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 1mx5_1_D DATA FIRST_RESID 4021 DATA SEQUENCE SSPPVVDTVH GKVLGKFVSL EGFAQPVAIF LGIPFAKPPL GPLRFTPPQP DATA SEQUENCE AEPWSFVKNA TSYPPMcTQD PKAGQLLSEL FTNRKENIPL KLSEDcLYLN DATA SEQUENCE IYTPADLTKK NRLPVMVWIH GGGLMVGAAS TYDGLALAAH ENVVVVTIQY DATA SEQUENCE RLGIWGFFST GDEHSRGNWG HLDQVAALRW VQDNIASFGG NPGSVTIFGE DATA SEQUENCE SAGGESVSVL VLSPLAKNLF HRAISESGVA LTSVLVKKGD VKPLAEQIAI DATA SEQUENCE TAGcKTTTSA VMVHcLRQKT EEELLETTLK MKFLSLDLQG DPRESQPLLG DATA SEQUENCE TVIDGMLLLK TPEELQAERN FHTVPYMVGI NKQEFGWLIP MXLMSYPLSE DATA SEQUENCE GQLDQKTAMS LLWKSYPLVC IAKELIPEAT EKYLGGTDDT VKKKDLFLDL DATA SEQUENCE IADVMFGVPS VIVARNHRDA GAPTYMYEFQ YRPSFSSDMK PKTVIGDHGD DATA SEQUENCE ELFSVFGAPF LKEGASEEEI RLSKMVMKFW ANFARNGNPN GEGLPHWPEY DATA SEQUENCE NQKEGYLQIG ANTQAAQKLK DKEVAFWTNL FAK 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 4021 S HA 0.000 nan 4.470 nan 0.000 0.327 4021 S C 0.000 174.729 174.600 0.214 0.000 1.055 4021 S CA 0.000 58.285 58.200 0.141 0.000 1.107 4021 S CB 0.000 63.238 63.200 0.064 0.000 0.593 4022 S N 3.333 119.151 115.700 0.196 0.000 2.474 4022 S HA 0.514 4.984 4.470 -0.000 0.000 0.276 4022 S C -2.540 172.140 174.600 0.133 0.000 1.227 4022 S CA -0.850 57.431 58.200 0.136 0.000 1.050 4022 S CB 0.136 63.396 63.200 0.100 0.000 0.939 4022 S HN 0.320 nan 8.310 nan 0.000 0.490 4023 P HA -0.033 nan 4.420 nan 0.000 0.261 4023 P C -2.532 174.693 177.300 -0.125 0.000 1.140 4023 P CA -0.359 62.694 63.100 -0.079 0.000 0.757 4023 P CB -0.326 31.346 31.700 -0.048 0.000 0.735 4024 P HA 0.056 nan 4.420 nan 0.000 0.267 4024 P C -0.697 176.624 177.300 0.035 0.000 1.209 4024 P CA 0.355 63.311 63.100 -0.240 0.000 0.763 4024 P CB 0.553 31.902 31.700 -0.584 0.000 0.816 4025 V N 5.294 125.264 119.914 0.094 0.000 2.487 4025 V HA 0.356 4.476 4.120 -0.000 0.000 0.298 4025 V C 0.053 176.193 176.094 0.076 0.000 1.028 4025 V CA -0.578 61.802 62.300 0.133 0.000 0.860 4025 V CB 2.228 34.106 31.823 0.091 0.000 0.991 4025 V HN 0.213 nan 8.190 nan 0.000 0.427 4026 V N 3.222 123.152 119.914 0.027 0.000 2.680 4026 V HA 0.465 4.585 4.120 -0.000 0.000 0.309 4026 V C -0.508 175.496 176.094 -0.151 0.000 1.052 4026 V CA -0.678 61.498 62.300 -0.206 0.000 0.908 4026 V CB 2.242 33.650 31.823 -0.691 0.000 1.001 4026 V HN 0.849 nan 8.190 nan 0.000 0.431 4027 D N 3.147 123.443 120.400 -0.175 0.000 2.359 4027 D HA 0.363 5.003 4.640 -0.000 0.000 0.230 4027 D C 0.180 176.387 176.300 -0.155 0.000 1.118 4027 D CA 0.056 53.990 54.000 -0.110 0.000 0.844 4027 D CB 1.542 42.284 40.800 -0.095 0.000 1.059 4027 D HN 0.785 nan 8.370 nan 0.000 0.493 4028 T N -0.646 113.865 114.554 -0.071 0.000 2.910 4028 T HA 0.257 4.607 4.350 -0.000 0.000 0.279 4028 T C 1.683 176.269 174.700 -0.191 0.000 0.989 4028 T CA -0.681 61.372 62.100 -0.078 0.000 0.968 4028 T CB 0.920 69.905 68.868 0.195 0.000 1.135 4028 T HN 0.026 nan 8.240 nan 0.000 0.562 4029 V N 1.166 120.900 119.914 -0.299 0.000 2.324 4029 V HA -0.159 3.961 4.120 -0.000 0.000 0.250 4029 V C 2.255 178.044 176.094 -0.508 0.000 1.060 4029 V CA 1.773 63.810 62.300 -0.439 0.000 1.042 4029 V CB -1.079 30.372 31.823 -0.620 0.000 0.650 4029 V HN 0.861 nan 8.190 nan 0.000 0.450 4030 H N -0.413 118.454 119.070 -0.338 0.000 2.551 4030 H HA 0.495 5.051 4.556 -0.000 0.000 0.271 4030 H C 0.907 175.353 175.328 -1.470 0.000 0.984 4030 H CA 0.895 56.508 56.048 -0.725 0.000 1.164 4030 H CB 0.450 29.843 29.762 -0.614 0.000 1.437 4030 H HN 0.522 nan 8.280 nan 0.000 0.550 4031 G N 0.588 108.846 108.800 -0.904 0.000 2.333 4031 G HA2 -0.038 3.922 3.960 -0.000 0.000 0.330 4031 G HA3 -0.038 3.922 3.960 -0.000 0.000 0.330 4031 G C -1.307 173.606 174.900 0.022 0.000 1.465 4031 G CA -1.217 43.415 45.100 -0.781 0.000 0.996 4031 G HN 0.045 nan 8.290 nan 0.000 0.655 4032 K N -0.193 120.340 120.400 0.222 0.000 2.350 4032 K HA 0.481 4.801 4.320 -0.000 0.000 0.279 4032 K C 0.627 177.510 176.600 0.470 0.000 1.027 4032 K CA -0.308 56.151 56.287 0.287 0.000 0.969 4032 K CB 1.547 34.164 32.500 0.196 0.000 0.954 4032 K HN 1.000 nan 8.250 nan 0.000 0.474 4033 V N 0.971 121.095 119.914 0.349 0.000 2.715 4033 V HA 0.516 4.636 4.120 -0.000 0.000 0.310 4033 V C -0.727 175.552 176.094 0.308 0.000 1.054 4033 V CA -1.138 61.361 62.300 0.333 0.000 0.928 4033 V CB 1.763 33.797 31.823 0.351 0.000 1.007 4033 V HN 0.614 nan 8.190 nan 0.000 0.437 4034 L N 4.130 125.521 121.223 0.281 0.000 2.319 4034 L HA 0.864 5.204 4.340 -0.000 0.000 0.281 4034 L C 0.255 177.233 176.870 0.180 0.000 1.005 4034 L CA 0.460 55.431 54.840 0.218 0.000 0.828 4034 L CB 0.812 42.933 42.059 0.103 0.000 1.227 4034 L HN 1.049 nan 8.230 nan 0.000 0.415 4035 G N 4.801 113.620 108.800 0.032 0.000 2.828 4035 G HA2 0.614 4.574 3.960 -0.000 0.000 0.244 4035 G HA3 0.614 4.574 3.960 -0.000 0.000 0.244 4035 G C -1.184 173.431 174.900 -0.474 0.000 1.365 4035 G CA -0.564 44.233 45.100 -0.505 0.000 1.041 4035 G HN 0.709 nan 8.290 nan 0.000 0.560 4036 K N -1.273 118.783 120.400 -0.574 0.000 2.469 4036 K HA 0.588 4.908 4.320 -0.000 0.000 0.254 4036 K C -1.687 174.701 176.600 -0.352 0.000 0.939 4036 K CA -0.819 55.245 56.287 -0.371 0.000 0.812 4036 K CB 2.101 34.473 32.500 -0.214 0.000 1.301 4036 K HN 0.286 nan 8.250 nan 0.000 0.433 4037 F N 1.818 121.699 119.950 -0.116 0.000 2.410 4037 F HA 0.368 4.895 4.527 0.000 0.000 0.348 4037 F C -0.326 175.451 175.800 -0.038 0.000 1.106 4037 F CA -0.754 57.204 58.000 -0.070 0.000 1.163 4037 F CB 1.759 40.741 39.000 -0.031 0.000 1.129 4037 F HN 0.125 nan 8.300 nan 0.000 0.516 4038 V N 3.018 123.076 119.914 0.240 0.000 2.577 4038 V HA 0.308 4.428 4.120 -0.000 0.000 0.303 4038 V C -0.584 175.592 176.094 0.137 0.000 1.042 4038 V CA -0.783 61.605 62.300 0.147 0.000 0.872 4038 V CB 1.891 33.784 31.823 0.117 0.000 0.998 4038 V HN 0.692 nan 8.190 nan 0.000 0.423 4039 S N 4.541 120.305 115.700 0.106 0.000 2.462 4039 S HA 0.648 5.118 4.470 -0.000 0.000 0.294 4039 S C -0.548 174.124 174.600 0.120 0.000 1.144 4039 S CA -0.396 57.864 58.200 0.100 0.000 1.088 4039 S CB 1.410 64.655 63.200 0.076 0.000 1.009 4039 S HN 0.596 nan 8.310 nan 0.000 0.484 4040 L N 3.623 124.930 121.223 0.140 0.000 2.276 4040 L HA 0.451 4.791 4.340 -0.000 0.000 0.286 4040 L C 0.176 177.219 176.870 0.290 0.000 1.061 4040 L CA -0.460 54.485 54.840 0.176 0.000 0.807 4040 L CB 0.580 42.686 42.059 0.078 0.000 1.177 4040 L HN 0.641 nan 8.230 nan 0.000 0.429 4041 E N 4.322 124.659 120.200 0.229 0.000 3.601 4041 E HA 0.104 4.454 4.350 -0.000 0.000 0.255 4041 E C 1.166 177.883 176.600 0.196 0.000 0.855 4041 E CA 1.581 58.097 56.400 0.194 0.000 0.956 4041 E CB -0.455 29.359 29.700 0.190 0.000 0.892 4041 E HN 0.922 nan 8.360 nan 0.000 0.575 4042 G N 3.430 112.276 108.800 0.077 0.000 2.299 4042 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.237 4042 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.237 4042 G C 0.090 174.850 174.900 -0.234 0.000 1.027 4042 G CA -0.012 45.029 45.100 -0.098 0.000 0.619 4042 G HN 0.427 nan 8.290 nan 0.000 0.513 4043 F N 1.613 121.535 119.950 -0.047 0.000 2.420 4043 F HA 0.690 5.217 4.527 0.000 0.000 0.352 4043 F C 1.507 177.279 175.800 -0.046 0.000 1.108 4043 F CA 0.027 57.989 58.000 -0.063 0.000 1.162 4043 F CB 1.527 40.480 39.000 -0.078 0.000 1.118 4043 F HN 0.175 nan 8.300 nan 0.000 0.510 4044 A N 2.218 125.077 122.820 0.064 0.000 1.872 4044 A HA -0.133 4.187 4.320 -0.000 0.000 0.214 4044 A C 1.226 178.822 177.584 0.021 0.000 1.187 4044 A CA 0.613 52.662 52.037 0.019 0.000 0.614 4044 A CB -0.597 18.394 19.000 -0.015 0.000 0.826 4044 A HN 0.662 nan 8.150 nan 0.000 0.442 4045 Q N 1.620 121.454 119.800 0.056 0.000 2.244 4045 Q HA 0.188 4.528 4.340 -0.000 0.000 0.276 4045 Q C -2.391 173.623 176.000 0.022 0.000 1.122 4045 Q CA -1.836 53.982 55.803 0.025 0.000 0.920 4045 Q CB 0.309 29.086 28.738 0.065 0.000 1.186 4045 Q HN 0.376 nan 8.270 nan 0.000 0.393 4046 P HA 0.086 nan 4.420 nan 0.000 0.278 4046 P C -0.984 176.388 177.300 0.120 0.000 1.238 4046 P CA -0.380 62.697 63.100 -0.039 0.000 0.794 4046 P CB 1.115 32.633 31.700 -0.304 0.000 0.955 4047 V N 2.495 122.524 119.914 0.191 0.000 2.432 4047 V HA 0.348 4.468 4.120 -0.000 0.000 0.275 4047 V C 0.885 177.163 176.094 0.307 0.000 1.043 4047 V CA -0.540 61.901 62.300 0.235 0.000 0.925 4047 V CB 0.621 32.558 31.823 0.188 0.000 0.985 4047 V HN 0.721 nan 8.190 nan 0.000 0.466 4048 A N 7.447 130.442 122.820 0.291 0.000 2.347 4048 A HA 0.690 5.010 4.320 -0.000 0.000 0.287 4048 A C -0.303 177.166 177.584 -0.192 0.000 1.199 4048 A CA -0.191 51.826 52.037 -0.034 0.000 0.851 4048 A CB -0.246 18.782 19.000 0.046 0.000 1.118 4048 A HN 0.778 nan 8.150 nan 0.000 0.525 4049 I N 2.188 122.471 120.570 -0.478 0.000 2.441 4049 I HA 0.472 4.642 4.170 -0.000 0.000 0.295 4049 I C -1.206 174.448 176.117 -0.772 0.000 0.994 4049 I CA -0.390 60.604 61.300 -0.510 0.000 1.144 4049 I CB 1.719 39.488 38.000 -0.385 0.000 1.314 4049 I HN 0.530 nan 8.210 nan 0.000 0.445 4050 F N 6.070 125.876 119.950 -0.239 0.000 2.499 4050 F HA 0.532 5.059 4.527 -0.000 0.000 0.333 4050 F C -0.355 175.316 175.800 -0.215 0.000 1.138 4050 F CA -0.580 57.328 58.000 -0.153 0.000 0.945 4050 F CB 1.246 40.244 39.000 -0.002 0.000 1.181 4050 F HN 0.101 nan 8.300 nan 0.000 0.435 4051 L N 2.597 123.767 121.223 -0.088 0.000 2.309 4051 L HA 0.687 5.027 4.340 -0.000 0.000 0.282 4051 L C 0.821 177.649 176.870 -0.070 0.000 1.036 4051 L CA -0.973 53.790 54.840 -0.128 0.000 0.806 4051 L CB 1.519 43.375 42.059 -0.338 0.000 1.220 4051 L HN 0.914 nan 8.230 nan 0.000 0.429 4052 G N 3.611 112.401 108.800 -0.016 0.000 2.333 4052 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.296 4052 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.296 4052 G C -0.260 174.713 174.900 0.121 0.000 1.059 4052 G CA -0.327 44.756 45.100 -0.028 0.000 1.050 4052 G HN 0.486 nan 8.290 nan 0.000 0.508 4053 I N 2.194 122.829 120.570 0.108 0.000 2.325 4053 I HA 0.241 4.411 4.170 -0.000 0.000 0.291 4053 I C -1.418 174.686 176.117 -0.022 0.000 1.019 4053 I CA -2.277 59.038 61.300 0.026 0.000 1.302 4053 I CB 1.458 39.390 38.000 -0.113 0.000 1.401 4053 I HN 0.049 nan 8.210 nan 0.000 0.485 4054 P HA 0.038 nan 4.420 nan 0.000 0.276 4054 P C -0.287 176.852 177.300 -0.267 0.000 1.230 4054 P CA 0.034 62.898 63.100 -0.394 0.000 0.776 4054 P CB 0.650 32.167 31.700 -0.305 0.000 0.888 4055 F N 1.084 120.800 119.950 -0.391 0.000 2.728 4055 F HA 0.711 5.238 4.527 -0.000 0.000 0.314 4055 F C 0.014 175.796 175.800 -0.030 0.000 1.094 4055 F CA -0.819 56.996 58.000 -0.309 0.000 1.217 4055 F CB 0.056 38.778 39.000 -0.463 0.000 1.056 4055 F HN 0.354 nan 8.300 nan 0.000 0.577 4056 A N 0.856 123.403 122.820 -0.455 0.000 2.587 4056 A HA 0.544 4.864 4.320 -0.000 0.000 0.293 4056 A C -1.089 176.308 177.584 -0.311 0.000 1.087 4056 A CA -1.052 50.819 52.037 -0.277 0.000 0.692 4056 A CB 1.125 19.916 19.000 -0.348 0.000 1.291 4056 A HN 0.200 nan 8.150 nan 0.000 0.407 4057 K N 0.992 121.286 120.400 -0.177 0.000 2.350 4057 K HA 0.366 4.686 4.320 -0.000 0.000 0.279 4057 K C -2.438 174.044 176.600 -0.198 0.000 1.027 4057 K CA -1.383 54.808 56.287 -0.159 0.000 0.969 4057 K CB 0.269 32.713 32.500 -0.093 0.000 0.954 4057 K HN 0.322 nan 8.250 nan 0.000 0.474 4058 P HA -0.037 nan 4.420 nan 0.000 0.261 4058 P C -2.422 174.791 177.300 -0.145 0.000 1.183 4058 P CA -0.769 62.224 63.100 -0.179 0.000 0.761 4058 P CB 0.224 31.852 31.700 -0.120 0.000 0.785 4059 P HA 0.090 nan 4.420 nan 0.000 0.220 4059 P C -0.667 176.550 177.300 -0.138 0.000 1.806 4059 P CA 0.364 63.377 63.100 -0.145 0.000 0.976 4059 P CB 0.040 31.650 31.700 -0.151 0.000 1.952 4060 L N -0.068 121.087 121.223 -0.113 0.000 2.358 4060 L HA 0.612 4.952 4.340 -0.000 0.000 0.268 4060 L C 1.676 178.491 176.870 -0.092 0.000 1.032 4060 L CA -0.439 54.344 54.840 -0.095 0.000 0.805 4060 L CB 0.446 42.461 42.059 -0.074 0.000 1.253 4060 L HN 0.298 nan 8.230 nan 0.000 0.452 4061 G N 1.368 110.120 108.800 -0.080 0.000 2.672 4061 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.324 4061 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.324 4061 G C -1.233 173.617 174.900 -0.084 0.000 1.286 4061 G CA 0.392 45.450 45.100 -0.071 0.000 1.004 4061 G HN 0.637 nan 8.290 nan 0.000 0.548 4062 P HA 0.007 nan 4.420 nan 0.000 0.223 4062 P C 1.884 179.137 177.300 -0.079 0.000 1.144 4062 P CA 1.348 64.422 63.100 -0.043 0.000 0.783 4062 P CB -0.123 31.569 31.700 -0.013 0.000 0.771 4063 L N -1.185 119.974 121.223 -0.107 0.000 2.599 4063 L HA 0.086 4.426 4.340 -0.000 0.000 0.230 4063 L C 1.752 178.480 176.870 -0.236 0.000 1.141 4063 L CA -0.109 54.645 54.840 -0.142 0.000 0.877 4063 L CB -0.458 41.531 42.059 -0.117 0.000 1.009 4063 L HN -0.050 nan 8.230 nan 0.000 0.447 4064 R N 0.570 120.898 120.500 -0.286 0.000 2.438 4064 R HA 0.054 4.394 4.340 -0.000 0.000 0.287 4064 R C -0.273 175.670 176.300 -0.596 0.000 1.077 4064 R CA -0.288 55.497 56.100 -0.525 0.000 1.034 4064 R CB 0.324 30.244 30.300 -0.634 0.000 0.993 4064 R HN 0.038 nan 8.270 nan 0.000 0.459 4065 F N 0.289 119.852 119.950 -0.645 0.000 3.080 4065 F HA -0.257 4.270 4.527 0.000 0.000 0.292 4065 F C -0.096 174.711 175.800 -1.656 0.000 0.891 4065 F CA 1.378 58.641 58.000 -1.229 0.000 1.086 4065 F CB -2.520 36.220 39.000 -0.434 0.000 1.095 4065 F HN 0.660 nan 8.300 nan 0.000 0.633 4066 T N -3.509 110.294 114.554 -1.252 0.000 2.883 4066 T HA 0.757 5.107 4.350 -0.000 0.000 0.301 4066 T C -3.043 171.467 174.700 -0.317 0.000 1.158 4066 T CA -2.432 59.216 62.100 -0.753 0.000 1.007 4066 T CB 3.303 71.999 68.868 -0.286 0.000 1.186 4066 T HN -0.246 nan 8.240 nan 0.000 0.499 4067 P HA 0.228 nan 4.420 nan 0.000 0.267 4067 P C -2.318 175.048 177.300 0.110 0.000 1.200 4067 P CA -0.829 62.415 63.100 0.240 0.000 0.772 4067 P CB -0.332 31.514 31.700 0.244 0.000 0.855 4068 P HA 0.004 nan 4.420 nan 0.000 0.268 4068 P C -0.697 176.653 177.300 0.083 0.000 1.204 4068 P CA 0.388 63.542 63.100 0.091 0.000 0.768 4068 P CB 0.737 32.535 31.700 0.164 0.000 0.842 4069 Q N 3.351 123.171 119.800 0.034 0.000 2.266 4069 Q HA 0.410 4.750 4.340 -0.000 0.000 0.261 4069 Q C -2.234 173.790 176.000 0.041 0.000 0.985 4069 Q CA -2.183 53.642 55.803 0.037 0.000 0.873 4069 Q CB 0.907 29.648 28.738 0.005 0.000 1.306 4069 Q HN 0.359 nan 8.270 nan 0.000 0.447 4070 P HA -0.088 nan 4.420 nan 0.000 0.266 4070 P C -1.213 176.068 177.300 -0.033 0.000 1.193 4070 P CA 0.296 63.445 63.100 0.083 0.000 0.770 4070 P CB 0.459 32.223 31.700 0.107 0.000 0.836 4071 A N 2.528 125.280 122.820 -0.112 0.000 2.351 4071 A HA 0.215 4.535 4.320 -0.000 0.000 0.257 4071 A C 0.287 177.654 177.584 -0.362 0.000 1.087 4071 A CA -0.328 51.585 52.037 -0.207 0.000 0.798 4071 A CB 0.017 18.957 19.000 -0.100 0.000 1.033 4071 A HN 0.430 nan 8.150 nan 0.000 0.488 4072 E N 2.271 122.385 120.200 -0.144 0.000 2.338 4072 E HA 0.278 4.628 4.350 -0.000 0.000 0.272 4072 E C -2.173 174.408 176.600 -0.031 0.000 1.029 4072 E CA -1.679 54.669 56.400 -0.085 0.000 0.872 4072 E CB 0.403 30.102 29.700 -0.001 0.000 1.015 4072 E HN 0.478 nan 8.360 nan 0.000 0.417 4073 P HA 0.102 nan 4.420 nan 0.000 0.271 4073 P C -0.811 176.487 177.300 -0.003 0.000 1.218 4073 P CA -0.251 62.773 63.100 -0.127 0.000 0.780 4073 P CB 0.286 31.927 31.700 -0.097 0.000 0.901 4074 W N 0.824 122.143 121.300 0.032 0.000 2.761 4074 W HA 0.640 5.300 4.660 -0.000 0.000 0.340 4074 W C -0.868 175.606 176.519 -0.074 0.000 1.072 4074 W CA -0.941 56.397 57.345 -0.012 0.000 1.215 4074 W CB 0.192 29.671 29.460 0.031 0.000 1.420 4074 W HN 0.148 nan 8.180 nan 0.000 0.519 4075 S N 2.465 118.169 115.700 0.007 0.000 2.617 4075 S HA 0.637 5.107 4.470 -0.000 0.000 0.269 4075 S C -0.161 174.332 174.600 -0.179 0.000 1.292 4075 S CA -0.239 57.731 58.200 -0.384 0.000 1.010 4075 S CB 0.104 62.748 63.200 -0.925 0.000 0.944 4075 S HN 0.610 nan 8.310 nan 0.000 0.536 4076 F N -1.595 118.448 119.950 0.154 0.000 2.183 4076 F HA -0.258 4.269 4.527 0.000 0.000 0.318 4076 F C -0.004 175.936 175.800 0.233 0.000 0.129 4076 F CA -0.238 57.853 58.000 0.152 0.000 0.912 4076 F CB -0.997 38.076 39.000 0.122 0.000 4.135 4076 F HN 0.318 nan 8.300 nan 0.000 0.137 4077 V N 0.918 121.080 119.914 0.414 0.000 2.394 4077 V HA 0.305 4.425 4.120 -0.000 0.000 0.282 4077 V C 0.043 176.282 176.094 0.241 0.000 1.031 4077 V CA -0.713 61.777 62.300 0.316 0.000 0.881 4077 V CB 1.460 33.408 31.823 0.209 0.000 0.982 4077 V HN 0.467 nan 8.190 nan 0.000 0.451 4078 K N 3.833 124.361 120.400 0.214 0.000 2.227 4078 K HA 0.279 4.599 4.320 -0.000 0.000 0.280 4078 K C -0.067 176.533 176.600 -0.000 0.000 1.041 4078 K CA -0.514 55.738 56.287 -0.058 0.000 0.905 4078 K CB 0.417 32.591 32.500 -0.543 0.000 1.068 4078 K HN 0.621 nan 8.250 nan 0.000 0.470 4079 N N 2.657 121.337 118.700 -0.034 0.000 2.402 4079 N HA 0.099 4.839 4.740 -0.000 0.000 0.259 4079 N C -1.056 174.427 175.510 -0.044 0.000 1.167 4079 N CA 0.097 53.134 53.050 -0.022 0.000 0.949 4079 N CB 1.038 39.501 38.487 -0.040 0.000 1.212 4079 N HN 0.581 nan 8.380 nan 0.000 0.493 4080 A N 2.478 125.307 122.820 0.016 0.000 3.173 4080 A HA 0.261 4.580 4.320 -0.000 0.000 0.304 4080 A C 0.708 178.261 177.584 -0.052 0.000 1.318 4080 A CA -0.527 51.518 52.037 0.014 0.000 1.069 4080 A CB -0.508 18.592 19.000 0.166 0.000 1.147 4080 A HN 0.573 nan 8.150 nan 0.000 0.547 4081 T N -3.263 111.219 114.554 -0.121 0.000 3.275 4081 T HA 0.391 4.741 4.350 -0.000 0.000 0.298 4081 T C 0.094 174.648 174.700 -0.244 0.000 0.988 4081 T CA -0.071 61.917 62.100 -0.187 0.000 0.936 4081 T CB -0.088 68.690 68.868 -0.150 0.000 1.159 4081 T HN 0.187 nan 8.240 nan 0.000 0.519 4082 S N 0.865 116.419 115.700 -0.243 0.000 2.538 4082 S HA 0.599 5.069 4.470 -0.000 0.000 0.288 4082 S C -1.265 173.185 174.600 -0.251 0.000 1.108 4082 S CA -0.746 57.304 58.200 -0.249 0.000 0.971 4082 S CB 0.852 63.954 63.200 -0.162 0.000 1.041 4082 S HN 0.328 nan 8.310 nan 0.000 0.483 4083 Y N 3.765 124.001 120.300 -0.107 0.000 2.610 4083 Y HA 0.186 4.736 4.550 -0.000 0.000 0.332 4083 Y C -1.457 174.335 175.900 -0.179 0.000 1.201 4083 Y CA -1.060 56.975 58.100 -0.109 0.000 1.465 4083 Y CB -0.084 38.330 38.460 -0.077 0.000 1.283 4083 Y HN 0.402 nan 8.280 nan 0.000 0.563 4084 P HA 0.218 nan 4.420 nan 0.000 0.276 4084 P C -2.714 174.488 177.300 -0.165 0.000 1.261 4084 P CA -1.807 61.115 63.100 -0.295 0.000 0.800 4084 P CB 0.664 32.088 31.700 -0.461 0.000 1.066 4085 P HA 0.201 nan 4.420 nan 0.000 0.272 4085 P C -0.076 177.165 177.300 -0.098 0.000 1.223 4085 P CA -0.012 63.009 63.100 -0.131 0.000 0.784 4085 P CB 0.185 31.805 31.700 -0.134 0.000 0.923 4086 M N 0.194 119.727 119.600 -0.112 0.000 2.342 4086 M HA 0.445 4.925 4.480 -0.000 0.000 0.332 4086 M C -0.668 175.542 176.300 -0.149 0.000 1.166 4086 M CA -0.570 54.659 55.300 -0.119 0.000 1.086 4086 M CB 0.483 32.998 32.600 -0.141 0.000 1.541 4086 M HN 0.112 nan 8.290 nan 0.000 0.462 4087 c N 2.205 120.712 118.600 -0.154 0.000 2.611 4087 c HA 0.097 4.667 4.570 -0.000 0.000 0.416 4087 c C 0.938 174.843 174.090 -0.307 0.000 1.366 4087 c CA -0.104 