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 1mx9_1_J 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 0.000 174.679 174.600 0.132 0.000 1.055 4021 S CA 0.000 58.259 58.200 0.099 0.000 1.107 4021 S CB 0.000 63.262 63.200 0.103 0.000 0.593 4022 S N 3.575 119.370 115.700 0.158 0.000 2.438 4022 S HA 0.637 5.107 4.470 0.000 0.000 0.293 4022 S C -2.409 172.279 174.600 0.146 0.000 1.141 4022 S CA -1.317 56.959 58.200 0.127 0.000 1.080 4022 S CB 0.041 63.301 63.200 0.100 0.000 0.978 4022 S HN 0.366 nan 8.310 nan 0.000 0.479 4023 P HA 0.102 nan 4.420 nan 0.000 0.266 4023 P C -2.572 174.628 177.300 -0.166 0.000 1.180 4023 P CA -0.682 62.353 63.100 -0.108 0.000 0.765 4023 P CB -0.078 31.573 31.700 -0.082 0.000 0.806 4024 P HA 0.068 nan 4.420 nan 0.000 0.281 4024 P C -0.963 176.369 177.300 0.053 0.000 1.286 4024 P CA 0.143 63.100 63.100 -0.238 0.000 0.772 4024 P CB 0.569 31.951 31.700 -0.530 0.000 0.862 4025 V N 5.253 125.220 119.914 0.089 0.000 2.394 4025 V HA 0.291 4.411 4.120 0.000 0.000 0.282 4025 V C 0.558 176.687 176.094 0.059 0.000 1.031 4025 V CA -0.608 61.764 62.300 0.121 0.000 0.881 4025 V CB 1.897 33.767 31.823 0.079 0.000 0.982 4025 V HN 0.301 nan 8.190 nan 0.000 0.451 4026 V N 3.378 123.289 119.914 -0.005 0.000 2.715 4026 V HA 0.469 4.589 4.120 0.000 0.000 0.310 4026 V C -0.455 175.516 176.094 -0.204 0.000 1.054 4026 V CA -0.745 61.386 62.300 -0.282 0.000 0.928 4026 V CB 2.257 33.544 31.823 -0.893 0.000 1.007 4026 V HN 0.799 nan 8.190 nan 0.000 0.437 4027 D N 2.444 122.706 120.400 -0.229 0.000 2.232 4027 D HA 0.522 5.162 4.640 0.000 0.000 0.242 4027 D C 0.003 176.199 176.300 -0.173 0.000 1.093 4027 D CA 0.192 54.108 54.000 -0.140 0.000 0.845 4027 D CB 2.020 42.749 40.800 -0.119 0.000 1.124 4027 D HN 0.795 nan 8.370 nan 0.000 0.467 4028 T N -1.632 112.873 114.554 -0.081 0.000 2.916 4028 T HA 0.303 4.653 4.350 0.000 0.000 0.292 4028 T C 1.422 176.014 174.700 -0.180 0.000 1.064 4028 T CA -0.757 61.300 62.100 -0.072 0.000 1.011 4028 T CB 1.190 70.178 68.868 0.200 0.000 1.152 4028 T HN -0.012 nan 8.240 nan 0.000 0.510 4029 V N 1.343 121.091 119.914 -0.276 0.000 2.252 4029 V HA -0.204 3.916 4.120 0.000 0.000 0.249 4029 V C 2.531 178.369 176.094 -0.426 0.000 1.056 4029 V CA 1.945 64.017 62.300 -0.379 0.000 1.022 4029 V CB -1.091 30.415 31.823 -0.528 0.000 0.641 4029 V HN 0.898 nan 8.190 nan 0.000 0.445 4030 H N 0.018 118.901 119.070 -0.312 0.000 2.547 4030 H HA 0.375 4.931 4.556 0.000 0.000 0.272 4030 H C 0.995 175.551 175.328 -1.288 0.000 0.989 4030 H CA 1.020 56.680 56.048 -0.647 0.000 1.214 4030 H CB 0.143 29.567 29.762 -0.563 0.000 1.389 4030 H HN 0.568 nan 8.280 nan 0.000 0.577 4031 G N -0.137 108.184 108.800 -0.800 0.000 2.352 4031 G HA2 0.009 3.969 3.960 0.000 0.000 0.302 4031 G HA3 0.009 3.969 3.960 0.000 0.000 0.302 4031 G C -1.307 173.664 174.900 0.118 0.000 1.370 4031 G CA -1.050 43.606 45.100 -0.740 0.000 0.918 4031 G HN -0.101 nan 8.290 nan 0.000 0.610 4032 K N 0.073 120.672 120.400 0.330 0.000 2.350 4032 K HA 0.480 4.800 4.320 0.000 0.000 0.279 4032 K C 0.346 177.235 176.600 0.482 0.000 1.027 4032 K CA -0.177 56.314 56.287 0.340 0.000 0.969 4032 K CB 1.550 34.196 32.500 0.243 0.000 0.954 4032 K HN 1.177 nan 8.250 nan 0.000 0.474 4033 V N 0.961 121.064 119.914 0.315 0.000 2.531 4033 V HA 0.432 4.552 4.120 0.000 0.000 0.301 4033 V C -0.292 175.982 176.094 0.301 0.000 1.034 4033 V CA -1.108 61.376 62.300 0.307 0.000 0.865 4033 V CB 1.824 33.856 31.823 0.349 0.000 0.995 4033 V HN 0.623 nan 8.190 nan 0.000 0.424 4034 L N 4.543 125.914 121.223 0.246 0.000 2.264 4034 L HA 0.816 5.156 4.340 0.000 0.000 0.289 4034 L C 0.722 177.692 176.870 0.167 0.000 1.044 4034 L CA 0.265 55.214 54.840 0.181 0.000 0.807 4034 L CB 1.127 43.235 42.059 0.080 0.000 1.192 4034 L HN 1.014 nan 8.230 nan 0.000 0.425 4035 G N 4.308 113.130 108.800 0.037 0.000 2.857 4035 G HA2 0.555 4.516 3.960 0.000 0.000 0.217 4035 G HA3 0.555 4.516 3.960 0.000 0.000 0.217 4035 G C -1.319 173.292 174.900 -0.482 0.000 1.357 4035 G CA -0.492 44.305 45.100 -0.506 0.000 1.033 4035 G HN 0.670 nan 8.290 nan 0.000 0.571 4036 K N -1.074 118.942 120.400 -0.640 0.000 2.557 4036 K HA 0.430 4.750 4.320 0.000 0.000 0.257 4036 K C -1.790 174.597 176.600 -0.354 0.000 0.933 4036 K CA -0.765 55.277 56.287 -0.407 0.000 0.820 4036 K CB 1.203 33.560 32.500 -0.238 0.000 1.330 4036 K HN 0.297 nan 8.250 nan 0.000 0.432 4037 F N 1.794 121.676 119.950 -0.115 0.000 2.389 4037 F HA 0.457 4.984 4.527 0.000 0.000 0.337 4037 F C -0.042 175.737 175.800 -0.036 0.000 1.112 4037 F CA -0.667 57.295 58.000 -0.064 0.000 1.192 4037 F CB 1.800 40.785 39.000 -0.027 0.000 1.185 4037 F HN 0.130 nan 8.300 nan 0.000 0.552 4038 V N 2.463 122.515 119.914 0.231 0.000 2.612 4038 V HA 0.232 4.352 4.120 0.000 0.000 0.301 4038 V C -0.666 175.493 176.094 0.109 0.000 1.059 4038 V CA -0.788 61.592 62.300 0.133 0.000 0.886 4038 V CB 1.881 33.770 31.823 0.111 0.000 1.007 4038 V HN 0.751 nan 8.190 nan 0.000 0.426 4039 S N 4.419 120.168 115.700 0.082 0.000 2.617 4039 S HA 0.758 5.228 4.470 0.000 0.000 0.283 4039 S C -0.653 173.998 174.600 0.085 0.000 1.189 4039 S CA -0.436 57.806 58.200 0.069 0.000 1.036 4039 S CB 1.610 64.842 63.200 0.053 0.000 1.014 4039 S HN 0.550 nan 8.310 nan 0.000 0.522 4040 L N 2.431 123.720 121.223 0.109 0.000 2.356 4040 L HA 0.479 4.819 4.340 0.000 0.000 0.277 4040 L C -0.205 176.828 176.870 0.271 0.000 0.996 4040 L CA -0.590 54.346 54.840 0.159 0.000 0.822 4040 L CB 1.366 43.461 42.059 0.060 0.000 1.256 4040 L HN 0.671 nan 8.230 nan 0.000 0.413 4041 E N 3.749 124.076 120.200 0.212 0.000 2.820 4041 E HA 0.305 4.655 4.350 0.000 0.000 0.251 4041 E C 1.027 177.741 176.600 0.189 0.000 0.944 4041 E CA 1.818 58.319 56.400 0.170 0.000 0.955 4041 E CB 0.035 29.823 29.700 0.146 0.000 0.904 4041 E HN 0.922 nan 8.360 nan 0.000 0.513 4042 G N 3.476 112.315 108.800 0.065 0.000 2.131 4042 G HA2 -0.250 3.710 3.960 0.000 0.000 0.223 4042 G HA3 -0.250 3.710 3.960 0.000 0.000 0.223 4042 G C -0.385 174.246 174.900 -0.447 0.000 0.990 4042 G CA -0.157 44.850 45.100 -0.155 0.000 0.671 4042 G HN 0.393 nan 8.290 nan 0.000 0.521 4043 F N -0.451 119.472 119.950 -0.046 0.000 2.585 4043 F HA 0.679 5.206 4.527 0.000 0.000 0.319 4043 F C 1.122 176.897 175.800 -0.043 0.000 1.165 4043 F CA -0.142 57.824 58.000 -0.058 0.000 0.949 4043 F CB 1.436 40.398 39.000 -0.063 0.000 1.218 4043 F HN 0.140 nan 8.300 nan 0.000 0.453 4044 A N 2.262 125.131 122.820 0.082 0.000 1.829 4044 A HA -0.173 4.147 4.320 0.000 0.000 0.216 4044 A C 1.094 178.695 177.584 0.029 0.000 1.207 4044 A CA 1.242 53.298 52.037 0.032 0.000 0.622 4044 A CB -0.686 18.318 19.000 0.006 0.000 0.846 4044 A HN 0.723 nan 8.150 nan 0.000 0.447 4045 Q N 1.206 121.027 119.800 0.035 0.000 2.311 4045 Q HA 0.334 4.674 4.340 0.000 0.000 0.272 4045 Q C -2.296 173.700 176.000 -0.006 0.000 1.012 4045 Q CA -1.618 54.177 55.803 -0.013 0.000 0.891 4045 Q CB 0.653 29.396 28.738 0.010 0.000 1.201 4045 Q