2.591 4253 K HA 0.121 4.441 4.320 -0.000 0.000 0.197 4253 K C 0.349 176.953 176.600 0.007 0.000 1.026 4253 K CA 0.445 56.738 56.287 0.010 0.000 1.127 4253 K CB 0.125 32.630 32.500 0.007 0.000 0.871 4253 K HN 0.242 nan 8.250 nan 0.000 0.507 4254 G N 0.752 109.560 108.800 0.015 0.000 2.603 4254 G HA2 -0.212 3.747 3.960 -0.000 0.000 0.686 4254 G HA3 -0.212 3.747 3.960 -0.000 0.000 0.686 4254 G C -0.347 174.563 174.900 0.017 0.000 1.286 4254 G CA -0.570 44.536 45.100 0.010 0.000 0.871 4254 G HN 0.446 nan 8.290 nan 0.000 0.568 4255 T N -1.695 112.863 114.554 0.006 0.000 2.900 4255 T HA 0.478 4.828 4.350 -0.000 0.000 0.307 4255 T C 0.783 175.438 174.700 -0.075 0.000 1.065 4255 T CA 0.556 62.667 62.100 0.020 0.000 1.105 4255 T CB 1.208 70.091 68.868 0.025 0.000 0.979 4255 T HN 1.855 nan 8.240 nan 0.000 0.544 4256 N N -0.022 118.673 118.700 -0.009 0.000 2.588 4256 N HA 0.112 4.852 4.740 -0.000 0.000 0.298 4256 N C -0.202 175.318 175.510 0.018 0.000 1.718 4256 N CA -0.865 52.166 53.050 -0.033 0.000 0.888 4256 N CB -0.449 38.059 38.487 0.036 0.000 1.389 4256 N HN 0.858 nan 8.380 nan 0.000 0.491 4257 Y N -1.458 118.859 120.300 0.029 0.000 2.467 4257 Y HA 0.382 4.932 4.550 -0.000 0.000 0.250 4257 Y C -0.082 175.821 175.900 0.006 0.000 1.155 4257 Y CA -1.258 56.857 58.100 0.025 0.000 1.249 4257 Y CB -0.187 38.279 38.460 0.011 0.000 1.146 4257 Y HN 0.018 nan 8.280 nan 0.000 0.524 4258 D N 1.071 121.297 120.400 -0.290 0.000 2.358 4258 D HA 0.144 4.784 4.640 -0.000 0.000 0.244 4258 D C 1.289 177.564 176.300 -0.042 0.000 1.163 4258 D CA 0.390 54.299 54.000 -0.152 0.000 0.945 4258 D CB 1.831 42.487 40.800 -0.240 0.000 1.152 4258 D HN 0.234 nan 8.370 nan 0.000 0.451 4259 A N 1.267 124.078 122.820 -0.015 0.000 1.908 4259 A HA -0.192 4.128 4.320 -0.000 0.000 0.218 4259 A C 2.364 179.943 177.584 -0.008 0.000 1.181 4259 A CA 3.254 55.292 52.037 0.001 0.000 0.627 4259 A CB -1.237 17.765 19.000 0.003 0.000 0.818 4259 A HN 0.797 nan 8.150 nan 0.000 0.445 4260 K N -0.514 119.870 120.400 -0.027 0.000 2.026 4260 K HA -0.101 4.219 4.320 -0.000 0.000 0.208 4260 K C 2.279 178.867 176.600 -0.020 0.000 1.048 4260 K CA 2.101 58.374 56.287 -0.024 0.000 0.929 4260 K CB -1.334 31.145 32.500 -0.035 0.000 0.713 4260 K HN 0.511 nan 8.250 nan 0.000 0.439 4261 S N 0.475 116.154 115.700 -0.036 0.000 2.368 4261 S HA -0.111 4.359 4.470 -0.000 0.000 0.225 4261 S C 2.229 176.835 174.600 0.010 0.000 1.030 4261 S CA 1.315 59.502 58.200 -0.022 0.000 0.999 4261 S CB -0.252 62.919 63.200 -0.048 0.000 0.844 4261 S HN 0.334 nan 8.310 nan 0.000 0.459 4262 V N 1.955 121.880 119.914 0.019 0.000 2.343 4262 V HA -0.195 3.925 4.120 -0.000 0.000 0.247 4262 V C 2.599 178.714 176.094 0.034 0.000 1.051 4262 V CA 1.702 64.027 62.300 0.042 0.000 1.036 4262 V CB -1.122 30.732 31.823 0.052 0.000 0.654 4262 V HN 0.549 nan 8.190 nan 0.000 0.451 4263 A N -0.949 121.884 122.820 0.022 0.000 1.969 4263 A HA -0.215 4.105 4.320 -0.000 0.000 0.218 4263 A C 2.265 179.861 177.584 0.020 0.000 1.169 4263 A CA 1.690 53.739 52.037 0.020 0.000 0.635 4263 A CB -0.398 18.610 19.000 0.012 0.000 0.810 4263 A HN 0.594 nan 8.150 nan 0.000 0.445 4264 E N -0.267 119.943 120.200 0.016 0.000 2.106 4264 E HA -0.078 4.272 4.350 -0.000 0.000 0.192 4264 E C 2.206 178.821 176.600 0.025 0.000 0.984 4264 E CA 0.799 57.208 56.400 0.016 0.000 0.806 4264 E CB -0.163 29.542 29.700 0.009 0.000 0.750 4264 E HN 0.572 nan 8.360 nan 0.000 0.458 4265 A N 1.590 124.430 122.820 0.034 0.000 1.873 4265 A HA -0.187 4.133 4.320 -0.000 0.000 0.215 4265 A C 1.967 179.581 177.584 0.050 0.000 1.186 4265 A CA 1.423 53.489 52.037 0.048 0.000 0.616 4265 A CB -0.302 18.736 19.000 0.064 0.000 0.823 4265 A HN 0.098 nan 8.150 nan 0.000 0.442 4266 K N -0.069 120.358 120.400 0.046 0.000 2.103 4266 K HA -0.103 4.217 4.320 -0.000 0.000 0.207 4266 K C 2.247 178.870 176.600 0.037 0.000 1.048 4266 K CA 1.136 57.450 56.287 0.045 0.000 0.930 4266 K CB -0.381 32.142 32.500 0.039 0.000 0.716 4266 K HN 0.441 nan 8.250 nan 0.000 0.444 4267 A N 1.800 124.638 122.820 0.030 0.000 1.933 4267 A HA -0.218 4.102 4.320 -0.000 0.000 0.218 4267 A C 2.088 179.688 177.584 0.026 0.000 1.175 4267 A CA 1.320 53.372 52.037 0.025 0.000 0.628 4267 A CB -0.398 18.613 19.000 0.019 0.000 0.814 4267 A HN 0.318 nan 8.150 nan 0.000 0.444 4268 Q N -0.511 119.307 119.800 0.029 0.000 2.167 4268 Q HA 0.022 4.362 4.340 -0.000 0.000 0.202 4268 Q C 0.011 176.031 176.000 0.032 0.000 0.970 4268 Q CA 0.225 56.045 55.803 0.028 0.000 0.855 4268 Q CB -0.314 28.441 28.738 0.029 0.000 0.911 4268 Q HN 0.607 nan 8.270 nan 0.000 0.438 4269 L N 3.832 125.080 121.223 0.042 0.000 2.513 4269 L HA 0.078 4.418 4.340 -0.000 0.000 0.272 4269 L C -1.724 175.170 176.870 0.041 0.000 1.187 4269 L CA -1.282 53.587 54.840 0.049 0.000 0.895 4269 L CB -0.307 41.790 42.059 0.063 0.000 1.147 4269 L HN 0.068 nan 8.230 nan 0.000 0.483 4270 P HA 0.146 nan 4.420 nan 0.000 0.274 4270 P C -0.582 176.740 177.300 0.037 0.000 1.256 4270 P CA -0.607 62.513 63.100 0.033 0.000 0.795 4270 P CB 0.702 32.420 31.700 0.031 0.000 1.038 4271 A N -0.050 122.789 122.820 0.031 0.000 2.483 4271 A HA 0.408 4.728 4.320 -0.000 0.000 0.238 4271 A C 1.409 179.016 177.584 0.037 0.000 1.070 4271 A CA 0.622 52.678 52.037 0.032 0.000 0.770 4271 A CB -1.468 17.547 19.000 0.026 0.000 1.008 4271 A HN 0.944 nan 8.150 nan 0.000 0.497 4272 G N 0.596 109.420 108.800 0.040 0.000 2.153 4272 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.252 4272 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.252 4272 G C 0.556 175.491 174.900 0.059 0.000 0.994 4272 G CA 0.786 45.913 45.100 0.045 0.000 0.698 4272 G HN 1.541 nan 8.290 nan 0.000 0.521 4273 S N -0.346 115.392 115.700 0.064 0.000 2.614 4273 S HA 0.536 5.005 4.470 -0.000 0.000 0.265 4273 S C 0.807 175.468 174.600 0.101 0.000 1.303 4273 S CA -0.439 57.812 58.200 0.085 0.000 1.000 4273 S CB 0.418 63.667 63.200 0.082 0.000 0.935 4273 S HN 0.412 nan 8.310 nan 0.000 0.551 4274 N N 0.749 119.534 118.700 0.141 0.000 2.434 4274 N HA 0.350 5.090 4.740 -0.000 0.000 0.266 4274 N C 0.451 176.030 175.510 0.116 0.000 1.223 4274 N CA -0.143 52.995 53.050 0.147 0.000 0.972 4274 N CB 0.454 39.085 38.487 0.240 0.000 1.207 4274 N HN 0.741 nan 8.380 nan 0.000 0.525 4275 G N -0.193 108.633 108.800 0.042 0.000 2.667 4275 G HA2 0.350 4.310 3.960 -0.000 0.000 0.250 4275 G HA3 0.350 4.310 3.960 -0.000 0.000 0.250 4275 G C 0.026 174.940 174.900 0.023 0.000 1.212 4275 G CA -0.331 44.775 45.100 0.009 0.000 0.874 4275 G HN 0.378 nan 8.290 nan 0.000 0.561 4276 L N -0.040 121.211 121.223 0.047 0.000 2.379 4276 L HA 0.548 4.888 4.340 -0.000 0.000 0.269 4276 L C 0.422 177.330 176.870 0.062 0.000 1.084 4276 L CA -0.506 54.401 54.840 0.112 0.000 0.802 4276 L CB 1.670 43.800 42.059 0.120 0.000 1.175 4276 L HN 0.488 nan 8.230 nan 0.000 0.448 4277 M N 3.151 122.853 119.600 0.169 0.000 2.253 4277 M HA 0.539 5.019 4.480 -0.000 0.000 0.314 4277 M C -1.470 174.941 176.300 0.185 0.000 1.019 4277 M CA -0.312 55.073 55.300 0.142 0.000 0.932 4277 M CB 1.515 34.277 32.600 0.271 0.000 1.606 4277 M HN 0.429 nan 8.290 nan 0.000 0.430 4278 I N 3.781 124.445 120.570 0.158 0.000 2.354 4278 I HA 0.262 4.432 4.170 -0.000 0.000 0.292 4278 I C -0.589 175.655 176.117 0.213 0.000 0.989 4278 I CA -0.673 60.756 61.300 0.215 0.000 1.188 4278 I CB 1.450 39.608 38.000 0.264 0.000 1.342 4278 I HN 0.617 nan 8.210 nan 0.000 0.457 4279 D N 5.891 126.425 120.400 0.223 0.000 2.316 4279 D HA 0.079 4.719 4.640 -0.000 0.000 0.245 4279 D C 0.514 176.989 176.300 0.292 0.000 1.171 4279 D CA -0.033 54.088 54.000 0.202 0.000 0.856 4279 D CB 0.767 41.700 40.800 0.222 0.000 1.090 4279 D HN 0.278 nan 8.370 nan 0.000 0.476 4280 Y N 1.710 122.006 120.300 -0.007 0.000 2.373 4280 Y HA -0.020 4.530 4.550 -0.000 0.000 0.293 4280 Y C 1.835 177.693 175.900 -0.070 0.000 1.129 4280 Y CA 0.135 58.182 58.100 -0.088 0.000 1.226 4280 Y CB -0.623 37.774 38.460 -0.106 0.000 1.000 4280 Y HN 0.262 nan 8.280 nan 0.000 0.549 4281 S N -2.151 113.622 115.700 0.121 0.000 2.566 4281 S HA 0.367 4.837 4.470 -0.000 0.000 0.277 4281 S C -0.082 174.537 174.600 0.032 0.000 1.150 4281 S CA 0.233 58.413 58.200 -0.034 0.000 1.032 4281 S CB 0.211 63.248 63.200 -0.272 0.000 1.157 4281 S HN 0.538 nan 8.310 nan 0.000 0.507 4282 H N -0.706 118.400 119.070 0.060 0.000 1.452 4282 H HA -0.241 4.315 4.556 -0.000 0.000 0.090 4282 H C 1.502 176.871 175.328 0.068 0.000 0.910 4282 H CA 1.401 