56.089 56.329 -0.227 0.000 1.761 4087 c CB -0.629 41.775 42.510 -0.176 0.000 2.619 4087 c HN 0.877 nan 8.230 nan 0.000 0.606 4088 T N 4.841 119.069 114.554 -0.545 0.000 2.867 4088 T HA 0.206 4.556 4.350 -0.000 0.000 0.290 4088 T C 0.065 174.542 174.700 -0.373 0.000 1.025 4088 T CA 0.602 62.310 62.100 -0.654 0.000 1.146 4088 T CB -0.171 67.815 68.868 -1.471 0.000 1.024 4088 T HN 0.900 nan 8.240 nan 0.000 0.519 4089 Q N 0.966 120.678 119.800 -0.148 0.000 2.841 4089 Q HA 0.321 4.661 4.340 -0.000 0.000 0.309 4089 Q C -1.613 174.415 176.000 0.046 0.000 0.868 4089 Q CA -1.158 54.659 55.803 0.023 0.000 0.760 4089 Q CB 0.900 29.639 28.738 0.000 0.000 1.454 4089 Q HN 0.385 nan 8.270 nan 0.000 0.449 4090 D N 2.197 122.647 120.400 0.083 0.000 2.389 4090 D HA 0.047 4.687 4.640 -0.000 0.000 0.263 4090 D C -1.257 175.054 176.300 0.018 0.000 1.255 4090 D CA -1.325 52.715 54.000 0.068 0.000 0.914 4090 D CB 1.109 41.955 40.800 0.078 0.000 1.116 4090 D HN 0.296 nan 8.370 nan 0.000 0.502 4091 P HA -0.197 nan 4.420 nan 0.000 0.216 4091 P C 1.344 178.631 177.300 -0.021 0.000 1.150 4091 P CA 1.097 64.184 63.100 -0.021 0.000 0.837 4091 P CB 0.463 32.151 31.700 -0.020 0.000 0.786 4092 K N 0.214 120.610 120.400 -0.008 0.000 1.984 4092 K HA -0.091 4.229 4.320 -0.000 0.000 0.209 4092 K C 2.294 178.883 176.600 -0.019 0.000 1.046 4092 K CA 1.546 57.827 56.287 -0.011 0.000 0.934 4092 K CB -0.651 31.848 32.500 -0.002 0.000 0.717 4092 K HN -0.058 nan 8.250 nan 0.000 0.438 4093 A N 0.715 123.529 122.820 -0.010 0.000 1.902 4093 A HA -0.085 4.235 4.320 -0.000 0.000 0.217 4093 A C 2.352 179.911 177.584 -0.042 0.000 1.181 4093 A CA 1.971 53.996 52.037 -0.021 0.000 0.623 4093 A CB -1.224 17.778 19.000 0.003 0.000 0.818 4093 A HN 0.596 nan 8.150 nan 0.000 0.443 4094 G N -0.654 108.125 108.800 -0.035 0.000 2.422 4094 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.218 4094 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.218 4094 G C 1.610 176.461 174.900 -0.080 0.000 1.146 4094 G CA 1.222 46.288 45.100 -0.057 0.000 0.769 4094 G HN 0.692 nan 8.290 nan 0.000 0.547 4095 Q N -0.436 119.323 119.800 -0.068 0.000 2.049 4095 Q HA 0.008 4.348 4.340 -0.000 0.000 0.198 4095 Q C 2.350 178.307 176.000 -0.072 0.000 0.971 4095 Q CA 1.137 56.897 55.803 -0.072 0.000 0.833 4095 Q CB -0.376 28.329 28.738 -0.054 0.000 0.896 4095 Q HN 0.304 nan 8.270 nan 0.000 0.434 4096 L N 0.530 121.717 121.223 -0.061 0.000 1.989 4096 L HA -0.158 4.182 4.340 -0.000 0.000 0.211 4096 L C 2.194 179.008 176.870 -0.093 0.000 1.071 4096 L CA 1.864 56.670 54.840 -0.056 0.000 0.749 4096 L CB -1.049 40.980 42.059 -0.050 0.000 0.890 4096 L HN 0.505 nan 8.230 nan 0.000 0.431 4097 L N -1.083 120.052 121.223 -0.146 0.000 2.079 4097 L HA -0.199 4.141 4.340 -0.000 0.000 0.210 4097 L C 2.661 179.395 176.870 -0.226 0.000 1.081 4097 L CA 2.095 56.775 54.840 -0.267 0.000 0.752 4097 L CB -0.941 40.951 42.059 -0.278 0.000 0.896 4097 L HN 0.449 nan 8.230 nan 0.000 0.433 4098 S N -0.849 114.755 115.700 -0.159 0.000 2.368 4098 S HA -0.214 4.256 4.470 -0.000 0.000 0.225 4098 S C 1.888 176.413 174.600 -0.126 0.000 1.030 4098 S CA 1.596 59.696 58.200 -0.168 0.000 0.999 4098 S CB -0.236 62.862 63.200 -0.171 0.000 0.844 4098 S HN 0.628 nan 8.310 nan 0.000 0.459 4099 E N 0.330 120.485 120.200 -0.075 0.000 2.110 4099 E HA -0.087 4.263 4.350 -0.000 0.000 0.193 4099 E C 2.062 178.703 176.600 0.069 0.000 0.988 4099 E CA 1.164 57.555 56.400 -0.016 0.000 0.804 4099 E CB -0.184 29.516 29.700 -0.000 0.000 0.745 4099 E HN 0.484 nan 8.360 nan 0.000 0.458 4100 L N -0.384 120.890 121.223 0.084 0.000 2.156 4100 L HA -0.097 4.243 4.340 -0.000 0.000 0.208 4100 L C 1.918 179.093 176.870 0.509 0.000 1.095 4100 L CA 0.607 55.599 54.840 0.254 0.000 0.770 4100 L CB -0.084 42.072 42.059 0.162 0.000 0.914 4100 L HN 0.114 nan 8.230 nan 0.000 0.439 4101 F N -0.797 119.147 119.950 -0.009 0.000 2.714 4101 F HA 0.124 4.651 4.527 -0.000 0.000 0.294 4101 F C 1.653 177.167 175.800 -0.478 0.000 1.120 4101 F CA -0.440 57.444 58.000 -0.194 0.000 1.398 4101 F CB -0.710 38.196 39.000 -0.155 0.000 1.120 4101 F HN -0.149 nan 8.300 nan 0.000 0.589 4102 T N 1.929 116.355 114.554 -0.213 0.000 2.937 4102 T HA -0.043 4.307 4.350 -0.000 0.000 0.316 4102 T C 1.297 175.805 174.700 -0.319 0.000 1.079 4102 T CA 0.143 62.014 62.100 -0.381 0.000 1.131 4102 T CB 0.335 69.043 68.868 -0.267 0.000 1.000 4102 T HN 0.377 nan 8.240 nan 0.000 0.549 4103 N N 3.548 122.008 118.700 -0.399 0.000 2.205 4103 N HA 0.019 4.759 4.740 -0.000 0.000 0.201 4103 N C 0.370 175.745 175.510 -0.225 0.000 1.128 4103 N CA -0.345 52.510 53.050 -0.325 0.000 0.867 4103 N CB 0.081 38.361 38.487 -0.345 0.000 0.996 4103 N HN 0.723 nan 8.380 nan 0.000 0.503 4104 R N 1.123 121.511 120.500 -0.187 0.000 2.500 4104 R HA 0.303 4.643 4.340 -0.000 0.000 0.277 4104 R C 1.188 177.445 176.300 -0.071 0.000 1.026 4104 R CA -0.718 55.318 56.100 -0.107 0.000 1.058 4104 R CB 1.259 31.507 30.300 -0.088 0.000 1.078 4104 R HN -0.032 nan 8.270 nan 0.000 0.509 4105 K N 1.584 121.968 120.400 -0.026 0.000 2.032 4105 K HA -0.191 4.129 4.320 -0.000 0.000 0.209 4105 K C -0.282 176.320 176.600 0.003 0.000 1.048 4105 K CA 1.591 57.882 56.287 0.007 0.000 0.927 4105 K CB -0.206 32.313 32.500 0.032 0.000 0.712 4105 K HN 0.806 nan 8.250 nan 0.000 0.441 4106 E N 2.051 122.247 120.200 -0.006 0.000 2.115 4106 E HA 0.122 4.472 4.350 -0.000 0.000 0.282 4106 E C -0.922 175.649 176.600 -0.047 0.000 0.987 4106 E CA -0.836 55.557 56.400 -0.013 0.000 0.797 4106 E CB 0.665 30.365 29.700 0.001 0.000 1.086 4106 E HN 0.143 nan 8.360 nan 0.000 0.397 4107 N N 5.229 123.896 118.700 -0.054 0.000 2.452 4107 N HA 0.007 4.747 4.740 -0.000 0.000 0.266 4107 N C -0.348 175.100 175.510 -0.104 0.000 1.175 4107 N CA -0.263 52.731 53.050 -0.094 0.000 0.945 4107 N CB 0.502 38.943 38.487 -0.076 0.000 1.063 4107 N HN 0.498 nan 8.380 nan 0.000 0.472 4108 I N 5.370 125.841 120.570 -0.165 0.000 2.529 4108 I HA 0.183 4.353 4.170 -0.000 0.000 0.284 4108 I C -1.663 174.363 176.117 -0.151 0.000 1.082 4108 I CA -2.036 59.160 61.300 -0.173 0.000 1.406 4108 I CB 0.317 38.109 38.000 -0.347 0.000 1.405 4108 I HN 0.375 nan 8.210 nan 0.000 0.548 4109 P HA 0.401 nan 4.420 nan 0.000 0.285 4109 P C -0.922 176.322 177.300 -0.095 0.000 1.259 4109 P CA -0.359 62.691 63.100 -0.084 0.000 0.794 4109 P CB 1.477 33.146 31.700 -0.052 0.000 0.940 4110 L N 2.916 124.078 121.223 -0.102 0.000 2.319 4110 L HA 0.551 4.891 4.340 -0.000 0.000 0.267 4110 L C 0.805 177.623 176.870 -0.086 0.000 1.011 4110 L CA -0.990 53.789 54.840 -0.103 0.000 0.818 4110 L CB 1.911 43.892 42.059 -0.130 0.000 1.316 4110 L HN 0.378 nan 8.230 nan 0.000 0.432 4111 K N 1.646 121.993 120.400 -0.087 0.000 2.203 4111 K HA 0.703 5.023 4.320 -0.000 0.000 0.251 4111 K C -1.289 175.247 176.600 -0.106 0.000 0.944 4111 K CA -0.827 55.408 56.287 -0.087 0.000 0.829 4111 K CB 1.964 34.416 32.500 -0.080 0.000 1.125 4111 K HN 0.384 nan 8.250 nan 0.000 0.430 4112 L N 1.233 122.389 121.223 -0.111 0.000 2.343 4112 L HA 0.521 4.861 4.340 -0.000 0.000 0.275 4112 L C 0.029 176.804 176.870 -0.159 0.000 1.056 4112 L CA -0.602 54.151 54.840 -0.146 0.000 0.804 4112 L CB 1.590 43.560 42.059 -0.149 0.000 1.203 4112 L HN 0.926 nan 8.230 nan 0.000 0.440 4113 S N 0.228 115.804 115.700 -0.206 0.000 2.586 4113 S HA 0.166 4.636 4.470 -0.000 0.000 0.277 4113 S C -0.030 174.406 174.600 -0.273 0.000 1.131 4113 S CA -0.617 57.463 58.200 -0.201 0.000 0.848 4113 S CB 1.520 64.641 63.200 -0.130 0.000 1.091 4113 S HN 0.759 nan 8.310 nan 0.000 0.453 4114 E N 0.758 120.792 120.200 -0.277 0.000 2.285 4114 E HA -0.022 4.328 4.350 -0.000 0.000 0.194 4114 E C -0.299 176.188 176.600 -0.188 0.000 0.997 4114 E CA 0.346 56.554 56.400 -0.320 0.000 0.845 4114 E CB 0.128 29.683 29.700 -0.243 0.000 0.782 4114 E HN 0.534 nan 8.360 nan 0.000 0.491 4115 D N 0.480 120.810 120.400 -0.117 0.000 2.470 4115 D HA -0.014 4.626 4.640 -0.000 0.000 0.226 4115 D C 0.022 176.372 176.300 0.083 0.000 1.196 4115 D CA -0.190 53.792 54.000 -0.030 0.000 0.979 4115 D CB -0.063 40.741 40.800 0.008 0.000 1.059 4115 D HN 0.153 nan 8.370 nan 0.000 0.515 4116 c N 2.174 120.786 118.600 0.019 0.000 3.772 4116 c HA 0.361 4.931 4.570 -0.000 0.000 0.293 4116 c C 0.865 174.980 174.090 0.042 0.000 1.659 4116 c CA -0.649 55.752 56.329 0.119 0.000 1.810 4116 c CB -1.295 41.197 42.510 -0.030 0.000 3.059 4116 c HN 0.422 nan 8.230 nan 0.000 0.617 4117 L N 2.387 123.399 121.223 -0.351 0.000 2.376 4117 L HA 0.338 4.678 4.340 -0.000 0.000 0.250 4117 L C -0.715 175.486 176.870 -1.115 0.000 1.335 4117 L CA 0.559 54.965 54.840 -0.722 0.000 1.214 4117 L CB -0.910 40.571 42.059 -0.963 0.000 1.395 4117 L HN 0.394 nan 8.230 nan 0.000 0.424 4118 Y N 1.502 121.684 120.300 -0.197 0.000 2.598 4118 Y HA 0.719 5.269 4.550 -0.000 0.000 0.340 4118 Y C -0.091 175.926 175.900 0.195 0.000 1.038 4118 Y CA -1.333 56.733 58.100 -0.056 0.000 1.100 4118 Y CB 1.898 40.312 38.460 -0.077 0.000 1.281 4118 Y HN 0.127 nan 8.280 nan 0.000 0.488 4119 L N -0.219 121.167 121.223 0.272 0.000 2.434 4119 L HA 0.707 5.047 4.340 -0.000 0.000 0.260 4119 L C -1.529 175.401 176.870 0.100 0.000 0.983 4119 L CA -1.201 53.749 54.840 0.183 0.000 0.820 4119 L CB 1.809 43.903 42.059 0.059 0.000 1.361 4119 L HN 0.406 nan 8.230 nan 0.000 0.410 4120 N N 2.573 121.368 118.700 0.158 0.000 2.399 4120 N HA 0.679 5.419 4.740 -0.000 0.000 0.295 4120 N C -0.999 174.570 175.510 0.098 0.000 1.048 4120 N CA -0.222 52.892 53.050 0.107 0.000 0.886 4120 N CB 2.465 41.074 38.487 0.203 0.000 1.185 4120 N HN 0.679 nan 8.380 nan 0.000 0.487 4121 I N 1.778 122.326 120.570 -0.037 0.000 2.493 4121 I HA 0.337 4.507 4.170 -0.000 0.000 0.298 4121 I C -1.018 175.042 176.117 -0.095 0.000 0.998 4121 I CA -0.786 60.538 61.300 0.039 0.000 1.137 4121 I CB 1.100 39.064 38.000 -0.059 0.000 1.310 4121 I HN 0.323 nan 8.210 nan 0.000 0.445 4122 Y N 2.879 123.312 120.300 0.221 0.000 2.327 4122 Y HA 0.365 4.915 4.550 -0.000 0.000 0.325 4122 Y C 0.131 176.160 175.900 0.215 0.000 0.999 4122 Y CA -0.701 57.520 58.100 0.202 0.000 1.195 4122 Y CB 2.084 40.645 38.460 0.168 0.000 1.132 4122 Y HN 0.358 nan 8.280 nan 0.000 0.455 4123 T N 5.187 119.950 114.554 0.348 0.000 2.809 4123 T HA 0.332 4.682 4.350 -0.000 0.000 0.284 4123 T C -2.088 172.770 174.700 0.264 0.000 0.992 4123 T CA -2.295 59.995 62.100 0.316 0.000 0.957 4123 T CB 1.371 70.469 68.868 0.385 0.000 0.942 4123 T HN 0.353 nan 8.240 nan 0.000 0.439 4124 P HA 0.196 nan 4.420 nan 0.000 0.235 4124 P C 0.528 177.918 177.300 0.150 0.000 1.177 4124 P CA -0.003 63.183 63.100 0.143 0.000 0.785 4124 P CB 0.040 31.788 31.700 0.079 0.000 0.885 4125 A N 1.392 124.313 122.820 0.169 0.000 2.520 4125 A HA 0.021 4.341 4.320 -0.000 0.000 0.235 4125 A C 0.242 177.928 177.584 0.171 0.000 1.065 4125 A CA 0.177 52.305 52.037 0.153 0.000 0.764 4125 A CB -0.518 18.577 19.000 0.158 0.000 1.002 4125 A HN 0.043 nan 8.150 nan 0.000 0.502 4126 D N 1.966 122.443 120.400 0.129 0.000 2.393 4126 D HA 0.251 4.891 4.640 -0.000 0.000 0.232 4126 D C 0.883 177.263 176.300 0.133 0.000 1.192 4126 D CA -0.112 53.964 54.000 0.126 0.000 0.882 4126 D CB 0.062 40.909 40.800 0.077 0.000 1.038 4126 D HN 0.402 nan 8.370 nan 0.000 0.499 4127 L N 2.798 124.129 121.223 0.180 0.000 2.353 4127 L HA -0.117 4.223 4.340 -0.000 0.000 0.220 4127 L C 2.364 179.290 176.870 0.094 0.000 1.133 4127 L CA 1.298 56.222 54.840 0.141 0.000 0.798 4127 L CB -0.663 41.501 42.059 0.174 0.000 0.922 4127 L HN 0.517 nan 8.230 nan 0.000 0.445 4128 T N -3.026 111.587 114.554 0.098 0.000 3.035 4128 T HA -0.046 4.304 4.350 -0.000 0.000 0.268 4128 T C 0.850 175.577 174.700 0.045 0.000 1.109 4128 T CA 0.546 62.686 62.100 0.067 0.000 1.119 4128 T CB 0.043 68.950 68.868 0.065 0.000 0.900 4128 T HN 0.264 nan 8.240 nan 0.000 0.503 4129 K N 0.100 120.528 120.400 0.046 0.000 2.346 4129 K HA 0.570 4.890 4.320 -0.000 0.000 0.238 4129 K C -0.857 175.761 176.600 0.031 0.000 1.039 4129 K CA -1.049 55.258 56.287 0.033 0.000 0.861 4129 K CB 1.659 34.179 32.500 0.033 0.000 1.278 4129 K HN -0.060 nan 8.250 nan 0.000 0.460 4130 K N 1.893 122.305 120.400 0.021 0.000 2.258 4130 K HA 0.267 4.587 4.320 -0.000 0.000 0.284 4130 K C -0.657 175.958 176.600 0.026 0.000 1.051 4130 K CA -0.349 55.948 56.287 0.017 0.000 0.923 4130 K CB 0.609 33.112 32.500 0.005 0.000 1.046 4130 K HN 0.464 nan 8.250 nan 0.000 0.474 4131 N N 2.255 120.977 118.700 0.037 0.000 2.312 4131 N HA 0.379 5.119 4.740 -0.000 0.000 0.296 4131 N C -0.705 174.831 175.510 0.044 0.000 1.193 4131 N CA -0.780 52.297 53.050 0.045 0.000 0.773 4131 N CB 2.100 40.628 38.487 0.067 0.000 1.435 4131 N HN 0.325 nan 8.380 nan 0.000 0.484 4132 R N 1.371 121.894 120.500 0.038 0.000 2.674 4132 R HA 0.353 4.693 4.340 -0.000 0.000 0.270 4132 R C -0.552 175.769 176.300 0.035 0.000 1.492 4132 R CA -0.309 55.810 56.100 0.032 0.000 1.624 4132 R CB 0.483 30.789 30.300 0.010 0.000 1.307 4132 R HN 0.389 nan 8.270 nan 0.000 0.683 4133 L N 2.480 123.737 121.223 0.057 0.000 2.436 4133 L HA 0.360 4.700 4.340 -0.000 0.000 0.265 4133 L C -1.693 175.211 176.870 0.056 0.000 1.168 4133 L CA -1.895 52.979 54.840 0.056 0.000 0.815 4133 L CB 0.284 42.389 42.059 0.078 0.000 1.109 4133 L HN 0.027 nan 8.230 nan 0.000 0.462 4134 P HA 0.046 nan 4.420 nan 0.000 0.268 4134 P C -0.843 176.500 177.300 0.072 0.000 1.205 4134 P CA -0.108 63.014 63.100 0.037 0.000 0.771 4134 P CB 1.024 32.729 31.700 0.007 0.000 0.858 4135 V N 4.627 124.598 119.914 0.094 0.000 2.483 4135 V HA 0.387 4.507 4.120 -0.000 0.000 0.295 4135 V C 0.613 176.792 176.094 0.141 0.000 1.035 4135 V CA -0.393 61.990 62.300 0.137 0.000 0.896 4135 V CB 1.206 33.126 31.823 0.161 0.000 0.986 4135 V HN 0.490 nan 8.190 nan 0.000 0.447 4136 M N 4.709 124.417 119.600 0.180 0.000 2.085 4136 M HA 0.460 4.940 4.480 -0.000 0.000 0.309 4136 M C -1.144 175.462 176.300 0.510 0.000 0.947 4136 M CA -0.539 54.894 55.300 0.221 0.000 0.918 4136 M CB 1.911 34.498 32.600 -0.021 0.000 1.504 4136 M HN 0.345 nan 8.290 nan 0.000 0.420 4137 V N 3.575 123.792 119.914 0.503 0.000 2.364 4137 V HA 0.258 4.378 4.120 -0.000 0.000 0.272 4137 V C -0.522 175.858 176.094 0.476 0.000 1.036 4137 V CA -0.482 62.075 62.300 0.428 0.000 0.880 4137 V CB 0.996 32.952 31.823 0.222 0.000 0.991 4137 V HN 0.834 nan 8.190 nan 0.000 0.460 4138 W N 7.089 128.457 121.300 0.113 0.000 2.316 4138 W HA 0.575 5.235 4.660 0.000 0.000 0.311 4138 W C -1.102 175.323 176.519 -0.158 0.000 1.217 4138 W CA -0.791 56.368 57.345 -0.311 0.000 1.199 4138 W CB 1.175 30.446 29.460 -0.315 0.000 1.202 4138 W HN 0.434 nan 8.180 nan 0.000 0.528 4139 I N 7.993 127.962 120.570 -1.002 0.000 2.405 4139 I HA 0.041 4.211 4.170 -0.000 0.000 0.280 4139 I C 0.963 176.385 176.117 -1.157 0.000 1.027 4139 I CA -0.798 60.044 61.300 -0.762 0.000 1.161 4139 I CB 0.657 38.320 38.000 -0.563 0.000 1.300 4139 I HN 0.396 nan 8.210 nan 0.000 0.463 4140 H N 4.656 123.299 119.070 -0.711 0.000 2.836 4140 H HA 0.327 4.883 4.556 -0.000 0.000 0.368 4140 H C -0.046 175.237 175.328 -0.076 0.000 1.164 4140 H CA -0.168 55.648 56.048 -0.387 0.000 1.425 4140 H CB 0.931 30.781 29.762 0.146 0.000 1.414 4140 H HN 0.595 nan 8.280 nan 0.000 0.614 4141 G N -1.574 107.315 108.800 0.147 0.000 2.642 4141 G HA2 0.484 4.444 3.960 -0.000 0.000 0.291 4141 G HA3 0.484 4.444 3.960 -0.000 0.000 0.291 4141 G C 0.218 175.323 174.900 0.343 0.000 1.345 4141 G CA -0.777 44.424 45.100 0.169 0.000 1.043 4141 G HN 1.204 nan 8.290 nan 0.000 0.528 4142 G N -2.637 106.313 108.800 0.250 0.000 2.334 4142 G HA2 0.416 4.376 3.960 -0.000 0.000 0.222 4142 G HA3 0.416 4.376 3.960 -0.000 0.000 0.222 4142 G C 1.011 175.983 174.900 0.120 0.000 1.077 4142 G CA 0.708 45.923 45.100 0.193 0.000 0.861 4142 G HN 2.297 nan 8.290 nan 0.000 0.508 4143 G N -0.125 108.740 108.800 0.108 0.000 2.212 4143 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.267 4143 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.267 4143 G C 1.244 176.109 174.900 -0.058 0.000 1.002 4143 G CA 0.961 46.081 45.100 0.033 0.000 0.729 4143 G HN 1.793 nan 8.290 nan 0.000 0.517 4144 L N -3.847 117.358 121.223 -0.031 0.000 5.051 4144 L HA -0.303 4.037 4.340 -0.000 0.000 0.432 4144 L C 2.206 179.070 176.870 -0.009 0.000 1.055 4144 L CA 1.776 56.563 54.840 -0.088 0.000 1.095 4144 L CB -1.462 40.269 42.059 -0.547 0.000 1.957 4144 L HN 0.406 nan 8.230 nan 0.000 0.727 4145 M N -1.083 118.523 119.600 0.009 0.000 2.557 4145 M HA 0.282 4.762 4.480 -0.000 0.000 0.262 4145 M C 1.033 177.383 176.300 0.083 0.000 1.168 4145 M CA 1.659 56.982 55.300 0.039 0.000 1.194 4145 M CB -0.048 32.564 32.600 0.019 0.000 1.311 4145 M HN 0.255 nan 8.290 nan 0.000 0.489 4146 V N -2.683 117.278 119.914 0.078 0.000 3.156 4146 V HA 1.042 5.162 4.120 -0.000 0.000 0.311 4146 V C -0.197 175.962 176.094 0.107 0.000 1.208 4146 V CA -0.219 62.117 62.300 0.060 0.000 1.063 4146 V CB 1.202 33.042 31.823 0.028 0.000 1.098 4146 V HN 0.573 nan 8.190 nan 0.000 0.452 4147 G N -0.872 107.939 108.800 0.019 0.000 2.392 4147 G HA2 0.614 4.574 3.960 -0.000 0.000 0.677 4147 G HA3 0.614 4.574 3.960 -0.000 0.000 0.677 4147 G C -0.694 173.917 174.900 -0.482 0.000 1.334 4147 G CA -0.164 44.895 45.100 -0.069 0.000 0.961 4147 G HN 2.658 nan 8.290 nan 0.000 0.616 4148 A N -1.215 121.098 122.820 -0.845 0.000 2.605 4148 A HA 1.015 5.335 4.320 -0.000 0.000 0.294 4148 A C 0.734 178.121 177.584 -0.329 0.000 1.062 4148 A CA 0.750 52.421 52.037 -0.611 0.000 0.682 4148 A CB 0.810 19.644 19.000 -0.276 0.000 1.278 4148 A HN 2.553 nan 8.150 nan 0.000 0.410 4149 A N 0.472 123.266 122.820 -0.044 0.000 1.929 4149 A HA 0.106 4.426 4.320 -0.000 0.000 0.216 4149 A C 1.959 179.680 177.584 0.228 0.000 1.176 4149 A CA 2.353 54.544 52.037 0.256 0.000 0.628 4149 A CB -0.737 18.437 19.000 0.291 0.000 0.816 4149 A HN 1.256 nan 8.150 nan 0.000 0.444 4150 S N -0.099 115.642 115.700 0.068 0.000 2.500 4150 S HA -0.098 4.372 4.470 -0.000 0.000 0.239 4150 S C 1.747 176.204 174.600 -0.239 0.000 0.989 4150 S CA 1.413 59.581 58.200 -0.053 0.000 0.951 4150 S CB -0.469 62.614 63.200 -0.196 0.000 0.759 4150 S HN 0.678 nan 8.310 nan 0.000 0.523 4151 T N 0.919 115.317 114.554 -0.260 0.000 2.867 4151 T HA -0.042 4.308 4.350 -0.000 0.000 0.268 4151 T C -0.062 174.191 174.700 -0.745 0.000 1.057 4151 T CA 0.997 62.785 62.100 -0.519 0.000 1.136 4151 T CB -0.229 68.250 68.868 -0.647 0.000 0.874 4151 T HN 0.420 nan 8.240 nan 0.000 0.466 4152 Y N 1.758 121.849 120.300 -0.347 0.000 2.353 4152 Y HA 0.449 4.999 4.550 -0.000 0.000 0.340 4152 Y C 0.022 175.642 175.900 -0.467 0.000 0.972 4152 Y CA -2.204 55.495 58.100 -0.668 0.000 1.157 4152 Y CB 0.440 38.200 38.460 -1.167 0.000 1.157 4152 Y HN -0.095 nan 8.280 nan 0.000 0.495 4153 D N 2.450 122.648 120.400 -0.337 0.000 2.313 4153 D HA 0.207 4.847 4.640 -0.000 0.000 0.239 4153 D C 0.778 176.820 176.300 -0.429 0.000 1.142 4153 D CA -0.305 53.532 54.000 -0.272 0.000 0.847 4153 D CB 1.497 42.229 40.800 -0.114 0.000 1.082 4153 D HN 0.828 nan 8.370 nan 0.000 0.480 4154 