HN 0.434 nan 8.270 nan 0.000 0.391 4046 P HA 0.164 nan 4.420 nan 0.000 0.279 4046 P C -1.110 176.222 177.300 0.054 0.000 1.276 4046 P CA -0.503 62.565 63.100 -0.054 0.000 0.801 4046 P CB 0.902 32.491 31.700 -0.185 0.000 1.127 4047 V N 0.262 120.265 119.914 0.148 0.000 2.435 4047 V HA 0.487 4.607 4.120 0.000 0.000 0.290 4047 V C 0.596 176.881 176.094 0.318 0.000 1.030 4047 V CA -0.818 61.611 62.300 0.215 0.000 0.881 4047 V CB 0.903 32.815 31.823 0.149 0.000 0.983 4047 V HN 0.762 nan 8.190 nan 0.000 0.445 4048 A N 6.293 129.299 122.820 0.309 0.000 2.363 4048 A HA 0.784 5.104 4.320 0.000 0.000 0.270 4048 A C -0.465 177.034 177.584 -0.142 0.000 1.121 4048 A CA -0.181 51.864 52.037 0.015 0.000 0.800 4048 A CB 0.089 19.133 19.000 0.074 0.000 1.052 4048 A HN 0.776 nan 8.150 nan 0.000 0.493 4049 I N 1.968 122.249 120.570 -0.480 0.000 2.499 4049 I HA 0.373 4.543 4.170 0.000 0.000 0.288 4049 I C -1.463 174.197 176.117 -0.761 0.000 1.048 4049 I CA -0.148 60.856 61.300 -0.493 0.000 1.062 4049 I CB 1.774 39.600 38.000 -0.291 0.000 1.238 4049 I HN 0.551 nan 8.210 nan 0.000 0.426 4050 F N 6.571 126.377 119.950 -0.240 0.000 2.449 4050 F HA 0.563 5.090 4.527 0.000 0.000 0.342 4050 F C -0.280 175.380 175.800 -0.233 0.000 1.127 4050 F CA -0.574 57.336 58.000 -0.151 0.000 0.975 4050 F CB 1.310 40.315 39.000 0.007 0.000 1.146 4050 F HN 0.091 nan 8.300 nan 0.000 0.444 4051 L N 2.371 123.532 121.223 -0.103 0.000 2.317 4051 L HA 0.676 5.016 4.340 0.000 0.000 0.281 4051 L C 0.741 177.558 176.870 -0.087 0.000 1.024 4051 L CA -0.989 53.760 54.840 -0.152 0.000 0.810 4051 L CB 1.729 43.584 42.059 -0.339 0.000 1.240 4051 L HN 0.892 nan 8.230 nan 0.000 0.427 4052 G N 3.502 112.274 108.800 -0.047 0.000 2.314 4052 G HA2 -0.255 3.705 3.960 0.000 0.000 0.292 4052 G HA3 -0.255 3.705 3.960 0.000 0.000 0.292 4052 G C -0.237 174.750 174.900 0.145 0.000 1.059 4052 G CA -0.283 44.792 45.100 -0.042 0.000 0.982 4052 G HN 0.473 nan 8.290 nan 0.000 0.505 4053 I N 2.166 122.815 120.570 0.131 0.000 2.312 4053 I HA 0.224 4.394 4.170 0.000 0.000 0.291 4053 I C -1.436 174.688 176.117 0.012 0.000 1.031 4053 I CA -2.281 59.056 61.300 0.061 0.000 1.293 4053 I CB 1.311 39.285 38.000 -0.044 0.000 1.403 4053 I HN 0.021 nan 8.210 nan 0.000 0.484 4054 P HA -0.035 nan 4.420 nan 0.000 0.271 4054 P C -0.024 177.077 177.300 -0.332 0.000 1.233 4054 P CA 0.082 62.898 63.100 -0.474 0.000 0.764 4054 P CB 0.335 31.767 31.700 -0.447 0.000 0.825 4055 F N 2.085 121.764 119.950 -0.451 0.000 2.695 4055 F HA 0.679 5.206 4.527 0.000 0.000 0.303 4055 F C 0.201 175.940 175.800 -0.102 0.000 1.091 4055 F CA -0.701 57.042 58.000 -0.429 0.000 1.300 4055 F CB 0.191 38.915 39.000 -0.461 0.000 1.071 4055 F HN 0.386 nan 8.300 nan 0.000 0.578 4056 A N 0.471 122.928 122.820 -0.606 0.000 2.581 4056 A HA 0.500 4.820 4.320 0.000 0.000 0.290 4056 A C -1.390 175.964 177.584 -0.384 0.000 1.119 4056 A CA -1.147 50.648 52.037 -0.402 0.000 0.670 4056 A CB 0.716 19.421 19.000 -0.492 0.000 1.280 4056 A HN 0.167 nan 8.150 nan 0.000 0.425 4057 K N 0.707 120.961 120.400 -0.244 0.000 2.234 4057 K HA 0.469 4.789 4.320 0.000 0.000 0.282 4057 K C -2.473 173.996 176.600 -0.218 0.000 1.039 4057 K CA -1.763 54.404 56.287 -0.201 0.000 0.928 4057 K CB 0.490 32.917 32.500 -0.123 0.000 1.039 4057 K HN 0.307 nan 8.250 nan 0.000 0.470 4058 P HA -0.068 nan 4.420 nan 0.000 0.253 4058 P C -2.370 174.846 177.300 -0.140 0.000 1.159 4058 P CA -0.627 62.369 63.100 -0.174 0.000 0.779 4058 P CB 0.058 31.686 31.700 -0.119 0.000 0.745 4059 P HA 0.004 nan 4.420 nan 0.000 0.246 4059 P C -0.417 176.804 177.300 -0.131 0.000 1.675 4059 P CA 0.478 63.491 63.100 -0.144 0.000 0.908 4059 P CB -0.013 31.601 31.700 -0.144 0.000 1.890 4060 L N -0.492 120.667 121.223 -0.107 0.000 2.400 4060 L HA 0.547 4.887 4.340 0.000 0.000 0.264 4060 L C 1.814 178.627 176.870 -0.095 0.000 1.061 4060 L CA -0.164 54.624 54.840 -0.087 0.000 0.799 4060 L CB 0.131 42.153 42.059 -0.062 0.000 1.240 4060 L HN 0.251 nan 8.230 nan 0.000 0.461 4061 G N 1.191 109.942 108.800 -0.083 0.000 2.685 4061 G HA2 -0.304 3.656 3.960 0.000 0.000 0.329 4061 G HA3 -0.304 3.656 3.960 0.000 0.000 0.329 4061 G C -1.285 173.560 174.900 -0.092 0.000 1.271 4061 G CA 0.428 45.481 45.100 -0.077 0.000 1.003 4061 G HN 0.632 nan 8.290 nan 0.000 0.549 4062 P HA 0.051 nan 4.420 nan 0.000 0.226 4062 P C 2.032 179.284 177.300 -0.080 0.000 1.153 4062 P CA 1.223 64.296 63.100 -0.045 0.000 0.777 4062 P CB -0.062 31.629 31.700 -0.015 0.000 0.794 4063 L N -1.063 120.093 121.223 -0.111 0.000 2.395 4063 L HA 0.055 4.395 4.340 0.000 0.000 0.218 4063 L C 1.817 178.538 176.870 -0.248 0.000 1.130 4063 L CA 0.079 54.830 54.840 -0.148 0.000 0.826 4063 L CB -0.392 41.592 42.059 -0.126 0.000 0.941 4063 L HN -0.035 nan 8.230 nan 0.000 0.451 4064 R N 0.578 120.901 120.500 -0.296 0.000 2.522 4064 R HA -0.071 4.269 4.340 0.000 0.000 0.284 4064 R C -0.247 175.679 176.300 -0.623 0.000 1.032 4064 R CA 0.072 55.840 56.100 -0.553 0.000 1.049 4064 R CB 0.173 30.077 30.300 -0.660 0.000 0.956 4064 R HN 0.082 nan 8.270 nan 0.000 0.422 4065 F N -0.223 119.380 119.950 -0.577 0.000 2.965 4065 F HA -0.263 4.264 4.527 0.000 0.000 0.287 4065 F C 0.144 175.082 175.800 -1.437 0.000 0.790 4065 F CA 1.356 58.716 58.000 -1.068 0.000 1.279 4065 F CB -2.516 36.287 39.000 -0.329 0.000 1.409 4065 F HN 0.644 nan 8.300 nan 0.000 0.446 4066 T N -3.212 110.720 114.554 -1.037 0.000 2.903 4066 T HA 0.781 5.131 4.350 0.000 0.000 0.299 4066 T C -2.843 171.617 174.700 -0.400 0.000 1.093 4066 T CA -2.360 59.338 62.100 -0.668 0.000 1.002 4066 T CB 3.319 72.030 68.868 -0.261 0.000 1.127 4066 T HN -0.236 nan 8.240 nan 0.000 0.488 4067 P HA 0.173 nan 4.420 nan 0.000 0.269 4067 P C -2.419 174.914 177.300 0.055 0.000 1.205 4067 P CA -0.698 62.494 63.100 0.153 0.000 0.780 4067 P CB -0.255 31.557 31.700 0.187 0.000 0.858 4068 P HA 0.122 nan 4.420 nan 0.000 0.281 4068 P C -0.841 176.487 177.300 0.046 0.000 1.252 4068 P CA 0.083 63.212 63.100 0.049 0.000 0.778 4068 P CB 0.845 32.616 31.700 0.117 0.000 0.895 4069 Q N 3.682 123.478 119.800 -0.006 0.000 2.248 4069 Q HA 0.432 4.772 4.340 0.000 0.000 0.263 4069 Q C -2.258 173.743 176.000 0.001 0.000 1.007 4069 Q CA -2.267 53.541 55.803 0.009 0.000 0.877 4069 Q CB 0.647 29.378 28.738 -0.011 0.000 1.315 4069 Q HN 0.359 nan 8.270 nan 0.000 0.454 4070 P HA -0.122 nan 4.420 nan 0.000 0.266 4070 P C -1.267 175.986 177.300 -0.079 0.000 1.186 4070 P CA 0.401 63.530 63.100 0.048 0.000 0.767 4070 P CB 0.406 32.160 31.700 0.091 0.000 0.820 4071 A N 2.387 125.100 122.820 -0.179 0.000 2.388 4071 A HA 0.226 4.546 4.320 0.000 0.000 0.257 4071 A C 0.282 177.638 177.584 -0.379 0.000 1.095 4071 A CA -0.124 51.763 52.037 -0.250 0.000 0.791 4071 A CB -0.119 18.791 19.000 -0.150 0.000 1.029 4071 A HN 0.451 nan 8.150 nan 0.000 0.489 4072 E N 2.280 122.391 120.200 -0.149 0.000 2.360 4072 E HA 0.314 4.664 4.350 0.000 0.000 0.269 4072 E C -2.010 174.570 176.600 -0.033 0.000 1.022 