57.484 56.048 0.058 0.000 1.901 4282 H CB -1.602 28.193 29.762 0.056 0.000 2.257 4282 H HN 0.705 nan 8.280 nan 0.000 0.961 4283 G N -0.299 108.646 108.800 0.241 0.000 2.462 4283 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.220 4283 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.220 4283 G C 1.288 176.282 174.900 0.158 0.000 1.121 4283 G CA 1.347 46.542 45.100 0.158 0.000 0.758 4283 G HN 0.524 nan 8.290 nan 0.000 0.559 4284 N N 0.206 119.018 118.700 0.186 0.000 2.463 4284 N HA -0.026 4.714 4.740 -0.000 0.000 0.181 4284 N C 2.160 177.757 175.510 0.145 0.000 1.078 4284 N CA 1.098 54.285 53.050 0.230 0.000 0.902 4284 N CB 0.267 38.912 38.487 0.264 0.000 0.970 4284 N HN 0.466 nan 8.380 nan 0.000 0.451 4285 S N -1.145 114.602 115.700 0.078 0.000 2.540 4285 S HA 0.155 4.625 4.470 -0.000 0.000 0.222 4285 S C 0.409 175.025 174.600 0.027 0.000 1.008 4285 S CA -0.422 57.790 58.200 0.020 0.000 0.939 4285 S CB 0.046 63.241 63.200 -0.010 0.000 0.865 4285 S HN 0.231 nan 8.310 nan 0.000 0.499 4286 N N 1.691 120.425 118.700 0.056 0.000 2.740 4286 N HA -0.259 4.481 4.740 -0.000 0.000 0.248 4286 N C 0.223 175.750 175.510 0.027 0.000 1.062 4286 N CA 0.532 53.610 53.050 0.046 0.000 0.704 4286 N CB -1.543 36.967 38.487 0.037 0.000 0.968 4286 N HN 0.926 nan 8.380 nan 0.000 0.547 4287 K N -0.873 119.546 120.400 0.032 0.000 3.160 4287 K HA -0.229 4.091 4.320 -0.000 0.000 0.280 4287 K C -0.532 176.076 176.600 0.014 0.000 1.154 4287 K CA 1.844 58.148 56.287 0.030 0.000 0.822 4287 K CB -1.842 30.679 32.500 0.035 0.000 1.239 4287 K HN 0.631 nan 8.250 nan 0.000 0.489 4288 D N -0.662 119.729 120.400 -0.014 0.000 2.402 4288 D HA 0.482 5.122 4.640 -0.000 0.000 0.252 4288 D C 0.978 177.206 176.300 -0.119 0.000 1.294 4288 D CA -0.413 53.532 54.000 -0.091 0.000 0.948 4288 D CB 0.121 40.844 40.800 -0.128 0.000 1.202 4288 D HN 0.418 nan 8.370 nan 0.000 0.561 4289 F N 4.061 123.989 119.950 -0.037 0.000 2.154 4289 F HA -0.159 4.368 4.527 -0.000 0.000 0.301 4289 F C 1.741 177.517 175.800 -0.039 0.000 1.087 4289 F CA 1.044 59.017 58.000 -0.045 0.000 1.274 4289 F CB -0.598 38.376 39.000 -0.043 0.000 1.009 4289 F HN 0.233 nan 8.300 nan 0.000 0.485 4290 R N 0.814 120.832 120.500 -0.803 0.000 2.357 4290 R HA -0.006 4.334 4.340 -0.000 0.000 0.202 4290 R C 0.895 177.071 176.300 -0.207 0.000 1.047 4290 R CA 1.239 57.070 56.100 -0.448 0.000 1.034 4290 R CB -1.295 28.655 30.300 -0.584 0.000 0.875 4290 R HN 0.517 nan 8.270 nan 0.000 0.473 4291 N N 0.813 119.414 118.700 -0.165 0.000 2.392 4291 N HA -0.031 4.709 4.740 -0.000 0.000 0.177 4291 N C 1.310 176.738 175.510 -0.137 0.000 1.066 4291 N CA -0.041 52.933 53.050 -0.127 0.000 0.895 4291 N CB 0.219 38.649 38.487 -0.095 0.000 0.988 4291 N HN 0.316 nan 8.380 nan 0.000 0.457 4292 Q N 0.852 120.610 119.800 -0.071 0.000 2.061 4292 Q HA -0.116 4.224 4.340 -0.000 0.000 0.204 4292 Q C -0.845 175.083 176.000 -0.120 0.000 0.984 4292 Q CA 1.261 57.038 55.803 -0.042 0.000 0.846 4292 Q CB -0.893 27.904 28.738 0.099 0.000 0.902 4292 Q HN 0.439 nan 8.270 nan 0.000 0.421 4293 P HA -0.115 nan 4.420 nan 0.000 0.221 4293 P C 0.550 177.747 177.300 -0.171 0.000 1.150 4293 P CA 1.229 64.274 63.100 -0.091 0.000 0.800 4293 P CB 0.091 31.767 31.700 -0.039 0.000 0.787 4294 K N -0.209 120.082 120.400 -0.183 0.000 2.097 4294 K HA -0.036 4.284 4.320 -0.000 0.000 0.205 4294 K C 2.102 178.517 176.600 -0.308 0.000 1.050 4294 K CA 0.874 57.053 56.287 -0.180 0.000 0.938 4294 K CB -0.988 31.437 32.500 -0.125 0.000 0.718 4294 K HN -0.051 nan 8.250 nan 0.000 0.442 4295 V N 1.540 121.131 119.914 -0.539 0.000 2.358 4295 V HA -0.244 3.876 4.120 -0.000 0.000 0.246 4295 V C 2.026 177.593 176.094 -0.878 0.000 1.047 4295 V CA 1.909 63.630 62.300 -0.964 0.000 1.035 4295 V CB -0.661 30.441 31.823 -1.200 0.000 0.658 4295 V HN 0.401 nan 8.190 nan 0.000 0.452 4296 N N 0.710 118.875 118.700 -0.892 0.000 2.104 4296 N HA -0.210 4.530 4.740 -0.000 0.000 0.190 4296 N C 1.493 176.843 175.510 -0.267 0.000 1.024 4296 N CA 1.947 54.625 53.050 -0.620 0.000 0.853 4296 N CB -0.247 38.120 38.487 -0.199 0.000 1.008 4296 N HN 0.470 nan 8.380 nan 0.000 0.424 4297 D N -0.487 119.790 120.400 -0.206 0.000 2.097 4297 D HA -0.103 4.537 4.640 -0.000 0.000 