G N 3.289 111.436 108.800 -1.089 0.000 3.440 4154 G HA2 0.005 3.965 3.960 -0.000 0.000 0.263 4154 G HA3 0.005 3.965 3.960 -0.000 0.000 0.263 4154 G C 1.105 175.709 174.900 -0.493 0.000 1.236 4154 G CA -0.202 44.467 45.100 -0.718 0.000 0.927 4154 G HN 0.484 nan 8.290 nan 0.000 0.530 4155 L N 0.949 121.991 121.223 -0.302 0.000 2.044 4155 L HA 0.256 4.596 4.340 -0.000 0.000 0.205 4155 L C 2.810 179.665 176.870 -0.026 0.000 1.075 4155 L CA 2.326 57.167 54.840 0.001 0.000 0.747 4155 L CB -0.541 41.574 42.059 0.093 0.000 0.903 4155 L HN 0.169 nan 8.230 nan 0.000 0.435 4156 A N -0.328 122.473 122.820 -0.032 0.000 1.858 4156 A HA -0.214 4.106 4.320 -0.000 0.000 0.216 4156 A C 2.273 179.805 177.584 -0.088 0.000 1.190 4156 A CA 2.055 54.068 52.037 -0.041 0.000 0.617 4156 A CB -1.212 17.779 19.000 -0.014 0.000 0.827 4156 A HN 0.499 nan 8.150 nan 0.000 0.443 4157 L N -0.325 120.840 121.223 -0.097 0.000 2.083 4157 L HA -0.071 4.269 4.340 -0.000 0.000 0.209 4157 L C 2.618 179.455 176.870 -0.055 0.000 1.083 4157 L CA 2.165 56.941 54.840 -0.105 0.000 0.752 4157 L CB -0.620 41.347 42.059 -0.154 0.000 0.899 4157 L HN 0.353 nan 8.230 nan 0.000 0.433 4158 A N -0.694 122.110 122.820 -0.027 0.000 1.898 4158 A HA -0.008 4.312 4.320 -0.000 0.000 0.216 4158 A C 2.397 179.942 177.584 -0.064 0.000 1.181 4158 A CA 1.519 53.565 52.037 0.015 0.000 0.620 4158 A CB -0.995 18.070 19.000 0.108 0.000 0.819 4158 A HN 0.539 nan 8.150 nan 0.000 0.442 4159 A N -1.761 120.948 122.820 -0.185 0.000 1.970 4159 A HA -0.068 4.252 4.320 -0.000 0.000 0.216 4159 A C 1.966 179.165 177.584 -0.642 0.000 1.170 4159 A CA 1.179 52.916 52.037 -0.502 0.000 0.645 4159 A CB -0.712 17.790 19.000 -0.831 0.000 0.816 4159 A HN 0.688 nan 8.150 nan 0.000 0.447 4160 H N -1.296 117.496 119.070 -0.464 0.000 2.525 4160 H HA 0.085 4.641 4.556 -0.000 0.000 0.275 4160 H C 0.657 175.917 175.328 -0.112 0.000 0.984 4160 H CA 1.038 56.923 56.048 -0.272 0.000 1.264 4160 H CB 0.570 30.151 29.762 -0.302 0.000 1.432 4160 H HN 0.406 nan 8.280 nan 0.000 0.549 4161 E N 0.248 120.451 120.200 0.005 0.000 2.630 4161 E HA -0.003 4.347 4.350 -0.000 0.000 0.218 4161 E C -0.166 176.442 176.600 0.012 0.000 0.977 4161 E CA -0.267 56.142 56.400 0.015 0.000 1.038 4161 E CB 0.098 29.807 29.700 0.014 0.000 1.051 4161 E HN 0.252 nan 8.360 nan 0.000 0.487 4162 N N 0.809 119.510 118.700 0.001 0.000 2.714 4162 N HA -0.177 4.563 4.740 -0.000 0.000 0.253 4162 N C -0.787 174.747 175.510 0.040 0.000 1.024 4162 N CA 0.839 53.902 53.050 0.022 0.000 0.726 4162 N CB -1.165 37.340 38.487 0.030 0.000 0.908 4162 N HN 0.110 nan 8.380 nan 0.000 0.542 4163 V N -3.166 116.775 119.914 0.046 0.000 3.001 4163 V HA 0.822 4.942 4.120 -0.000 0.000 0.314 4163 V C 0.459 176.618 176.094 0.108 0.000 1.099 4163 V CA -1.052 61.286 62.300 0.064 0.000 0.989 4163 V CB 2.213 34.059 31.823 0.038 0.000 1.040 4163 V HN -0.072 nan 8.190 nan 0.000 0.434 4164 V N 2.981 122.977 119.914 0.138 0.000 2.432 4164 V HA 0.464 4.584 4.120 -0.000 0.000 0.275 4164 V C 0.076 176.305 176.094 0.225 0.000 1.043 4164 V CA -0.244 62.174 62.300 0.197 0.000 0.925 4164 V CB 1.365 33.312 31.823 0.206 0.000 0.985 4164 V HN 0.754 nan 8.190 nan 0.000 0.466 4165 V N 5.831 125.919 119.914 0.291 0.000 2.435 4165 V HA 0.536 4.656 4.120 -0.000 0.000 0.290 4165 V C -0.255 176.098 176.094 0.432 0.000 1.030 4165 V CA -0.528 61.982 62.300 0.350 0.000 0.881 4165 V CB 1.940 33.939 31.823 0.294 0.000 0.983 4165 V HN 0.594 nan 8.190 nan 0.000 0.445 4166 V N 3.591 123.754 119.914 0.415 0.000 2.483 4166 V HA 0.498 4.618 4.120 -0.000 0.000 0.297 4166 V C 0.080 176.410 176.094 0.393 0.000 1.027 4166 V CA -0.528 61.990 62.300 0.363 0.000 0.855 4166 V CB 2.145 34.122 31.823 0.258 0.000 0.995 4166 V HN 1.003 nan 8.190 nan 0.000 0.424 4167 T N 3.655 118.451 114.554 0.403 0.000 2.758 4167 T HA 0.797 5.147 4.350 -0.000 0.000 0.285 4167 T C -0.401 174.490 174.700 0.319 0.000 0.981 4167 T CA -0.480 61.867 62.100 0.411 0.000 0.965 4167 T CB 1.138 70.274 68.868 0.446 0.000 0.927 4167 T HN 0.663 nan 8.240 nan 0.000 0.448 4168 I N 0.380 121.118 120.570 0.280 0.000 2.750 4168 I HA 0.660 4.830 4.170 -0.000 0.000 0.308 4168 I C -0.504 175.847 176.117 0.390 0.000 1.016 4168 I CA -1.237 60.217 61.300 0.257 0.000 1.098 4168 I CB 1.929 39.981 38.000 0.087 0.000 1.279 4168 I HN 0.551 nan 8.210 nan 0.000 0.454 4169 Q N 2.422 122.482 119.800 0.432 0.000 2.359 4169 Q HA 0.622 4.962 4.340 -0.000 0.000 0.275 4169 Q C -1.841 174.453 176.000 0.490 0.000 1.082 4169 Q CA -0.807 55.236 55.803 0.401 0.000 0.849 4169 Q CB 2.682 31.564 28.738 0.239 0.000 1.377 4169 Q HN 0.733 nan 8.270 nan 0.000 0.452 4170 Y N -3.006 117.454 120.300 0.267 0.000 2.592 4170 Y HA 0.482 5.032 4.550 -0.000 0.000 0.334 4170 Y C -1.063 174.937 175.900 0.166 0.000 1.136 4170 Y CA -1.443 56.781 58.100 0.207 0.000 1.042 4170 Y CB 0.672 39.222 38.460 0.150 0.000 1.325 4170 Y HN 0.415 nan 8.280 nan 0.000 0.457 4171 R N 1.950 122.569 120.500 0.197 0.000 2.583 4171 R HA 0.373 4.713 4.340 -0.000 0.000 0.274 4171 R C -0.971 175.469 176.300 0.232 0.000 0.998 4171 R CA 0.213 56.396 56.100 0.139 0.000 1.081 4171 R CB 0.178 30.570 30.300 0.153 0.000 0.940 4171 R HN 0.671 nan 8.270 nan 0.000 0.413 4172 L N 1.391 122.756 121.223 0.237 0.000 2.319 4172 L HA 0.475 4.815 4.340 -0.000 0.000 0.267 4172 L C 1.266 178.425 176.870 0.482 0.000 1.011 4172 L CA -0.404 54.646 54.840 0.350 0.000 0.818 4172 L CB 1.758 43.905 42.059 0.146 0.000 1.316 4172 L HN 0.902 nan 8.230 nan 0.000 0.432 4173 G N 0.946 109.999 108.800 0.422 0.000 2.652 4173 G HA2 -0.348 3.612 3.960 -0.000 0.000 0.318 4173 G HA3 -0.348 3.612 3.960 -0.000 0.000 0.318 4173 G C 0.936 176.060 174.900 0.373 0.000 1.295 4173 G CA 0.694 45.964 45.100 0.283 0.000 0.999 4173 G HN 0.656 nan 8.290 nan 0.000 0.548 4174 I N -0.553 120.162 120.570 0.241 0.000 2.087 4174 I HA -0.252 3.918 4.170 -0.000 0.000 0.240 4174 I C 2.886 179.211 176.117 0.345 0.000 1.054 4174 I CA 2.692 64.094 61.300 0.170 0.000 1.311 4174 I CB -0.389 37.463 38.000 -0.246 0.000 1.024 4174 I HN 0.581 nan 8.210 nan 0.000 0.402 4175 W N 0.611 122.070 121.300 0.265 0.000 2.321 4175 W HA -0.163 4.497 4.660 0.000 0.000 0.306 4175 W C 2.407 179.042 176.519 0.193 0.000 1.217 4175 W CA 1.434 58.830 57.345 0.086 0.000 1.257 4175 W CB -1.038 28.393 29.460 -0.048 0.000 1.145 4175 W HN 0.268 nan 8.180 nan 0.000 0.509 4176 G N -2.336 106.736 108.800 0.453 0.000 2.887 4176 G HA2 0.026 3.986 3.960 -0.000 0.000 0.211 4176 G HA3 0.026 3.986 3.960 -0.000 0.000 0.211 4176 G C 0.616 175.298 174.900 -0.363 0.000 1.152 4176 G CA 0.029 45.205 45.100 0.127 0.000 0.769 4176 G HN 0.134 nan 8.290 nan 0.000 0.541 4177 F N -0.641 119.539 119.950 0.384 0.000 2.817 4177 F HA 0.417 4.944 4.527 -0.000 0.000 0.319 4177 F C 0.000 175.900 175.800 0.166 0.000 1.136 4177 F CA -1.541 56.557 58.000 0.163 0.000 1.177 4177 F CB 0.420 39.432 39.000 0.020 0.000 1.088 4177 F HN -0.012 nan 8.300 nan 0.000 0.520 4178 F N 1.833 121.983 119.950 0.335 0.000 2.506 4178 F HA 0.438 4.965 4.527 -0.000 0.000 0.371 4178 F C 0.386 176.252 175.800 0.110 0.000 1.078 4178 F CA 0.142 58.230 58.000 0.148 0.000 1.195 4178 F CB 0.522 39.479 39.000 -0.072 0.000 1.099 4178 F HN -0.106 nan 8.300 nan 0.000 0.548 4179 S N 3.625 118.903 115.700 -0.703 0.000 2.557 4179 S HA 0.321 4.791 4.470 -0.000 0.000 0.291 4179 S C 0.390 174.615 174.600 -0.625 0.000 1.116 4179 S CA -0.120 57.779 58.200 -0.500 0.000 0.992 4179 S CB 1.229 64.258 63.200 -0.285 0.000 1.028 4179 S HN 0.810 nan 8.310 nan 0.000 0.484 4180 T N 0.897 115.231 114.554 -0.368 0.000 3.122 4180 T HA 0.365 4.715 4.350 -0.000 0.000 0.250 4180 T C 1.441 176.075 174.700 -0.109 0.000 1.067 4180 T CA 0.511 62.482 62.100 -0.215 0.000 0.966 4180 T CB -0.138 68.722 68.868 -0.015 0.000 1.002 4180 T HN 1.619 nan 8.240 nan 0.000 0.542 4181 G N 2.172 110.897 108.800 -0.125 0.000 2.155 4181 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.257 4181 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.257 4181 G C -0.245 174.626 174.900 -0.049 0.000 0.983 4181 G CA 0.544 45.592 45.100 -0.086 0.000 0.676 4181 G HN 0.943 nan 8.290 nan 0.000 0.528 4182 D N -2.342 118.044 120.400 -0.023 0.000 2.867 4182 D HA 0.445 5.085 4.640 -0.000 0.000 0.308 4182 D C 1.287 177.572 176.300 -0.025 0.000 1.202 4182 D CA -0.062 53.929 54.000 -0.016 0.000 1.035 4182 D CB -0.304 40.510 40.800 0.022 0.000 1.427 4182 D HN 0.109 nan 8.370 nan 0.000 0.570 4183 E N -0.359 119.778 120.200 -0.106 0.000 2.338 4183 E HA -0.206 4.144 4.350 -0.000 0.000 0.197 4183 E C 0.824 177.359 176.600 -0.107 0.000 1.007 4183 E CA 1.087 57.409 56.400 -0.130 0.000 0.849 4183 E CB -0.556 29.023 29.700 -0.201 0.000 0.774 4183 E HN 0.512 nan 8.360 nan 0.000 0.506 4184 H N 0.411 119.545 119.070 0.106 0.000 2.529 4184 H HA 0.175 4.731 4.556 -0.000 0.000 0.277 4184 H C 0.285 175.739 175.328 0.211 0.000 0.999 4184 H CA 1.003 57.131 56.048 0.132 0.000 1.256 4184 H CB 0.523 30.345 29.762 0.100 0.000 1.402 4184 H HN 0.087 nan 8.280 nan 0.000 0.566 4185 S N -0.236 115.662 115.700 0.330 0.000 2.666 4185 S HA 0.173 4.643 4.470 -0.000 0.000 0.165 4185 S C 0.789 175.544 174.600 0.259 0.000 0.865 4185 S CA -0.579 57.918 58.200 0.496 0.000 1.038 4185 S CB 0.239 63.702 63.200 0.438 0.000 1.507 4185 S HN 0.182 nan 8.310 nan 0.000 0.422 4186 R N 1.596 122.187 120.500 0.151 0.000 2.073 4186 R HA 0.198 4.538 4.340 -0.000 0.000 0.234 4186 R C 1.408 177.447 176.300 -0.434 0.000 1.134 4186 R CA 1.266 57.265 56.100 -0.168 0.000 0.952 4186 R CB -0.228 29.963 30.300 -0.182 0.000 0.850 4186 R HN 0.862 nan 8.270 nan 0.000 0.433 4187 G N -0.489 107.687 108.800 -1.039 0.000 2.422 4187 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.607 4187 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.607 4187 G C -0.719 173.445 174.900 -1.227 0.000 1.270 4187 G CA -0.406 44.030 45.100 -1.107 0.000 0.992 4187 G HN 0.250 nan 8.290 nan 0.000 0.499 4188 N N -1.101 117.180 118.700 -0.699 0.000 2.714 4188 N HA -0.208 4.532 4.740 -0.000 0.000 0.250 4188 N C 1.205 176.412 175.510 -0.505 0.000 1.117 4188 N CA 1.969 54.765 53.050 -0.423 0.000 0.719 4188 N CB -1.518 36.936 38.487 -0.054 0.000 1.081 4188 N HN 0.710 nan 8.380 nan 0.000 0.557 4189 W N 0.476 121.579 121.300 -0.327 0.000 2.321 4189 W HA -0.121 4.539 4.660 -0.000 0.000 0.306 4189 W C 2.485 178.856 176.519 -0.248 0.000 1.217 4189 W CA 0.808 58.035 57.345 -0.197 0.000 1.257 4189 W CB -0.639 28.757 29.460 -0.106 0.000 1.145 4189 W HN 0.307 nan 8.180 nan 0.000 0.509 4190 G N -0.223 108.315 108.800 -0.436 0.000 2.418 4190 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.217 4190 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.217 4190 G C 1.210 176.077 174.900 -0.055 0.000 1.158 4190 G CA 1.289 46.285 45.100 -0.174 0.000 0.771 4190 G HN 0.287 nan 8.290 nan 0.000 0.545 4191 H N 0.298 119.339 119.070 -0.049 0.000 2.421 4191 H HA 0.087 4.643 4.556 -0.000 0.000 0.298 4191 H C 2.682 177.994 175.328 -0.027 0.000 1.087 4191 H CA 0.703 56.723 56.048 -0.048 0.000 1.330 4191 H CB -0.253 29.496 29.762 -0.021 0.000 1.388 4191 H HN 0.265 nan 8.280 nan 0.000 0.526 4192 L N 0.408 121.707 121.223 0.127 0.000 2.141 4192 L HA -0.143 4.197 4.340 -0.000 0.000 0.209 4192 L C 1.965 178.933 176.870 0.165 0.000 1.094 4192 L CA 0.898 55.822 54.840 0.139 0.000 0.763 4192 L CB -0.170 41.999 42.059 0.183 0.000 0.908 4192 L HN 0.127 nan 8.230 nan 0.000 0.437 4193 D N -0.141 120.377 120.400 0.197 0.000 2.144 4193 D HA -0.175 4.465 4.640 -0.000 0.000 0.200 4193 D C 2.251 178.659 176.300 0.179 0.000 0.978 4193 D CA 1.049 55.230 54.000 0.302 0.000 0.833 4193 D CB -0.092 40.936 40.800 0.379 0.000 0.961 4193 D HN 0.429 nan 8.370 nan 0.000 0.470 4194 Q N 0.328 120.168 119.800 0.067 0.000 2.124 4194 Q HA -0.087 4.253 4.340 -0.000 0.000 0.202 4194 Q C 2.412 178.364 176.000 -0.080 0.000 0.977 4194 Q CA 0.824 56.583 55.803 -0.073 0.000 0.850 4194 Q CB 0.011 28.655 28.738 -0.156 0.000 0.901 4194 Q HN 0.146 nan 8.270 nan 0.000 0.429 4195 V N 1.115 121.025 119.914 -0.006 0.000 2.307 4195 V HA -0.277 3.843 4.120 -0.000 0.000 0.245 4195 V C 2.331 178.444 176.094 0.032 0.000 1.045 4195 V CA 1.780 64.091 62.300 0.017 0.000 1.024 4195 V CB -1.047 30.810 31.823 0.056 0.000 0.651 4195 V HN 0.415 nan 8.190 nan 0.000 0.449 4196 A N 0.190 123.056 122.820 0.077 0.000 1.892 4196 A HA -0.222 4.098 4.320 -0.000 0.000 0.218 4196 A C 2.450 180.027 177.584 -0.012 0.000 1.188 4196 A CA 2.477 54.599 52.037 0.142 0.000 0.631 4196 A CB -0.958 18.236 19.000 0.324 0.000 0.822 4196 A HN 0.600 nan 8.150 nan 0.000 0.447 4197 A N -0.384 122.179 122.820 -0.429 0.000 1.908 4197 A HA -0.095 4.225 4.320 -0.000 0.000 0.218 4197 A C 2.188 179.670 177.584 -0.169 0.000 1.181 4197 A CA 1.642 53.210 52.037 -0.781 0.000 0.627 4197 A CB -0.661 17.730 19.000 -1.015 0.000 0.818 4197 A HN 0.499 nan 8.150 nan 0.000 0.445 4198 L N -1.275 119.900 121.223 -0.079 0.000 2.083 4198 L HA -0.180 4.160 4.340 -0.000 0.000 0.209 4198 L C 2.864 179.790 176.870 0.093 0.000 1.083 4198 L CA 1.368 56.226 54.840 0.030 0.000 0.752 4198 L CB -0.463 41.610 42.059 0.022 0.000 0.899 4198 L HN 0.354 nan 8.230 nan 0.000 0.433 4199 R N -1.066 119.493 120.500 0.099 0.000 2.081 4199 R HA -0.222 4.118 4.340 -0.000 0.000 0.235 4199 R C 2.111 178.502 176.300 0.152 0.000 1.131 4199 R CA 1.916 58.087 56.100 0.118 0.000 0.960 4199 R CB -0.508 29.869 30.300 0.127 0.000 0.856 4199 R HN 0.387 nan 8.270 nan 0.000 0.436 4200 W N 0.992 122.310 121.300 0.031 0.000 2.338 4200 W HA -0.233 4.427 4.660 -0.000 0.000 0.304 4200 W C 1.837 178.387 176.519 0.051 0.000 1.212 4200 W CA 1.384 58.770 57.345 0.069 0.000 1.264 4200 W CB -0.227 29.292 29.460 0.099 0.000 1.142 4200 W HN -0.217 nan 8.180 nan 0.000 0.512 4201 V N 0.804 120.908 119.914 0.316 0.000 2.295 4201 V HA -0.362 3.758 4.120 -0.000 0.000 0.246 4201 V C 2.552 178.659 176.094 0.022 0.000 1.049 4201 V CA 2.151 64.566 62.300 0.192 0.000 1.024 4201 V CB -1.098 30.855 31.823 0.216 0.000 0.648 4201 V HN 0.198 nan 8.190 nan 0.000 0.447 4202 Q N -0.138 119.686 119.800 0.041 0.000 2.181 4202 Q HA -0.217 4.123 4.340 -0.000 0.000 0.205 4202 Q C 1.849 177.813 176.000 -0.061 0.000 0.980 4202 Q CA 1.668 57.482 55.803 0.019 0.000 0.862 4202 Q CB -0.470 28.294 28.738 0.042 0.000 0.905 4202 Q HN 0.683 nan 8.270 nan 0.000 0.429 4203 D N -0.876 119.435 120.400 -0.148 0.000 2.346 4203 D HA 0.024 4.664 4.640 -0.000 0.000 0.206 4203 D C 1.085 177.177 176.300 -0.348 0.000 1.001 4203 D CA 0.315 54.180 54.000 -0.225 0.000 0.871 4203 D CB 0.208 40.865 40.800 -0.238 0.000 0.943 4203 D HN 0.253 nan 8.370 nan 0.000 0.518 4204 N N -0.064 118.345 118.700 -0.485 0.000 2.474 4204 N HA 0.009 4.749 4.740 -0.000 0.000 0.224 4204 N C 1.678 177.113 175.510 -0.126 0.000 1.092 4204 N CA -0.231 52.510 53.050 -0.515 0.000 0.844 4204 N CB 0.679 38.374 38.487 -1.320 0.000 1.381 4204 N HN -0.057 nan 8.380 nan 0.000 0.458 4205 I N 2.959 123.494 120.570 -0.058 0.000 2.285 4205 I HA -0.315 3.855 4.170 -0.000 0.000 0.253 4205 I C 2.176 178.433 176.117 0.233 0.000 1.104 4205 I CA 0.925 62.337 61.300 0.185 0.000 1.372 4205 I CB -0.417 37.664 38.000 0.136 0.000 1.057 4205 I HN 0.145 nan 8.210 nan 0.000 0.431 4206 A N -1.095 121.776 122.820 0.086 0.000 1.883 4206 A HA -0.240 4.080 4.320 -0.000 0.000 0.217 4206 A C 2.398 179.993 177.584 0.019 0.000 1.186 4206 A CA 2.201 54.265 52.037 0.045 0.000 0.624 4206 A CB -1.140 17.852 19.000 -0.014 0.000 0.822 4206 A HN 0.471 nan 8.150 nan 0.000 0.444 4207 S N -1.064 114.595 115.700 -0.068 0.000 2.528 4207 S HA -0.049 4.421 4.470 -0.000 0.000 0.244 4207 S C 0.410 174.740 174.600 -0.451 0.000 0.982 4207 S CA 0.889 58.912 58.200 -0.294 0.000 0.953 4207 S CB -0.443 62.469 63.200 -0.480 0.000 0.754 4207 S HN 0.547 nan 8.310 nan 0.000 0.529 4208 F N 0.313 120.262 119.950 -0.003 0.000 2.772 4208 F HA 0.403 4.930 4.527 -0.000 0.000 0.302 4208 F C 1.462 177.321 175.800 0.099 0.000 1.136 4208 F CA -0.358 57.676 58.000 0.056 0.000 1.322 4208 F CB 0.043 39.081 39.000 0.064 0.000 0.967 4208 F HN 0.140 nan 8.300 nan 0.000 0.513 4209 G N 0.542 109.447 108.800 0.175 0.000 2.160 4209 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.251 4209 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.251 4209 G C 0.517 175.503 174.900 0.144 0.000 1.008 4209 G CA -0.081 45.104 45.100 0.142 0.000 0.724 4209 G HN 0.791 nan 8.290 nan 0.000 0.514 4210 G N -0.653 108.243 108.800 0.161 0.000 2.410 4210 G HA2 0.518 4.478 3.960 -0.000 0.000 0.330 4210 G HA3 0.518 4.478 3.960 -0.000 0.000 0.330 4210 G C -0.346 174.607 174.900 0.088 0.000 1.142 4210 G CA -0.224 44.958 45.100 0.137 0.000 0.902 4210 G HN 0.535 nan 8.290 nan 0.000 0.491 4211 N N 1.861 120.601 118.700 0.067 0.000 2.558 4211 N HA 0.290 5.030 4.740 -0.000 0.000 0.233 4211 N C -1.162 174.371 175.510 0.038 0.000 1.038 4211 N CA -2.478 50.591 53.050 0.031 0.000 0.934 4211 N CB 1.742 40.230 38.487 0.001 0.000 1.175 4211 N HN 0.123 nan 8.380 nan 0.000 0.512 4212 P HA -0.037 nan 4.420 nan 0.000 0.234 4212 P C 0.767 178.120 177.300 0.089 0.000 1.162 4212 P CA 0.676 63.823 63.100 0.078 0.000 0.759 4212 P CB 0.055 31.783 31.700 0.047 0.000 0.813 4213 G N -1.200 107.572 108.800 -0.047 0.000 2.986 4213 G HA2 0.025 3.985 3.960 -0.000 0.000 0.213 4213 G HA3 0.025 3.985 3.960 -0.000 0.000 0.213 4213 G C 0.388 174.907 174.900 -0.636 0.000 1.156 4213 G CA 0.120 45.045 45.100 -0.292 0.000 0.763 4213 G HN 0.318 nan 8.290 nan 0.000 0.547 4214 S N 0.235 115.812 115.700 -0.204 0.000 2.389 4214 S HA 0.526 4.996 4.470 -0.000 0.000 0.201 4214 S C -1.086 173.608 174.600 0.156 0.000 1.422 4214 S CA -0.366 57.785 58.200 -0.082 0.000 1.216 4214 S CB 0.708 63.858 63.200 -0.084 0.000 1.130 4214 S HN -0.043 nan 8.310 nan 0.000 0.465 4215 V N 3.961 124.130 119.914 0.425 0.000 2.448 4215 V HA 0.565 4.685 4.120 -0.000 0.000 0.295 4215 V C -0.003 176.236 176.094 0.241 0.000 1.025 4215 V CA -0.518 61.954 62.300 0.287 0.000 0.859 4215 V CB 2.007 33.994 31.823 0.273 0.000 0.988 4215 V HN 0.701 nan 8.190 nan 0.000 0.431 4216 T N 6.274 120.932 114.554 0.174 0.000 2.779 4216 T HA 0.624 4.974 4.350 -0.000 0.000 0.280 4216 T C -0.197 174.632 174.700 0.214 0.000 0.987 4216 T CA -0.200 61.996 62.100 0.159 0.000 0.966 4216 T CB 1.006 69.897 68.868 0.039 0.000 0.933 4216 T HN 0.627 nan 8.240 nan 0.000 0.442 4217 I N 1.551 122.235 120.570 0.190 0.000 2.359 4217 I HA 0.867 5.037 4.170 -0.000 0.000 0.294 4217 I C -1.002 175.311 176.117 0.326 0.000 0.987 4217 I CA -1.043 60.355 61.300 0.163 0.000 1.225 4217 I CB 0.975 38.833 38.000 -0.236 0.000 1.366 4217 I HN 0.486 nan 8.210 nan 0.000 0.466 4218 F N 3.086 123.070 119.950 0.056 0.000 2.608 4218 F HA 0.990 5.517 4.527 -0.000 0.000 0.309 4218 F C -0.495 175.220 175.800 -0.140 0.000 1.103 4218 F CA -1.613 56.457 58.000 0.116 0.000 0.954 4218 F CB 1.275 40.482 39.000 0.345 0.000 1.267 4218 F HN 0.800 nan 8.300 nan 0.000 0.444 4219 G N 1.231 109.814 108.800 -0.361 0.000 2.698 4219 G HA2 0.496 4.456 3.960 -0.000 0.000 0.293 