4072 E CA -1.221 55.129 56.400 -0.083 0.000 0.887 4072 E CB 0.486 30.185 29.700 -0.002 0.000 0.990 4072 E HN 0.482 nan 8.360 nan 0.000 0.426 4073 P HA 0.121 nan 4.420 nan 0.000 0.274 4073 P C -1.048 176.245 177.300 -0.013 0.000 1.237 4073 P CA -0.332 62.659 63.100 -0.182 0.000 0.793 4073 P CB 0.371 31.987 31.700 -0.139 0.000 0.977 4074 W N 0.095 121.405 121.300 0.017 0.000 2.820 4074 W HA 0.616 5.276 4.660 0.000 0.000 0.350 4074 W C 0.688 177.150 176.519 -0.095 0.000 1.116 4074 W CA -0.618 56.714 57.345 -0.022 0.000 1.146 4074 W CB -0.302 29.169 29.460 0.019 0.000 1.433 4074 W HN 0.143 nan 8.180 nan 0.000 0.561 4075 S N 0.488 116.201 115.700 0.022 0.000 2.325 4075 S HA 0.037 4.507 4.470 0.000 0.000 0.213 4075 S C 0.784 175.089 174.600 -0.492 0.000 1.031 4075 S CA 0.755 58.705 58.200 -0.415 0.000 0.984 4075 S CB -0.490 62.207 63.200 -0.839 0.000 0.939 4075 S HN 0.415 nan 8.310 nan 0.000 0.438 4076 F N 0.867 120.941 119.950 0.207 0.000 2.364 4076 F HA 0.416 4.943 4.527 0.000 0.000 0.242 4076 F C 0.459 176.404 175.800 0.243 0.000 0.885 4076 F CA -1.039 57.063 58.000 0.170 0.000 1.095 4076 F CB -0.447 38.618 39.000 0.110 0.000 2.077 4076 F HN -0.162 nan 8.300 nan 0.000 0.628 4077 V N 1.223 121.371 119.914 0.390 0.000 2.432 4077 V HA 0.146 4.266 4.120 0.000 0.000 0.271 4077 V C -0.017 176.199 176.094 0.204 0.000 1.046 4077 V CA -0.928 61.541 62.300 0.281 0.000 0.945 4077 V CB 0.766 32.704 31.823 0.191 0.000 0.992 4077 V HN 0.398 nan 8.190 nan 0.000 0.471 4078 K N 4.388 124.878 120.400 0.150 0.000 2.234 4078 K HA 0.228 4.548 4.320 0.000 0.000 0.282 4078 K C -0.031 176.556 176.600 -0.022 0.000 1.039 4078 K CA -0.464 55.760 56.287 -0.105 0.000 0.928 4078 K CB 0.501 32.646 32.500 -0.592 0.000 1.039 4078 K HN 0.709 nan 8.250 nan 0.000 0.470 4079 N N 2.762 121.436 118.700 -0.043 0.000 2.406 4079 N HA 0.140 4.880 4.740 0.000 0.000 0.251 4079 N C -0.793 174.691 175.510 -0.043 0.000 1.069 4079 N CA -0.146 52.891 53.050 -0.022 0.000 0.947 4079 N CB 1.146 39.612 38.487 -0.035 0.000 1.111 4079 N HN 0.567 nan 8.380 nan 0.000 0.497 4080 A N 3.106 125.932 122.820 0.010 0.000 3.282 4080 A HA 0.179 4.499 4.320 0.000 0.000 0.287 4080 A C 0.637 178.168 177.584 -0.089 0.000 1.366 4080 A CA -0.410 51.629 52.037 0.002 0.000 1.069 4080 A CB -0.735 18.365 19.000 0.166 0.000 1.109 4080 A HN 0.697 nan 8.150 nan 0.000 0.638 4081 T N -2.987 111.486 114.554 -0.136 0.000 3.331 4081 T HA 0.482 4.832 4.350 0.000 0.000 0.282 4081 T C -0.032 174.519 174.700 -0.249 0.000 1.010 4081 T CA -0.202 61.777 62.100 -0.201 0.000 0.928 4081 T CB -0.285 68.488 68.868 -0.158 0.000 1.154 4081 T HN 0.121 nan 8.240 nan 0.000 0.516 4082 S N 0.453 115.988 115.700 -0.274 0.000 2.540 4082 S HA 0.533 5.003 4.470 0.000 0.000 0.275 4082 S C -1.387 173.027 174.600 -0.309 0.000 1.123 4082 S CA -0.835 57.197 58.200 -0.280 0.000 0.907 4082 S CB 0.888 63.987 63.200 -0.168 0.000 1.081 4082 S HN 0.356 nan 8.310 nan 0.000 0.476 4083 Y N 3.514 123.749 120.300 -0.107 0.000 2.526 4083 Y HA 0.218 4.769 4.550 0.000 0.000 0.330 4083 Y C -1.427 174.363 175.900 -0.184 0.000 1.156 4083 Y CA -1.044 56.986 58.100 -0.116 0.000 1.419 4083 Y CB -0.074 38.333 38.460 -0.089 0.000 1.250 4083 Y HN 0.401 nan 8.280 nan 0.000 0.540 4084 P HA 0.214 nan 4.420 nan 0.000 0.275 4084 P C -2.670 174.509 177.300 -0.201 0.000 1.266 4084 P CA -1.584 61.319 63.100 -0.328 0.000 0.793 4084 P CB 0.499 31.878 31.700 -0.535 0.000 1.074 4085 P HA 0.278 nan 4.420 nan 0.000 0.276 4085 P C -0.313 176.918 177.300 -0.115 0.000 1.252 4085 P CA -0.200 62.809 63.100 -0.151 0.000 0.802 4085 P CB 0.265 31.877 31.700 -0.146 0.000 1.035 4086 M N -0.311 119.218 119.600 -0.119 0.000 2.363 4086 M HA 0.475 4.955 4.480 0.000 0.000 0.343 4086 M C -0.816 175.395 176.300 -0.149 0.000 1.165 4086 M CA -0.638 54.588 55.300 -0.123 0.000 1.046 4086 M CB 0.668 33.180 32.600 -0.147 0.000 1.648 4086 M HN 0.100 nan 8.290 nan 0.000 0.452 4087 c N 2.559 121.069 118.600 -0.150 0.000 2.465 4087 c HA 0.028 4.598 4.570 0.000 0.000 0.402 4087 c C 0.907 174.799 174.090 -0.329 0.000 1.448 4087 c CA 0.061 56.252 56.329 -0.229 0.000 1.589 4087 c CB -1.166 41.229 42.510 -0.192 0.000 2.535 4087 c HN 0.880 nan 8.230 nan 0.000 0.600 4088 T N 5.202 119.438 114.554 -0.530 0.000 2.819 4088 T HA 0.172 4.522 4.350 0.000 0.000 0.282 4088 T C 0.110 174.481 174.700 -0.548 0.000 1.013 4088 T CA 0.695 62.406 62.100 -0.649 0.000 1.159 4088 T CB -0.234 67.930 68.868 -1.174 0.000 1.007 4088 T HN 0.905 nan 8.240 nan 0.000 0.514 4089 Q N 1.124 120.771 119.800 -0.255 0.000 2.782 4089 Q HA 0.378 4.718 4.340 0.000 0.000 0.308 4089 Q C -1.490 174.508 176.000 -0.005 0.000 0.883 4089 Q CA -1.230 54.531 55.803 -0.069 0.000 0.755 4089 Q CB 0.877 29.584 28.738 -0.051 0.000 1.454 4089 Q HN 0.333 nan 8.270 nan 0.000 0.452 4090 D N 2.255 122.690 120.400 0.059 0.000 2.426 4090 D HA 0.018 4.658 4.640 0.000 0.000 0.261 4090 D C -1.212 175.092 176.300 0.005 0.000 1.245 4090 D CA -1.328 52.705 54.000 0.054 0.000 0.917 4090 D CB 1.006 41.850 40.800 0.073 0.000 1.123 4090 D HN 0.311 nan 8.370 nan 0.000 0.508 4091 P HA -0.217 nan 4.420 nan 0.000 0.216 4091 P C 1.040 178.321 177.300 -0.031 0.000 1.153 4091 P CA 1.354 64.436 63.100 -0.030 0.000 0.858 4091 P CB 0.413 32.098 31.700 -0.025 0.000 0.789 4092 K N -0.122 120.267 120.400 -0.018 0.000 2.007 4092 K HA -0.008 4.312 4.320 0.000 0.000 0.206 4092 K C 2.452 179.033 176.600 -0.031 0.000 1.047 4092 K CA 1.401 57.674 56.287 -0.023 0.000 0.937 4092 K CB -0.704 31.788 32.500 -0.013 0.000 0.718 4092 K HN 0.023 nan 8.250 nan 0.000 0.438 4093 A N 1.307 124.115 122.820 -0.020 0.000 1.978 4093 A HA -0.107 4.213 4.320 0.000 0.000 0.220 4093 A C 2.357 179.909 177.584 -0.052 0.000 1.170 4093 A CA 1.984 54.003 52.037 -0.030 0.000 0.636 4093 A CB -1.023 17.976 19.000 -0.002 0.000 0.810 4093 A HN 0.453 nan 8.150 nan 0.000 0.448 4094 G N -1.185 107.586 108.800 -0.049 0.000 2.421 4094 G HA2 -0.189 3.771 3.960 0.000 0.000 0.217 4094 G HA3 -0.189 3.771 3.960 0.000 0.000 0.217 4094 G C 1.595 176.437 174.900 -0.096 0.000 1.143 4094 G CA 0.935 45.993 45.100 -0.070 0.000 0.784 4094 G HN 0.618 nan 8.290 nan 0.000 0.541 4095 Q N -0.547 119.202 119.800 -0.084 0.000 2.172 4095 Q HA 0.026 4.366 4.340 0.000 0.000 0.200 4095 Q C 2.358 178.304 176.000 -0.089 0.000 0.964 4095 Q CA 0.718 56.467 55.803 -0.089 0.000 0.855 4095 Q CB -0.128 28.569 28.738 -0.070 0.000 0.918 4095 Q HN 0.390 nan 8.270 nan 0.000 0.444 4096 L N 0.570 121.744 121.223 -0.082 0.000 2.109 4096 L HA -0.087 4.253 4.340 0.000 0.000 0.207 4096 L C 2.061 178.855 176.870 -0.127 0.000 1.086 4096 L CA 1.152 55.945 54.840 -0.078 0.000 0.760 4096 L CB -0.493 41.527 42.059 -0.066 0.000 0.910 4096 L HN 0.334 nan 8.230 nan 0.000 0.437 4097 L N -1.499 119.617 121.223 -0.178 0.000 2.156 4097 L HA -0.091 4.249 4.340 0.000 0.000 0.208 4097 L C 2.568 179.252 176.870 -0.310 0.000 1.095 4097 L CA 1.829 56.473 54.840 -0.326 0.000 0.770 4097 L CB -0.722 41.161 42.059 -0.295 