0.195 4297 D C 2.040 178.296 176.300 -0.074 0.000 0.989 4297 D CA 1.008 54.945 54.000 -0.105 0.000 0.827 4297 D CB -0.440 40.313 40.800 -0.080 0.000 0.966 4297 D HN 0.145 nan 8.370 nan 0.000 0.456 4298 V N 0.933 120.801 119.914 -0.076 0.000 2.407 4298 V HA -0.179 3.941 4.120 -0.000 0.000 0.248 4298 V C 2.669 178.774 176.094 0.019 0.000 1.055 4298 V CA 0.952 63.263 62.300 0.018 0.000 1.049 4298 V CB -0.394 31.530 31.823 0.168 0.000 0.662 4298 V HN 0.043 nan 8.190 nan 0.000 0.455 4299 V N -1.209 118.677 119.914 -0.046 0.000 2.358 4299 V HA -0.248 3.872 4.120 -0.000 0.000 0.246 4299 V C 2.518 178.623 176.094 0.019 0.000 1.047 4299 V CA 2.053 64.356 62.300 0.005 0.000 1.035 4299 V CB -0.595 31.220 31.823 -0.013 0.000 0.658 4299 V HN 0.632 nan 8.190 nan 0.000 0.452 4300 C N -0.145 119.152 119.300 -0.006 0.000 2.429 4300 C HA -0.170 4.290 4.460 -0.000 0.000 0.277 4300 C C 2.776 177.771 174.990 0.007 0.000 1.262 4300 C CA 1.439 60.462 59.018 0.007 0.000 1.733 4300 C CB -0.823 26.914 27.740 -0.006 0.000 2.010 4300 C HN 0.731 nan 8.230 nan 0.000 0.483 4301 E N 0.570 120.771 120.200 0.003 0.000 2.058 4301 E HA -0.279 4.071 4.350 -0.000 0.000 0.194 4301 E C 2.125 178.733 176.600 0.013 0.000 0.997 4301 E CA 1.531 57.935 56.400 0.006 0.000 0.801 4301 E CB -0.166 29.538 29.700 0.007 0.000 0.746 4301 E HN 0.680 nan 8.360 nan 0.000 0.450 4302 Q N 0.138 119.951 119.800 0.022 0.000 2.050 4302 Q HA -0.145 4.195 4.340 -0.000 0.000 0.202 4302 Q C 2.431 178.445 176.000 0.023 0.000 0.980 4302 Q CA 1.688 57.506 55.803 0.026 0.000 0.840 4302 Q CB -0.126 28.635 28.738 0.039 0.000 0.898 4302 Q HN 0.426 nan 8.270 nan 0.000 0.424 4303 I N 0.775 121.360 120.570 0.025 0.000 2.179 4303 I HA -0.281 3.889 4.170 -0.000 0.000 0.242 4303 I C 2.457 178.582 176.117 0.014 0.000 1.088 4303 I CA 1.022 62.335 61.300 0.021 0.000 1.357 4303 I CB -0.482 37.533 38.000 0.024 0.000 1.051 4303 I HN 0.169 nan 8.210 nan 0.000 0.409 4304 A N 0.661 123.488 122.820 0.011 0.000 1.978 4304 A HA -0.183 4.137 4.320 -0.000 0.000 0.220 4304 A C 1.856 179.444 177.584 0.007 0.000 1.170 4304 A CA 1.685 53.725 52.037 0.007 0.000 0.636 4304 A CB -0.565 18.438 19.000 0.004 0.000 0.810 4304 A HN 0.450 nan 8.150 nan 0.000 0.448 4305 N N -0.980 117.725 118.700 0.008 0.000 2.383 4305 N HA 0.169 4.909 4.740 -0.000 0.000 0.192 4305 N C 0.984 176.500 175.510 0.009 0.000 1.141 4305 N CA 1.008 54.063 53.050 0.008 0.000 0.851 4305 N CB 0.648 39.139 38.487 0.008 0.000 0.976 4305 N HN 0.655 nan 8.380 nan 0.000 0.465 4306 G N 0.916 109.722 108.800 0.010 0.000 2.192 4306 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.193 4306 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.193 4306 G C -0.057 174.850 174.900 0.013 0.000 0.999 4306 G CA -0.381 44.725 45.100 0.010 0.000 0.659 4306 G HN 0.286 nan 8.290 nan 0.000 0.503 4307 E N 1.581 121.791 120.200 0.016 0.000 2.059 4307 E HA 0.319 4.669 4.350 -0.000 0.000 0.262 4307 E C 1.330 177.941 176.600 0.018 0.000 1.230 4307 E CA -0.133 56.279 56.400 0.020 0.000 0.951 4307 E CB -0.110 29.606 29.700 0.027 0.000 1.038 4307 E HN 0.282 nan 8.360 nan 0.000 0.425 4308 N N 3.447 122.157 118.700 0.016 0.000 2.446 4308 N HA -0.026 4.714 4.740 -0.000 0.000 0.179 4308 N C 0.894 176.413 175.510 0.014 0.000 1.054 4308 N CA 0.834 53.891 53.050 0.013 0.000 0.905 4308 N CB 0.264 38.758 38.487 0.012 0.000 0.973 4308 N HN 0.498 nan 8.380 nan 0.000 0.448 4309 A N 0.573 123.406 122.820 0.021 0.000 2.119 4309 A HA 0.100 4.420 4.320 -0.000 0.000 0.217 4309 A C 1.038 178.638 177.584 0.026 0.000 1.153 4309 A CA 0.187 52.240 52.037 0.027 0.000 0.692 4309 A CB -0.200 18.822 19.000 0.036 0.000 0.799 4309 A HN 0.148 nan 8.150 nan 0.000 0.458 4310 I N 1.634 122.219 120.570 0.025 0.000 2.281 4310 I HA 0.066 4.236 4.170 -0.000 0.000 0.293 4310 I C 1.331 177.445 176.117 -0.004 0.000 1.085 4310 I CA 0.135 61.452 61.300 0.028 0.000 1.257 4310 I CB 1.024 39.054 38.000 0.049 0.000 1.430 4310 I HN 0.304 nan 8.210 nan 0.000 0.489 4311 T N 0.724 115.253 114.554 -0.041 0.000 3.022 4311 T HA 0.301 4.651 4.350 -0.000 0.000 0.250 4311 T C 0.691 175.315 174.700 -0.127 0.000 1.060 4311 T CA -0.124 61.924 62.100 -0.087 0.000 1.013 4311 T CB 0.538 69.330 68.868 -0.126 0.000 