4219 G HA3 0.496 4.456 3.960 -0.000 0.000 0.293 4219 G C -2.424 172.193 174.900 -0.471 0.000 1.437 4219 G CA -0.778 43.657 45.100 -1.109 0.000 0.852 4219 G HN 0.824 nan 8.290 nan 0.000 0.499 4220 E N 0.596 120.518 120.200 -0.463 0.000 2.202 4220 E HA 0.632 4.982 4.350 -0.000 0.000 0.272 4220 E C 0.834 177.436 176.600 0.003 0.000 0.951 4220 E CA 0.294 56.689 56.400 -0.010 0.000 0.813 4220 E CB 1.909 31.720 29.700 0.184 0.000 1.151 4220 E HN 0.728 nan 8.360 nan 0.000 0.398 4221 S N 2.723 118.480 115.700 0.096 0.000 4.054 4221 S HA -0.392 4.078 4.470 -0.000 0.000 0.618 4221 S C 1.455 176.153 174.600 0.163 0.000 2.026 4221 S CA 2.140 60.496 58.200 0.260 0.000 4.205 4221 S CB -1.560 61.857 63.200 0.362 0.000 0.233 4221 S HN 0.940 nan 8.310 nan 0.000 0.612 4222 A N 0.839 123.743 122.820 0.141 0.000 2.024 4222 A HA 0.119 4.439 4.320 -0.000 0.000 0.220 4222 A C 2.407 179.952 177.584 -0.064 0.000 1.164 4222 A CA 2.405 54.464 52.037 0.038 0.000 0.643 4222 A CB -1.488 17.532 19.000 0.034 0.000 0.806 4222 A HN 1.575 nan 8.150 nan 0.000 0.451 4223 G N -0.941 107.779 108.800 -0.134 0.000 2.448 4223 G HA2 0.121 4.081 3.960 -0.000 0.000 0.218 4223 G HA3 0.121 4.081 3.960 -0.000 0.000 0.218 4223 G C 1.354 176.081 174.900 -0.288 0.000 1.135 4223 G CA 1.103 46.003 45.100 -0.334 0.000 0.784 4223 G HN 0.658 nan 8.290 nan 0.000 0.543 4224 G N 0.083 108.797 108.800 -0.143 0.000 2.453 4224 G HA2 -0.060 3.900 3.960 -0.000 0.000 0.215 4224 G HA3 -0.060 3.900 3.960 -0.000 0.000 0.215 4224 G C 1.494 176.377 174.900 -0.029 0.000 1.147 4224 G CA 0.864 45.931 45.100 -0.055 0.000 0.802 4224 G HN 0.402 nan 8.290 nan 0.000 0.535 4225 E N 1.116 121.300 120.200 -0.027 0.000 2.152 4225 E HA -0.067 4.283 4.350 -0.000 0.000 0.192 4225 E C 2.385 178.932 176.600 -0.089 0.000 0.983 4225 E CA 0.894 57.272 56.400 -0.037 0.000 0.818 4225 E CB -0.098 29.585 29.700 -0.028 0.000 0.758 4225 E HN 0.327 nan 8.360 nan 0.000 0.467 4226 S N 0.074 115.708 115.700 -0.110 0.000 2.368 4226 S HA -0.096 4.374 4.470 -0.000 0.000 0.224 4226 S C 2.116 176.573 174.600 -0.240 0.000 1.029 4226 S CA 1.037 59.147 58.200 -0.151 0.000 0.988 4226 S CB -0.110 62.968 63.200 -0.203 0.000 0.838 4226 S HN 0.128 nan 8.310 nan 0.000 0.462 4227 V N 1.305 121.083 119.914 -0.227 0.000 2.295 4227 V HA -0.147 3.973 4.120 -0.000 0.000 0.246 4227 V C 2.579 178.523 176.094 -0.251 0.000 1.049 4227 V CA 1.930 64.067 62.300 -0.272 0.000 1.024 4227 V CB -0.868 30.849 31.823 -0.176 0.000 0.648 4227 V HN 0.537 nan 8.190 nan 0.000 0.447 4228 S N -0.362 115.268 115.700 -0.116 0.000 2.370 4228 S HA -0.184 4.286 4.470 -0.000 0.000 0.226 4228 S C 1.985 176.506 174.600 -0.132 0.000 1.033 4228 S CA 1.942 60.110 58.200 -0.053 0.000 1.011 4228 S CB -0.223 63.003 63.200 0.044 0.000 0.852 4228 S HN 0.333 nan 8.310 nan 0.000 0.457 4229 V N 1.857 121.657 119.914 -0.189 0.000 2.343 4229 V HA -0.118 4.002 4.120 -0.000 0.000 0.247 4229 V C 2.345 178.303 176.094 -0.227 0.000 1.051 4229 V CA 1.757 63.907 62.300 -0.249 0.000 1.036 4229 V CB -0.627 30.932 31.823 -0.440 0.000 0.654 4229 V HN 0.475 nan 8.190 nan 0.000 0.451 4230 L N -0.516 120.558 121.223 -0.248 0.000 2.141 4230 L HA -0.096 4.244 4.340 -0.000 0.000 0.209 4230 L C 2.323 179.190 176.870 -0.006 0.000 1.094 4230 L CA 0.788 55.518 54.840 -0.183 0.000 0.763 4230 L CB -0.489 41.364 42.059 -0.343 0.000 0.908 4230 L HN 0.195 nan 8.230 nan 0.000 0.437 4231 V N 0.029 119.911 119.914 -0.053 0.000 2.913 4231 V HA -0.198 3.922 4.120 -0.000 0.000 0.260 4231 V C 1.954 178.142 176.094 0.157 0.000 1.098 4231 V CA 1.257 63.632 62.300 0.126 0.000 1.121 4231 V CB -0.209 31.473 31.823 -0.236 0.000 0.714 4231 V HN 0.404 nan 8.190 nan 0.000 0.487 4232 L N -1.278 119.944 121.223 -0.000 0.000 2.590 4232 L HA 0.234 4.574 4.340 -0.000 0.000 0.227 4232 L C 1.138 177.853 176.870 -0.258 0.000 1.099 4232 L CA 0.165 54.916 54.840 -0.148 0.000 0.872 4232 L CB 0.291 42.260 42.059 -0.151 0.000 1.088 4232 L HN 0.191 nan 8.230 nan 0.000 0.479 4233 S N 0.310 115.965 115.700 -0.075 0.000 2.513 4233 S HA 0.270 4.740 4.470 -0.000 0.000 0.276 4233 S C -1.671 173.008 174.600 0.132 0.000 1.254 4233 S CA -1.303 56.871 58.200 -0.044 0.000 1.053 4233 S CB 1.287 64.468 63.200 -0.032 0.000 0.958 4233 S HN -0.112 nan 8.310 nan 0.000 0.491 4234 P HA 0.036 nan 4.420 nan 0.000 0.221 4234 P C 1.334 178.753 177.300 0.199 0.000 1.150 4234 P CA 0.582 63.855 63.100 0.289 0.000 0.800 4234 P CB 0.115 31.919 31.700 0.174 0.000 0.787 4235 L N -1.094 120.202 121.223 0.120 0.000 2.191 4235 L HA -0.133 4.207 4.340 -0.000 0.000 0.212 4235 L C 1.979 178.918 176.870 0.115 0.000 1.103 4235 L CA 1.473 56.371 54.840 0.096 0.000 0.769 4235 L CB -0.633 41.465 42.059 0.064 0.000 0.908 4235 L HN -0.006 nan 8.230 nan 0.000 0.438 4236 A N -1.146 121.768 122.820 0.157 0.000 2.348 4236 A HA -0.025 4.295 4.320 -0.000 0.000 0.224 4236 A C 2.034 179.743 177.584 0.208 0.000 1.227 4236 A CA 0.026 52.184 52.037 0.202 0.000 0.885 4236 A CB -0.079 19.064 19.000 0.239 0.000 0.933 4236 A HN 0.230 nan 8.150 nan 0.000 0.506 4237 K N 0.960 121.455 120.400 0.158 0.000 2.044 4237 K HA -0.241 4.079 4.320 -0.000 0.000 0.224 4237 K C 0.309 176.871 176.600 -0.063 0.000 1.056 4237 K CA 2.177 58.495 56.287 0.052 0.000 0.962 4237 K CB -0.224 32.321 32.500 0.073 0.000 0.730 4237 K HN 0.472 nan 8.250 nan 0.000 0.453 4238 N N 0.677 119.368 118.700 -0.015 0.000 2.451 4238 N HA 0.085 4.825 4.740 -0.000 0.000 0.264 4238 N C 0.184 175.647 175.510 -0.077 0.000 1.167 4238 N CA 0.162 53.176 53.050 -0.059 0.000 0.898 4238 N CB 0.540 39.026 38.487 -0.001 0.000 1.176 4238 N HN 0.277 nan 8.380 nan 0.000 0.507 4239 L N -0.321 120.873 121.223 -0.049 0.000 2.693 4239 L HA 0.293 4.633 4.340 -0.000 0.000 0.235 4239 L C -0.457 176.478 176.870 0.109 0.000 1.127 4239 L CA 0.055 54.936 54.840 0.068 0.000 0.914 4239 L CB 0.064 42.218 42.059 0.158 0.000 1.193 4239 L HN 0.029 nan 8.230 nan 0.000 0.502 4240 F N -4.237 115.476 119.950 -0.395 0.000 2.741 4240 F HA 0.436 4.963 4.527 -0.000 0.000 0.311 4240 F C 0.127 175.488 175.800 -0.733 0.000 1.149 4240 F CA -1.065 56.667 58.000 -0.446 0.000 0.930 4240 F CB 0.738 39.627 39.000 -0.184 0.000 1.312 4240 F HN -0.120 nan 8.300 nan 0.000 0.450 4241 H N 0.034 119.051 119.070 -0.089 0.000 3.058 4241 H HA 0.449 5.005 4.556 0.000 0.000 0.266 4241 H C -0.427 174.802 175.328 -0.164 0.000 1.135 4241 H CA -0.119 55.802 56.048 -0.212 0.000 1.174 4241 H CB 0.848 30.537 29.762 -0.120 0.000 1.581 4241 H HN 0.530 nan 8.280 nan 0.000 0.553 4242 R N 0.294 120.837 120.500 0.073 0.000 2.663 4242 R HA 0.717 5.057 4.340 -0.000 0.000 0.267 4242 R C -1.448 175.041 176.300 0.315 0.000 1.038 4242 R CA -0.768 55.368 56.100 0.060 0.000 0.886 4242 R CB 2.411 32.580 30.300 -0.218 0.000 1.249 4242 R HN 0.093 nan 8.270 nan 0.000 0.463 4243 A N 2.092 125.145 122.820 0.389 0.000 2.515 4243 A HA 0.797 5.117 4.320 -0.000 0.000 0.298 4243 A C -1.180 176.691 177.584 0.477 0.000 1.059 4243 A CA -0.694 51.536 52.037 0.322 0.000 0.698 4243 A CB 1.375 20.381 19.000 0.008 0.000 1.289 4243 A HN 0.602 nan 8.150 nan 0.000 0.404 4244 I N 1.232 122.005 120.570 0.337 0.000 2.478 4244 I HA 0.352 4.522 4.170 -0.000 0.000 0.287 4244 I C -0.279 176.011 176.117 0.288 0.000 1.042 4244 I CA -0.328 61.111 61.300 0.233 0.000 1.067 4244 I CB 2.371 40.420 38.000 0.081 0.000 1.233 4244 I HN 0.479 nan 8.210 nan 0.000 0.431 4245 S N 5.076 120.921 115.700 0.241 0.000 2.498 4245 S HA 0.352 4.822 4.470 -0.000 0.000 0.324 4245 S C -0.507 174.185 174.600 0.153 0.000 1.071 4245 S CA -0.597 57.710 58.200 0.178 0.000 1.113 4245 S CB 0.890 64.190 63.200 0.166 0.000 0.976 4245 S HN 0.480 nan 8.310 nan 0.000 0.462 4246 E N 1.747 122.076 120.200 0.215 0.000 2.109 4246 E HA 0.326 4.676 4.350 -0.000 0.000 0.278 4246 E C -0.302 176.393 176.600 0.158 0.000 0.954 4246 E CA -0.473 56.089 56.400 0.269 0.000 0.779 4246 E CB 1.022 30.956 29.700 0.391 0.000 1.093 4246 E HN 0.627 nan 8.360 nan 0.000 0.401 4247 S N 2.060 117.834 115.700 0.123 0.000 3.628 4247 S HA -0.160 4.310 4.470 -0.000 0.000 0.373 4247 S C 0.047 174.874 174.600 0.377 0.000 0.968 4247 S CA 0.602 58.885 58.200 0.137 0.000 1.215 4247 S CB -1.131 62.067 63.200 -0.003 0.000 0.912 4247 S HN 0.946 nan 8.310 nan 0.000 0.495 4248 G N -1.017 107.980 108.800 0.329 0.000 2.046 4248 G HA2 0.473 4.433 3.960 -0.000 0.000 0.245 4248 G HA3 0.473 4.433 3.960 -0.000 0.000 0.245 4248 G C -0.813 174.155 174.900 0.113 0.000 1.723 4248 G CA -0.010 45.264 45.100 0.291 0.000 0.909 4248 G HN 1.450 nan 8.290 nan 0.000 0.737 4249 V N -0.344 119.597 119.914 0.044 0.000 3.156 4249 V HA 0.941 5.061 4.120 -0.000 0.000 0.311 4249 V C 1.406 177.478 176.094 -0.036 0.000 1.208 4249 V CA -0.023 62.286 62.300 0.014 0.000 1.063 4249 V CB 1.285 33.111 31.823 0.006 0.000 1.098 4249 V HN 2.160 nan 8.190 nan 0.000 0.452 4250 A N -0.240 122.558 122.820 -0.038 0.000 2.225 4250 A HA 0.159 4.479 4.320 -0.000 0.000 0.215 4250 A C 1.483 179.011 177.584 -0.094 0.000 1.164 4250 A CA 1.409 53.401 52.037 -0.075 0.000 0.710 4250 A CB -0.785 18.169 19.000 -0.077 0.000 0.780 4250 A HN 0.803 nan 8.150 nan 0.000 0.473 4251 L N -0.352 120.814 121.223 -0.095 0.000 2.667 4251 L HA 0.068 4.408 4.340 -0.000 0.000 0.232 4251 L C 0.108 176.868 176.870 -0.183 0.000 1.138 4251 L CA 0.017 54.781 54.840 -0.127 0.000 0.921 4251 L CB -0.032 41.965 42.059 -0.102 0.000 1.180 4251 L HN 0.105 nan 8.230 nan 0.000 0.487 4252 T N 0.467 114.903 114.554 -0.197 0.000 3.185 4252 T HA 0.012 4.362 4.350 -0.000 0.000 0.287 4252 T C 1.535 176.078 174.700 -0.260 0.000 1.051 4252 T CA 0.238 62.162 62.100 -0.294 0.000 1.051 4252 T CB 0.527 69.203 68.868 -0.319 0.000 1.034 4252 T HN 0.402 nan 8.240 nan 0.000 0.685 4253 S N 2.330 117.867 115.700 -0.271 0.000 2.434 4253 S HA -0.189 4.281 4.470 -0.000 0.000 0.243 4253 S C 2.092 176.560 174.600 -0.221 0.000 1.045 4253 S CA 1.508 59.559 58.200 -0.249 0.000 1.019 4253 S CB -0.701 62.319 63.200 -0.299 0.000 0.811 4253 S HN 0.496 nan 8.310 nan 0.000 0.485 4254 V N 1.082 120.858 119.914 -0.230 0.000 2.515 4254 V HA 0.060 4.180 4.120 -0.000 0.000 0.250 4254 V C 2.007 178.012 176.094 -0.148 0.000 1.058 4254 V CA 1.718 63.910 62.300 -0.180 0.000 1.064 4254 V CB -0.449 31.274 31.823 -0.168 0.000 0.675 4254 V HN 0.660 nan 8.190 nan 0.000 0.461 4255 L N -0.307 120.824 121.223 -0.154 0.000 2.558 4255 L HA 0.195 4.535 4.340 -0.000 0.000 0.225 4255 L C 0.165 176.953 176.870 -0.136 0.000 1.128 4255 L CA 0.004 54.756 54.840 -0.147 0.000 0.868 4255 L CB 0.442 42.425 42.059 -0.128 0.000 1.006 4255 L HN 0.109 nan 8.230 nan 0.000 0.454 4256 V N 0.983 120.821 119.914 -0.128 0.000 2.407 4256 V HA 0.265 4.385 4.120 -0.000 0.000 0.291 4256 V C -0.218 175.813 176.094 -0.104 0.000 1.018 4256 V CA -0.916 61.321 62.300 -0.106 0.000 0.842 4256 V CB 1.659 33.417 31.823 -0.110 0.000 0.996 4256 V HN 0.031 nan 8.190 nan 0.000 0.426 4257 K N 4.936 125.285 120.400 -0.085 0.000 2.273 4257 K HA 0.433 4.753 4.320 -0.000 0.000 0.287 4257 K C -0.238 176.317 176.600 -0.074 0.000 1.089 4257 K CA -0.231 56.010 56.287 -0.077 0.000 0.909 4257 K CB 1.138 33.598 32.500 -0.066 0.000 1.123 4257 K HN 0.570 nan 8.250 nan 0.000 0.473 4258 K N 0.682 121.036 120.400 -0.077 0.000 2.098 4258 K HA 0.565 4.885 4.320 -0.000 0.000 0.258 4258 K C 0.439 177.005 176.600 -0.057 0.000 0.973 4258 K CA -0.423 55.821 56.287 -0.071 0.000 0.898 4258 K CB 1.247 33.699 32.500 -0.080 0.000 1.057 4258 K HN 0.737 nan 8.250 nan 0.000 0.447 4259 G N 1.544 110.313 108.800 -0.051 0.000 2.760 4259 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.246 4259 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.246 4259 G C -1.035 173.840 174.900 -0.043 0.000 1.359 4259 G CA -0.607 44.468 45.100 -0.041 0.000 0.861 4259 G HN 0.759 nan 8.290 nan 0.000 0.541 4260 D N -0.384 119.995 120.400 -0.035 0.000 2.451 4260 D HA 0.281 4.921 4.640 -0.000 0.000 0.254 4260 D C 1.762 178.035 176.300 -0.045 0.000 1.204 4260 D CA 0.870 54.847 54.000 -0.038 0.000 0.896 4260 D CB 0.974 41.758 40.800 -0.026 0.000 1.136 4260 D HN 1.355 nan 8.370 nan 0.000 0.499 4261 V N 1.771 121.646 119.914 -0.064 0.000 3.649 4261 V HA 0.150 4.270 4.120 -0.000 0.000 0.275 4261 V C 1.947 177.985 176.094 -0.094 0.000 1.281 4261 V CA 0.126 62.377 62.300 -0.082 0.000 1.143 4261 V CB -0.183 31.573 31.823 -0.113 0.000 0.892 4261 V HN 0.293 nan 8.190 nan 0.000 0.441 4262 K N 2.001 122.357 120.400 -0.073 0.000 2.103 4262 K HA -0.027 4.293 4.320 -0.000 0.000 0.207 4262 K C -0.241 176.335 176.600 -0.039 0.000 1.048 4262 K CA 2.163 58.413 56.287 -0.061 0.000 0.930 4262 K CB -1.528 30.952 32.500 -0.033 0.000 0.716 4262 K HN 0.459 nan 8.250 nan 0.000 0.444 4263 P HA -0.170 nan 4.420 nan 0.000 0.215 4263 P C 1.361 178.663 177.300 0.003 0.000 1.153 4263 P CA 0.990 64.087 63.100 -0.006 0.000 0.853 4263 P CB 0.045 31.743 31.700 -0.004 0.000 0.788 4264 L N -0.934 120.286 121.223 -0.006 0.000 2.017 4264 L HA -0.185 4.155 4.340 -0.000 0.000 0.208 4264 L C 2.198 179.086 176.870 0.031 0.000 1.073 4264 L CA 1.889 56.741 54.840 0.021 0.000 0.745 4264 L CB -0.967 41.096 42.059 0.007 0.000 0.894 4264 L HN -0.041 nan 8.230 nan 0.000 0.432 4265 A N 0.017 122.802 122.820 -0.058 0.000 1.873 4265 A HA -0.284 4.036 4.320 -0.000 0.000 0.218 4265 A C 1.993 179.663 177.584 0.144 0.000 1.193 4265 A CA 2.089 54.092 52.037 -0.057 0.000 0.629 4265 A CB -0.643 18.205 19.000 -0.253 0.000 0.826 4265 A HN 0.590 nan 8.150 nan 0.000 0.447 4266 E N -0.950 119.292 120.200 0.069 0.000 2.077 4266 E HA -0.267 4.083 4.350 -0.000 0.000 0.193 4266 E C 2.256 178.896 176.600 0.066 0.000 0.989 4266 E CA 1.314 57.755 56.400 0.068 0.000 0.800 4266 E CB -0.214 29.507 29.700 0.035 0.000 0.746 4266 E HN 0.841 nan 8.360 nan 0.000 0.452 4267 Q N 0.775 120.612 119.800 0.062 0.000 2.170 4267 Q HA -0.155 4.185 4.340 -0.000 0.000 0.203 4267 Q C 2.077 178.118 176.000 0.068 0.000 0.976 4267 Q CA 1.021 56.854 55.803 0.051 0.000 0.858 4267 Q CB 0.058 28.822 28.738 0.042 0.000 0.907 4267 Q HN 0.313 nan 8.270 nan 0.000 0.433 4268 I N 0.237 120.881 120.570 0.125 0.000 2.333 4268 I HA -0.168 4.002 4.170 -0.000 0.000 0.246 4268 I C 2.408 178.570 176.117 0.076 0.000 1.106 4268 I CA 0.739 62.124 61.300 0.142 0.000 1.411 4268 I CB -0.382 37.782 38.000 0.273 0.000 1.082 4268 I HN 0.259 nan 8.210 nan 0.000 0.420 4269 A N 1.266 124.140 122.820 0.090 0.000 1.908 4269 A HA -0.188 4.132 4.320 -0.000 0.000 0.218 4269 A C 2.298 179.885 177.584 0.006 0.000 1.181 4269 A CA 1.535 53.584 52.037 0.020 0.000 0.627 4269 A CB -0.803 18.228 19.000 0.051 0.000 0.818 4269 A HN 0.356 nan 8.150 nan 0.000 0.445 4270 I N -0.600 119.983 120.570 0.021 0.000 2.142 4270 I HA -0.225 3.945 4.170 -0.000 0.000 0.240 4270 I C 2.561 178.678 176.117 -0.000 0.000 1.078 4270 I CA 1.835 63.140 61.300 0.008 0.000 1.343 4270 I CB -0.761 37.246 38.000 0.011 0.000 1.046 4270 I HN 0.255 nan 8.210 nan 0.000 0.405 4271 T N 0.827 115.383 114.554 0.002 0.000 2.803 4271 T HA -0.147 4.203 4.350 -0.000 0.000 0.269 4271 T C 1.788 176.481 174.700 -0.012 0.000 1.052 4271 T CA 1.407 63.503 62.100 -0.007 0.000 1.136 4271 T CB -0.250 68.612 68.868 -0.010 0.000 0.864 4271 T HN 0.486 nan 8.240 nan 0.000 0.467 4272 A N 0.277 123.087 122.820 -0.016 0.000 2.206 4272 A HA 0.495 4.815 4.320 -0.000 0.000 0.211 4272 A C 1.849 179.415 177.584 -0.030 0.000 1.158 4272 A CA 0.828 52.846 52.037 -0.032 0.000 0.761 4272 A CB -0.630 18.332 19.000 -0.063 0.000 0.801 4272 A HN 0.768 nan 8.150 nan 0.000 0.473 4273 G N -2.058 106.729 108.800 -0.021 0.000 2.142 4273 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.225 4273 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.225 4273 G C -0.011 174.877 174.900 -0.020 0.000 1.015 4273 G CA -0.032 45.057 45.100 -0.018 0.000 0.716 4273 G HN 0.601 nan 8.290 nan 0.000 0.508 4274 c N 0.923 119.510 118.600 -0.022 0.000 2.391 4274 c HA 0.701 5.271 4.570 -0.000 0.000 0.339 4274 c C 0.834 174.920 174.090 -0.007 0.000 1.205 4274 c CA -1.250 55.066 56.329 -0.022 0.000 1.937 4274 c CB 1.565 44.050 42.510 -0.042 0.000 2.341 4274 c HN 0.434 nan 8.230 nan 0.000 0.516 4275 K N 1.224 121.623 120.400 -0.002 0.000 2.219 4275 K HA 0.234 4.554 4.320 -0.000 0.000 0.258 4275 K C 0.903 177.509 176.600 0.010 0.000 1.008 4275 K CA 0.355 56.645 56.287 0.004 0.000 0.928 4275 K CB 0.641 33.145 32.500 0.006 0.000 0.983 4275 K HN 0.899 nan 8.250 nan 0.000 0.484 4276 T N -2.697 111.865 114.554 0.012 0.000 3.252 4276 T HA 0.064 4.414 4.350 -0.000 0.000 0.286 4276 T C 1.188 175.895 174.700 0.012 0.000 1.013 4276 T CA -0.317 61.794 62.100 0.019 0.000 0.914 4276 T CB 0.036 68.918 68.868 0.023 0.000 1.131 4276 T HN 0.390 nan 8.240 nan 0.000 0.529 4277 T N 3.090 117.647 114.554 0.005 0.000 2.620 4277 T HA -0.097 4.253 4.350 -0.000 0.000 0.267 4277 T C 1.183 175.881 174.700 -0.004 0.000 1.044 4277 T CA 2.205 64.305 62.100 -0.000 0.000 1.161 4277 T CB -0.526 68.340 68.868 -0.005 0.000 0.862 4277 T HN 0.873 nan 8.240 nan 0.000 0.438 4278 T N -2.653 111.893 114.554 -0.013 0.000 2.816 4278 T HA 0.533 4.883 4.350 -0.000 0.000 0.299 4278 T C 0.969 175.652 174.700 -0.028 0.000 1.230 4278 T CA -0.351 61.734 62.100 -0.025 0.000 1.007 4278 T CB 1.746 70.580 68.868 -0.056 0.000 1.289 4278 T HN -0.153 nan 8.240 nan 0.000 0.508 4279 S N 0.354 116.039 115.700 -0.025 0.000 2.353 4279 S HA -0.080 4.390 4.470 -0.000 0.000 0.222 4279 S C 2.457 177.018 174.600 -0.065 0.000 1.035 4279 S CA 1.658 59.865 58.200 0.012 0.000 1.025 4279 S CB -1.027 62.248 63.200 0.125 0.000 0.902 4279 S HN 0.953 nan 8.310 nan 0.000 0.440 4280 A N 0.719 123.334 122.820 -0.341 0.000 1.972 4280 A HA -0.048 4.272 4.320 -0.000 0.000 0.219 4280 A C 2.279 179.809 177.584 -0.089 0.000 1.169 4280 A CA 1.377 53.211 52.037 -0.339 0.000 0.635 4280 A CB -0.731 17.903 19.000 -0.609 0.000 0.810 4280 A HN 0.362 nan 8.150 nan 0.000 0.446 4281 V N -0.190 119.684 119.914 -0.067 0.000 2.307 4281 V HA -0.308 3.812 4.120 -0.000 0.000 0.245 4281 V C 2.622 178.737 176.094 0.034 0.000 1.045 4281 V CA 2.198 64.500 62.300 0.004 0.000 1.024 4281 V CB -0.669 31.149 31.823 -0.007 0.000 0.651 4281 V HN 0.586 nan 8.190 nan 0.000 0.449 4282 M N -0.563 119.050 119.600 0.021 0.000 2.067 4282 M HA -0.171 4.309 4.480 -0.000 0.000 0.260 4282 M C 2.250 178.523 176.300 -0.044 0.000 1.069 4282 M CA 1.833 57.142 55.300 0.015 0.000 1.117 4282 M CB -0.609 32.049 32.600 0.097 0.000 1.334 4282 M HN 0.242 nan 8.290 nan 0.000 0.407 4283 V N -0.390 119.528 119.914 0.007 0.000 2.255 4283 V HA -0.325 3.795 4.120 -0.000 0.000 0.247 4283 V C 2.300 178.402 176.094 0.014 0.000 1.051 4283 V CA 2.518 64.797 62.300 -0.036 0.000 1.018 4283 V CB -1.184 30.701 31.823 0.103 0.000 0.641 4283 V HN 0.489 nan 8.190 nan 0.000 0.445 4284 H N -0.654 118.403 119.070 -0.022 0.000 2.319 4284 H HA -0.229 4.327 4.556 -0.000 0.000 0.299 4284 H C 2.377 177.694 175.328 -0.020 0.000 1.092 4284 H CA 2.281 58.323 56.048 -0.010 0.000 1.302 4284 H CB -0.683 29.067 29.762 -0.019 0.000 1.373 4284 H HN 0.480 nan 8.280 nan 0.000 0.497 4285 c N -0.128 