0.000 0.914 4097 L HN 0.369 nan 8.230 nan 0.000 0.439 4098 S N -0.540 115.042 115.700 -0.196 0.000 2.348 4098 S HA -0.213 4.257 4.470 0.000 0.000 0.221 4098 S C 1.854 176.372 174.600 -0.136 0.000 1.033 4098 S CA 1.555 59.642 58.200 -0.188 0.000 1.010 4098 S CB -0.253 62.837 63.200 -0.183 0.000 0.891 4098 S HN 0.612 nan 8.310 nan 0.000 0.442 4099 E N 0.621 120.766 120.200 -0.092 0.000 2.086 4099 E HA -0.174 4.176 4.350 0.000 0.000 0.200 4099 E C 1.897 178.526 176.600 0.049 0.000 1.012 4099 E CA 1.538 57.921 56.400 -0.028 0.000 0.812 4099 E CB -0.329 29.364 29.700 -0.012 0.000 0.743 4099 E HN 0.507 nan 8.360 nan 0.000 0.453 4100 L N -0.373 120.875 121.223 0.042 0.000 2.552 4100 L HA -0.011 4.329 4.340 0.000 0.000 0.227 4100 L C 1.266 178.431 176.870 0.493 0.000 1.146 4100 L CA 0.113 55.072 54.840 0.199 0.000 0.858 4100 L CB 0.106 42.220 42.059 0.091 0.000 0.969 4100 L HN 0.107 nan 8.230 nan 0.000 0.451 4101 F N -1.381 118.560 119.950 -0.015 0.000 2.789 4101 F HA 0.158 4.685 4.527 0.000 0.000 0.320 4101 F C 1.707 177.218 175.800 -0.483 0.000 1.079 4101 F CA -0.631 57.249 58.000 -0.200 0.000 1.205 4101 F CB -0.340 38.561 39.000 -0.165 0.000 1.046 4101 F HN -0.165 nan 8.300 nan 0.000 0.586 4102 T N 1.740 116.162 114.554 -0.220 0.000 2.791 4102 T HA -0.015 4.335 4.350 0.000 0.000 0.323 4102 T C 1.059 175.571 174.700 -0.313 0.000 1.082 4102 T CA 0.425 62.299 62.100 -0.377 0.000 1.084 4102 T CB 0.438 69.142 68.868 -0.273 0.000 0.992 4102 T HN 0.371 nan 8.240 nan 0.000 0.547 4103 N N 0.888 119.382 118.700 -0.344 0.000 2.160 4103 N HA 0.094 4.834 4.740 0.000 0.000 0.226 4103 N C 0.014 175.399 175.510 -0.209 0.000 1.256 4103 N CA -0.549 52.330 53.050 -0.285 0.000 0.890 4103 N CB 0.130 38.424 38.487 -0.322 0.000 1.116 4103 N HN 0.724 nan 8.380 nan 0.000 0.517 4104 R N 0.336 120.731 120.500 -0.174 0.000 2.691 4104 R HA 0.498 4.838 4.340 0.000 0.000 0.259 4104 R C 0.707 176.967 176.300 -0.067 0.000 1.048 4104 R CA -0.872 55.162 56.100 -0.109 0.000 1.086 4104 R CB 1.594 31.832 30.300 -0.103 0.000 1.166 4104 R HN -0.279 nan 8.270 nan 0.000 0.526 4105 K N 0.990 121.373 120.400 -0.029 0.000 1.974 4105 K HA -0.156 4.164 4.320 0.000 0.000 0.226 4105 K C -0.018 176.577 176.600 -0.008 0.000 1.039 4105 K CA 1.784 58.071 56.287 -0.000 0.000 1.022 4105 K CB -0.238 32.271 32.500 0.015 0.000 0.746 4105 K HN 0.519 nan 8.250 nan 0.000 0.445 4106 E N 1.068 121.259 120.200 -0.015 0.000 2.349 4106 E HA 0.093 4.443 4.350 0.000 0.000 0.265 4106 E C -0.459 176.105 176.600 -0.060 0.000 1.064 4106 E CA -0.116 56.269 56.400 -0.025 0.000 0.886 4106 E CB 0.741 30.430 29.700 -0.018 0.000 1.036 4106 E HN 0.196 nan 8.360 nan 0.000 0.413 4107 N N 1.708 120.367 118.700 -0.068 0.000 2.518 4107 N HA 0.127 4.867 4.740 0.000 0.000 0.283 4107 N C -0.740 174.689 175.510 -0.135 0.000 1.119 4107 N CA -0.640 52.342 53.050 -0.112 0.000 0.983 4107 N CB 0.510 38.940 38.487 -0.095 0.000 1.139 4107 N HN 0.272 nan 8.380 nan 0.000 0.465 4108 I N 4.888 125.329 120.570 -0.214 0.000 2.308 4108 I HA 0.217 4.387 4.170 0.000 0.000 0.293 4108 I C -1.864 174.131 176.117 -0.202 0.000 1.078 4108 I CA -2.335 58.816 61.300 -0.250 0.000 1.292 4108 I CB 0.112 37.797 38.000 -0.524 0.000 1.423 4108 I HN 0.418 nan 8.210 nan 0.000 0.493 4109 P HA 0.245 nan 4.420 nan 0.000 0.271 4109 P C -0.604 176.630 177.300 -0.109 0.000 1.226 4109 P CA -0.079 62.957 63.100 -0.106 0.000 0.765 4109 P CB 1.180 32.838 31.700 -0.071 0.000 0.835 4110 L N 2.398 123.552 121.223 -0.116 0.000 2.332 4110 L HA 0.520 4.860 4.340 0.000 0.000 0.269 4110 L C 0.710 177.526 176.870 -0.091 0.000 1.016 4110 L CA -1.178 53.597 54.840 -0.109 0.000 0.809 4110 L CB 1.144 43.123 42.059 -0.133 0.000 1.280 4110 L HN 0.214 nan 8.230 nan 0.000 0.447 4111 K N 1.067 121.413 120.400 -0.089 0.000 2.123 4111 K HA 0.607 4.927 4.320 0.000 0.000 0.259 4111 K C -1.038 175.499 176.600 -0.104 0.000 0.960 4111 K CA -0.297 55.938 56.287 -0.087 0.000 0.872 4111 K CB 1.210 33.661 32.500 -0.081 0.000 1.079 4111 K HN 0.358 nan 8.250 nan 0.000 0.440 4112 L N 1.578 122.738 121.223 -0.104 0.000 2.307 4112 L HA 0.576 4.916 4.340 0.000 0.000 0.282 4112 L C -0.084 176.704 176.870 -0.136 0.000 1.051 4112 L CA -0.616 54.144 54.840 -0.133 0.000 0.804 4112 L CB 1.653 43.632 42.059 -0.134 0.000 1.197 4112 L HN 0.554 nan 8.230 nan 0.000 0.431 4113 S N 0.813 116.411 115.700 -0.170 0.000 2.543 4113 S HA 0.210 4.680 4.470 0.000 0.000 0.274 4113 S C 0.138 174.617 174.600 -0.203 0.000 1.149 4113 S CA -0.630 57.480 58.200 -0.151 0.000 0.866 4113 S CB 1.618 64.760 63.200 -0.097 0.000 1.111 4113 S HN 0.761 nan 8.310 nan 0.000 0.457 4114 E N 1.171 121.255 120.200 -0.192 0.000 2.418 4114 E HA -0.049 4.301 4.350 0.000 0.000 0.197 4114 E C -0.365 176.161 176.600 -0.123 0.000 1.026 4114 E CA 0.496 56.764 56.400 -0.219 0.000 0.862 4114 E CB 0.086 29.723 29.700 -0.105 0.000 0.799 4114 E HN 0.535 nan 8.360 nan 0.000 0.518 4115 D N 0.174 120.534 120.400 -0.066 0.000 2.563 4115 D HA 0.020 4.660 4.640 0.000 0.000 0.222 4115 D C 0.231 176.619 176.300 0.147 0.000 1.145 4115 D CA -0.331 53.681 54.000 0.021 0.000 1.001 4115 D CB -0.101 40.729 40.800 0.049 0.000 1.049 4115 D HN 0.144 nan 8.370 nan 0.000 0.515 4116 c N 1.340 119.995 118.600 0.093 0.000 3.642 4116 c HA 0.376 4.946 4.570 0.000 0.000 0.305 4116 c C 1.070 175.306 174.090 0.244 0.000 1.492 4116 c CA -0.629 55.814 56.329 0.190 0.000 1.809 4116 c CB -1.333 41.186 42.510 0.014 0.000 2.639 4116 c HN 0.395 nan 8.230 nan 0.000 0.672 4117 L N 2.432 123.593 121.223 -0.103 0.000 2.450 4117 L HA 0.227 4.567 4.340 0.000 0.000 0.256 4117 L C -0.574 175.887 176.870 -0.681 0.000 1.374 4117 L CA 0.692 55.267 54.840 -0.442 0.000 1.210 4117 L CB -1.035 40.510 42.059 -0.856 0.000 1.394 4117 L HN 0.412 nan 8.230 nan 0.000 0.438 4118 Y N 1.773 122.118 120.300 0.075 0.000 2.693 4118 Y HA 0.753 5.303 4.550 0.000 0.000 0.331 4118 Y C -0.155 175.931 175.900 0.310 0.000 1.092 4118 Y CA -1.300 56.883 58.100 0.138 0.000 1.131 4118 Y CB 1.781 40.243 38.460 0.004 0.000 1.318 4118 Y HN 0.129 nan 8.280 nan 0.000 0.510 4119 L N -0.319 121.076 121.223 0.287 0.000 2.506 4119 L HA 0.694 5.034 4.340 0.000 0.000 0.257 4119 L C -1.769 175.129 176.870 0.047 0.000 0.964 4119 L CA -1.168 53.745 54.840 0.121 0.000 0.836 4119 L CB 1.761 43.784 42.059 -0.060 0.000 1.384 4119 L HN 0.432 nan 8.230 nan 0.000 0.410 4120 N N 2.415 121.166 118.700 0.084 0.000 2.370 4120 N HA 0.789 5.529 4.740 0.000 0.000 0.303 4120 N C -1.106 174.393 175.510 -0.017 0.000 1.103 4120 N CA -0.299 52.759 53.050 0.012 0.000 0.848 4120 N CB 2.583 41.106 38.487 0.061 0.000 1.235 4120 N HN 0.738 nan 8.380 nan 0.000 0.496 4121 I N 1.251 121.717 120.570 -0.173 0.000 2.545 4121 I HA 0.345 4.515 4.170 0.000 0.000 0.292 4121 I C -1.239 174.740 176.117 -0.229 0.000 1.040 4121 I CA -0.812 60.430 61.300 -0.096 0.000 1.068 4121 I CB 1.379 39.267 38.000 -0.187 0.000 1.251 4121 I HN 0.310 nan 8.210 nan 0.000 0.424 4122 Y N 2.990 123.392 120.300 0.171 