0.982 4311 T HN 0.586 nan 8.240 nan 0.000 0.508 4312 G N 0.754 109.486 108.800 -0.113 0.000 2.690 4312 G HA2 0.615 4.575 3.960 -0.000 0.000 0.291 4312 G HA3 0.615 4.575 3.960 -0.000 0.000 0.291 4312 G C -1.480 173.380 174.900 -0.066 0.000 1.403 4312 G CA -0.367 44.655 45.100 -0.130 0.000 0.864 4312 G HN 0.861 nan 8.290 nan 0.000 0.480 4313 V N -1.876 117.962 119.914 -0.126 0.000 3.049 4313 V HA 0.892 5.012 4.120 -0.000 0.000 0.309 4313 V C -0.642 175.286 176.094 -0.276 0.000 1.148 4313 V CA -1.126 61.056 62.300 -0.197 0.000 0.990 4313 V CB 1.913 33.523 31.823 -0.354 0.000 1.039 4313 V HN 0.994 nan 8.190 nan 0.000 0.430 4314 M N 3.947 123.371 119.600 -0.294 0.000 2.321 4314 M HA 0.769 5.249 4.480 -0.000 0.000 0.315 4314 M C -1.931 174.183 176.300 -0.309 0.000 1.052 4314 M CA -0.603 54.567 55.300 -0.216 0.000 0.936 4314 M CB 1.776 34.355 32.600 -0.036 0.000 1.639 4314 M HN 0.804 nan 8.290 nan 0.000 0.433 4315 I N 3.325 123.745 120.570 -0.250 0.000 2.569 4315 I HA 0.324 4.494 4.170 -0.000 0.000 0.290 4315 I C -0.764 175.283 176.117 -0.116 0.000 1.088 4315 I CA -0.674 60.503 61.300 -0.205 0.000 1.047 4315 I CB 2.356 40.216 38.000 -0.233 0.000 1.237 4315 I HN 0.641 nan 8.210 nan 0.000 0.421 4316 E N 4.350 124.491 120.200 -0.098 0.000 2.044 4316 E HA 0.366 4.716 4.350 -0.000 0.000 0.282 4316 E C -0.749 175.803 176.600 -0.079 0.000 1.031 4316 E CA -0.199 56.131 56.400 -0.117 0.000 0.824 4316 E CB 1.632 31.230 29.700 -0.169 0.000 1.076 4316 E HN 0.502 nan 8.360 nan 0.000 0.395 4317 S N 3.766 119.420 115.700 -0.076 0.000 2.569 4317 S HA 0.543 5.013 4.470 -0.000 0.000 0.280 4317 S C -0.938 173.585 174.600 -0.128 0.000 1.111 4317 S CA -0.726 57.466 58.200 -0.014 0.000 0.887 4317 S CB 1.585 64.867 63.200 0.135 0.000 1.095 4317 S HN 0.450 nan 8.310 nan 0.000 0.476 4318 N N 1.415 120.108 118.700 -0.012 0.000 2.972 4318 N HA 0.490 5.230 4.740 -0.000 0.000 0.262 4318 N C 1.058 176.729 175.510 0.268 0.000 1.478 4318 N CA -0.656 52.338 53.050 -0.093 0.000 0.841 4318 N CB 1.041 39.439 38.487 -0.148 0.000 1.512 4318 N HN 0.629 nan 8.380 nan 0.000 0.548 4319 I N 0.377 121.084 120.570 0.228 0.000 2.127 4319 I HA -0.195 3.975 4.170 -0.000 0.000 0.241 4319 I C 0.190 176.427 176.117 0.201 0.000 1.075 4319 I CA 1.142 62.605 61.300 0.272 0.000 1.334 4319 I CB -0.155 37.909 38.000 0.107 0.000 1.040 4319 I HN 0.309 nan 8.210 nan 0.000 0.405 4320 N N 1.064 119.808 118.700 0.073 0.000 2.319 4320 N HA 0.217 4.957 4.740 -0.000 0.000 0.305 4320 N C -0.775 174.685 175.510 -0.082 0.000 1.103 4320 N CA -0.512 52.552 53.050 0.022 0.000 0.815 4320 N CB 1.398 39.896 38.487 0.018 0.000 1.288 4320 N HN 0.220 nan 8.380 nan 0.000 0.493 4321 E N 0.162 120.270 120.200 -0.153 0.000 2.410 4321 E HA 0.433 4.783 4.350 -0.000 0.000 0.255 4321 E C 0.802 177.095 176.600 -0.512 0.000 1.194 4321 E CA -0.489 55.662 56.400 -0.416 0.000 0.955 4321 E CB 0.273 29.677 29.700 -0.494 0.000 0.988 4321 E HN 0.667 nan 8.360 nan 0.000 0.461 4322 G N 1.192 109.432 108.800 -0.933 0.000 2.598 4322 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.244 4322 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.244 4322 G C -0.605 174.145 174.900 -0.249 0.000 1.302 4322 G CA 0.076 44.843 45.100 -0.556 0.000 0.903 4322 G HN 1.247 nan 8.290 nan 0.000 0.575 4323 N N -0.898 117.731 118.700 -0.117 0.000 3.243 4323 N HA 0.657 5.397 4.740 -0.000 0.000 0.280 4323 N C -0.666 174.807 175.510 -0.062 0.000 1.545 4323 N CA 0.167 53.164 53.050 -0.088 0.000 0.854 4323 N CB 1.066 39.518 38.487 -0.057 0.000 1.612 4323 N HN 1.552 nan 8.380 nan 0.000 0.577 4324 Q N -1.574 118.182 119.800 -0.074 0.000 2.630 4324 Q HA 0.665 5.005 4.340 -0.000 0.000 0.295 4324 Q C -1.079 174.878 176.000 -0.072 0.000 0.944 4324 Q CA -1.294 54.471 55.803 -0.064 0.000 0.766 4324 Q CB 1.324 30.018 28.738 -0.072 0.000 1.471 4324 Q HN 0.771 nan 8.270 nan 0.000 0.416 4325 G N 0.400 109.167 108.800 -0.055 0.000 2.552 4325 G HA2 0.612 4.572 3.960 -0.000 0.000 0.318 4325 G HA3 0.612 4.572 3.960 -0.000 0.000 0.318 4325 G C -0.591 174.265 174.900 -0.073 0.000 1.240 4325 G CA -1.114 43.956 45.100 -0.051 0.000 1.002 4325 G HN 0.542 nan 8.290 nan 0.000 0.493 4326 I N 2.621 123.152 120.570 -0.065 0.000 2.312 4326 I