118.417 118.600 -0.091 0.000 2.432 4285 c HA -0.081 4.489 4.570 -0.000 0.000 0.277 4285 c C 2.834 176.833 174.090 -0.152 0.000 1.249 4285 c CA 1.011 57.257 56.329 -0.138 0.000 1.725 4285 c CB -1.437 41.038 42.510 -0.059 0.000 2.028 4285 c HN 0.652 nan 8.230 nan 0.000 0.477 4286 L N 0.346 121.478 121.223 -0.151 0.000 2.083 4286 L HA -0.124 4.216 4.340 -0.000 0.000 0.209 4286 L C 2.973 179.827 176.870 -0.027 0.000 1.083 4286 L CA 1.521 56.280 54.840 -0.134 0.000 0.752 4286 L CB -0.699 41.164 42.059 -0.327 0.000 0.899 4286 L HN 0.363 nan 8.230 nan 0.000 0.433 4287 R N -0.418 120.072 120.500 -0.017 0.000 2.189 4287 R HA -0.122 4.218 4.340 -0.000 0.000 0.223 4287 R C 2.092 178.317 176.300 -0.126 0.000 1.092 4287 R CA 0.706 56.774 56.100 -0.052 0.000 0.989 4287 R CB -0.098 30.176 30.300 -0.043 0.000 0.876 4287 R HN 0.424 nan 8.270 nan 0.000 0.457 4288 Q N 0.621 120.312 119.800 -0.181 0.000 2.378 4288 Q HA 0.035 4.375 4.340 -0.000 0.000 0.205 4288 Q C 0.182 176.125 176.000 -0.094 0.000 0.954 4288 Q CA 0.771 56.478 55.803 -0.161 0.000 0.901 4288 Q CB 0.196 28.812 28.738 -0.205 0.000 0.981 4288 Q HN 0.065 nan 8.270 nan 0.000 0.483 4289 K N 2.031 122.381 120.400 -0.083 0.000 2.237 4289 K HA 0.118 4.438 4.320 -0.000 0.000 0.270 4289 K C 0.546 177.133 176.600 -0.022 0.000 1.015 4289 K CA 0.010 56.266 56.287 -0.052 0.000 0.949 4289 K CB 0.529 32.992 32.500 -0.062 0.000 0.976 4289 K HN 0.158 nan 8.250 nan 0.000 0.472 4290 T N -2.217 112.339 114.554 0.003 0.000 2.868 4290 T HA 0.049 4.399 4.350 -0.000 0.000 0.292 4290 T C 1.331 176.088 174.700 0.095 0.000 1.028 4290 T CA -0.541 61.578 62.100 0.032 0.000 1.059 4290 T CB 1.129 70.011 68.868 0.024 0.000 0.991 4290 T HN 0.631 nan 8.240 nan 0.000 0.531 4291 E N 0.578 120.857 120.200 0.131 0.000 2.086 4291 E HA -0.275 4.075 4.350 -0.000 0.000 0.200 4291 E C 1.681 178.446 176.600 0.276 0.000 1.012 4291 E CA 1.891 58.447 56.400 0.261 0.000 0.812 4291 E CB -0.090 29.673 29.700 0.104 0.000 0.743 4291 E HN 0.805 nan 8.360 nan 0.000 0.453 4292 E N 0.710 120.993 120.200 0.138 0.000 2.110 4292 E HA -0.176 4.174 4.350 -0.000 0.000 0.193 4292 E C 1.907 178.577 176.600 0.117 0.000 0.988 4292 E CA 1.404 57.873 56.400 0.115 0.000 0.804 4292 E CB -0.139 29.596 29.700 0.058 0.000 0.745 4292 E HN 0.419 nan 8.360 nan 0.000 0.458 4293 E N 0.420 120.672 120.200 0.086 0.000 2.077 4293 E HA -0.130 4.220 4.350 -0.000 0.000 0.193 4293 E C 2.074 178.705 176.600 0.052 0.000 0.989 4293 E CA 0.822 57.252 56.400 0.051 0.000 0.800 4293 E CB -0.198 29.513 29.700 0.018 0.000 0.746 4293 E HN 0.245 nan 8.360 nan 0.000 0.452 4294 L N 0.655 121.914 121.223 0.060 0.000 2.201 4294 L HA -0.146 4.194 4.340 -0.000 0.000 0.212 4294 L C 2.482 179.397 176.870 0.076 0.000 1.105 4294 L CA 0.230 55.032 54.840 -0.063 0.000 0.775 4294 L CB -0.236 41.617 42.059 -0.342 0.000 0.913 4294 L HN 0.180 nan 8.230 nan 0.000 0.440 4295 L N -0.090 121.330 121.223 0.329 0.000 2.109 4295 L HA -0.134 4.206 4.340 -0.000 0.000 0.207 4295 L C 2.323 179.311 176.870 0.197 0.000 1.086 4295 L CA 1.688 56.761 54.840 0.389 0.000 0.760 4295 L CB -0.452 41.796 42.059 0.314 0.000 0.910 4295 L HN 0.183 nan 8.230 nan 0.000 0.437 4296 E N -1.212 119.063 120.200 0.125 0.000 2.150 4296 E HA -0.158 4.192 4.350 -0.000 0.000 0.193 4296 E C 1.836 178.470 176.600 0.055 0.000 0.985 4296 E CA 1.476 57.921 56.400 0.074 0.000 0.814 4296 E CB -0.073 29.656 29.700 0.048 0.000 0.752 4296 E HN 0.536 nan 8.360 nan 0.000 0.466 4297 T N 0.534 115.119 114.554 0.052 0.000 2.777 4297 T HA -0.118 4.232 4.350 -0.000 0.000 0.266 4297 T C 2.016 176.754 174.700 0.063 0.000 1.040 4297 T CA 1.538 63.656 62.100 0.030 0.000 1.141 4297 T CB -0.375 68.497 68.868 0.006 0.000 0.868 4297 T HN 0.156 nan 8.240 nan 0.000 0.444 4298 T N 2.954 117.594 114.554 0.143 0.000 2.607 4298 T HA -0.064 4.286 4.350 -0.000 0.000 0.267 4298 T C 1.998 176.786 174.700 0.148 0.000 1.049 4298 T CA 1.165 63.429 62.100 0.273 0.000 1.162 4298 T CB -0.676 68.403 68.868 0.351 0.000 0.863 4298 T HN 0.244 nan 8.240 nan 0.000 0.424 4299 L N 0.480 121.771 121.223 0.112 0.000 2.043 4299 L HA -0.181 4.159 4.340 -0.000 0.000 0.212 4299 L C 2.697 179.556 176.870 -0.019 0.000 1.075 4299 L CA 1.589 56.461 54.840 0.054 0.000 0.752 4299 L CB -0.589 41.502 42.059 0.053 0.000 0.891 4299 L HN 0.283 nan 8.230 nan 0.000 0.432 4300 K N -0.488 119.894 120.400 -0.029 0.000 2.097 4300 K HA -0.141 4.179 4.320 -0.000 0.000 0.206 4300 K C 2.041 178.551 176.600 -0.150 0.000 1.049 4300 K CA 1.175 57.422 56.287 -0.066 0.000 0.933 4300 K CB -0.100 32.373 32.500 -0.045 0.000 0.717 4300 K HN 0.249 nan 8.250 nan 0.000 0.442 4301 M N 0.838 120.283 119.600 -0.259 0.000 2.549 4301 M HA -0.055 4.425 4.480 -0.000 0.000 0.260 4301 M C 0.042 175.968 176.300 -0.622 0.000 1.076 4301 M CA 1.017 55.978 55.300 -0.564 0.000 1.090 4301 M CB -0.582 31.348 32.600 -1.117 0.000 1.418 4301 M HN 0.063 nan 8.290 nan 0.000 0.486 4302 K N 0.702 120.892 120.400 -0.351 0.000 3.278 4302 K HA -0.188 4.132 4.320 -0.000 0.000 0.270 4302 K C -0.443 176.061 176.600 -0.161 0.000 0.955 4302 K CA 0.173 56.346 56.287 -0.189 0.000 0.723 4302 K CB -2.122 30.300 32.500 -0.130 0.000 1.382 4302 K HN 0.190 nan 8.250 nan 0.000 0.461 4303 F N 0.225 120.194 119.950 0.031 0.000 2.472 4303 F HA 0.069 4.596 4.527 -0.000 0.000 0.312 4303 F C 2.123 177.939 175.800 0.027 0.000 1.256 4303 F CA 0.058 58.077 58.000 0.031 0.000 1.275 4303 F CB 0.257 39.285 39.000 0.047 0.000 1.228 4303 F HN 0.113 nan 8.300 nan 0.000 0.567 4304 L N 0.102 121.480 121.223 0.259 0.000 3.976 4304 L HA -0.287 4.053 4.340 -0.000 0.000 0.418 4304 L C -0.193 176.740 176.870 0.105 0.000 1.177 4304 L CA 0.442 55.371 54.840 0.148 0.000 0.968 4304 L CB -1.800 40.334 42.059 0.124 0.000 1.933 4304 L HN 0.513 nan 8.230 nan 0.000 0.976 4305 S N -0.177 115.575 115.700 0.087 0.000 2.571 4305 S HA 0.595 5.065 4.470 -0.000 0.000 0.284 4305 S C -0.475 174.136 174.600 0.018 0.000 1.128 4305 S CA -0.793 57.435 58.200 0.046 0.000 0.970 4305 S CB 1.711 64.922 63.200 0.018 0.000 1.039 4305 S HN 0.218 nan 8.310 nan 0.000 0.485 4306 L N 4.345 125.563 121.223 -0.008 0.000 2.534 4306 L HA 0.311 4.651 4.340 -0.000 0.000 0.271 4306 L C -0.171 176.643 176.870 -0.093 0.000 1.178 4306 L CA 0.616 55.403 54.840 -0.089 0.000 0.907 4306 L CB 0.292 42.166 42.059 -0.307 0.000 1.164 4306 L HN 0.626 nan 8.230 nan 0.000 0.482 4307 D N 4.668 125.023 120.400 -0.076 0.000 2.380 4307 D HA 0.141 4.781 4.640 -0.000 0.000 0.230 4307 D C 0.825 177.081 176.300 -0.073 0.000 1.154 4307 D CA -0.029 53.931 54.000 -0.067 0.000 0.859 4307 D CB 0.670 41.437 40.800 -0.056 0.000 1.045 4307 D HN 0.590 nan 8.370 nan 0.000 0.495 4308 L N 1.927 123.110 121.223 -0.067 0.000 2.375 4308 L HA 0.095 4.435 4.340 -0.000 0.000 0.215 4308 L C 1.301 178.157 176.870 -0.023 0.000 1.108 4308 L CA 0.389 55.199 54.840 -0.051 0.000 0.830 4308 L CB -0.047 41.981 42.059 -0.052 0.000 0.959 4308 L HN 0.352 nan 8.230 nan 0.000 0.457 4309 Q N 1.370 121.155 119.800 -0.025 0.000 2.347 4309 Q HA 0.485 4.825 4.340 -0.000 0.000 0.262 4309 Q C -0.561 175.430 176.000 -0.015 0.000 0.980 4309 Q CA 0.116 55.912 55.803 -0.012 0.000 0.867 4309 Q CB 1.738 30.468 28.738 -0.014 0.000 1.242 4309 Q HN 0.255 nan 8.270 nan 0.000 0.453 4310 G N 4.085 112.884 108.800 -0.002 0.000 3.055 4310 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.685 4310 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.685 4310 G C -0.736 174.159 174.900 -0.007 0.000 1.212 4310 G CA -0.496 44.601 45.100 -0.005 0.000 0.822 4310 G HN 0.716 nan 8.290 nan 0.000 0.610 4311 D N 3.185 123.592 120.400 0.011 0.000 2.772 4311 D HA 0.004 4.644 4.640 -0.000 0.000 0.227 4311 D C -0.516 175.727 176.300 -0.095 0.000 1.114 4311 D CA -0.081 53.926 54.000 0.012 0.000 0.832 4311 D CB 1.016 41.834 40.800 0.030 0.000 1.154 4311 D HN 0.076 nan 8.370 nan 0.000 0.514 4312 P HA -0.127 nan 4.420 nan 0.000 0.216 4312 P C 1.097 178.219 177.300 -0.298 0.000 1.150 4312 P CA 1.194 64.071 63.100 -0.371 0.000 0.837 4312 P CB 0.147 31.348 31.700 -0.832 0.000 0.786 4313 R N -0.312 119.937 120.500 -0.419 0.000 2.237 4313 R HA -0.076 4.264 4.340 -0.000 0.000 0.219 4313 R C 1.700 177.959 176.300 -0.068 0.000 1.080 4313 R CA 0.953 56.883 56.100 -0.284 0.000 0.995 4313 R CB -0.392 29.697 30.300 -0.352 0.000 0.875 4313 R HN 0.403 nan 8.270 nan 0.000 0.462 4314 E N -0.096 120.065 120.200 -0.066 0.000 2.452 4314 E HA 0.085 4.435 4.350 -0.000 0.000 0.197 4314 E C -0.224 176.367 176.600 -0.015 0.000 1.022 4314 E CA -0.137 56.248 56.400 -0.025 0.000 0.890 4314 E CB 0.664 30.350 29.700 -0.023 0.000 0.918 4314 E HN 0.062 nan 8.360 nan 0.000 0.496 4315 S N 1.585 117.270 115.700 -0.026 0.000 2.533 4315 S HA 0.108 4.578 4.470 -0.000 0.000 0.282 4315 S C 0.053 174.666 174.600 0.023 0.000 1.304 4315 S CA -0.073 58.119 58.200 -0.014 0.000 1.063 4315 S CB 0.842 64.022 63.200 -0.033 0.000 0.881 4315 S HN 0.080 nan 8.310 nan 0.000 0.493 4316 Q N 3.355 123.185 119.800 0.051 0.000 2.523 4316 Q HA 0.302 4.642 4.340 -0.000 0.000 0.251 4316 Q C -1.664 174.457 176.000 0.201 0.000 1.033 4316 Q CA -2.108 53.766 55.803 0.118 0.000 0.746 4316 Q CB 1.053 29.895 28.738 0.174 0.000 1.189 4316 Q HN 0.315 nan 8.270 nan 0.000 0.508 4317 P HA -0.150 nan 4.420 nan 0.000 0.218 4317 P C -0.314 177.129 177.300 0.239 0.000 1.146 4317 P CA 1.051 64.246 63.100 0.159 0.000 0.813 4317 P CB 0.240 31.985 31.700 0.074 0.000 0.778 4318 L N -5.874 115.444 121.223 0.159 0.000 3.119 4318 L HA 0.437 4.777 4.340 -0.000 0.000 0.283 4318 L C -1.465 175.281 176.870 -0.208 0.000 1.028 4318 L CA -1.248 53.532 54.840 -0.099 0.000 0.975 4318 L CB 0.442 42.423 42.059 -0.130 0.000 1.543 4318 L HN -0.374 nan 8.230 nan 0.000 0.390 4319 L N 1.134 122.121 121.223 -0.393 0.000 2.262 4319 L HA 0.833 5.173 4.340 -0.000 0.000 0.288 4319 L C 0.532 177.244 176.870 -0.263 0.000 1.035 4319 L CA 0.012 54.718 54.840 -0.224 0.000 0.820 4319 L CB 0.782 42.744 42.059 -0.162 0.000 1.204 4319 L HN 0.967 nan 8.230 nan 0.000 0.424 4320 G N 1.858 110.528 108.800 -0.217 0.000 3.122 4320 G HA2 0.448 4.408 3.960 -0.000 0.000 0.180 4320 G HA3 0.448 4.408 3.960 -0.000 0.000 0.180 4320 G C -0.466 174.346 174.900 -0.147 0.000 1.279 4320 G CA -0.335 44.553 45.100 -0.353 0.000 0.987 4320 G HN 0.359 nan 8.290 nan 0.000 0.589 4321 T N 0.115 114.628 114.554 -0.069 0.000 2.898 4321 T HA 0.456 4.806 4.350 -0.000 0.000 0.301 4321 T C 0.292 175.015 174.700 0.039 0.000 1.049 4321 T CA 0.284 62.471 62.100 0.145 0.000 1.095 4321 T CB 1.179 70.139 68.868 0.154 0.000 0.976 4321 T HN 1.137 nan 8.240 nan 0.000 0.539 4322 V N -0.628 119.304 119.914 0.031 0.000 3.181 4322 V HA 0.589 4.709 4.120 -0.000 0.000 0.308 4322 V C -0.860 175.198 176.094 -0.061 0.000 1.214 4322 V CA -1.347 60.929 62.300 -0.041 0.000 1.053 4322 V CB 1.833 33.613 31.823 -0.072 0.000 1.069 4322 V HN 0.618 nan 8.190 nan 0.000 0.441 4323 I N 3.821 124.346 120.570 -0.075 0.000 2.243 4323 I HA 0.203 4.373 4.170 -0.000 0.000 0.297 4323 I C 1.445 177.509 176.117 -0.088 0.000 1.161 4323 I CA 0.176 61.428 61.300 -0.080 0.000 1.298 4323 I CB -0.519 37.437 38.000 -0.074 0.000 1.475 4323 I HN 0.999 nan 8.210 nan 0.000 0.561 4324 D N 4.433 124.772 120.400 -0.102 0.000 2.123 4324 D HA -0.114 4.526 4.640 -0.000 0.000 0.200 4324 D C 1.330 177.574 176.300 -0.093 0.000 0.976 4324 D CA 1.425 55.350 54.000 -0.125 0.000 0.831 4324 D CB 0.521 41.216 40.800 -0.175 0.000 0.974 4324 D HN 0.630 nan 8.370 nan 0.000 0.469 4325 G N 0.003 108.757 108.800 -0.075 0.000 2.211 4325 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.201 4325 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.201 4325 G C 1.026 175.902 174.900 -0.041 0.000 0.997 4325 G CA 0.436 45.503 45.100 -0.055 0.000 0.652 4325 G HN 0.244 nan 8.290 nan 0.000 0.500 4326 M N -1.103 118.470 119.600 -0.044 0.000 2.971 4326 M HA 0.475 4.955 4.480 -0.000 0.000 0.238 4326 M C 2.158 178.445 176.300 -0.022 0.000 1.582 4326 M CA 0.944 56.232 55.300 -0.020 0.000 1.223 4326 M CB -0.886 31.710 32.600 -0.006 0.000 1.238 4326 M HN 0.219 nan 8.290 nan 0.000 0.568 4327 L N 0.454 121.652 121.223 -0.041 0.000 2.130 4327 L HA 0.238 4.578 4.340 -0.000 0.000 0.200 4327 L C 0.268 177.094 176.870 -0.073 0.000 1.075 4327 L CA 1.123 55.935 54.840 -0.045 0.000 0.768 4327 L CB 0.366 42.395 42.059 -0.050 0.000 0.933 4327 L HN 0.075 nan 8.230 nan 0.000 0.451 4328 L N 0.549 121.721 121.223 -0.086 0.000 2.343 4328 L HA 0.252 4.592 4.340 -0.000 0.000 0.278 4328 L C 0.262 177.080 176.870 -0.086 0.000 0.996 4328 L CA -0.332 54.447 54.840 -0.100 0.000 0.831 4328 L CB 1.855 43.849 42.059 -0.109 0.000 1.232 4328 L HN 0.160 nan 8.230 nan 0.000 0.413 4329 L N 3.127 124.298 121.223 -0.086 0.000 2.509 4329 L HA 0.097 4.437 4.340 -0.000 0.000 0.222 4329 L C 0.543 177.370 176.870 -0.071 0.000 1.123 4329 L CA 0.688 55.485 54.840 -0.071 0.000 0.856 4329 L CB -0.189 41.831 42.059 -0.064 0.000 0.985 4329 L HN 0.627 nan 8.230 nan 0.000 0.456 4330 K N -2.050 118.300 120.400 -0.083 0.000 2.658 4330 K HA 0.302 4.622 4.320 -0.000 0.000 0.293 4330 K C -0.458 176.091 176.600 -0.085 0.000 1.026 4330 K CA -0.759 55.482 56.287 -0.077 0.000 0.871 4330 K CB 0.541 32.999 32.500 -0.069 0.000 1.524 4330 K HN -0.151 nan 8.250 nan 0.000 0.400 4331 T N -1.484 113.023 114.554 -0.078 0.000 2.939 4331 T HA 0.056 4.406 4.350 -0.000 0.000 0.319 4331 T C -1.761 172.887 174.700 -0.087 0.000 1.082 4331 T CA -0.477 61.574 62.100 -0.082 0.000 1.133 4331 T CB 0.212 69.035 68.868 -0.076 0.000 1.019 4331 T HN 0.362 nan 8.240 nan 0.000 0.548 4332 P HA -0.076 nan 4.420 nan 0.000 0.216 4332 P C 1.353 178.612 177.300 -0.069 0.000 1.150 4332 P CA 1.019 64.066 63.100 -0.088 0.000 0.837 4332 P CB 0.091 31.738 31.700 -0.088 0.000 0.786 4333 E N 0.091 120.251 120.200 -0.067 0.000 2.005 4333 E HA -0.208 4.142 4.350 -0.000 0.000 0.198 4333 E C 1.944 178.517 176.600 -0.045 0.000 1.010 4333 E CA 1.428 57.797 56.400 -0.052 0.000 0.825 4333 E CB -1.028 28.637 29.700 -0.058 0.000 0.769 4333 E HN 0.379 nan 8.360 nan 0.000 0.456 4334 E N 0.216 120.385 120.200 -0.052 0.000 2.171 4334 E HA -0.206 4.144 4.350 -0.000 0.000 0.197 4334 E C 2.145 178.711 176.600 -0.056 0.000 0.997 4334 E CA 0.811 57.182 56.400 -0.048 0.000 0.810 4334 E CB -0.194 29.475 29.700 -0.051 0.000 0.738 4334 E HN 0.217 nan 8.360 nan 0.000 0.467 4335 L N 0.868 122.046 121.223 -0.075 0.000 2.044 4335 L HA -0.191 4.149 4.340 -0.000 0.000 0.205 4335 L C 2.526 179.348 176.870 -0.081 0.000 1.075 4335 L CA 1.161 55.938 54.840 -0.105 0.000 0.747 4335 L CB -0.428 41.544 42.059 -0.145 0.000 0.903 4335 L HN 0.195 nan 8.230 nan 0.000 0.435 4336 Q N -0.016 119.758 119.800 -0.044 0.000 2.557 4336 Q HA -0.024 4.316 4.340 -0.000 0.000 0.217 4336 Q C 1.637 177.643 176.000 0.010 0.000 0.978 4336 Q CA 0.787 56.590 55.803 0.001 0.000 0.950 4336 Q CB -0.183 28.573 28.738 0.030 0.000 0.991 4336 Q HN 0.411 nan 8.270 nan 0.000 0.533 4337 A N 1.200 124.015 122.820 -0.008 0.000 2.178 4337 A HA -0.025 4.295 4.320 -0.000 0.000 0.211 4337 A C 0.811 178.399 177.584 0.006 0.000 1.157 4337 A CA 0.203 52.240 52.037 0.000 0.000 0.780 4337 A CB 0.030 19.025 19.000 -0.009 0.000 0.828 4337 A HN 0.449 nan 8.150 nan 0.000 0.476 4338 E N -0.158 120.043 120.200 0.001 0.000 2.290 4338 E HA 0.355 4.705 4.350 -0.000 0.000 0.277 4338 E C 0.176 176.812 176.600 0.059 0.000 1.035 4338 E CA 0.029 56.442 56.400 0.022 0.000 0.873 4338 E CB 0.608 30.306 29.700 -0.003 0.000 1.029 4338 E HN 0.088 nan 8.360 nan 0.000 0.419 4339 R N 3.034 123.571 120.500 0.061 0.000 2.596 4339 R HA 0.313 4.653 4.340 -0.000 0.000 0.369 4339 R C -0.596 175.744 176.300 0.066 0.000 1.042 4339 R CA -0.048 56.087 56.100 0.058 0.000 1.120 4339 R CB 0.195 30.514 30.300 0.032 0.000 1.353 4339 R HN 0.544 nan 8.270 nan 0.000 0.564 4340 N N -0.981 117.778 118.700 0.098 0.000 2.299 4340 N HA 0.127 4.867 4.740 -0.000 0.000 0.246 4340 N C -0.999 174.596 175.510 0.142 0.000 1.254 4340 N CA -0.215 52.886 53.050 0.085 0.000 0.879 4340 N CB 0.567 39.090 38.487 0.061 0.000 1.214 4340 N HN -0.003 nan 8.380 nan 0.000 0.510 4341 F N 1.141 121.099 119.950 0.013 0.000 2.411 4341 F HA 0.343 4.870 4.527 0.000 0.000 0.324 4341 F C 0.756 176.600 175.800 0.073 0.000 1.086 4341 F CA -1.128 56.892 58.000 0.034 0.000 1.028 4341 F CB 0.736 39.754 39.000 0.029 0.000 1.284 4341 F HN 0.056 nan 8.300 nan 0.000 0.501 4342 H N 1.658 119.991 119.070 -1.228 0.000 2.929 4342 H HA 0.283 4.839 4.556 -0.000 0.000 0.317 4342 H C -0.653 174.348 175.328 -0.545 0.000 1.031 4342 H CA 0.003 55.549 56.048 -0.837 0.000 1.466 4342 H CB 0.450 29.657 29.762 -0.926 0.000 1.482 4342 H HN 0.705 nan 8.280 nan 0.000 0.561 4343 T N 2.425 116.872 114.554 -0.178 0.000 2.908 4343 T HA 0.536 4.886 4.350 -0.000 0.000 0.290 4343 T C -0.148 174.426 174.700 -0.210 0.000 1.034 4343 T CA -0.700 61.316 62.100 -0.140 0.000 1.010 4343 T CB 1.766 70.588 68.868 -0.078 0.000 1.068 4343 T HN 0.469 nan 8.240 nan 0.000 0.481 4344 V N -2.205 117.674 119.914 -0.059 0.000 3.159 4344 V HA 0.787 4.907 4.120 -0.000 0.000 0.308 4344 V C -3.305 172.910 176.094 0.202 0.000 1.190 4344 V CA -3.321 58.942 62.300 -0.062 0.000 1.037 4344 V CB 1.489 33.145 31.823 -0.279 0.000 1.060 4344 V HN 0.682 nan 8.190 nan 0.000 0.437 4345 P HA 0.158 nan 4.420 nan 0.000 0.263 4345 P C -1.483 176.137 177.300 0.534 0.000 1.195 4345 P CA 0.729 64.011 63.100 0.304 0.000 0.762 4345 P CB -0.242 31.449 31.700 -0.014 0.000 0.799 4346 Y N 3.968 124.488 120.300 0.367 0.000 2.329 4346 Y HA 0.472 5.022 4.550 -0.000 0.000 0.328 4346 Y C -0.568 175.339 175.900 0.011 0.000 0.992 4346 Y CA -1.456 56.688 58.100 0.073 0.000 1.151 4346 Y CB 1.321 39.390 38.460 -0.651 0.000 1.150 4346 Y HN 0.211 nan 8.280 nan 0.000 0.450 4347 M N 7.920 127.488 119.600 -0.053 0.000 2.129 4347 M HA 0.521 5.001 4.480 -0.000 0.000 0.348 4347 M C -2.075 173.980 176.300 -0.408 0.000 1.116 4347 M CA -0.635 54.418 55.300 -0.412 0.000 1.022 4347 M CB 0.701 32.733 32.600 -0.947 0.000 1.599 4347 M HN 0.438 nan 8.290 nan 0.000 0.449 4348 V N 5.026 124.669 119.914 -0.452 0.000 2.407 4348 V HA 0.820 4.940 4.120 -0.000 0.000 0.291 4348 V C 0.272 176.101 176.094 -0.442 0.000 1.018 4348 V CA -0.575 61.438 62.300 -0.478 0.000 0.842 4348 V CB 1.256 32.694 31.823 -0.642 0.000 0.996 4348 V HN 1.005 nan 8.190 nan 0.000 0.426 4349 G N 4.097 112.570 108.800 -0.545 0.000 2.658 4349 G HA2 0.918 4.878 3.960 -0.000 0.000 0.292 4349 G HA3 0.918 4.878 3.960 -0.000 0.000 0.292 4349 G C -1.148 173.369 174.900 -0.638 0.000 1.320 4349 G CA -0.703 43.675 45.100 -1.204 0.000 0.933 4349 G HN 0.902 nan 8.290 nan 0.000 0.476 4350 I N -2.673 117.596 120.570 -0.503 0.000 3.264 4350 I HA 0.600 4.770 4.170 -0.000 0.000 0.315 4350 I C -1.048 175.107 176.117 0.063 0.000 1.154 4350 I CA -1.393 59.836 61.300 -0.118 0.000 0.962 4350 I CB 2.369 40.336 38.000 -0.056 0.000 1.265 4350 I HN 0.441 nan 8.210 nan 0.000 0.463 4351 N N 1.167 119.940 118.700 0.121 0.000 2.472 4351 N HA 0.258 4.998 4.740 -0.000 0.000 0.289 4351 N C 0.057 175.673 175.510 