0.000 2.326 4122 Y HA 0.491 5.041 4.550 0.000 0.000 0.331 4122 Y C 0.237 176.245 175.900 0.180 0.000 0.962 4122 Y CA -0.806 57.392 58.100 0.163 0.000 1.167 4122 Y CB 2.078 40.616 38.460 0.130 0.000 1.148 4122 Y HN 0.395 nan 8.280 nan 0.000 0.463 4123 T N 5.077 119.823 114.554 0.320 0.000 2.881 4123 T HA 0.344 4.694 4.350 0.000 0.000 0.291 4123 T C -2.282 172.569 174.700 0.252 0.000 0.990 4123 T CA -2.211 60.063 62.100 0.290 0.000 0.976 4123 T CB 1.474 70.555 68.868 0.355 0.000 0.970 4123 T HN 0.383 nan 8.240 nan 0.000 0.438 4124 P HA 0.251 nan 4.420 nan 0.000 0.251 4124 P C 0.425 177.813 177.300 0.147 0.000 1.223 4124 P CA -0.095 63.088 63.100 0.139 0.000 0.796 4124 P CB 0.052 31.796 31.700 0.074 0.000 1.068 4125 A N 1.243 124.164 122.820 0.168 0.000 2.531 4125 A HA 0.041 4.361 4.320 0.000 0.000 0.236 4125 A C 0.106 177.791 177.584 0.168 0.000 1.062 4125 A CA 0.151 52.279 52.037 0.152 0.000 0.760 4125 A CB -0.569 18.526 19.000 0.158 0.000 0.995 4125 A HN 0.023 nan 8.150 nan 0.000 0.501 4126 D N 2.140 122.617 120.400 0.128 0.000 2.352 4126 D HA 0.261 4.901 4.640 0.000 0.000 0.245 4126 D C 0.840 177.219 176.300 0.131 0.000 1.224 4126 D CA -0.032 54.044 54.000 0.127 0.000 0.879 4126 D CB 0.144 40.993 40.800 0.081 0.000 1.057 4126 D HN 0.403 nan 8.370 nan 0.000 0.491 4127 L N 2.868 124.196 121.223 0.175 0.000 2.456 4127 L HA -0.065 4.275 4.340 0.000 0.000 0.224 4127 L C 2.399 179.326 176.870 0.094 0.000 1.148 4127 L CA 1.108 56.030 54.840 0.136 0.000 0.825 4127 L CB -0.592 41.570 42.059 0.170 0.000 0.937 4127 L HN 0.538 nan 8.230 nan 0.000 0.450 4128 T N -2.659 111.955 114.554 0.100 0.000 2.896 4128 T HA -0.052 4.298 4.350 0.000 0.000 0.263 4128 T C 1.139 175.868 174.700 0.048 0.000 1.050 4128 T CA 0.459 62.601 62.100 0.071 0.000 1.140 4128 T CB 0.158 69.067 68.868 0.070 0.000 0.877 4128 T HN 0.195 nan 8.240 nan 0.000 0.457 4129 K N 0.306 120.736 120.400 0.050 0.000 2.520 4129 K HA 0.518 4.838 4.320 0.000 0.000 0.256 4129 K C -0.343 176.278 176.600 0.034 0.000 1.033 4129 K CA -0.998 55.311 56.287 0.036 0.000 1.007 4129 K CB 0.502 33.024 32.500 0.036 0.000 1.330 4129 K HN -0.102 nan 8.250 nan 0.000 0.507 4130 K N 1.754 122.170 120.400 0.026 0.000 2.206 4130 K HA 0.318 4.638 4.320 0.000 0.000 0.264 4130 K C -1.145 175.472 176.600 0.028 0.000 0.967 4130 K CA -0.353 55.947 56.287 0.021 0.000 0.844 4130 K CB 0.825 33.331 32.500 0.009 0.000 1.099 4130 K HN 0.583 nan 8.250 nan 0.000 0.441 4131 N N 2.494 121.215 118.700 0.035 0.000 2.357 4131 N HA 0.416 5.156 4.740 0.000 0.000 0.284 4131 N C -0.737 174.796 175.510 0.038 0.000 1.236 4131 N CA -0.675 52.400 53.050 0.042 0.000 0.774 4131 N CB 1.627 40.153 38.487 0.064 0.000 1.534 4131 N HN 0.281 nan 8.380 nan 0.000 0.478 4132 R N 1.340 121.860 120.500 0.032 0.000 2.638 4132 R HA 0.366 4.706 4.340 0.000 0.000 0.269 4132 R C -0.551 175.765 176.300 0.026 0.000 1.393 4132 R CA -0.293 55.821 56.100 0.023 0.000 1.531 4132 R CB -0.057 30.244 30.300 0.001 0.000 1.327 4132 R HN 0.520 nan 8.270 nan 0.000 0.709 4133 L N 3.007 124.260 121.223 0.049 0.000 2.426 4133 L HA 0.285 4.625 4.340 0.000 0.000 0.271 4133 L C -1.598 175.300 176.870 0.047 0.000 1.169 4133 L CA -1.501 53.370 54.840 0.051 0.000 0.836 4133 L CB 0.441 42.546 42.059 0.077 0.000 1.112 4133 L HN -0.078 nan 8.230 nan 0.000 0.465 4134 P HA 0.059 nan 4.420 nan 0.000 0.269 4134 P C -0.927 176.405 177.300 0.053 0.000 1.209 4134 P CA -0.149 62.964 63.100 0.021 0.000 0.776 4134 P CB 1.024 32.721 31.700 -0.005 0.000 0.876 4135 V N 3.914 123.868 119.914 0.067 0.000 2.459 4135 V HA 0.407 4.527 4.120 0.000 0.000 0.295 4135 V C 0.529 176.680 176.094 0.095 0.000 1.029 4135 V CA -0.471 61.892 62.300 0.105 0.000 0.874 4135 V CB 1.271 33.173 31.823 0.132 0.000 0.985 4135 V HN 0.488 nan 8.190 nan 0.000 0.438 4136 M N 4.527 124.196 119.600 0.115 0.000 2.167 4136 M HA 0.528 5.008 4.480 0.000 0.000 0.333 4136 M C -1.115 175.411 176.300 0.377 0.000 1.030 4136 M CA -0.628 54.719 55.300 0.078 0.000 0.963 4136 M CB 2.013 34.509 32.600 -0.175 0.000 1.589 4136 M HN 0.417 nan 8.290 nan 0.000 0.431 4137 V N 3.292 123.463 119.914 0.428 0.000 2.347 4137 V HA 0.318 4.438 4.120 0.000 0.000 0.280 4137 V C -0.718 175.758 176.094 0.636 0.000 1.021 4137 V CA -0.662 61.912 62.300 0.457 0.000 0.847 4137 V CB 1.307 33.269 31.823 0.233 0.000 0.990 4137 V HN 0.842 nan 8.190 nan 0.000 0.444 4138 W N 6.970 128.452 121.300 0.304 0.000 2.361 4138 W HA 0.616 5.276 4.660 0.000 0.000 0.309 4138 W C -1.196 175.289 176.519 -0.055 0.000 1.122 4138 W CA -0.829 56.447 57.345 -0.115 0.000 1.208 4138 W CB 1.355 30.674 29.460 -0.236 0.000 1.246 4138 W HN 0.472 nan 8.180 nan 0.000 0.490 4139 I N 7.870 127.941 120.570 -0.831 0.000 2.359 4139 I HA 0.063 4.233 4.170 0.000 0.000 0.284 4139 I C 1.062 176.673 176.117 -0.844 0.000 1.018 4139 I CA -0.830 60.139 61.300 -0.552 0.000 1.173 4139 I CB 0.717 38.434 38.000 -0.471 0.000 1.326 4139 I HN 0.377 nan 8.210 nan 0.000 0.462 4140 H N 4.576 123.438 119.070 -0.347 0.000 2.895 4140 H HA 0.299 4.855 4.556 0.000 0.000 0.371 4140 H C 0.047 175.414 175.328 0.064 0.000 1.219 4140 H CA -0.251 55.743 56.048 -0.089 0.000 1.431 4140 H CB 0.704 30.677 29.762 0.352 0.000 1.414 4140 H HN 0.628 nan 8.280 nan 0.000 0.617 4141 G N -1.849 107.133 108.800 0.303 0.000 2.613 4141 G HA2 0.472 4.432 3.960 0.000 0.000 0.303 4141 G HA3 0.472 4.432 3.960 0.000 0.000 0.303 4141 G C 0.327 175.452 174.900 0.376 0.000 1.312 4141 G CA -0.722 44.541 45.100 0.273 0.000 1.036 4141 G HN 1.225 nan 8.290 nan 0.000 0.513 4142 G N -2.548 106.416 108.800 0.273 0.000 2.223 4142 G HA2 0.391 4.351 3.960 0.000 0.000 0.200 4142 G HA3 0.391 4.351 3.960 0.000 0.000 0.200 4142 G C 1.032 176.000 174.900 0.112 0.000 1.061 4142 G CA 0.679 45.897 45.100 0.196 0.000 0.790 4142 G HN 2.322 nan 8.290 nan 0.000 0.498 4143 G N 0.075 108.931 108.800 0.092 0.000 2.296 4143 G HA2 -0.161 3.799 3.960 0.000 0.000 0.282 4143 G HA3 -0.161 3.799 3.960 0.000 0.000 0.282 4143 G C 1.203 176.076 174.900 -0.044 0.000 1.014 4143 G CA 0.869 45.980 45.100 0.019 0.000 0.812 4143 G HN 1.842 nan 8.290 nan 0.000 0.508 4144 L N -3.916 117.309 121.223 0.004 0.000 4.696 4144 L HA -0.302 4.038 4.340 0.000 0.000 0.425 4144 L C 2.116 179.013 176.870 0.045 0.000 1.115 4144 L CA 1.657 56.498 54.840 0.002 0.000 0.996 4144 L CB -1.542 40.260 42.059 -0.428 0.000 2.077 4144 L HN 0.433 nan 8.230 nan 0.000 0.792 4145 M N -1.353 118.269 119.600 0.036 0.000 2.800 4145 M HA 0.287 4.767 4.480 0.000 0.000 0.257 4145 M C 1.079 177.424 176.300 0.075 0.000 1.309 4145 M CA 1.514 56.845 55.300 0.051 0.000 1.202 4145 M CB 0.178 32.790 32.600 0.021 0.000 1.273 4145 M HN 0.263 nan 8.290 nan 0.000 0.528 4146 V N -2.547 117.411 119.914 0.072 0.000 3.105 4146 V HA 1.047 5.167 4.120 0.000 0.000 0.311 4146 V C -0.095 176.071 176.094 0.120 0.000 1.282 4146 V CA -0.278 62.055 62.300 0.055 0.000 1.065 4146 V CB 0.977 32.814 31.823 0.024 0.000 1.136 4146 V HN 0.544 nan 8.190 nan 0.000 0.469 