HA 0.218 4.388 4.170 -0.000 0.000 0.291 4326 I C -1.378 174.711 176.117 -0.046 0.000 1.031 4326 I CA -1.404 59.851 61.300 -0.076 0.000 1.293 4326 I CB 1.327 39.281 38.000 -0.078 0.000 1.403 4326 I HN 0.334 nan 8.210 nan 0.000 0.484 4327 P HA 0.128 nan 4.420 nan 0.000 0.272 4327 P C 0.613 177.899 177.300 -0.023 0.000 1.254 4327 P CA -0.336 62.748 63.100 -0.027 0.000 0.795 4327 P CB 0.936 32.622 31.700 -0.025 0.000 1.022 4328 A N 0.635 123.446 122.820 -0.016 0.000 1.865 4328 A HA -0.238 4.082 4.320 -0.000 0.000 0.217 4328 A C 2.068 179.644 177.584 -0.014 0.000 1.191 4328 A CA 2.161 54.191 52.037 -0.012 0.000 0.623 4328 A CB -1.290 17.705 19.000 -0.008 0.000 0.826 4328 A HN 0.640 nan 8.150 nan 0.000 0.444 4329 E N -0.882 119.310 120.200 -0.014 0.000 2.048 4329 E HA 0.237 4.587 4.350 -0.000 0.000 0.202 4329 E C 1.389 177.978 176.600 -0.018 0.000 1.021 4329 E CA 1.393 57.785 56.400 -0.014 0.000 0.825 4329 E CB -0.415 29.278 29.700 -0.013 0.000 0.756 4329 E HN 0.955 nan 8.360 nan 0.000 0.454 4330 G N -1.120 107.664 108.800 -0.026 0.000 2.255 4330 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.216 4330 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.216 4330 G C 0.077 174.950 174.900 -0.044 0.000 1.307 4330 G CA -0.169 44.909 45.100 -0.036 0.000 1.162 4330 G HN 0.022 nan 8.290 nan 0.000 0.494 4331 K N 0.504 120.876 120.400 -0.047 0.000 2.286 4331 K HA -0.075 4.245 4.320 -0.000 0.000 0.203 4331 K C 2.826 179.415 176.600 -0.018 0.000 1.045 4331 K CA 1.768 58.031 56.287 -0.041 0.000 0.935 4331 K CB -0.360 32.119 32.500 -0.034 0.000 0.737 4331 K HN 0.673 nan 8.250 nan 0.000 0.460 4332 A N 1.190 124.001 122.820 -0.016 0.000 1.869 4332 A HA -0.164 4.156 4.320 -0.000 0.000 0.218 4332 A C 2.221 179.802 177.584 -0.005 0.000 1.203 4332 A CA 2.128 54.160 52.037 -0.008 0.000 0.638 4332 A CB -1.060 17.934 19.000 -0.010 0.000 0.831 4332 A HN 0.432 nan 8.150 nan 0.000 0.450 4333 G N -1.087 107.707 108.800 -0.010 0.000 3.262 4333 G HA2 0.406 4.366 3.960 -0.000 0.000 0.228 4333 G HA3 0.406 4.366 3.960 -0.000 0.000 0.228 4333 G C 0.288 175.185 174.900 -0.006 0.000 1.197 4333 G CA -0.432 44.664 45.100 -0.008 0.000 0.819 4333 G HN 0.370 nan 8.290 nan 0.000 0.531 4334 L N 1.103 122.325 121.223 -0.003 0.000 2.367 4334 L HA 0.211 4.551 4.340 -0.000 0.000 0.275 4334 L C 0.437 177.328 176.870 0.036 0.000 1.129 4334 L CA -0.343 54.497 54.840 0.000 0.000 0.839 4334 L CB 0.962 43.024 42.059 0.005 0.000 1.133 4334 L HN 0.032 nan 8.230 nan 0.000 0.453 4335 K N 3.169 123.584 120.400 0.025 0.000 2.412 4335 K HA 0.035 4.355 4.320 -0.000 0.000 0.281 4335 K C -0.448 176.208 176.600 0.093 0.000 1.027 4335 K CA -0.257 56.063 56.287 0.055 0.000 0.989 4335 K CB 0.526 33.042 32.500 0.026 0.000 0.935 4335 K HN 0.298 nan 8.250 nan 0.000 0.475 4336 Y N 0.955 121.250 120.300 -0.008 0.000 2.597 4336 Y HA 0.004 4.554 4.550 -0.000 0.000 0.336 4336 Y C 1.354 177.252 175.900 -0.004 0.000 1.216 4336 Y CA 1.680 59.773 58.100 -0.011 0.000 1.463 4336 Y CB 0.489 38.936 38.460 -0.021 0.000 1.303 4336 Y HN 0.973 nan 8.280 nan 0.000 0.576 4337 G N 3.394 111.806 108.800 -0.646 0.000 2.225 4337 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.267 4337 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.267 4337 G C -0.857 173.947 174.900 -0.159 0.000 1.024 4337 G CA 0.376 45.219 45.100 -0.429 0.000 0.784 4337 G HN 0.723 nan 8.290 nan 0.000 0.507 4338 V N 0.504 120.360 119.914 -0.095 0.000 2.444 4338 V HA 0.633 4.753 4.120 -0.000 0.000 0.294 4338 V C 0.928 176.982 176.094 -0.066 0.000 1.022 4338 V CA -0.219 62.037 62.300 -0.074 0.000 0.850 4338 V CB 1.599 33.385 31.823 -0.061 0.000 0.992 4338 V HN 0.676 nan 8.190 nan 0.000 0.426 4339 S N 4.715 120.359 115.700 -0.093 0.000 2.561 4339 S HA 0.106 4.576 4.470 -0.000 0.000 0.294 4339 S C 0.811 175.294 174.600 -0.195 0.000 1.294 4339 S CA 0.201 58.334 58.200 -0.110 0.000 1.055 4339 S CB 0.123 63.264 63.200 -0.097 0.000 0.819 4339 S HN 0.775 nan 8.310 nan 0.000 0.503 4340 I N 1.737 122.122 120.570 -0.308 0.000 3.927 4340 I HA 0.301 4.471 4.170 -0.000 0.000 0.332 4340 I C 0.521 176.588 176.117 -0.084 0.000 1.485 4340 I CA -0.394 60.723 61.300 -0.306 0.000 1.131 4340 I CB -0.285 37.342 38.000 -0.622 0.000 