0.176 0.000 1.156 4351 N CA -0.817 52.376 53.050 0.239 0.000 0.940 4351 N CB 1.949 40.586 38.487 0.250 0.000 1.200 4351 N HN 0.524 nan 8.380 nan 0.000 0.511 4352 K N 0.695 121.215 120.400 0.199 0.000 2.113 4352 K HA -0.144 4.176 4.320 -0.000 0.000 0.208 4352 K C 0.105 176.785 176.600 0.133 0.000 1.047 4352 K CA 1.841 58.214 56.287 0.143 0.000 0.928 4352 K CB 0.137 32.709 32.500 0.119 0.000 0.716 4352 K HN 0.516 nan 8.250 nan 0.000 0.446 4353 Q N -0.202 119.686 119.800 0.148 0.000 3.048 4353 Q HA 0.106 4.446 4.340 -0.000 0.000 0.337 4353 Q C -0.316 175.772 176.000 0.146 0.000 0.845 4353 Q CA -0.288 55.603 55.803 0.147 0.000 0.942 4353 Q CB 1.315 30.139 28.738 0.144 0.000 1.454 4353 Q HN 0.114 nan 8.270 nan 0.000 0.392 4354 E N -0.015 120.245 120.200 0.101 0.000 2.187 4354 E HA -0.205 4.145 4.350 -0.000 0.000 0.199 4354 E C 0.393 177.030 176.600 0.061 0.000 1.004 4354 E CA 1.348 57.734 56.400 -0.023 0.000 0.813 4354 E CB 0.138 29.678 29.700 -0.265 0.000 0.736 4354 E HN 0.456 nan 8.360 nan 0.000 0.468 4355 F N 0.087 120.025 119.950 -0.020 0.000 2.772 4355 F HA 0.279 4.806 4.527 0.000 0.000 0.302 4355 F C 1.628 177.438 175.800 0.017 0.000 1.136 4355 F CA -0.245 57.733 58.000 -0.036 0.000 1.322 4355 F CB 0.412 39.369 39.000 -0.071 0.000 0.967 4355 F HN -0.079 nan 8.300 nan 0.000 0.513 4356 G N 0.796 109.658 108.800 0.104 0.000 2.604 4356 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.216 4356 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.216 4356 G C 1.031 176.014 174.900 0.137 0.000 1.265 4356 G CA 1.486 46.668 45.100 0.137 0.000 0.804 4356 G HN 0.593 nan 8.290 nan 0.000 0.579 4357 W N -0.706 120.551 121.300 -0.072 0.000 4.332 4357 W HA 0.375 5.035 4.660 0.000 0.000 0.205 4357 W C 2.002 178.451 176.519 -0.116 0.000 0.907 4357 W CA 0.283 57.579 57.345 -0.081 0.000 2.184 4357 W CB -0.643 28.813 29.460 -0.007 0.000 0.933 4357 W HN 0.137 nan 8.180 nan 0.000 0.867 4358 L N 2.043 123.217 121.223 -0.081 0.000 2.012 4358 L HA -0.331 4.009 4.340 -0.000 0.000 0.236 4358 L C 2.245 178.855 176.870 -0.433 0.000 1.099 4358 L CA 3.254 57.908 54.840 -0.310 0.000 0.821 4358 L CB -1.345 40.817 42.059 0.172 0.000 0.918 4358 L HN 0.244 nan 8.230 nan 0.000 0.445 4359 I N -0.831 119.534 120.570 -0.340 0.000 2.099 4359 I HA -0.259 3.911 4.170 -0.000 0.000 0.239 4359 I C -0.256 175.564 176.117 -0.495 0.000 1.066 4359 I CA 1.776 62.855 61.300 -0.369 0.000 1.324 4359 I CB -1.878 35.918 38.000 -0.340 0.000 1.037 4359 I HN 0.319 nan 8.210 nan 0.000 0.401 4360 P HA -0.184 nan 4.420 nan 0.000 0.216 4360 P C 1.144 178.293 177.300 -0.251 0.000 1.153 4360 P CA 1.235 63.962 63.100 -0.622 0.000 0.858 4360 P CB -0.095 31.142 31.700 -0.773 0.000 0.789 4364 M N -0.160 119.433 119.600 -0.012 0.000 2.431 4364 M HA 0.208 4.688 4.480 -0.000 0.000 0.237 4364 M C 0.447 176.806 176.300 0.097 0.000 1.130 4364 M CA 0.192 55.550 55.300 0.097 0.000 1.002 4364 M CB 0.599 33.347 32.600 0.247 0.000 1.524 4364 M HN 0.205 nan 8.290 nan 0.000 0.482 4365 S N 0.256 115.990 115.700 0.058 0.000 3.783 4365 S HA -0.179 4.291 4.470 -0.000 0.000 0.360 4365 S C -0.463 174.172 174.600 0.058 0.000 1.006 4365 S CA 0.308 58.532 58.200 0.039 0.000 1.115 4365 S CB -2.049 61.151 63.200 0.000 0.000 0.893 4365 S HN 0.456 nan 8.310 nan 0.000 0.475 4366 Y N 1.282 121.587 120.300 0.008 0.000 2.442 4366 Y HA 0.301 4.851 4.550 -0.000 0.000 0.330 4366 Y C -1.786 174.141 175.900 0.046 0.000 1.129 4366 Y CA -1.377 56.759 58.100 0.060 0.000 1.365 4366 Y CB 0.333 38.859 38.460 0.110 0.000 1.233 4366 Y HN 0.074 nan 8.280 nan 0.000 0.529 4367 P HA 0.164 nan 4.420 nan 0.000 0.256 4367 P C -0.390 176.971 177.300 0.101 0.000 1.688 4367 P CA 0.575 63.711 63.100 0.061 0.000 1.162 4367 P CB -0.100 31.604 31.700 0.007 0.000 1.870 4368 L N 0.912 122.207 121.223 0.120 0.000 3.439 4368 L HA 0.069 4.409 4.340 -0.000 0.000 0.313 4368 L C 1.634 178.560 176.870 0.093 0.000 1.292 4368 L CA 0.103 55.012 54.840 0.115 0.000 1.020 4368 L CB 0.200 42.358 42.059 0.165 0.000 1.424 4368 L HN 0.160 nan 8.230 nan 0.000 0.612 4369 S N -1.165 114.581 115.700 0.077 0.000 2.440 4369 S HA -0.142 4.328 4.470 -0.000 0.000 0.238 4369 S C 1.526 176.160 174.600 0.057 0.000 1.010 4369 S CA 0.867 59.108 58.200 0.068 0.000 0.972 4369 S CB -0.016 63.218 63.200 0.056 0.000 0.774 4369 S HN 0.383 nan 8.310 nan 0.000 0.501 4370 E N 1.492 121.722 120.200 0.050 0.000 2.072 4370 E HA 0.023 4.373 4.350 -0.000 0.000 0.191 4370 E C 1.754 178.381 176.600 0.046 0.000 0.985 4370 E CA 0.976 57.400 56.400 0.040 0.000 0.801 4370 E CB -0.842 28.877 29.700 0.031 0.000 0.750 4370 E HN 0.774 nan 8.360 nan 0.000 0.452 4371 G N 1.509 110.344 108.800 0.058 0.000 2.141 4371 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.242 4371 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.242 4371 G C 0.200 175.135 174.900 0.059 0.000 0.982 4371 G CA 0.755 45.894 45.100 0.065 0.000 0.662 4371 G HN 0.322 nan 8.290 nan 0.000 0.527 4372 Q N -0.812 119.017 119.800 0.048 0.000 2.615 4372 Q HA 0.877 5.217 4.340 -0.000 0.000 0.298 4372 Q C -2.086 173.930 176.000 0.026 0.000 1.023 4372 Q CA -1.127 54.701 55.803 0.041 0.000 0.768 4372 Q CB 1.846 30.604 28.738 0.033 0.000 1.500 4372 Q HN 0.771 nan 8.270 nan 0.000 0.441 4373 L N 2.498 123.733 121.223 0.021 0.000 2.666 4373 L HA 0.327 4.667 4.340 -0.000 0.000 0.259 4373 L C -1.166 175.707 176.870 0.006 0.000 0.919 4373 L CA -0.165 54.670 54.840 -0.009 0.000 0.927 4373 L CB 1.784 43.812 42.059 -0.050 0.000 1.423 4373 L HN 0.915 nan 8.230 nan 0.000 0.426 4374 D N 2.599 122.998 120.400 -0.002 0.000 2.506 4374 D HA 0.186 4.826 4.640 -0.000 0.000 0.272 4374 D C 0.152 176.463 176.300 0.017 0.000 1.214 4374 D CA -0.377 53.631 54.000 0.014 0.000 1.067 4374 D CB 0.899 41.706 40.800 0.012 0.000 1.117 4374 D HN 0.479 nan 8.370 nan 0.000 0.578 4375 Q N 0.063 119.882 119.800 0.032 0.000 2.020 4375 Q HA -0.128 4.212 4.340 -0.000 0.000 0.202 4375 Q C 2.067 178.092 176.000 0.042 0.000 0.982 4375 Q CA 1.474 57.305 55.803 0.048 0.000 0.838 4375 Q CB -0.232 28.534 28.738 0.048 0.000 0.899 4375 Q HN 0.521 nan 8.270 nan 0.000 0.423 4376 K N -0.152 120.265 120.400 0.028 0.000 2.063 4376 K HA -0.103 4.217 4.320 -0.000 0.000 0.208 4376 K C 2.195 178.806 176.600 0.019 0.000 1.048 4376 K CA 1.656 57.959 56.287 0.026 0.000 0.928 4376 K CB -0.206 32.304 32.500 0.017 0.000 0.713 4376 K HN 0.158 nan 8.250 nan 0.000 0.442 4377 T N 1.034 115.586 114.554 -0.004 0.000 2.821 4377 T HA -0.110 4.240 4.350 -0.000 0.000 0.267 4377 T C 1.995 176.645 174.700 -0.082 0.000 1.046 4377 T CA 1.262 63.343 62.100 -0.032 0.000 1.139 4377 T CB -0.200 68.640 68.868 -0.047 0.000 0.871 4377 T HN 0.339 nan 8.240 nan 0.000 0.454 4378 A N 1.493 124.254 122.820 -0.098 0.000 1.877 4378 A HA -0.041 4.279 4.320 -0.000 0.000 0.216 4378 A C 2.344 179.976 177.584 0.080 0.000 1.186 4378 A CA 1.439 53.370 52.037 -0.177 0.000 0.620 4378 A CB -0.643 18.355 19.000 -0.003 0.000 0.822 4378 A HN 0.433 nan 8.150 nan 0.000 0.443 4379 M N -0.953 118.722 119.600 0.126 0.000 2.086 4379 M HA -0.138 4.342 4.480 -0.000 0.000 0.261 4379 M C 2.588 179.012 176.300 0.205 0.000 1.067 4379 M CA 1.817 57.228 55.300 0.184 0.000 1.116 4379 M CB -0.457 32.217 32.600 0.122 0.000 1.348 4379 M HN 0.526 nan 8.290 nan 0.000 0.407 4380 S N 0.837 116.619 115.700 0.136 0.000 2.359 4380 S HA -0.140 4.330 4.470 -0.000 0.000 0.224 4380 S C 1.863 176.589 174.600 0.209 0.000 1.035 4380 S CA 1.177 59.473 58.200 0.159 0.000 1.018 4380 S CB -0.305 62.947 63.200 0.087 0.000 0.876 4380 S HN 0.425 nan 8.310 nan 0.000 0.448 4381 L N 0.468 121.770 121.223 0.131 0.000 2.083 4381 L HA -0.080 4.260 4.340 -0.000 0.000 0.209 4381 L C 2.422 179.518 176.870 0.376 0.000 1.083 4381 L CA 1.063 55.998 54.840 0.157 0.000 0.752 4381 L CB -0.361 41.654 42.059 -0.072 0.000 0.899 4381 L HN 0.381 nan 8.230 nan 0.000 0.433 4382 L N -0.713 120.797 121.223 0.478 0.000 2.083 4382 L HA -0.276 4.064 4.340 -0.000 0.000 0.209 4382 L C 2.129 179.243 176.870 0.405 0.000 1.083 4382 L CA 1.775 56.908 54.840 0.489 0.000 0.752 4382 L CB -0.725 41.610 42.059 0.459 0.000 0.899 4382 L HN 0.389 nan 8.230 nan 0.000 0.433 4383 W N 0.289 121.711 121.300 0.204 0.000 2.379 4383 W HA -0.219 4.441 4.660 -0.000 0.000 0.307 4383 W C 2.059 178.686 176.519 0.180 0.000 1.200 4383 W CA 0.963 58.417 57.345 0.181 0.000 1.297 4383 W CB 0.057 29.581 29.460 0.106 0.000 1.140 4383 W HN 0.042 nan 8.180 nan 0.000 0.507 4384 K N 0.598 121.048 120.400 0.083 0.000 2.211 4384 K HA -0.107 4.213 4.320 -0.000 0.000 0.204 4384 K C 1.761 178.332 176.600 -0.048 0.000 1.047 4384 K CA 1.365 57.613 56.287 -0.065 0.000 0.935 4384 K CB -0.832 31.667 32.500 -0.003 0.000 0.728 4384 K HN 0.051 nan 8.250 nan 0.000 0.452 4385 S N 0.784 116.529 115.700 0.075 0.000 2.607 4385 S HA -0.043 4.427 4.470 -0.000 0.000 0.224 4385 S C 1.282 175.877 174.600 -0.008 0.000 0.969 4385 S CA -0.167 58.094 58.200 0.100 0.000 0.927 4385 S CB -0.353 62.969 63.200 0.203 0.000 0.772 4385 S HN 0.279 nan 8.310 nan 0.000 0.533 4386 Y N 3.895 124.069 120.300 -0.209 0.000 2.062 4386 Y HA -0.212 4.338 4.550 0.000 0.000 0.276 4386 Y C -0.691 175.090 175.900 -0.198 0.000 1.189 4386 Y CA 2.115 60.048 58.100 -0.279 0.000 1.130 4386 Y CB -1.240 36.848 38.460 -0.620 0.000 0.959 4386 Y HN 0.258 nan 8.280 nan 0.000 0.499 4387 P HA -0.184 nan 4.420 nan 0.000 0.221 4387 P C 1.336 178.534 177.300 -0.170 0.000 1.145 4387 P CA 1.749 64.787 63.100 -0.104 0.000 0.795 4387 P CB -0.127 31.562 31.700 -0.019 0.000 0.775 4388 L N -0.879 120.242 121.223 -0.169 0.000 2.253 4388 L HA 0.035 4.375 4.340 -0.000 0.000 0.205 4388 L C 2.233 178.926 176.870 -0.297 0.000 1.078 4388 L CA 0.829 55.556 54.840 -0.189 0.000 0.805 4388 L CB -0.190 41.803 42.059 -0.110 0.000 0.963 4388 L HN -0.126 nan 8.230 nan 0.000 0.459 4389 V N -6.691 113.029 119.914 -0.324 0.000 3.432 4389 V HA 0.172 4.292 4.120 -0.000 0.000 0.298 4389 V C 1.137 177.025 176.094 -0.342 0.000 1.464 4389 V CA -0.626 61.471 62.300 -0.338 0.000 1.046 4389 V CB -0.284 31.354 31.823 -0.307 0.000 0.887 4389 V HN 0.388 nan 8.190 nan 0.000 0.441 4390 C N 1.643 120.580 119.300 -0.605 0.000 3.989 4390 C HA -0.199 4.261 4.460 -0.000 0.000 0.297 4390 C C 0.763 175.586 174.990 -0.279 0.000 1.435 4390 C CA 0.573 59.077 59.018 -0.857 0.000 2.040 4390 C CB -2.573 24.815 27.740 -0.586 0.000 1.308 4390 C HN 0.686 nan 8.230 nan 0.000 0.704 4391 I N 1.645 122.214 120.570 -0.001 0.000 2.291 4391 I HA 0.346 4.516 4.170 -0.000 0.000 0.292 4391 I C 1.113 177.583 176.117 0.588 0.000 1.064 4391 I CA 0.088 61.622 61.300 0.390 0.000 1.269 4391 I CB 0.621 38.828 38.000 0.345 0.000 1.418 4391 I HN 0.514 nan 8.210 nan 0.000 0.485 4392 A N 6.316 129.481 122.820 0.575 0.000 2.587 4392 A HA -0.067 4.253 4.320 -0.000 0.000 0.235 4392 A C 1.623 179.475 177.584 0.446 0.000 1.044 4392 A CA 0.208 52.585 52.037 0.567 0.000 0.754 4392 A CB 0.130 19.341 19.000 0.351 0.000 0.968 4392 A HN 0.911 nan 8.150 nan 0.000 0.509 4393 K N 1.173 121.781 120.400 0.346 0.000 2.089 4393 K HA -0.261 4.059 4.320 -0.000 0.000 0.210 4393 K C 1.819 178.398 176.600 -0.036 0.000 1.048 4393 K CA 2.329 58.537 56.287 -0.131 0.000 0.926 4393 K CB -0.145 31.866 32.500 -0.816 0.000 0.714 4393 K HN 0.946 nan 8.250 nan 0.000 0.448 4394 E N 0.164 120.367 120.200 0.005 0.000 2.333 4394 E HA -0.184 4.166 4.350 -0.000 0.000 0.198 4394 E C 1.513 178.140 176.600 0.046 0.000 1.007 4394 E CA 0.968 57.374 56.400 0.010 0.000 0.845 4394 E CB -0.115 29.595 29.700 0.017 0.000 0.766 4394 E HN 0.383 nan 8.360 nan 0.000 0.507 4395 L N 0.353 121.635 121.223 0.098 0.000 2.616 4395 L HA 0.113 4.453 4.340 -0.000 0.000 0.229 4395 L C 2.017 178.956 176.870 0.116 0.000 1.110 4395 L CA -0.390 54.501 54.840 0.086 0.000 0.884 4395 L CB -0.046 42.065 42.059 0.088 0.000 1.115 4395 L HN 0.103 nan 8.230 nan 0.000 0.481 4396 I N 1.202 121.866 120.570 0.156 0.000 2.151 4396 I HA -0.183 3.987 4.170 -0.000 0.000 0.243 4396 I C 0.016 176.222 176.117 0.148 0.000 1.080 4396 I CA 1.958 63.372 61.300 0.190 0.000 1.339 4396 I CB -2.158 35.967 38.000 0.209 0.000 1.039 4396 I HN 0.171 nan 8.210 nan 0.000 0.409 4397 P HA -0.187 nan 4.420 nan 0.000 0.215 4397 P C 1.730 179.084 177.300 0.089 0.000 1.157 4397 P CA 1.455 64.604 63.100 0.081 0.000 0.868 4397 P CB -0.044 31.684 31.700 0.047 0.000 0.788 4398 E N -0.541 119.707 120.200 0.080 0.000 2.085 4398 E HA -0.231 4.119 4.350 -0.000 0.000 0.194 4398 E C 1.903 178.597 176.600 0.157 0.000 0.994 4398 E CA 1.348 57.803 56.400 0.092 0.000 0.801 4398 E CB -0.474 29.258 29.700 0.054 0.000 0.743 4398 E HN 0.073 nan 8.360 nan 0.000 0.453 4399 A N 0.148 123.068 122.820 0.167 0.000 1.855 4399 A HA -0.148 4.172 4.320 -0.000 0.000 0.215 4399 A C 2.392 180.089 177.584 0.188 0.000 1.191 4399 A CA 1.971 54.131 52.037 0.204 0.000 0.613 4399 A CB -0.954 18.189 19.000 0.239 0.000 0.829 4399 A HN 0.324 nan 8.150 nan 0.000 0.442 4400 T N -0.118 114.547 114.554 0.185 0.000 2.684 4400 T HA -0.175 4.175 4.350 -0.000 0.000 0.267 4400 T C 1.905 176.699 174.700 0.157 0.000 1.036 4400 T CA 1.812 64.029 62.100 0.196 0.000 1.148 4400 T CB -0.309 68.673 68.868 0.190 0.000 0.863 4400 T HN 0.634 nan 8.240 nan 0.000 0.436 4401 E N 1.448 121.711 120.200 0.105 0.000 2.118 4401 E HA -0.160 4.190 4.350 -0.000 0.000 0.195 4401 E C 2.057 178.663 176.600 0.011 0.000 0.992 4401 E CA 1.391 57.825 56.400 0.057 0.000 0.804 4401 E CB -0.254 29.470 29.700 0.041 0.000 0.741 4401 E HN 0.260 nan 8.360 nan 0.000 0.458 4402 K N -0.998 119.386 120.400 -0.027 0.000 2.147 4402 K HA -0.115 4.205 4.320 -0.000 0.000 0.205 4402 K C 1.533 177.999 176.600 -0.223 0.000 1.049 4402 K CA 1.439 57.587 56.287 -0.232 0.000 0.936 4402 K CB -0.436 31.693 32.500 -0.619 0.000 0.722 4402 K HN 0.279 nan 8.250 nan 0.000 0.446 4403 Y N -0.702 119.502 120.300 -0.160 0.000 2.441 4403 Y HA 0.213 4.763 4.550 -0.000 0.000 0.288 4403 Y C 1.621 177.520 175.900 -0.002 0.000 1.118 4403 Y CA 0.635 58.692 58.100 -0.072 0.000 1.215 4403 Y CB 0.398 38.862 38.460 0.007 0.000 1.118 4403 Y HN -0.107 nan 8.280 nan 0.000 0.547 4404 L N -1.994 119.338 121.223 0.182 0.000 2.463 4404 L HA 0.230 4.570 4.340 -0.000 0.000 0.219 4404 L C 2.113 179.025 176.870 0.070 0.000 1.088 4404 L CA 0.698 55.619 54.840 0.136 0.000 0.849 4404 L CB -0.643 41.515 42.059 0.165 0.000 1.012 4404 L HN 0.167 nan 8.230 nan 0.000 0.468 4405 G N 0.267 109.093 108.800 0.044 0.000 2.843 4405 G HA2 -0.025 3.935 3.960 -0.000 0.000 0.205 4405 G HA3 -0.025 3.935 3.960 -0.000 0.000 0.205 4405 G C 1.299 176.199 174.900 0.000 0.000 1.160 4405 G CA 0.639 45.750 45.100 0.019 0.000 0.819 4405 G HN 0.458 nan 8.290 nan 0.000 0.516 4406 G N -0.292 108.508 108.800 -0.000 0.000 2.441 4406 G HA2 0.268 4.228 3.960 -0.000 0.000 0.212 4406 G HA3 0.268 4.228 3.960 -0.000 0.000 0.212 4406 G C 0.889 175.790 174.900 0.002 0.000 1.164 4406 G CA 1.151 46.244 45.100 -0.013 0.000 0.811 4406 G HN 0.653 nan 8.290 nan 0.000 0.535 4407 T N -3.122 111.443 114.554 0.018 0.000 2.907 4407 T HA 0.513 4.863 4.350 -0.000 0.000 0.290 4407 T C -0.355 174.361 174.700 0.027 0.000 1.066 4407 T CA -0.630 61.483 62.100 0.021 0.000 1.012 4407 T CB 2.445 71.329 68.868 0.027 0.000 1.184 4407 T HN -0.129 nan 8.240 nan 0.000 0.522 4408 D N -0.258 120.156 120.400 0.023 0.000 2.369 4408 D HA 0.065 4.705 4.640 -0.000 0.000 0.211 4408 D C -0.081 176.235 176.300 0.027 0.000 1.077 4408 D CA 0.045 54.059 54.000 0.024 0.000 0.842 4408 D CB 0.312 41.122 40.800 0.017 0.000 0.947 4408 D HN 0.620 nan 8.370 nan 0.000 0.509 4409 D N 1.881 122.299 120.400 0.030 0.000 2.346 4409 D HA -0.039 4.601 4.640 -0.000 0.000 0.260 4409 D C 1.538 177.864 176.300 0.042 0.000 1.252 4409 D CA 0.202 54.222 54.000 0.033 0.000 0.895 4409 D CB 1.223 42.042 40.800 0.033 0.000 1.097 4409 D HN 0.011 nan 8.370 nan 0.000 0.489 4410 T N 0.624 115.201 114.554 0.038 0.000 2.881 4410 T HA -0.125 4.225 4.350 -0.000 0.000 0.270 4410 T C 1.922 176.654 174.700 0.054 0.000 1.068 4410 T CA 0.794 62.919 62.100 0.042 0.000 1.131 4410 T CB -0.138 68.749 68.868 0.032 0.000 0.871 4410 T HN 0.227 nan 8.240 nan 0.000 0.479 4411 V N 1.422 121.367 119.914 0.052 0.000 2.379 4411 V HA -0.059 4.061 4.120 -0.000 0.000 0.245 4411 V C 2.820 178.961 176.094 0.078 0.000 1.044 4411 V CA 1.501 63.838 62.300 0.061 0.000 1.036 4411 V CB -0.452 31.401 31.823 0.050 0.000 0.664 4411 V HN 0.488 nan 8.190 nan 0.000 0.453 4412 K N 0.118 120.560 120.400 0.071 0.000 2.057 4412 K HA -0.152 4.168 4.320 -0.000 0.000 0.206 4412 K C 2.249 178.915 176.600 0.110 0.000 1.050 4412 K CA 1.211 57.547 56.287 0.081 0.000 0.935 4412 K CB -0.221 32.316 32.500 0.062 0.000 0.715 4412 K HN 0.372 nan 8.250 nan 0.000 0.439 4413 K N 1.158 121.621 120.400 0.105 0.000 2.113 4413 K HA -0.192 4.128 4.320 -0.000 0.000 0.208 4413 K C 2.189 178.902 176.600 0.188 0.000 1.047 4413 K CA 1.251 57.619 56.287 0.135 0.000 0.928 4413 K CB -0.030 32.532 32.500 0.103 0.000 0.716 4413 K HN 0.083 nan 8.250 nan 0.000 0.446 4414 K N 1.141 121.635 120.400 0.156 0.000 2.001 4414 K HA -0.178 4.142 4.320 -0.000 0.000 0.208 4414 K C 1.401 178.155 176.600 0.257 0.000 1.048 4414 K CA 1.771 58.174 56.287 0.193 0.000 0.932 4414 K CB -0.003 32.576 32.500 0.132 0.000 0.715 4414 K HN 0.068 nan 8.250 nan 0.000 0.437 4415 D N 1.093 121.609 120.400 0.193 0.000 2.144 4415 D HA -0.149 4.491 4.640 -0.000 0.000 0.199 4415 D C 2.052 178.479 176.300 0.211 0.000 0.984 4415 D CA 0.890 55.003 54.000 0.187 0.000 0.834 4415 D CB -0.071 40.811 40.800 0.137 0.000 0.955 4415 D HN 0.258 nan 8.370 nan 0.000 0.465 4416 L N -0.228 121.128 121.223 0.220 0.000 2.141 4416 L HA -0.121 4.219 4.340 -0.000 0.000 0.209 4416 L C 2.295 179.339 176.870 0.290 0.000 1.094 4416 L CA 0.434 55.427 54.840 0.256 0.000 0.763 4416 L CB -0.297 41.901 42.059 0.232 0.000 0.908 4416 L HN -0.042 nan 8.230 nan 0.000 0.437 4417 F N 0.566 120.603 119.950 0.145 0.000 2.186 4417 F HA -0.159 4.368 4.527 -0.000 0.000 0.299 4417 F C 2.052 177.891 175.800 0.065 0.000 1.090 4417 F CA 1.360 59.419 58.000 0.099 0.000 1.307 4417 F CB -0.047 39.020 39.000 0.112 0.000 1.019 4417 F HN -0.110 nan 8.300 nan 0.000 0.489 4418 L N -0.432 120.885 121.223 0.157 0.000 2.156 4418 L HA -0.145 4.195 4.340 -0.000 0.000 0.208 4418 L C 2.018 178.913 176.870 0.040 0.000 1.095 4418 L CA 0.919 55.838 54.840 0.131 0.000 0.770 4418 L CB -0.741 41.489 42.059 0.284 0.000 0.914 4418 L HN 0.030 nan 8.230 nan 0.000 0.439 4419 D N 0.148 120.606 120.400 0.097 0.000 2.144 4419 D HA -0.150 4.490 4.640 -0.000 0.000 0.200 4419 D C 2.170 178.498 176.300 0.047 0.000 0.978 4419 D CA 0.796 54.888 54.000 0.154 0.000 0.833 4419 D CB -0.005 40.967 40.800 0.285 0.000 0.961 4419 D HN 0.094 nan 8.370 nan 0.000 0.470 4420 L N 1.395 122.489 121.223 -0.214 0.000 2.013 4420 L HA -0.169 4.171 4.340 -0.000 0.000 0.212 4420 L C 2.117 178.657 176.870 -0.549 0.000 1.073 4420 L CA 1.545 55.943 54.840 -0.738 0.000 0.753 4420 L CB -1.015 40.567 42.059 -0.795 0.000 0.890 4420 L HN 0.028 nan 8.230 nan 0.000 0.432 4421 I N -0.180 120.032 120.570 -0.596 0.000 2.353 4421 I HA -0.199 3.971 4.170 -0.000 0.000 0.248 4421 I C 2.698 178.557 176.117 -0.430 0.000 1.119 4421 I CA 0.917 61.812 61.300 -0.675 0.000 1.417 4421 I CB -0.519 36.797 38.000 -1.141 0.000 1.078 4421 I HN 0.279 nan 8.210 nan 0.000 0.421 4422 A N 0.708 123.423 122.820 -0.175 0.000 1.933 4422 A HA -0.234 4.086 4.320 -0.000 0.000 0.218 4422 A C 1.905 179.538 177.584 0.081 0.000 1.175 4422 A CA 2.050 54.161 52.037 0.123 0.000 0.628 4422 A CB -0.542 18.562 19.000 0.174 0.000 0.814 4422 A HN 0.318 nan 8.150 nan 0.000 0.444 4423 D N -0.362 120.020 120.400 -0.030 0.000 2.097 4423 D HA -0.097 4.543 4.640 -0.000 0.000 0.195 4423 D C 2.001 178.136 176.300 -0.276 0.000 0.989 4423 D CA 1.467 55.443 54.000 -0.040 0.000 0.827 4423 D CB -0.437 40.444 40.800 0.135 0.000 0.966 4423 D HN 0.198 nan 8.370 nan 0.000 0.456 4424 V N 0.465 120.052 119.914 -0.545 0.000 2.515 4424 V HA -0.161 3.959 4.120 -0.000 0.000 0.250 4424 V C 2.261 178.064 176.094 -0.484 0.000 1.058 4424 V CA 1.221 63.107 62.300 -0.691 0.000 1.064 4424 V CB -0.274 31.028 31.823 -0.867 0.000 0.675 4424 V HN 0.207 nan 8.190 nan 0.000 0.461 4425 M N -2.154 117.159 119.600 -0.478 0.000 2.357 4425 M HA 0.127 4.607 4.480 -0.000 0.000 0.266 4425 M C 1.635 177.402 176.300 -0.889 0.000 1.095 4425 M CA 1.783 56.649 55.300 -0.723 0.000 1.156 4425 M CB 0.096 32.150 32.600 -0.909 0.000 1.365 4425 M HN 0.338 nan 8.290 nan 0.000 0.447 4426 F N -1.770 118.104 119.950 -0.128 0.000 2.463 4426 F HA 0.360 4.887 4.527 0.000 0.000 0.271 4426 F C 2.351 178.103 175.800 -0.080 0.000 0.888 4426 F CA 0.241 58.197 58.000 -0.074 0.000 1.149 4426 F CB -1.266 37.726 39.000 -0.013 0.000 1.071 4426 F HN 0.012 nan 8.300 nan 0.000 0.802 4427 G N 1.060 109.946 108.800 0.144 0.000 2.586 4427 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.218 4427 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.218 4427 G C 1.710 176.616 174.900 0.010 0.000 1.216 4427 G CA 1.928 47.062 45.100 0.055 0.000 0.786 4427 G HN 0.171 nan 8.290 nan 0.000 0.583 4428 V N 2.273 122.187 119.914 -0.000 0.000 2.255 4428 V HA -0.132 3.988 4.120 -0.000 0.000 0.247 4428 V C 0.515 176.597 176.094 -0.020 0.000 1.051 4428 V CA 2.471 64.780 62.300 0.015 0.000 1.018 4428 V CB -1.232 30.595 31.823 0.006 0.000 0.641 4428 V HN 0.300 nan 8.190 nan 0.000 0.445 4429 P HA -0.120 nan 4.420 nan 0.000 0.214 4429 P C 2.062 179.323 177.300 -0.065 0.000 1.163 4429 P CA 2.004 65.054 63.100 -0.083 0.000 0.889 4429 P CB -0.134 31.479 31.700 -0.144 0.000 0.790 4430 S N -0.759 114.903 115.700 -0.063 0.000 2.374 4430 S HA -0.131 4.339 4.470 -0.000 0.000 0.227 4430 S C 2.010 176.518 174.600 -0.154 0.000 1.037 4430 S CA 1.377 59.515 58.200 -0.104 0.000 1.024 4430 S CB -1.306 61.835 63.200 -0.098 0.000 0.861 4430 S HN -0.041 nan 8.310 nan 0.000 0.456 4431 V N 1.730 121.574 119.914 -0.117 0.000 2.453 4431 V HA -0.081 4.039 4.120 -0.000 0.000 0.247 4431 V C 1.994 178.067 176.094 -0.036 0.000 1.048 4431 V CA 1.248 63.479 62.300 -0.115 0.000 1.049 4431 V CB -0.583 31.216 31.823 -0.041 0.000 0.672 4431 V HN 0.449 nan 8.190 nan 0.000 0.457 4432 I N -0.622 119.946 120.570 -0.004 0.000 2.252 4432 I HA -0.193 3.977 4.170 -0.000 0.000 0.245 4432 I C 2.378 178.511 176.117 0.026 0.000 1.102 4432 I CA 1.058 62.377 61.300 0.031 0.000 1.385 4432 I CB -0.384 37.633 38.000 0.028 0.000 1.064 4432 I HN 0.141 nan 8.210 nan 0.000 0.414 4433 V N 1.170 121.078 119.914 -0.010 0.000 2.233 4433 V HA -0.344 3.776 4.120 -0.000 0.000 0.247 4433 V C 2.787 178.895 176.094 0.024 0.000 1.050 4433 V CA 2.176 64.485 62.300 0.014 0.000 1.010 4433 V CB -1.070 30.744 31.823 -0.016 0.000 0.637 4433 V HN 0.509 nan 8.190 nan 0.000 0.444 4434 A N -0.162 122.592 122.820 -0.111 0.000 1.884 4434 A HA -0.316 4.004 4.320 -0.000 0.000 0.219 4434 A C 2.329 179.985 177.584 0.120 0.000 1.197 4434 A CA 2.432 54.377 52.037 -0.153 0.000 0.637 4434 A CB -0.650 18.002 19.000 -0.580 0.000 0.827 4434 A HN 0.535 nan 8.150 nan 0.000 0.450 4435 R N -0.674 119.937 120.500 0.184 0.000 2.094 4435 R HA -0.201 4.139 4.340 -0.000 0.000 0.239 4435 R C 2.131 178.537 176.300 0.176 0.000 1.137 4435 R CA 1.955 58.215 56.100 0.265 0.000 0.943 4435 R CB -0.534 29.886 30.300 0.200 0.000 0.850 4435 R HN 0.665 nan 8.270 nan 0.000 0.433 4436 N N -0.589 118.195 118.700 0.140 0.000 2.084 4436 N HA -0.187 4.553 4.740 -0.000 0.000 0.190 4436 N C 1.688 177.286 175.510 0.147 0.000 1.030 4436 N CA 1.434 54.557 53.050 0.120 0.000 0.849 4436 N CB -0.289 38.260 38.487 0.102 0.000 1.012 4436 N HN 0.292 nan 8.380 nan 0.000 0.423 4437 H N 0.899 120.039 119.070 0.116 0.000 2.352 4437 H HA -0.053 4.503 4.556 -0.000 0.000 0.299 4437 H C 2.227 177.632 175.328 0.129 0.000 1.097 4437 H CA 1.827 57.966 56.048 0.152 0.000 1.311 4437 H CB 0.046 29.940 29.762 0.221 0.000 1.377 4437 H HN 0.083 nan 8.280 nan 0.000 0.504 4438 R N 0.278 120.881 120.500 0.171 0.000 2.082 4438 R HA -0.142 4.198 4.340 -0.000 0.000 0.234 4438 R C 1.287 177.604 176.300 0.029 0.000 1.136 4438 R CA 2.099 58.266 56.100 0.110 0.000 0.935 4438 R CB -0.298 30.123 30.300 0.201 0.000 0.842 4438 R HN 0.385 nan 8.270 nan 0.000 0.430 4439 D N 0.327 120.756 120.400 0.048 0.000 2.351 4439 D HA -0.097 4.543 4.640 -0.000 0.000 0.216 4439 D C 1.295 177.596 176.300 0.003 0.000 0.968 4439 D CA 1.157 55.172 54.000 0.024 0.000 0.899 4439 D CB -0.027 40.796 40.800 0.038 0.000 0.907 4439 D HN 0.442 nan 8.370 nan 0.000 0.514 4440 A N -0.269 122.539 122.820 -0.021 0.000 2.238 4440 A HA 0.398 4.718 4.320 -0.000 0.000 0.208 4440 A C 1.781 179.329 177.584 -0.061 0.000 1.177 4440 A CA 0.914 52.930 52.037 -0.036 0.000 0.804 4440 A CB -0.171 18.799 19.000 -0.049 0.000 0.823 4440 A HN 0.232 nan 8.150 nan 0.000 0.482 4441 G N -2.275 106.486 108.800 -0.065 0.000 2.132 4441 G HA2 0.149 4.109 3.960 -0.000 0.000 0.234 4441 G HA3 0.149 4.109 3.960 -0.000 0.000 0.234 4441 G C 0.227 175.081 174.900 -0.076 0.000 0.989 4441 G CA 0.262 45.330 45.100 -0.053 0.000 0.676 4441 G HN 1.580 nan 8.290 nan 0.000 0.522 4442 A N -0.089 122.636 122.820 -0.158 0.000 2.325 4442 A HA 0.874 5.194 4.320 -0.000 0.000 0.333 4442 A C -2.363 175.227 177.584 0.009 0.000 1.155 4442 A CA -1.707 50.247 52.037 -0.139 0.000 0.814 4442 A CB 1.253 20.010 19.000 -0.406 0.000 1.206 4442 A HN 0.063 nan 8.150 nan 0.000 0.482 4443 P HA 0.206 nan 4.420 nan 0.000 0.263 4443 P C -0.494 176.955 177.300 0.247 0.000 1.195 4443 P CA 0.801 63.976 63.100 0.127 0.000 0.762 4443 P CB 0.657 32.461 31.700 0.174 0.000 0.799 4444 T N 3.414 118.008 114.554 0.067 0.000 2.893 4444 T HA 0.576 4.926 4.350 -0.000 0.000 0.291 4444 T C -1.030 173.539 174.700 -0.218 0.000 1.028 4444 T CA -0.235 61.934 62.100 0.116 0.000 0.995 4444 T CB 0.802 69.822 68.868 0.253 0.000 1.051 4444 T HN 0.110 nan 8.240 nan 0.000 0.470 4445 Y N 0.933 121.237 120.300 0.007 0.000 2.504 4445 Y HA 0.664 5.214 4.550 0.000 0.000 0.344 4445 Y C -0.144 175.755 175.900 -0.002 0.000 1.023 4445 Y CA -1.042 57.060 58.100 0.004 0.000 1.020 4445 Y CB 2.074 40.320 38.460 -0.357 0.000 1.282 4445 Y HN 0.385 nan 8.280 nan 0.000 0.454 4446 M N 3.203 123.056 119.600 0.421 0.000 2.619 4446 M HA 0.556 5.036 4.480 -0.000 0.000 0.297 4446 M C -1.632 174.934 176.300 0.443 0.000 1.229 4446 M CA -0.987 54.416 55.300 0.170 0.000 0.860 4446 M CB 3.350 35.816 32.600 -0.224 0.000 1.741 4446 M HN 0.768 nan 8.290 nan 0.000 0.462 4447 Y N -1.456 118.943 120.300 0.166 0.000 2.656 4447 Y HA 0.715 5.265 4.550 0.000 0.000 0.334 4447 Y C -1.744 174.221 175.900 0.108 0.000 1.179 4447 Y CA -0.999 57.147 58.100 0.076 0.000 1.050 4447 Y CB 1.506 39.909 38.460 -0.095 0.000 1.308 4447 Y HN 0.689 nan 8.280 nan 0.000 0.456 4448 E N 2.182 122.609 120.200 0.378 0.000 2.241 4448 E HA 0.357 4.707 4.350 -0.000 0.000 0.263 4448 E C -2.255 174.605 176.600 0.433 0.000 0.882 4448 E CA -0.859 55.716 56.400 0.292 0.000 0.769 4448 E CB 1.526 31.350 29.700 0.207 0.000 1.185 4448 E HN 0.624 nan 8.360 nan 0.000 0.415 4449 F N 3.798 123.952 119.950 0.340 0.000 2.411 4449 F HA 0.276 4.803 4.527 -0.000 0.000 0.355 4449 F C -0.348 175.568 175.800 0.192 0.000 1.117 4449 F CA -0.153 58.001 58.000 0.257 0.000 1.139 4449 F CB 1.119 40.288 39.000 0.282 0.000 1.120 4449 F HN 0.429 nan 8.300 nan 0.000 0.493 4450 Q N 7.026 126.625 119.800 -0.336 0.000 2.771 4450 Q HA 0.275 4.615 4.340 -0.000 0.000 0.247 4450 Q C -2.229 173.599 176.000 -0.286 0.000 0.986 4450 Q CA -0.552 55.142 55.803 -0.182 0.000 0.713 4450 Q CB 0.902 29.613 28.738 -0.045 0.000 1.241 4450 Q HN 0.819 nan 8.270 nan 0.000 0.488 4451 Y N 0.582 120.585 120.300 -0.494 0.000 2.592 4451 Y HA 0.410 4.960 4.550 -0.000 0.000 0.334 4451 Y C -1.875 173.999 175.900 -0.043 0.000 1.136 4451 Y CA -0.906 56.993 58.100 -0.335 0.000 1.042 4451 Y CB 1.578 39.707 38.460 -0.552 0.000 1.325 4451 Y HN 0.440 nan 8.280 nan 0.000 0.457 4452 R N 6.339 126.537 120.500 -0.503 0.000 2.275 4452 R HA 0.471 4.811 4.340 -0.000 0.000 0.326 4452 R C -2.822 173.316 176.300 -0.270 0.000 0.973 4452 R CA -2.095 53.855 56.100 -0.251 0.000 0.854 4452 R CB 1.027 31.160 30.300 -0.279 0.000 1.156 4452 R HN 0.400 nan 8.270 nan 0.000 0.487 4453 P HA -0.036 nan 4.420 nan 0.000 0.269 4453 P C 0.257 177.388 177.300 -0.282 0.000 1.209 4453 P CA 0.082 63.189 63.100 0.011 0.000 0.776 4453 P CB 1.362 33.025 31.700 -0.062 0.000 0.876 4454 S N 1.171 116.589 115.700 -0.471 0.000 2.481 4454 S HA -0.089 4.381 4.470 -0.000 0.000 0.231 4454 S C 1.243 175.460 174.600 -0.638 0.000 0.996 4454 S CA 0.502 58.352 58.200 -0.583 0.000 0.942 4454 S CB -1.132 61.658 63.200 -0.682 0.000 0.768 4454 S HN 0.376 nan 8.310 nan 0.000 0.520 4455 F N 2.489 122.230 119.950 -0.349 0.000 2.804 4455 F HA 0.343 4.870 4.527 -0.000 0.000 0.303 4455 F C 1.382 176.930 175.800 -0.420 0.000 1.154 4455 F CA -0.446 57.317 58.000 -0.395 0.000 1.401 4455 F CB -0.617 38.075 39.000 -0.515 0.000 1.106 4455 F HN 0.028 nan 8.300 nan 0.000 0.568 4456 S N -0.054 115.479 115.700 -0.279 0.000 2.572 4456 S HA 0.015 4.485 4.470 -0.000 0.000 0.267 4456 S C 0.594 175.121 174.600 -0.122 0.000 1.361 4456 S CA -0.547 57.544 58.200 -0.180 0.000 1.009 4456 S CB 0.701 63.781 63.200 -0.199 0.000 0.888 4456 S HN 0.270 nan 8.310 nan 0.000 0.553 4457 S N 0.091 115.721 115.700 -0.115 0.000 2.576 4457 S HA 0.052 4.522 4.470 -0.000 0.000 0.276 4457 S C 0.751 175.207 174.600 -0.241 0.000 1.339 4457 S CA -0.654 57.476 58.200 -0.117 0.000 1.039 4457 S CB 0.212 63.391 63.200 -0.035 0.000 0.902 4457 S HN 0.603 nan 8.310 nan 0.000 0.516 4458 D N 3.458 123.773 120.400 -0.142 0.000 2.310 4458 D HA -0.058 4.582 4.640 -0.000 0.000 0.212 4458 D C 1.302 177.491 176.300 -0.186 0.000 0.965 4458 D CA 1.186 55.097 54.000 -0.148 0.000 0.879 4458 D CB -0.004 40.749 40.800 -0.078 0.000 0.921 4458 D HN 0.635 nan 8.370 nan 0.000 0.510 4459 M N 0.099 119.576 119.600 -0.205 0.000 2.561 4459 M HA 0.025 4.505 4.480 -0.000 0.000 0.238 4459 M C 0.874 176.854 176.300 -0.532 0.000 1.131 4459 M CA 0.197 55.398 55.300 -0.166 0.000 1.046 4459 M CB 0.244 32.916 32.600 0.121 0.000 1.532 4459 M HN -0.268 nan 8.290 nan 0.000 0.497 4460 K N 3.582 123.416 120.400 -0.942 0.000 2.262 4460 K HA 0.259 4.579 4.320 -0.000 0.000 0.282 4460 K C -2.280 173.949 176.600 -0.619 0.000 1.066 4460 K CA -1.769 53.700 56.287 -1.363 0.000 0.901 4460 K CB 0.853 32.570 32.500 -1.305 0.000 1.089 4460 K HN -0.088 nan 8.250 nan 0.000 0.476 4461 P HA -0.077 nan 4.420 nan 0.000 0.263 4461 P C -0.435 176.753 177.300 -0.187 0.000 1.175 4461 P CA 0.274 63.249 63.100 -0.208 0.000 0.761 4461 P CB 0.649 32.291 31.700 -0.096 0.000 0.794 4462 K N 0.960 121.272 120.400 -0.148 0.000 2.360 4462 K HA -0.066 4.254 4.320 -0.000 0.000 0.201 4462 K C 1.490 178.025 176.600 -0.107 0.000 1.046 4462 K CA 1.642 57.846 56.287 -0.138 0.000 0.945 4462 K CB -0.420 32.008 32.500 -0.121 0.000 0.750 4462 K HN 0.620 nan 8.250 nan 0.000 0.464 4463 T N -1.814 112.695 114.554 -0.075 0.000 3.148 4463 T HA 0.083 4.433 4.350 -0.000 0.000 0.253 4463 T C 0.605 175.291 174.700 -0.023 0.000 1.134 4463 T CA -0.195 61.879 62.100 -0.044 0.000 1.051 4463 T CB 0.036 68.893 68.868 -0.019 0.000 0.959 4463 T HN -0.224 nan 8.240 nan 0.000 0.525 4464 V N 2.895 122.790 119.914 -0.032 0.000 2.339 4464 V HA 0.403 4.523 4.120 -0.000 0.000 0.261 4464 V C -0.023 176.073 176.094 0.005 0.000 1.058 4464 V CA -0.795 61.513 62.300 0.015 0.000 0.897 4464 V CB 0.019 31.867 31.823 0.041 0.000 1.052 4464 V HN 0.475 nan 8.190 nan 0.000 0.480 4465 I N 3.631 124.212 120.570 0.018 0.000 2.377 4465 I HA 0.615 4.785 4.170 -0.000 0.000 0.293 4465 I C 1.071 177.239 176.117 0.085 0.000 0.987 4465 I CA -0.473 60.830 61.300 0.005 0.000 1.185 4465 I CB 1.642 39.617 38.000 -0.042 0.000 1.341 4465 I HN 0.758 nan 8.210 nan 0.000 0.455 4466 G N 3.775 112.667 108.800 0.154 0.000 2.324 4466 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.292 4466 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.292 4466 G C -0.388 174.672 174.900 0.267 0.000 1.079 4466 G CA -0.069 45.202 45.100 0.285 0.000 1.026 4466 G HN 0.746 nan 8.290 nan 0.000 0.506 4467 D N -0.925 119.634 120.400 0.265 0.000 2.411 4467 D HA 0.415 5.055 4.640 -0.000 0.000 0.251 4467 D C 0.932 177.405 176.300 0.289 0.000 1.201 4467 D CA -0.605 53.553 54.000 0.263 0.000 0.996 4467 D CB 0.427 41.402 40.800 0.292 0.000 1.101 4467 D HN 0.322 nan 8.370 nan 0.000 0.504 4468 H N -0.322 118.833 119.070 0.143 0.000 3.094 4468 H HA 0.267 4.823 4.556 0.000 0.000 0.320 4468 H C 1.342 176.782 175.328 0.188 0.000 1.000 4468 H CA 1.711 57.819 56.048 0.099 0.000 1.413 4468 H CB 0.079 29.899 29.762 0.097 0.000 1.405 4468 H HN 0.602 nan 8.280 nan 0.000 0.586 4469 G N 4.249 112.901 108.800 -0.246 0.000 2.155 4469 G HA2 -0.341 3.619 3.960 -0.000 0.000 0.257 4469 G HA3 -0.341 3.619 3.960 -0.000 0.000 0.257 4469 G C 1.093 175.885 174.900 -0.180 0.000 0.983 4469 G CA 0.680 45.486 45.100 -0.490 0.000 0.676 4469 G HN 0.673 nan 8.290 nan 0.000 0.528 4470 D N 0.471 120.919 120.400 0.080 0.000 2.224 4470 D HA -0.002 4.638 4.640 -0.000 0.000 0.205 4470 D C 2.406 178.735 176.300 0.048 0.000 0.965 4470 D CA 1.215 55.397 54.000 0.302 0.000 0.852 4470 D CB -0.018 41.051 40.800 0.448 0.000 0.947 4470 D HN 0.668 nan 8.370 nan 0.000 0.494 4471 E N 1.071 120.927 120.200 -0.574 0.000 2.347 4471 E HA -0.115 4.235 4.350 -0.000 0.000 0.196 4471 E C 2.071 178.334 176.600 -0.562 0.000 1.008 4471 E CA 0.217 55.896 56.400 -1.201 0.000 0.852 4471 E CB -0.610 28.353 29.700 -1.228 0.000 0.783 4471 E HN 0.319 nan 8.360 nan 0.000 0.505 4472 L N -0.090 120.889 121.223 -0.407 0.000 2.043 4472 L HA -0.177 4.163 4.340 -0.000 0.000 0.212 4472 L C 2.489 179.113 176.870 -0.411 0.000 1.075 4472 L CA 1.634 56.224 54.840 -0.417 0.000 0.752 4472 L CB -0.629 41.045 42.059 -0.642 0.000 0.891 4472 L HN 0.036 nan 8.230 nan 0.000 0.432 4473 F N -0.772 119.086 119.950 -0.154 0.000 2.269 4473 F HA -0.181 4.346 4.527 -0.000 0.000 0.301 4473 F C 2.648 178.370 175.800 -0.130 0.000 1.082 4473 F CA 1.128 59.052 58.000 -0.127 0.000 1.360 4473 F CB -0.658 38.349 39.000 0.011 0.000 1.041 4473 F HN -0.027 nan 8.300 nan 0.000 0.512 4474 S N -0.121 115.559 115.700 -0.033 0.000 2.348 4474 S HA -0.089 4.381 4.470 -0.000 0.000 0.219 4474 S C 2.310 176.738 174.600 -0.287 0.000 1.033 4474 S CA 1.018 59.143 58.200 -0.124 0.000 0.974 4474 S CB -0.466 62.644 63.200 -0.150 0.000 0.868 4474 S HN 0.108 nan 8.310 nan 0.000 0.459 4475 V N 0.769 120.389 119.914 -0.491 0.000 2.392 4475 V HA -0.126 3.994 4.120 -0.000 0.000 0.249 4475 V C 1.428 177.149 176.094 -0.622 0.000 1.059 4475 V CA 1.625 63.499 62.300 -0.708 0.000 1.051 4475 V CB -0.686 30.619 31.823 -0.862 0.000 0.658 4475 V HN 0.451 nan 8.190 nan 0.000 0.455 4476 F N 0.275 120.013 119.950 -0.354 0.000 2.660 4476 F HA 0.452 4.979 4.527 -0.000 0.000 0.302 4476 F C 1.705 177.378 175.800 -0.212 0.000 1.103 4476 F CA 0.542 58.360 58.000 -0.304 0.000 1.340 4476 F CB -0.078 38.691 39.000 -0.385 0.000 1.048 4476 F HN 0.252 nan 8.300 nan 0.000 0.551 4477 G N 0.704 109.484 108.800 -0.034 0.000 2.249 4477 G HA2 -0.351 3.609 3.960 -0.000 0.000 0.273 4477 G HA3 -0.351 3.609 3.960 -0.000 0.000 0.273 4477 G C 1.356 176.275 174.900 0.031 0.000 1.036 4477 G CA 0.346 45.507 45.100 0.101 0.000 0.824 4477 G HN 0.570 nan 8.290 nan 0.000 0.504 4478 A N 0.395 123.138 122.820 -0.127 0.000 1.927 4478 A HA -0.006 4.314 4.320 -0.000 0.000 0.220 4478 A C 0.658 178.009 177.584 -0.388 0.000 1.185 4478 A CA 2.387 54.204 52.037 -0.368 0.000 0.639 4478 A CB -1.018 17.611 19.000 -0.618 0.000 0.820 4478 A HN 0.489 nan 8.150 nan 0.000 0.451 4479 P HA -0.133 nan 4.420 nan 0.000 0.220 4479 P C 0.424 177.412 177.300 -0.521 0.000 1.144 4479 P CA 1.001 63.920 63.100 -0.302 0.000 0.800 4479 P CB -0.154 31.186 31.700 -0.600 0.000 0.772 4480 F N -2.805 117.154 119.950 0.015 0.000 2.639 4480 F HA 0.283 4.810 4.527 -0.000 0.000 0.302 4480 F C 1.556 177.383 175.800 0.046 0.000 1.097 4480 F CA 0.148 58.180 58.000 0.053 0.000 1.294 4480 F CB -0.115 38.914 39.000 0.049 0.000 1.027 4480 F HN -0.177 nan 8.300 nan 0.000 0.550 4481 L N -1.476 119.802 121.223 0.092 0.000 2.815 4481 L HA 0.248 4.588 4.340 -0.000 0.000 0.241 4481 L C 0.537 177.426 176.870 0.031 0.000 1.047 4481 L CA 0.084 54.961 54.840 0.061 0.000 0.939 4481 L CB 0.368 42.434 42.059 0.013 0.000 1.490 4481 L HN -0.201 nan 8.230 nan 0.000 0.510 4482 K N 0.560 120.955 120.400 -0.008 0.000 2.168 4482 K HA 0.488 4.808 4.320 -0.000 0.000 0.239 4482 K C -0.688 176.036 176.600 0.206 0.000 0.999 4482 K CA -0.620 55.715 56.287 0.079 0.000 0.900 4482 K CB 1.574 34.085 32.500 0.019 0.000 1.111 4482 K HN -0.077 nan 8.250 nan 0.000 0.452 4483 E N -0.927 119.403 120.200 0.217 0.000 2.254 4483 E HA 0.378 4.728 4.350 -0.000 0.000 0.258 4483 E C 0.320 176.984 176.600 0.105 0.000 1.033 4483 E CA -0.355 56.134 56.400 0.149 0.000 0.893 4483 E CB 1.364 31.112 29.700 0.080 0.000 1.204 4483 E HN 0.773 nan 8.360 nan 0.000 0.425 4484 G N -0.005 108.800 108.800 0.008 0.000 2.195 4484 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.246 4484 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.246 4484 G C 0.334 175.133 174.900 -0.168 0.000 0.984 4484 G CA -0.066 44.979 45.100 -0.092 0.000 0.633 4484 G HN 0.742 nan 8.290 nan 0.000 0.525 4485 A N 0.843 123.589 122.820 -0.125 0.000 2.520 4485 A HA 0.617 4.937 4.320 -0.000 0.000 0.245 4485 A C 1.219 178.747 177.584 -0.093 0.000 1.072 4485 A CA 1.137 53.089 52.037 -0.142 0.000 0.761 4485 A CB 0.116 19.110 19.000 -0.009 0.000 1.004 4485 A HN 2.035 nan 8.150 nan 0.000 0.499 4486 S N 1.463 117.110 115.700 -0.088 0.000 2.626 4486 S HA 0.155 4.625 4.470 -0.000 0.000 0.257 4486 S C 0.918 175.502 174.600 -0.026 0.000 1.288 4486 S CA 0.499 58.671 58.200 -0.047 0.000 0.980 4486 S CB 0.470 63.652 63.200 -0.030 0.000 0.975 4486 S HN 0.734 nan 8.310 nan 0.000 0.577 4487 E N 0.323 120.518 120.200 -0.010 0.000 2.158 4487 E HA -0.072 4.278 4.350 -0.000 0.000 0.191 4487 E C 1.954 178.557 176.600 0.006 0.000 0.982 4487 E CA 1.451 57.853 56.400 0.002 0.000 0.823 4487 E CB -0.347 