4147 G N -1.219 107.620 108.800 0.065 0.000 2.484 4147 G HA2 0.576 4.536 3.960 0.000 0.000 0.685 4147 G HA3 0.576 4.536 3.960 0.000 0.000 0.685 4147 G C -0.680 173.986 174.900 -0.390 0.000 1.294 4147 G CA -0.170 44.984 45.100 0.089 0.000 0.879 4147 G HN 2.603 nan 8.290 nan 0.000 0.646 4148 A N -0.492 121.900 122.820 -0.713 0.000 2.566 4148 A HA 1.026 5.346 4.320 0.000 0.000 0.297 4148 A C 0.717 178.092 177.584 -0.349 0.000 1.059 4148 A CA 0.673 52.360 52.037 -0.583 0.000 0.691 4148 A CB 1.013 19.847 19.000 -0.276 0.000 1.282 4148 A HN 2.562 nan 8.150 nan 0.000 0.401 4149 A N 0.734 123.477 122.820 -0.129 0.000 1.897 4149 A HA 0.094 4.414 4.320 0.000 0.000 0.215 4149 A C 2.043 179.720 177.584 0.155 0.000 1.181 4149 A CA 2.300 54.447 52.037 0.183 0.000 0.620 4149 A CB -0.765 18.381 19.000 0.243 0.000 0.821 4149 A HN 1.196 nan 8.150 nan 0.000 0.443 4150 S N -0.031 115.693 115.700 0.041 0.000 2.462 4150 S HA -0.136 4.334 4.470 0.000 0.000 0.243 4150 S C 1.849 176.318 174.600 -0.219 0.000 1.003 4150 S CA 1.588 59.773 58.200 -0.025 0.000 0.970 4150 S CB -0.549 62.586 63.200 -0.109 0.000 0.762 4150 S HN 0.717 nan 8.310 nan 0.000 0.510 4151 T N 0.750 115.138 114.554 -0.276 0.000 2.746 4151 T HA -0.074 4.276 4.350 0.000 0.000 0.267 4151 T C 0.144 174.429 174.700 -0.693 0.000 1.039 4151 T CA 1.090 62.879 62.100 -0.518 0.000 1.142 4151 T CB -0.274 68.191 68.868 -0.673 0.000 0.866 4151 T HN 0.413 nan 8.240 nan 0.000 0.444 4152 Y N 1.719 121.806 120.300 -0.356 0.000 2.350 4152 Y HA 0.453 5.003 4.550 0.000 0.000 0.340 4152 Y C 0.126 175.706 175.900 -0.534 0.000 1.006 4152 Y CA -1.913 55.777 58.100 -0.682 0.000 1.166 4152 Y CB 0.394 38.152 38.460 -1.169 0.000 1.168 4152 Y HN -0.066 nan 8.280 nan 0.000 0.502 4153 D N 2.102 122.235 120.400 -0.445 0.000 2.274 4153 D HA 0.239 4.879 4.640 0.000 0.000 0.239 4153 D C 0.824 176.773 176.300 -0.584 0.000 1.104 4153 D CA -0.349 53.379 54.000 -0.452 0.000 0.840 4153 D CB 1.667 42.313 40.800 -0.257 0.000 1.100 4153 D HN 0.821 nan 8.370 nan 0.000 0.477 4154 G N 3.023 111.102 108.800 -1.201 0.000 3.141 4154 G HA2 -0.078 3.882 3.960 0.000 0.000 0.218 4154 G HA3 -0.078 3.882 3.960 0.000 0.000 0.218 4154 G C 1.296 175.957 174.900 -0.399 0.000 1.170 4154 G CA -0.109 44.622 45.100 -0.614 0.000 0.769 4154 G HN 0.482 nan 8.290 nan 0.000 0.546 4155 L N 1.625 122.593 121.223 -0.426 0.000 2.021 4155 L HA -0.056 4.284 4.340 0.000 0.000 0.215 4155 L C 2.750 179.569 176.870 -0.085 0.000 1.074 4155 L CA 2.639 57.425 54.840 -0.091 0.000 0.760 4155 L CB -0.649 41.401 42.059 -0.017 0.000 0.889 4155 L HN 0.194 nan 8.230 nan 0.000 0.433 4156 A N -1.132 121.624 122.820 -0.107 0.000 1.898 4156 A HA -0.070 4.250 4.320 0.000 0.000 0.214 4156 A C 2.184 179.661 177.584 -0.179 0.000 1.183 4156 A CA 1.386 53.331 52.037 -0.154 0.000 0.622 4156 A CB -0.880 18.017 19.000 -0.171 0.000 0.824 4156 A HN 0.506 nan 8.150 nan 0.000 0.444 4157 L N -0.098 121.051 121.223 -0.124 0.000 2.056 4157 L HA 0.018 4.358 4.340 0.000 0.000 0.207 4157 L C 2.542 179.392 176.870 -0.033 0.000 1.078 4157 L CA 2.241 57.020 54.840 -0.101 0.000 0.749 4157 L CB -0.830 41.157 42.059 -0.120 0.000 0.901 4157 L HN 0.302 nan 8.230 nan 0.000 0.433 4158 A N -0.324 122.493 122.820 -0.004 0.000 1.873 4158 A HA -0.038 4.282 4.320 0.000 0.000 0.215 4158 A C 2.445 180.018 177.584 -0.018 0.000 1.186 4158 A CA 1.836 53.897 52.037 0.040 0.000 0.616 4158 A CB -1.209 17.862 19.000 0.119 0.000 0.823 4158 A HN 0.590 nan 8.150 nan 0.000 0.442 4159 A N -1.222 121.529 122.820 -0.114 0.000 1.873 4159 A HA -0.145 4.175 4.320 0.000 0.000 0.215 4159 A C 2.092 179.441 177.584 -0.391 0.000 1.186 4159 A CA 1.475 53.308 52.037 -0.341 0.000 0.616 4159 A CB -0.941 17.701 19.000 -0.597 0.000 0.823 4159 A HN 0.705 nan 8.150 nan 0.000 0.442 4160 H N -0.836 118.000 119.070 -0.390 0.000 2.299 4160 H HA -0.037 4.519 4.556 0.000 0.000 0.302 4160 H C 1.222 176.531 175.328 -0.030 0.000 1.078 4160 H CA 1.431 57.383 56.048 -0.160 0.000 1.323 4160 H CB 0.169 29.783 29.762 -0.246 0.000 1.381 4160 H HN 0.382 nan 8.280 nan 0.000 0.498 4161 E N 0.786 121.033 120.200 0.078 0.000 2.479 4161 E HA -0.047 4.303 4.350 0.000 0.000 0.193 4161 E C -0.061 176.569 176.600 0.049 0.000 1.049 4161 E CA -0.152 56.284 56.400 0.060 0.000 0.870 4161 E CB -0.437 29.293 29.700 0.050 0.000 0.944 4161 E HN 0.362 nan 8.360 nan 0.000 0.492 4162 N N 0.331 119.056 118.700 0.042 0.000 2.671 4162 N HA -0.182 4.558 4.740 0.000 0.000 0.261 4162 N C -1.016 174.527 175.510 0.055 0.000 1.053 4162 N CA 0.784 53.863 53.050 0.049 0.000 0.732 4162 N CB -1.171 37.349 38.487 0.056 0.000 0.887 4162 N HN 0.035 nan 8.380 nan 0.000 0.546 4163 V N -2.517 117.435 119.914 0.063 0.000 3.159 4163 V HA 0.798 4.918 4.120 0.000 0.000 0.308 4163 V C 0.173 176.334 176.094 0.113 0.000 1.190 4163 V CA -1.073 61.271 62.300 0.074 0.000 1.037 4163 V CB 2.240 34.096 31.823 0.054 0.000 1.060 4163 V HN -0.026 nan 8.190 nan 0.000 0.437 4164 V N 2.253 122.245 119.914 0.131 0.000 2.385 4164 V HA 0.447 4.567 4.120 0.000 0.000 0.269 4164 V C 0.120 176.338 176.094 0.207 0.000 1.043 4164 V CA -0.331 62.077 62.300 0.180 0.000 0.906 4164 V CB 1.133 33.062 31.823 0.176 0.000 0.995 4164 V HN 0.710 nan 8.190 nan 0.000 0.467 4165 V N 6.105 126.183 119.914 0.273 0.000 2.427 4165 V HA 0.449 4.569 4.120 0.000 0.000 0.286 4165 V C -0.097 176.240 176.094 0.405 0.000 1.034 4165 V CA -0.391 62.117 62.300 0.346 0.000 0.893 4165 V CB 1.927 33.956 31.823 0.343 0.000 0.982 4165 V HN 0.617 nan 8.190 nan 0.000 0.452 4166 V N 4.228 124.379 119.914 0.396 0.000 2.409 4166 V HA 0.425 4.545 4.120 0.000 0.000 0.290 4166 V C 0.135 176.457 176.094 0.380 0.000 1.017 4166 V CA -0.559 61.941 62.300 0.333 0.000 0.841 4166 V CB 2.076 34.040 31.823 0.236 0.000 1.003 4166 V HN 0.992 nan 8.190 nan 0.000 0.426 4167 T N 3.992 118.772 114.554 0.377 0.000 2.749 4167 T HA 0.787 5.137 4.350 0.000 0.000 0.287 4167 T C -0.323 174.542 174.700 0.275 0.000 0.970 4167 T CA -0.466 61.866 62.100 0.386 0.000 0.980 4167 T CB 1.222 70.336 68.868 0.411 0.000 0.924 4167 T HN 0.647 nan 8.240 nan 0.000 0.456 4168 I N 0.298 121.013 120.570 0.242 0.000 2.863 4168 I HA 0.669 4.839 4.170 0.000 0.000 0.311 4168 I C -0.584 175.723 176.117 0.317 0.000 1.026 4168 I CA -1.273 60.123 61.300 0.159 0.000 1.077 4168 I CB 2.016 39.989 38.000 -0.044 0.000 1.262 4168 I HN 0.563 nan 8.210 nan 0.000 0.461 4169 Q N 1.777 121.788 119.800 0.351 0.000 2.445 4169 Q HA 0.616 4.956 4.340 0.000 0.000 0.281 4169 Q C -1.886 174.438 176.000 0.540 0.000 1.101 4169 Q CA -0.801 55.265 55.803 0.439 0.000 0.833 4169 Q CB 2.771 31.696 28.738 0.311 0.000 1.416 4169 Q HN 0.734 nan 8.270 nan 0.000 0.451 4170 Y N -3.080 117.398 120.300 0.296 0.000 2.641 4170 Y HA 0.471 5.021 4.550 0.000 0.000 0.333 4170 Y C -1.240 174.762 175.900 0.169 0.000 1.174 4170 Y CA -1.373 56.859 58.100 0.222 0.000 1.057 4170 Y CB 0.731 39.260 38.460 0.114 0.000 1.322 4170 Y HN 0.410 nan 8.280 nan 0.000 0.457 4171 R N 2.171 