1.092 4340 I HN 0.669 nan 8.210 nan 0.000 0.410 4341 T N -2.849 111.697 114.554 -0.013 0.000 1.796 4341 T HA 0.328 4.678 4.350 -0.000 0.000 0.177 4341 T C -0.094 174.623 174.700 0.028 0.000 0.689 4341 T CA -0.394 61.746 62.100 0.067 0.000 1.180 4341 T CB -0.056 68.900 68.868 0.145 0.000 3.041 4341 T HN 0.009 nan 8.240 nan 0.000 0.426 4342 D N 1.914 122.334 120.400 0.034 0.000 2.399 4342 D HA 0.534 5.174 4.640 -0.000 0.000 0.241 4342 D C 0.209 176.489 176.300 -0.034 0.000 1.133 4342 D CA -0.019 53.983 54.000 0.004 0.000 0.890 4342 D CB 0.857 41.644 40.800 -0.022 0.000 1.201 4342 D HN 0.818 nan 8.370 nan 0.000 0.432 4343 A N 1.254 124.065 122.820 -0.016 0.000 2.407 4343 A HA 0.396 4.716 4.320 -0.000 0.000 0.248 4343 A C -0.017 177.514 177.584 -0.088 0.000 1.082 4343 A CA -0.283 51.722 52.037 -0.052 0.000 0.785 4343 A CB 0.226 19.278 19.000 0.086 0.000 1.020 4343 A HN 0.671 nan 8.150 nan 0.000 0.489 4344 C N 0.667 119.836 119.300 -0.218 0.000 2.913 4344 C HA 0.691 5.151 4.460 -0.000 0.000 0.322 4344 C C 0.302 175.108 174.990 -0.306 0.000 1.292 4344 C CA -0.663 58.251 59.018 -0.173 0.000 1.649 4344 C CB 1.011 28.660 27.740 -0.151 0.000 2.139 4344 C HN 0.868 nan 8.230 nan 0.000 0.475 4345 I N 0.971 121.477 120.570 -0.107 0.000 2.612 4345 I HA 0.669 4.839 4.170 -0.000 0.000 0.295 4345 I C 0.614 176.683 176.117 -0.080 0.000 1.011 4345 I CA 0.121 61.384 61.300 -0.063 0.000 1.326 4345 I CB 0.252 38.299 38.000 0.078 0.000 1.427 4345 I HN 0.739 nan 8.210 nan 0.000 0.537 4346 G N 3.049 111.811 108.800 -0.064 0.000 2.616 4346 G HA2 -0.003 3.957 3.960 -0.000 0.000 0.268 4346 G HA3 -0.003 3.957 3.960 -0.000 0.000 0.268 4346 G C 0.261 175.219 174.900 0.096 0.000 1.213 4346 G CA -0.611 44.505 45.100 0.028 0.000 0.926 4346 G HN 1.055 nan 8.290 nan 0.000 0.523 4347 W N 0.122 121.453 121.300 0.052 0.000 2.338 4347 W HA -0.153 4.507 4.660 -0.000 0.000 0.304 4347 W C 1.971 178.501 176.519 0.017 0.000 1.212 4347 W CA 1.910 59.285 57.345 0.049 0.000 1.264 4347 W CB 0.088 29.565 29.460 0.028 0.000 1.142 4347 W HN 0.701 nan 8.180 nan 0.000 0.512 4348 E N -0.148 120.012 120.200 -0.067 0.000 2.051 4348 E HA -0.195 4.155 4.350 -0.000 0.000 0.192 4348 E C 2.140 178.625 176.600 -0.191 0.000 0.991 4348 E CA 2.796 59.119 56.400 -0.129 0.000 0.799 4348 E CB -1.053 28.657 29.700 0.017 0.000 0.748 4348 E HN 0.057 nan 8.360 nan 0.000 0.449 4349 T N 0.337 114.823 114.554 -0.112 0.000 2.720 4349 T HA -0.165 4.185 4.350 -0.000 0.000 0.268 4349 T C 1.886 176.488 174.700 -0.164 0.000 1.037 4349 T CA 1.826 63.875 62.100 -0.085 0.000 1.144 4349 T CB -0.652 68.214 68.868 -0.003 0.000 0.864 4349 T HN 0.231 nan 8.240 nan 0.000 0.444 4350 T N 2.272 116.670 114.554 -0.260 0.000 2.699 4350 T HA -0.156 4.194 4.350 -0.000 0.000 0.268 4350 T C 1.902 176.336 174.700 -0.443 0.000 1.036 4350 T CA 1.404 63.293 62.100 -0.353 0.000 1.147 4350 T CB -0.341 68.226 68.868 -0.502 0.000 0.862 4350 T HN 0.571 nan 8.240 nan 0.000 0.446 4351 E N 0.920 120.761 120.200 -0.598 0.000 2.051 4351 E HA -0.166 4.183 4.350 -0.000 0.000 0.192 4351 E C 2.167 178.632 176.600 -0.225 0.000 0.991 4351 E CA 1.290 57.425 56.400 -0.441 0.000 0.799 4351 E CB -0.222 29.247 29.700 -0.385 0.000 0.748 4351 E HN 0.452 nan 8.360 nan 0.000 0.449 4352 D N 0.527 120.823 120.400 -0.174 0.000 2.123 4352 D HA -0.143 4.497 4.640 -0.000 0.000 0.196 4352 D C 2.123 178.374 176.300 -0.081 0.000 0.992 4352 D CA 0.815 54.755 54.000 -0.100 0.000 0.833 4352 D CB -0.395 40.361 40.800 -0.074 0.000 0.954 4352 D HN 0.013 nan 8.370 nan 0.000 0.455 4353 V N 0.989 120.851 119.914 -0.086 0.000 2.295 4353 V HA -0.220 3.900 4.120 -0.000 0.000 0.246 4353 V C 2.638 178.712 176.094 -0.034 0.000 1.049 4353 V CA 1.247 63.526 62.300 -0.035 0.000 1.024 4353 V CB -0.457 31.362 31.823 -0.006 0.000 0.648 4353 V HN 0.208 nan 8.190 nan 0.000 0.447 4354 L N -0.718 120.453 121.223 -0.087 0.000 2.056 4354 L HA -0.124 4.216 4.340 -0.000 0.000 0.207 4354 L C 2.769 179.605 176.870 -0.056 0.000 1.078 4354 L CA 1.497 56.291 54.840 -0.078 0.000 0.749 4354 L CB -0.595 41.392 42.059 -0.120 0.000 0.901 4354 L HN 0.240 nan 8.230 nan 0.000 0.433 4355 R N 0.120 120.582 120.500 -0.064 0.000 2.115 4355 R HA -0.178 4.162 4.340 -0.000 0.000 