29.359 29.700 0.010 0.000 0.766 4487 E HN 0.836 nan 8.360 nan 0.000 0.468 4488 E N 0.304 120.512 120.200 0.013 0.000 2.072 4488 E HA -0.210 4.140 4.350 -0.000 0.000 0.190 4488 E C 1.977 178.571 176.600 -0.010 0.000 0.982 4488 E CA 1.162 57.575 56.400 0.021 0.000 0.803 4488 E CB -0.138 29.599 29.700 0.062 0.000 0.755 4488 E HN 0.313 nan 8.360 nan 0.000 0.453 4489 E N 0.359 120.571 120.200 0.020 0.000 2.110 4489 E HA -0.169 4.181 4.350 -0.000 0.000 0.193 4489 E C 2.164 178.716 176.600 -0.080 0.000 0.988 4489 E CA 1.182 57.566 56.400 -0.027 0.000 0.804 4489 E CB -0.065 29.682 29.700 0.078 0.000 0.745 4489 E HN 0.392 nan 8.360 nan 0.000 0.458 4490 I N 0.485 121.009 120.570 -0.077 0.000 2.208 4490 I HA -0.305 3.865 4.170 -0.000 0.000 0.245 4490 I C 2.596 178.721 176.117 0.013 0.000 1.097 4490 I CA 1.172 62.398 61.300 -0.124 0.000 1.363 4490 I CB -0.259 37.690 38.000 -0.085 0.000 1.051 4490 I HN 0.093 nan 8.210 nan 0.000 0.413 4491 R N 0.109 120.616 120.500 0.013 0.000 2.075 4491 R HA -0.168 4.172 4.340 -0.000 0.000 0.232 4491 R C 2.282 178.575 176.300 -0.013 0.000 1.126 4491 R CA 1.119 57.235 56.100 0.027 0.000 0.963 4491 R CB -0.457 29.848 30.300 0.008 0.000 0.858 4491 R HN 0.210 nan 8.270 nan 0.000 0.435 4492 L N 0.635 121.806 121.223 -0.087 0.000 2.012 4492 L HA -0.200 4.140 4.340 -0.000 0.000 0.210 4492 L C 2.317 179.145 176.870 -0.070 0.000 1.073 4492 L CA 1.940 56.699 54.840 -0.136 0.000 0.748 4492 L CB -0.857 40.986 42.059 -0.359 0.000 0.891 4492 L HN 0.044 nan 8.230 nan 0.000 0.431 4493 S N -0.948 114.727 115.700 -0.042 0.000 2.359 4493 S HA -0.239 4.231 4.470 -0.000 0.000 0.224 4493 S C 2.079 176.707 174.600 0.046 0.000 1.035 4493 S CA 1.616 59.819 58.200 0.004 0.000 1.018 4493 S CB -0.227 63.003 63.200 0.050 0.000 0.876 4493 S HN 0.525 nan 8.310 nan 0.000 0.448 4494 K N 0.359 120.838 120.400 0.132 0.000 2.044 4494 K HA -0.161 4.159 4.320 -0.000 0.000 0.210 4494 K C 2.336 178.928 176.600 -0.013 0.000 1.049 4494 K CA 1.826 58.170 56.287 0.095 0.000 0.927 4494 K CB -0.328 32.261 32.500 0.149 0.000 0.713 4494 K HN 0.476 nan 8.250 nan 0.000 0.443 4495 M N 0.826 120.396 119.600 -0.049 0.000 2.059 4495 M HA -0.189 4.291 4.480 -0.000 0.000 0.259 4495 M C 2.073 178.300 176.300 -0.121 0.000 1.072 4495 M CA 1.625 56.830 55.300 -0.159 0.000 1.117 4495 M CB -0.061 32.463 32.600 -0.126 0.000 1.320 4495 M HN -0.057 nan 8.290 nan 0.000 0.408 4496 V N 1.104 121.007 119.914 -0.018 0.000 2.380 4496 V HA -0.349 3.771 4.120 -0.000 0.000 0.251 4496 V C 2.438 178.519 176.094 -0.022 0.000 1.063 4496 V CA 2.151 64.446 62.300 -0.008 0.000 1.055 4496 V CB -0.740 30.891 31.823 -0.321 0.000 0.657 4496 V HN 0.587 nan 8.190 nan 0.000 0.455 4497 M N -1.026 118.519 119.600 -0.092 0.000 2.159 4497 M HA -0.187 4.293 4.480 -0.000 0.000 0.263 4497 M C 2.296 178.644 176.300 0.080 0.000 1.063 4497 M CA 1.741 57.009 55.300 -0.052 0.000 1.110 4497 M CB -0.493 32.046 32.600 -0.102 0.000 1.374 4497 M HN 0.260 nan 8.290 nan 0.000 0.411 4498 K N 0.086 120.510 120.400 0.039 0.000 2.025 4498 K HA -0.067 4.253 4.320 -0.000 0.000 0.207 4498 K C 1.826 178.529 176.600 0.171 0.000 1.049 4498 K CA 1.373 57.682 56.287 0.036 0.000 0.933 4498 K CB -0.229 32.218 32.500 -0.088 0.000 0.714 4498 K HN 0.235 nan 8.250 nan 0.000 0.438 4499 F N -0.008 120.080 119.950 0.229 0.000 2.091 4499 F HA -0.299 4.228 4.527 0.000 0.000 0.299 4499 F C 2.424 178.368 175.800 0.240 0.000 1.103 4499 F CA 0.805 58.971 58.000 0.277 0.000 1.228 4499 F CB -0.175 39.157 39.000 0.552 0.000 0.984 4499 F HN 0.280 nan 8.300 nan 0.000 0.477 4500 W N -0.014 121.380 121.300 0.157 0.000 2.355 4500 W HA -0.212 4.448 4.660 -0.000 0.000 0.309 4500 W C 2.607 179.125 176.519 -0.001 0.000 1.206 4500 W CA 1.089 58.444 57.345 0.017 0.000 1.284 4500 W CB -0.571 28.839 29.460 -0.083 0.000 1.145 4500 W HN -0.024 nan 8.180 nan 0.000 0.502 4501 A N 0.324 123.265 122.820 0.201 0.000 1.968 4501 A HA -0.179 4.141 4.320 -0.000 0.000 0.217 4501 A C 1.664 179.282 177.584 0.056 0.000 1.169 4501 A CA 1.524 53.606 52.037 0.076 0.000 0.638 4501 A CB -0.821 18.210 19.000 0.051 0.000 0.812 4501 A HN 0.229 nan 8.150 nan 0.000 0.446 4502 N N -0.939 117.816 118.700 0.093 0.000 2.216 4502 N HA -0.092 4.648 4.740 -0.000 0.000 0.183 4502 N C 1.358 176.879 175.510 0.019 0.000 1.017 4502 N CA 1.162 54.246 53.050 0.057 0.000 0.861 4502 N CB -0.545 37.999 38.487 0.094 0.000 0.986 4502 N HN 0.509 nan 8.380 nan 0.000 0.428 4503 F N 1.948 121.812 119.950 -0.144 0.000 2.102 4503 F HA -0.056 4.471 4.527 -0.000 0.000 0.298 4503 F C 2.199 177.907 175.800 -0.153 0.000 1.105 4503 F CA 1.237 59.094 58.000 -0.239 0.000 1.239 4503 F CB -0.544 38.215 39.000 -0.401 0.000 0.991 4503 F HN 0.028 nan 8.300 nan 0.000 0.474 4504 A N 0.333 123.092 122.820 -0.102 0.000 1.978 4504 A HA -0.191 4.129 4.320 -0.000 0.000 0.220 4504 A C 2.357 179.853 177.584 -0.146 0.000 1.170 4504 A CA 1.801 53.751 52.037 -0.144 0.000 0.636 4504 A CB -0.631 18.324 19.000 -0.075 0.000 0.810 4504 A HN 0.472 nan 8.150 nan 0.000 0.448 4505 R N -0.773 119.661 120.500 -0.109 0.000 2.052 4505 R HA -0.003 4.337 4.340 -0.000 0.000 0.226 4505 R C 1.301 177.529 176.300 -0.119 0.000 1.145 4505 R CA 1.420 57.469 56.100 -0.086 0.000 0.952 4505 R CB -0.198 30.077 30.300 -0.042 0.000 0.847 4505 R HN 0.547 nan 8.270 nan 0.000 0.431 4506 N N -1.231 117.388 118.700 -0.135 0.000 2.322 4506 N HA 0.064 4.804 4.740 -0.000 0.000 0.181 4506 N C 0.820 176.208 175.510 -0.204 0.000 1.088 4506 N CA 0.970 53.943 53.050 -0.128 0.000 0.885 4506 N CB 1.366 39.815 38.487 -0.064 0.000 1.013 4506 N HN 0.388 nan 8.380 nan 0.000 0.472 4507 G N 1.321 109.873 108.800 -0.414 0.000 2.132 4507 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.228 4507 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.228 4507 G C -0.278 174.461 174.900 -0.268 0.000 1.000 4507 G CA 0.027 44.731 45.100 -0.659 0.000 0.693 4507 G HN 0.467 nan 8.290 nan 0.000 0.515 4508 N N -0.299 118.309 118.700 -0.153 0.000 2.478 4508 N HA 0.392 5.132 4.740 -0.000 0.000 0.291 4508 N C -1.512 173.903 175.510 -0.159 0.000 1.090 4508 N CA -1.224 51.767 53.050 -0.099 0.000 0.911 4508 N CB 2.492 40.988 38.487 0.016 0.000 1.546 4508 N HN -0.047 nan 8.380 nan 0.000 0.500 4509 P HA -0.073 nan 4.420 nan 0.000 0.217 4509 P C -0.159 177.207 177.300 0.110 0.000 1.151 4509 P CA 0.614 63.551 63.100 -0.271 0.000 0.828 4509 P CB 0.254 31.352 31.700 -1.003 0.000 0.788 4510 N N 0.966 119.690 118.700 0.040 0.000 2.294 4510 N HA 0.176 4.916 4.740 -0.000 0.000 0.248 4510 N C 0.908 176.534 175.510 0.194 0.000 1.242 4510 N CA 1.307 54.496 53.050 0.233 0.000 0.848 4510 N CB 0.205 38.819 38.487 0.211 0.000 1.084 4510 N HN 0.218 nan 8.380 nan 0.000 0.457 4511 G N 0.056 108.979 108.800 0.205 0.000 2.608 4511 G HA2 0.345 4.305 3.960 -0.000 0.000 0.291 4511 G HA3 0.345 4.305 3.960 -0.000 0.000 0.291 4511 G C -1.339 173.623 174.900 0.104 0.000 1.425 4511 G CA -0.786 44.386 45.100 0.119 0.000 0.787 4511 G HN 0.585 nan 8.290 nan 0.000 0.484 4512 E N -0.861 119.379 120.200 0.068 0.000 2.384 4512 E HA 0.445 4.795 4.350 -0.000 0.000 0.266 4512 E C 1.075 177.697 176.600 0.036 0.000 1.012 4512 E CA 0.297 56.731 56.400 0.057 0.000 0.901 4512 E CB 1.056 30.781 29.700 0.042 0.000 0.967 4512 E HN 2.001 nan 8.360 nan 0.000 0.435 4513 G N 2.520 111.345 108.800 0.041 0.000 2.179 4513 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.260 4513 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.260 4513 G C -0.082 174.819 174.900 0.003 0.000 0.977 4513 G CA 0.294 45.406 45.100 0.020 0.000 0.641 4513 G HN 0.431 nan 8.290 nan 0.000 0.533 4514 L N 0.537 121.776 121.223 0.027 0.000 2.346 4514 L HA 0.544 4.884 4.340 -0.000 0.000 0.274 4514 L C -2.040 174.957 176.870 0.212 0.000 1.007 4514 L CA -2.444 52.398 54.840 0.003 0.000 0.818 4514 L CB 1.798 43.761 42.059 -0.161 0.000 1.284 4514 L HN -0.164 nan 8.230 nan 0.000 0.424 4515 P HA -0.021 nan 4.420 nan 0.000 0.265 4515 P C -0.752 176.799 177.300 0.419 0.000 1.193 4515 P CA -0.096 63.194 63.100 0.317 0.000 0.765 4515 P CB 0.216 32.088 31.700 0.286 0.000 0.823 4516 H N 2.927 122.145 119.070 0.246 0.000 3.004 4516 H HA 0.058 4.614 4.556 -0.000 0.000 0.316 4516 H C -0.902 174.601 175.328 0.291 0.000 1.014 4516 H CA 0.256 56.458 56.048 0.257 0.000 1.454 4516 H CB 0.087 29.955 29.762 0.177 0.000 1.472 4516 H HN 0.379 nan 8.280 nan 0.000 0.571 4517 W N 10.110 131.100 121.300 -0.517 0.000 2.296 4517 W HA 0.320 4.980 4.660 -0.000 0.000 0.316 4517 W C -2.809 173.427 176.519 -0.471 0.000 1.022 4517 W CA -3.269 53.825 57.345 -0.418 0.000 1.324 4517 W CB 0.854 30.041 29.460 -0.455 0.000 1.227 4517 W HN 0.564 nan 8.180 nan 0.000 0.409 4518 P HA 0.032 nan 4.420 nan 0.000 0.272 4518 P C -0.424 177.119 177.300 0.404 0.000 1.223 4518 P CA 0.154 63.384 63.100 0.217 0.000 0.784 4518 P CB 1.406 33.243 31.700 0.228 0.000 0.923 4519 E N 1.463 121.783 120.200 0.201 0.000 2.354 4519 E HA 0.015 4.365 4.350 -0.000 0.000 0.269 4519 E C -0.925 175.638 176.600 -0.061 0.000 1.036 4519 E CA -0.630 55.631 56.400 -0.232 0.000 0.876 4519 E CB 0.248 29.782 29.700 -0.276 0.000 1.009 4519 E HN 0.358 nan 8.360 nan 0.000 0.416 4520 Y N 5.904 126.061 120.300 -0.239 0.000 2.573 4520 Y HA 0.044 4.594 4.550 -0.000 0.000 0.346 4520 Y C -0.239 175.631 175.900 -0.048 0.000 1.198 4520 Y CA -0.166 57.909 58.100 -0.041 0.000 1.627 4520 Y CB -0.644 37.814 38.460 -0.004 0.000 1.457 4520 Y HN 0.529 nan 8.280 nan 0.000 0.483 4521 N N 0.524 119.100 118.700 -0.206 0.000 2.818 4521 N HA 0.096 4.836 4.740 -0.000 0.000 0.312 4521 N C 0.713 176.068 175.510 -0.259 0.000 1.368 4521 N CA -0.259 52.691 53.050 -0.165 0.000 0.817 4521 N CB 0.143 38.582 38.487 -0.081 0.000 1.116 4521 N HN 0.238 nan 8.380 nan 0.000 0.519 4522 Q N -0.252 119.461 119.800 -0.145 0.000 2.297 4522 Q HA 0.042 4.382 4.340 -0.000 0.000 0.204 4522 Q C 1.151 177.072 176.000 -0.132 0.000 0.962 4522 Q CA 1.141 56.867 55.803 -0.128 0.000 0.879 4522 Q CB -0.299 28.403 28.738 -0.061 0.000 0.947 4522 Q HN 0.610 nan 8.270 nan 0.000 0.462 4523 K N 0.739 121.071 120.400 -0.113 0.000 2.365 4523 K HA -0.061 4.259 4.320 -0.000 0.000 0.199 4523 K C 0.014 176.554 176.600 -0.100 0.000 1.045 4523 K CA 0.170 56.416 56.287 -0.069 0.000 0.962 4523 K CB 0.190 32.676 32.500 -0.024 0.000 0.759 4523 K HN 0.214 nan 8.250 nan 0.000 0.469 4524 E N -0.293 119.744 120.200 -0.272 0.000 2.416 4524 E HA -0.143 4.207 4.350 -0.000 0.000 0.249 4524 E C -0.030 176.592 176.600 0.037 0.000 1.124 4524 E CA 0.114 56.252 56.400 -0.435 0.000 0.732 4524 E CB -1.725 27.828 29.700 -0.245 0.000 1.286 4524 E HN 0.505 nan 8.360 nan 0.000 0.394 4525 G N 0.740 109.582 108.800 0.070 0.000 2.442 4525 G HA2 0.392 4.352 3.960 -0.000 0.000 0.249 4525 G HA3 0.392 4.352 3.960 -0.000 0.000 0.249 4525 G C -0.323 174.815 174.900 0.397 0.000 1.263 4525 G CA 0.128 45.337 45.100 0.181 0.000 0.846 4525 G HN 0.300 nan 8.290 nan 0.000 0.555 4526 Y N 0.071 120.485 120.300 0.190 0.000 2.597 4526 Y HA 0.668 5.218 4.550 0.000 0.000 0.340 4526 Y C -1.408 174.443 175.900 -0.081 0.000 1.097 4526 Y CA -1.915 56.288 58.100 0.172 0.000 1.037 4526 Y CB 1.529 40.101 38.460 0.187 0.000 1.305 4526 Y HN 0.538 nan 8.280 nan 0.000 0.463 4527 L N 3.016 124.023 121.223 -0.359 0.000 2.275 4527 L HA 0.450 4.790 4.340 -0.000 0.000 0.288 4527 L C -0.712 175.999 176.870 -0.265 0.000 1.046 4527 L CA -0.364 54.090 54.840 -0.643 0.000 0.805 4527 L CB 1.424 42.573 42.059 -1.516 0.000 1.193 4527 L HN 0.776 nan 8.230 nan 0.000 0.426 4528 Q N 6.201 125.872 119.800 -0.214 0.000 2.322 4528 Q HA 0.442 4.782 4.340 -0.000 0.000 0.256 4528 Q C -0.980 174.982 176.000 -0.063 0.000 0.960 4528 Q CA -0.059 55.729 55.803 -0.024 0.000 0.934 4528 Q CB 1.432 30.151 28.738 -0.033 0.000 1.200 4528 Q HN 0.592 nan 8.270 nan 0.000 0.435 4529 I N 2.152 122.715 120.570 -0.011 0.000 2.321 4529 I HA 0.648 4.818 4.170 -0.000 0.000 0.291 4529 I C 0.564 176.578 176.117 -0.173 0.000 0.998 4529 I CA -0.289 60.986 61.300 -0.042 0.000 1.227 4529 I CB 1.399 39.436 38.000 0.062 0.000 1.368 4529 I HN 0.748 nan 8.210 nan 0.000 0.466 4530 G N 3.197 111.904 108.800 -0.155 0.000 2.435 4530 G HA2 0.425 4.385 3.960 -0.000 0.000 0.296 4530 G HA3 0.425 4.385 3.960 -0.000 0.000 0.296 4530 G C 0.359 175.220 174.900 -0.064 0.000 1.240 4530 G CA 0.083 45.079 45.100 -0.173 0.000 0.872 4530 G HN 0.533 nan 8.290 nan 0.000 0.480 4531 A N -0.495 122.380 122.820 0.091 0.000 1.903 4531 A HA -0.014 4.306 4.320 -0.000 0.000 0.219 4531 A C 1.041 178.639 177.584 0.024 0.000 1.191 4531 A CA 1.674 53.771 52.037 0.101 0.000 0.638 4531 A CB -0.517 18.559 19.000 0.127 0.000 0.823 4531 A HN 0.457 nan 8.150 nan 0.000 0.451 4532 N N 0.097 118.805 118.700 0.013 0.000 2.417 4532 N HA 0.353 5.093 4.740 -0.000 0.000 0.274 4532 N C -1.406 174.100 175.510 -0.007 0.000 0.987 4532 N CA 0.080 53.133 53.050 0.005 0.000 0.912 4532 N CB 1.518 40.008 38.487 0.005 0.000 1.177 4532 N HN 0.117 nan 8.380 nan 0.000 0.490 4533 T N 3.232 117.788 114.554 0.004 0.000 2.770 4533 T HA 0.404 4.754 4.350 -0.000 0.000 0.283 4533 T C -0.339 174.365 174.700 0.006 0.000 0.988 4533 T CA -0.681 61.422 62.100 0.004 0.000 0.957 4533 T CB 1.113 70.015 68.868 0.057 0.000 0.930 4533 T HN 0.454 nan 8.240 nan 0.000 0.443 4534 Q N 1.759 121.533 119.800 -0.042 0.000 2.527 4534 Q HA 0.633 4.973 4.340 -0.000 0.000 0.280 4534 Q C -1.413 174.508 176.000 -0.133 0.000 0.977 4534 Q CA -1.071 54.705 55.803 -0.045 0.000 0.837 4534 Q CB 1.333 30.058 28.738 -0.022 0.000 1.454 4534 Q HN 0.623 nan 8.270 nan 0.000 0.387 4535 A N 1.019 123.769 122.820 -0.116 0.000 2.406 4535 A HA 0.809 5.129 4.320 -0.000 0.000 0.243 4535 A C -0.130 177.298 177.584 -0.261 0.000 1.082 4535 A CA 0.628 52.545 52.037 -0.199 0.000 0.786 4535 A CB 0.131 19.096 19.000 -0.058 0.000 1.029 4535 A HN 1.353 nan 8.150 nan 0.000 0.495 4536 A N 0.235 122.778 122.820 -0.461 0.000 2.515 4536 A HA 0.725 5.045 4.320 -0.000 0.000 0.299 4536 A C -0.895 176.461 177.584 -0.381 0.000 1.179 4536 A CA -0.574 51.197 52.037 -0.443 0.000 0.656 4536 A CB 0.863 19.518 19.000 -0.575 0.000 1.306 4536 A HN 0.848 nan 8.150 nan 0.000 0.459 4537 Q N -0.168 119.596 119.800 -0.061 0.000 2.495 4537 Q HA 0.585 4.925 4.340 -0.000 0.000 0.287 4537 Q C -1.395 174.831 176.000 0.376 0.000 1.078 4537 Q CA -1.043 54.873 55.803 0.188 0.000 0.793 4537 Q CB 2.031 30.823 28.738 0.090 0.000 1.459 4537 Q HN 0.625 nan 8.270 nan 0.000 0.422 4538 K N 0.993 121.586 120.400 0.321 0.000 3.653 4538 K HA -0.207 4.113 4.320 -0.000 0.000 0.275 4538 K C -0.819 175.895 176.600 0.191 0.000 0.962 4538 K CA -0.045 56.374 56.287 0.220 0.000 0.773 4538 K CB -1.243 31.340 32.500 0.139 0.000 1.463 4538 K HN 0.393 nan 8.250 nan 0.000 0.450 4539 L N 2.178 123.433 121.223 0.053 0.000 2.462 4539 L HA 0.031 4.371 4.340 -0.000 0.000 0.272 4539 L C 0.679 177.508 176.870 -0.067 0.000 1.166 4539 L CA 0.597 55.273 54.840 -0.273 0.000 0.880 4539 L CB 0.392 41.950 42.059 -0.835 0.000 1.142 4539 L HN 0.322 nan 8.230 nan 0.000 0.473 4540 K N 2.727 123.115 120.400 -0.020 0.000 2.971 4540 K HA -0.315 4.005 4.320 -0.000 0.000 0.265 4540 K C 1.001 177.655 176.600 0.091 0.000 1.052 4540 K CA 1.199 57.518 56.287 0.052 0.000 0.780 4540 K CB -1.487 31.044 32.500 0.053 0.000 1.214 4540 K HN 0.942 nan 8.250 nan 0.000 0.478 4541 D N 1.125 121.576 120.400 0.085 0.000 2.126 4541 D HA -0.169 4.471 4.640 -0.000 0.000 0.190 4541 D C 1.613 177.974 176.300 0.101 0.000 1.001 4541 D CA 2.034 56.091 54.000 0.096 0.000 0.841 4541 D CB 0.148 41.001 40.800 0.088 0.000 0.949 4541 D HN 0.502 nan 8.370 nan 0.000 0.446 4542 K N -0.346 120.104 120.400 0.084 0.000 2.026 4542 K HA -0.144 4.176 4.320 -0.000 0.000 0.208 4542 K C 2.278 178.954 176.600 0.127 0.000 1.048 4542 K CA 1.407 57.739 56.287 0.074 0.000 0.929 4542 K CB -0.089 32.425 32.500 0.023 0.000 0.713 4542 K HN 0.125 nan 8.250 nan 0.000 0.439 4543 E N 0.487 120.786 120.200 0.164 0.000 2.049 4543 E HA -0.184 4.166 4.350 -0.000 0.000 0.198 4543 E C 1.995 178.863 176.600 0.446 0.000 1.007 4543 E CA 1.292 57.890 56.400 0.331 0.000 0.809 4543 E CB -0.407 29.520 29.700 0.379 0.000 0.749 4543 E HN -0.004 nan 8.360 nan 0.000 0.450 4544 V N 1.037 121.138 119.914 0.311 0.000 2.324 4544 V HA -0.333 3.787 4.120 -0.000 0.000 0.250 4544 V C 2.212 178.448 176.094 0.236 0.000 1.060 4544 V CA 1.924 64.390 62.300 0.277 0.000 1.042 4544 V CB -0.957 30.970 31.823 0.175 0.000 0.650 4544 V HN 0.389 nan 8.190 nan 0.000 0.450 4545 A N -0.342 122.584 122.820 0.177 0.000 1.883 4545 A HA -0.273 4.047 4.320 -0.000 0.000 0.217 4545 A C 2.125 179.767 177.584 0.097 0.000 1.186 4545 A CA 2.245 54.354 52.037 0.120 0.000 0.624 4545 A CB -0.768 18.291 19.000 0.097 0.000 0.822 4545 A HN 0.554 nan 8.150 nan 0.000 0.444 4546 F N -0.905 119.016 119.950 -0.048 0.000 2.102 4546 F HA -0.170 4.357 4.527 0.000 0.000 0.298 4546 F C 1.971 177.606 175.800 -0.275 0.000 1.105 4546 F CA 1.730 59.603 58.000 -0.212 0.000 1.239 4546 F CB -0.549 38.233 39.000 -0.363 0.000 0.991 4546 F HN 0.377 nan 8.300 nan 0.000 0.474 4547 W N 0.409 121.648 121.300 -0.101 0.000 2.402 4547 W HA -0.097 4.563 4.660 -0.000 0.000 0.286 4547 W C 2.520 178.939 176.519 -0.168 0.000 1.221 4547 W CA 1.470 58.648 57.345 -0.279 0.000 1.257 4547 W CB -0.934 28.536 29.460 0.016 0.000 1.120 4547 W HN -0.138 nan 8.180 nan 0.000 0.551 4548 T N -0.011 114.635 114.554 0.152 0.000 2.867 4548 T HA -0.188 4.162 4.350 -0.000 0.000 0.268 4548 T C 1.343 176.062 174.700 0.032 0.000 1.057 4548 T CA 1.659 63.843 62.100 0.140 0.000 1.136 4548 T CB -0.344 68.591 68.868 0.110 0.000 0.874 4548 T HN 0.104 nan 8.240 nan 0.000 0.466 4549 N N 0.652 119.287 118.700 -0.110 0.000 2.148 4549 N HA 0.049 4.789 4.740 -0.000 0.000 0.186 4549 N C 1.610 176.985 175.510 -0.225 0.000 1.031 4549 N CA 0.448 53.406 53.050 -0.153 0.000 0.848 4549 N CB -0.463 37.911 38.487 -0.189 0.000 1.005 4549 N HN 0.100 nan 8.380 nan 0.000 0.427 4550 L N 0.031 120.952 121.223 -0.503 0.000 2.051 4550 L HA -0.100 4.240 4.340 -0.000 0.000 0.214 4550 L C 1.344 178.071 176.870 -0.239 0.000 1.076 4550 L CA 1.704 56.221 54.840 -0.539 0.000 0.758 4550 L CB -0.647 40.801 42.059 -1.018 0.000 0.890 4550 L HN 0.263 nan 8.230 nan 0.000 0.433 4551 F N -1.295 118.628 119.950 -0.045 0.000 2.748 4551 F HA 0.056 4.583 4.527 -0.000 0.000 0.299 4551 F C 2.144 177.941 175.800 -0.004 0.000 1.154 4551 F CA 0.140 58.149 58.000 0.015 0.000 1.446 4551 F CB -0.253 38.777 39.000 0.049 0.000 1.112 4551 F HN 0.192 nan 8.300 nan 0.000 0.584 4552 A N 0.277 123.174 122.820 0.129 0.000 2.235 4552 A HA 0.042 4.362 4.320 -0.000 0.000 0.208 4552 A C 0.952 178.572 177.584 0.060 0.000 1.172 4552 A CA 0.360 52.442 52.037 0.075 0.000 0.786 4552 A CB -0.356 18.661 19.000 0.028 0.000 0.804 4552 A HN 0.380 nan 8.150 nan 0.000 0.479 4553 K N 0.000 120.444 120.400 0.073 0.000 2.780 4553 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 4553 K CA 0.000 56.324 56.287 0.061 0.000 0.838 4553 K CB 0.000 32.542 32.500 0.070 0.000 1.064 4553 K HN 0.000 nan 8.250 nan 0.000 0.543