122.785 120.500 0.191 0.000 2.522 4171 R HA 0.443 4.783 4.340 0.000 0.000 0.284 4171 R C -0.936 175.458 176.300 0.156 0.000 1.032 4171 R CA 0.099 56.261 56.100 0.103 0.000 1.049 4171 R CB 0.218 30.600 30.300 0.137 0.000 0.956 4171 R HN 0.675 nan 8.270 nan 0.000 0.422 4172 L N 1.503 122.811 121.223 0.142 0.000 2.286 4172 L HA 0.592 4.932 4.340 0.000 0.000 0.265 4172 L C 1.089 178.204 176.870 0.409 0.000 1.012 4172 L CA -0.617 54.387 54.840 0.273 0.000 0.818 4172 L CB 1.510 43.615 42.059 0.077 0.000 1.337 4172 L HN 0.867 nan 8.230 nan 0.000 0.438 4173 G N 0.263 109.305 108.800 0.404 0.000 2.598 4173 G HA2 -0.298 3.662 3.960 0.000 0.000 0.269 4173 G HA3 -0.298 3.662 3.960 0.000 0.000 0.269 4173 G C 0.756 175.961 174.900 0.510 0.000 1.289 4173 G CA 0.341 45.672 45.100 0.384 0.000 0.926 4173 G HN 0.691 nan 8.290 nan 0.000 0.567 4174 I N -0.613 120.224 120.570 0.446 0.000 2.185 4174 I HA -0.267 3.904 4.170 0.000 0.000 0.246 4174 I C 2.792 179.214 176.117 0.510 0.000 1.088 4174 I CA 2.591 64.106 61.300 0.357 0.000 1.347 4174 I CB -0.349 37.651 38.000 0.001 0.000 1.041 4174 I HN 0.570 nan 8.210 nan 0.000 0.415 4175 W N 0.627 122.104 121.300 0.294 0.000 2.342 4175 W HA -0.132 4.528 4.660 0.000 0.000 0.297 4175 W C 2.340 179.004 176.519 0.241 0.000 1.213 4175 W CA 1.224 58.654 57.345 0.142 0.000 1.251 4175 W CB -0.717 28.738 29.460 -0.008 0.000 1.136 4175 W HN 0.263 nan 8.180 nan 0.000 0.526 4176 G N -2.537 106.562 108.800 0.497 0.000 3.020 4176 G HA2 0.074 4.034 3.960 0.000 0.000 0.217 4176 G HA3 0.074 4.034 3.960 0.000 0.000 0.217 4176 G C 0.648 175.345 174.900 -0.339 0.000 1.144 4176 G CA 0.023 45.209 45.100 0.144 0.000 0.760 4176 G HN 0.139 nan 8.290 nan 0.000 0.548 4177 F N -1.044 119.153 119.950 0.413 0.000 2.915 4177 F HA 0.402 4.929 4.527 0.000 0.000 0.347 4177 F C 0.337 176.232 175.800 0.158 0.000 1.104 4177 F CA -1.633 56.462 58.000 0.158 0.000 1.126 4177 F CB 0.270 39.307 39.000 0.061 0.000 1.145 4177 F HN 0.003 nan 8.300 nan 0.000 0.541 4178 F N 2.068 122.241 119.950 0.370 0.000 2.607 4178 F HA 0.343 4.870 4.527 0.000 0.000 0.374 4178 F C 0.432 176.305 175.800 0.122 0.000 1.104 4178 F CA 0.459 58.579 58.000 0.200 0.000 1.296 4178 F CB 0.524 39.583 39.000 0.099 0.000 1.085 4178 F HN -0.096 nan 8.300 nan 0.000 0.584 4179 S N 3.145 118.259 115.700 -0.977 0.000 2.546 4179 S HA 0.353 4.823 4.470 0.000 0.000 0.272 4179 S C 0.181 174.323 174.600 -0.764 0.000 1.140 4179 S CA -0.083 57.707 58.200 -0.685 0.000 0.920 4179 S CB 1.381 64.382 63.200 -0.332 0.000 1.083 4179 S HN 0.853 nan 8.310 nan 0.000 0.476 4180 T N 0.605 114.898 114.554 -0.435 0.000 3.069 4180 T HA 0.421 4.771 4.350 0.000 0.000 0.252 4180 T C 1.486 176.117 174.700 -0.114 0.000 1.053 4180 T CA 0.627 62.589 62.100 -0.229 0.000 0.964 4180 T CB 0.035 68.882 68.868 -0.036 0.000 1.005 4180 T HN 1.834 nan 8.240 nan 0.000 0.532 4181 G N 2.235 110.959 108.800 -0.127 0.000 2.179 4181 G HA2 -0.218 3.742 3.960 0.000 0.000 0.260 4181 G HA3 -0.218 3.742 3.960 0.000 0.000 0.260 4181 G C -0.268 174.607 174.900 -0.042 0.000 0.977 4181 G CA 0.360 45.411 45.100 -0.081 0.000 0.641 4181 G HN 0.909 nan 8.290 nan 0.000 0.533 4182 D N -1.346 119.047 120.400 -0.013 0.000 2.636 4182 D HA 0.444 5.084 4.640 0.000 0.000 0.275 4182 D C 1.331 177.624 176.300 -0.011 0.000 1.130 4182 D CA -0.110 53.887 54.000 -0.004 0.000 1.031 4182 D CB -0.126 40.694 40.800 0.034 0.000 1.451 4182 D HN 0.138 nan 8.370 nan 0.000 0.505 4183 E N 0.073 120.222 120.200 -0.085 0.000 2.339 4183 E HA -0.285 4.065 4.350 0.000 0.000 0.201 4183 E C 0.810 177.352 176.600 -0.098 0.000 1.015 4183 E CA 1.376 57.707 56.400 -0.114 0.000 0.841 4183 E CB -0.690 28.891 29.700 -0.197 0.000 0.754 4183 E HN 0.526 nan 8.360 nan 0.000 0.508 4184 H N 0.195 119.319 119.070 0.091 0.000 2.546 4184 H HA 0.160 4.716 4.556 0.000 0.000 0.277 4184 H C 0.363 175.798 175.328 0.180 0.000 1.004 4184 H CA 1.173 57.290 56.048 0.114 0.000 1.231 4184 H CB 0.380 30.193 29.762 0.085 0.000 1.382 4184 H HN 0.148 nan 8.280 nan 0.000 0.580 4185 S N -0.432 115.447 115.700 0.298 0.000 2.888 4185 S HA 0.118 4.588 4.470 0.000 0.000 0.145 4185 S C 0.792 175.558 174.600 0.276 0.000 0.705 4185 S CA -0.578 57.897 58.200 0.458 0.000 0.891 4185 S CB -0.075 63.364 63.200 0.398 0.000 1.592 4185 S HN 0.208 nan 8.310 nan 0.000 0.514 4186 R N 1.543 122.157 120.500 0.191 0.000 2.119 4186 R HA 0.116 4.456 4.340 0.000 0.000 0.246 4186 R C 1.431 177.501 176.300 -0.384 0.000 1.146 4186 R CA 1.407 57.438 56.100 -0.115 0.000 0.962 4186 R CB -0.331 29.901 30.300 -0.114 0.000 0.863 4186 R HN 0.990 nan 8.270 nan 0.000 0.442 4187 G N -0.597 107.647 108.800 -0.928 0.000 2.592 4187 G HA2 -0.199 3.761 3.960 0.000 0.000 0.684 4187 G HA3 -0.199 3.761 3.960 0.000 0.000 0.684 4187 G C -0.594 173.600 174.900 -1.176 0.000 1.291 4187 G CA -0.417 44.050 45.100 -1.055 0.000 0.891 4187 G HN 0.263 nan 8.290 nan 0.000 0.544 4188 N N -1.553 116.747 118.700 -0.667 0.000 2.829 4188 N HA -0.182 4.558 4.740 0.000 0.000 0.250 4188 N C 1.112 176.376 175.510 -0.411 0.000 1.090 4188 N CA 1.909 54.771 53.050 -0.313 0.000 0.781 4188 N CB -1.706 36.733 38.487 -0.079 0.000 1.124 4188 N HN 0.753 nan 8.380 nan 0.000 0.559 4189 W N 0.423 121.574 121.300 -0.248 0.000 2.350 4189 W HA -0.064 4.596 4.660 0.000 0.000 0.289 4189 W C 2.368 178.739 176.519 -0.247 0.000 1.215 4189 W CA 0.625 57.871 57.345 -0.164 0.000 1.236 4189 W CB -0.407 29.008 29.460 -0.075 0.000 1.130 4189 W HN 0.311 nan 8.180 nan 0.000 0.541 4190 G N -0.469 108.028 108.800 -0.506 0.000 2.403 4190 G HA2 -0.214 3.746 3.960 0.000 0.000 0.216 4190 G HA3 -0.214 3.746 3.960 0.000 0.000 0.216 4190 G C 1.205 176.026 174.900 -0.133 0.000 1.154 4190 G CA 0.926 45.860 45.100 -0.276 0.000 0.784 4190 G HN 0.302 nan 8.290 nan 0.000 0.538 4191 H N 0.311 119.362 119.070 -0.031 0.000 2.428 4191 H HA 0.132 4.688 4.556 0.000 0.000 0.296 4191 H C 2.641 177.983 175.328 0.023 0.000 1.062 4191 H CA 0.595 56.633 56.048 -0.016 0.000 1.350 4191 H CB -0.031 29.741 29.762 0.018 0.000 1.403 4191 H HN 0.271 nan 8.280 nan 0.000 0.533 4192 L N 0.439 121.766 121.223 0.173 0.000 2.093 4192 L HA -0.133 4.207 4.340 0.000 0.000 0.208 4192 L C 1.982 178.979 176.870 0.212 0.000 1.085 4192 L CA 0.940 55.892 54.840 0.188 0.000 0.755 4192 L CB -0.288 41.910 42.059 0.232 0.000 0.904 4192 L HN 0.099 nan 8.230 nan 0.000 0.435 4193 D N 0.096 120.638 120.400 0.238 0.000 2.144 4193 D HA -0.187 4.453 4.640 0.000 0.000 0.199 4193 D C 2.271 178.734 176.300 0.271 0.000 0.984 4193 D CA 1.147 55.367 54.000 0.366 0.000 0.834 4193 D CB -0.081 40.967 40.800 0.414 0.000 0.955 4193 D HN 0.460 nan 8.370 nan 0.000 0.465 4194 Q N 0.297 120.160 119.800 0.105 0.000 2.016 4194 Q HA -0.072 4.268 4.340 0.000 0.000 0.200 4194 Q C 2.523 178.513 176.000 -0.017 0.000 0.978 4194 Q CA 0.795 56.571 55.803 -0.044 0.000 0.833 4194 Q CB -0.101 28.569 28.738 -0.113 0.000 0.895 4194 Q HN 0.106 nan 8.270 nan 0.000 0.427 4195 V N 1.589 121.539 119.914 0.060 0.000 