0.230 4355 R C 2.268 178.550 176.300 -0.029 0.000 1.111 4355 R CA 1.116 57.190 56.100 -0.044 0.000 0.976 4355 R CB -0.200 30.073 30.300 -0.045 0.000 0.870 4355 R HN 0.284 nan 8.270 nan 0.000 0.445 4356 K N 1.068 121.451 120.400 -0.028 0.000 2.103 4356 K HA -0.055 4.265 4.320 -0.000 0.000 0.204 4356 K C 2.067 178.663 176.600 -0.006 0.000 1.052 4356 K CA 0.761 57.038 56.287 -0.017 0.000 0.945 4356 K CB 0.029 32.518 32.500 -0.018 0.000 0.722 4356 K HN 0.127 nan 8.250 nan 0.000 0.443 4357 L N 0.468 121.692 121.223 0.002 0.000 2.056 4357 L HA -0.145 4.195 4.340 -0.000 0.000 0.207 4357 L C 2.390 179.260 176.870 -0.001 0.000 1.078 4357 L CA 1.394 56.243 54.840 0.016 0.000 0.749 4357 L CB -0.448 41.626 42.059 0.024 0.000 0.901 4357 L HN 0.293 nan 8.230 nan 0.000 0.433 4358 A N -0.179 122.634 122.820 -0.012 0.000 1.908 4358 A HA -0.246 4.074 4.320 -0.000 0.000 0.218 4358 A C 2.429 180.007 177.584 -0.010 0.000 1.181 4358 A CA 1.877 53.905 52.037 -0.014 0.000 0.627 4358 A CB -0.803 18.186 19.000 -0.019 0.000 0.818 4358 A HN 0.540 nan 8.150 nan 0.000 0.445 4359 A N -0.211 122.603 122.820 -0.010 0.000 1.902 4359 A HA 0.147 4.467 4.320 -0.000 0.000 0.217 4359 A C 2.530 180.111 177.584 -0.004 0.000 1.181 4359 A CA 2.187 54.220 52.037 -0.007 0.000 0.623 4359 A CB -1.087 17.907 19.000 -0.009 0.000 0.818 4359 A HN 1.130 nan 8.150 nan 0.000 0.443 4360 A N -0.482 122.337 122.820 -0.001 0.000 1.908 4360 A HA -0.050 4.270 4.320 -0.000 0.000 0.218 4360 A C 2.226 179.812 177.584 0.002 0.000 1.181 4360 A CA 1.923 53.961 52.037 0.003 0.000 0.627 4360 A CB -1.013 17.992 19.000 0.009 0.000 0.818 4360 A HN 0.438 nan 8.150 nan 0.000 0.445 4361 V N -0.393 119.521 119.914 0.000 0.000 2.343 4361 V HA -0.279 3.841 4.120 -0.000 0.000 0.247 4361 V C 2.640 178.732 176.094 -0.003 0.000 1.051 4361 V CA 2.392 64.690 62.300 -0.002 0.000 1.036 4361 V CB -0.803 31.015 31.823 -0.007 0.000 0.654 4361 V HN 0.529 nan 8.190 nan 0.000 0.451 4362 R N -0.356 120.141 120.500 -0.004 0.000 2.075 4362 R HA -0.175 4.165 4.340 -0.000 0.000 0.232 4362 R C 2.425 178.724 176.300 -0.002 0.000 1.126 4362 R CA 1.377 57.475 56.100 -0.003 0.000 0.963 4362 R CB -0.347 29.951 30.300 -0.004 0.000 0.858 4362 R HN 0.404 nan 8.270 nan 0.000 0.435 4363 Q N 0.457 120.256 119.800 -0.001 0.000 2.291 4363 Q HA -0.102 4.238 4.340 -0.000 0.000 0.205 4363 Q C 1.767 177.768 176.000 0.001 0.000 0.970 4363 Q CA 1.464 57.267 55.803 -0.000 0.000 0.876 4363 Q CB -0.049 28.689 28.738 -0.000 0.000 0.935 4363 Q HN 0.167 nan 8.270 nan 0.000 0.455 4364 R N -0.687 119.814 120.500 0.002 0.000 2.093 4364 R HA 0.029 4.369 4.340 -0.000 0.000 0.224 4364 R C 2.028 178.330 176.300 0.002 0.000 1.101 4364 R CA 0.784 56.886 56.100 0.003 0.000 0.979 4364 R CB 0.066 30.368 30.300 0.004 0.000 0.877 4364 R HN 0.159 nan 8.270 nan 0.000 0.441 4365 R N 0.286 120.787 120.500 0.001 0.000 2.105 4365 R HA -0.112 4.228 4.340 -0.000 0.000 0.239 4365 R C 1.961 178.262 176.300 0.001 0.000 1.135 4365 R CA 1.294 57.394 56.100 0.001 0.000 0.967 4365 R CB -0.122 30.177 30.300 -0.001 0.000 0.861 4365 R HN 0.272 nan 8.270 nan 0.000 0.442 4366 E N 0.406 120.607 120.200 0.001 0.000 2.072 4366 E HA -0.120 4.230 4.350 -0.000 0.000 0.191 4366 E C 2.211 178.812 176.600 0.002 0.000 0.985 4366 E CA 0.920 57.321 56.400 0.001 0.000 0.801 4366 E CB -0.227 29.474 29.700 0.001 0.000 0.750 4366 E HN 0.123 nan 8.360 nan 0.000 0.452 4367 V N 2.751 122.666 119.914 0.003 0.000 2.295 4367 V HA -0.248 3.872 4.120 -0.000 0.000 0.246 4367 V C 1.832 177.929 176.094 0.004 0.000 1.049 4367 V CA 1.761 64.063 62.300 0.004 0.000 1.024 4367 V CB -0.566 31.260 31.823 0.005 0.000 0.648 4367 V HN 0.234 nan 8.190 nan 0.000 0.447 4368 N N -0.249 118.453 118.700 0.004 0.000 2.520 4368 N HA -0.064 4.676 4.740 -0.000 0.000 0.185 4368 N C 0.968 176.481 175.510 0.004 0.000 1.068 4368 N CA 0.524 53.577 53.050 0.005 0.000 0.911 4368 N CB -0.170 38.319 38.487 0.005 0.000 0.961 4368 N HN 0.471 nan 8.380 nan 0.000 0.446 4369 K N 0.000 120.402 120.400 0.004 0.000 2.780 4369 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 4369 K CA 0.000 56.289 56.287 0.003 0.000 0.838 4369 K CB 0.000 32.502 32.500 0.003 0.000 1.064 4369 K HN 0.000 nan 8.250 nan 0.000 0.543