2.250 4195 V HA -0.364 3.756 4.120 0.000 0.000 0.250 4195 V C 2.383 178.544 176.094 0.111 0.000 1.060 4195 V CA 2.037 64.389 62.300 0.087 0.000 1.030 4195 V CB -1.252 30.639 31.823 0.114 0.000 0.643 4195 V HN 0.467 nan 8.190 nan 0.000 0.445 4196 A N -0.010 122.912 122.820 0.170 0.000 1.892 4196 A HA -0.244 4.076 4.320 0.000 0.000 0.218 4196 A C 2.435 180.154 177.584 0.226 0.000 1.188 4196 A CA 2.740 54.933 52.037 0.260 0.000 0.631 4196 A CB -0.977 18.266 19.000 0.406 0.000 0.822 4196 A HN 0.666 nan 8.150 nan 0.000 0.447 4197 A N -0.542 122.228 122.820 -0.084 0.000 1.902 4197 A HA -0.034 4.286 4.320 0.000 0.000 0.217 4197 A C 2.163 179.753 177.584 0.009 0.000 1.181 4197 A CA 1.503 53.309 52.037 -0.384 0.000 0.623 4197 A CB -0.598 17.819 19.000 -0.972 0.000 0.818 4197 A HN 0.491 nan 8.150 nan 0.000 0.443 4198 L N -1.272 119.966 121.223 0.025 0.000 2.131 4198 L HA -0.150 4.190 4.340 0.000 0.000 0.210 4198 L C 2.758 179.711 176.870 0.138 0.000 1.092 4198 L CA 1.585 56.480 54.840 0.092 0.000 0.759 4198 L CB -0.379 41.730 42.059 0.082 0.000 0.903 4198 L HN 0.468 nan 8.230 nan 0.000 0.435 4199 R N -0.573 120.021 120.500 0.156 0.000 2.090 4199 R HA -0.215 4.125 4.340 0.000 0.000 0.228 4199 R C 2.224 178.638 176.300 0.191 0.000 1.110 4199 R CA 1.335 57.526 56.100 0.153 0.000 0.973 4199 R CB -0.343 30.052 30.300 0.158 0.000 0.869 4199 R HN 0.385 nan 8.270 nan 0.000 0.440 4200 W N 0.175 121.534 121.300 0.098 0.000 2.402 4200 W HA -0.143 4.517 4.660 0.000 0.000 0.286 4200 W C 1.509 178.082 176.519 0.091 0.000 1.221 4200 W CA 1.054 58.476 57.345 0.127 0.000 1.257 4200 W CB -0.008 29.572 29.460 0.199 0.000 1.120 4200 W HN -0.144 nan 8.180 nan 0.000 0.551 4201 V N 0.984 121.114 119.914 0.360 0.000 2.407 4201 V HA -0.327 3.793 4.120 0.000 0.000 0.248 4201 V C 2.462 178.566 176.094 0.017 0.000 1.055 4201 V CA 1.957 64.389 62.300 0.220 0.000 1.049 4201 V CB -0.856 31.106 31.823 0.232 0.000 0.662 4201 V HN 0.226 nan 8.190 nan 0.000 0.455 4202 Q N -0.197 119.616 119.800 0.020 0.000 2.167 4202 Q HA -0.156 4.184 4.340 0.000 0.000 0.202 4202 Q C 1.531 177.474 176.000 -0.095 0.000 0.970 4202 Q CA 1.315 57.111 55.803 -0.012 0.000 0.855 4202 Q CB -0.215 28.531 28.738 0.014 0.000 0.911 4202 Q HN 0.709 nan 8.270 nan 0.000 0.438 4203 D N -0.894 119.387 120.400 -0.198 0.000 2.369 4203 D HA 0.075 4.715 4.640 0.000 0.000 0.211 4203 D C 0.875 176.937 176.300 -0.397 0.000 1.077 4203 D CA 0.115 53.957 54.000 -0.264 0.000 0.842 4203 D CB 0.333 40.971 40.800 -0.271 0.000 0.947 4203 D HN 0.223 nan 8.370 nan 0.000 0.509 4204 N N 0.061 118.447 118.700 -0.524 0.000 2.272 4204 N HA 0.013 4.753 4.740 0.000 0.000 0.228 4204 N C 1.575 176.975 175.510 -0.183 0.000 1.206 4204 N CA -0.231 52.475 53.050 -0.574 0.000 0.855 4204 N CB 0.903 38.505 38.487 -1.474 0.000 1.248 4204 N HN -0.058 nan 8.380 nan 0.000 0.476 4205 I N 2.848 123.358 120.570 -0.101 0.000 2.399 4205 I HA -0.186 3.984 4.170 0.000 0.000 0.254 4205 I C 2.183 178.406 176.117 0.177 0.000 1.146 4205 I CA 0.750 62.131 61.300 0.135 0.000 1.412 4205 I CB -0.341 37.727 38.000 0.114 0.000 1.076 4205 I HN 0.104 nan 8.210 nan 0.000 0.432 4206 A N -1.264 121.590 122.820 0.056 0.000 1.972 4206 A HA -0.177 4.143 4.320 0.000 0.000 0.219 4206 A C 2.434 180.025 177.584 0.013 0.000 1.169 4206 A CA 1.908 53.963 52.037 0.029 0.000 0.635 4206 A CB -0.872 18.114 19.000 -0.024 0.000 0.810 4206 A HN 0.420 nan 8.150 nan 0.000 0.446 4207 S N -1.231 114.443 115.700 -0.043 0.000 2.507 4207 S HA 0.016 4.486 4.470 0.000 0.000 0.235 4207 S C 0.624 175.014 174.600 -0.350 0.000 0.988 4207 S CA 0.732 58.795 58.200 -0.229 0.000 0.944 4207 S CB -0.391 62.576 63.200 -0.389 0.000 0.762 4207 S HN 0.578 nan 8.310 nan 0.000 0.526 4208 F N 0.320 120.252 119.950 -0.030 0.000 2.639 4208 F HA 0.371 4.898 4.527 0.000 0.000 0.302 4208 F C 1.609 177.454 175.800 0.075 0.000 1.097 4208 F CA -0.016 57.994 58.000 0.018 0.000 1.294 4208 F CB 0.237 39.248 39.000 0.019 0.000 1.027 4208 F HN 0.194 nan 8.300 nan 0.000 0.550 4209 G N 0.331 109.238 108.800 0.177 0.000 2.157 4209 G HA2 -0.185 3.775 3.960 0.000 0.000 0.248 4209 G HA3 -0.185 3.775 3.960 0.000 0.000 0.248 4209 G C 0.626 175.605 174.900 0.131 0.000 0.979 4209 G CA -0.217 44.965 45.100 0.136 0.000 0.650 4209 G HN 0.736 nan 8.290 nan 0.000 0.529 4210 G N -0.503 108.388 108.800 0.153 0.000 2.504 4210 G HA2 0.499 4.459 3.960 0.000 0.000 0.288 4210 G HA3 0.499 4.459 3.960 0.000 0.000 0.288 4210 G C -0.304 174.639 174.900 0.073 0.000 1.182 4210 G CA 0.033 45.206 45.100 0.122 0.000 0.894 4210 G HN 0.611 nan 8.290 nan 0.000 0.521 4211 N N 0.822 119.552 118.700 0.050 0.000 2.511 4211 N HA 0.344 5.084 4.740 0.000 0.000 0.249 4211 N C -1.118 174.400 175.510 0.013 0.000 0.971 4211 N CA -2.334 50.724 53.050 0.013 0.000 0.938 4211 N CB 2.276 40.752 38.487 -0.017 0.000 1.131 4211 N HN 0.105 nan 8.380 nan 0.000 0.505 4212 P HA -0.031 nan 4.420 nan 0.000 0.223 4212 P C 0.788 178.137 177.300 0.081 0.000 1.144 4212 P CA 0.805 63.940 63.100 0.058 0.000 0.783 4212 P CB 0.186 31.903 31.700 0.029 0.000 0.771 4213 G N -1.025 107.726 108.800 -0.082 0.000 3.141 4213 G HA2 0.037 3.997 3.960 0.000 0.000 0.218 4213 G HA3 0.037 3.997 3.960 0.000 0.000 0.218 4213 G C 0.734 175.106 174.900 -0.880 0.000 1.170 4213 G CA 0.106 44.991 45.100 -0.358 0.000 0.769 4213 G HN 0.309 nan 8.290 nan 0.000 0.546 4214 S N 0.134 115.582 115.700 -0.420 0.000 2.694 4214 S HA 0.350 4.820 4.470 0.000 0.000 0.232 4214 S C -0.423 174.207 174.600 0.049 0.000 1.017 4214 S CA -0.322 57.717 58.200 -0.269 0.000 1.139 4214 S CB 0.244 63.346 63.200 -0.163 0.000 1.247 4214 S HN -0.062 nan 8.310 nan 0.000 0.452 4215 V N 2.905 123.036 119.914 0.362 0.000 2.432 4215 V HA 0.420 4.540 4.120 0.000 0.000 0.271 4215 V C 0.347 176.587 176.094 0.242 0.000 1.046 4215 V CA 0.185 62.651 62.300 0.276 0.000 0.945 4215 V CB 1.378 33.361 31.823 0.267 0.000 0.992 4215 V HN 0.527 nan 8.190 nan 0.000 0.471 4216 T N 6.799 121.428 114.554 0.125 0.000 2.859 4216 T HA 0.685 5.035 4.350 0.000 0.000 0.281 4216 T C -0.231 174.513 174.700 0.074 0.000 1.005 4216 T CA -0.253 61.892 62.100 0.074 0.000 1.025 4216 T CB 1.330 70.171 68.868 -0.044 0.000 0.977 4216 T HN 0.619 nan 8.240 nan 0.000 0.458 4217 I N 0.604 121.208 120.570 0.057 0.000 2.530 4217 I HA 0.909 5.079 4.170 0.000 0.000 0.297 4217 I C -1.296 174.970 176.117 0.249 0.000 1.011 4217 I CA -1.273 60.086 61.300 0.099 0.000 1.107 4217 I CB 1.777 39.661 38.000 -0.193 0.000 1.285 4217 I HN 0.535 nan 8.210 nan 0.000 0.436 4218 F N 2.495 122.439 119.950 -0.009 0.000 2.628 4218 F HA 0.977 5.504 4.527 0.000 0.000 0.309 4218 F C -0.541 175.049 175.800 -0.350 0.000 1.108 4218 F CA -1.705 56.296 58.000 0.003 0.000 0.971 4218 F CB 1.073 40.242 39.000 0.281 0.000 1.279 4218 F HN 0.824 nan 8.300 nan 0.000 0.441 4219 G N 0.866 109.381 108.800 -0.476 0.000 2.708 4219 G HA2 0.555 4.515 3.960 0.000 0.000 0.289 4219 G HA3 0.555 4.515 3.960 0.000 0.000 0.289 4219 G C -2.273 172.261 174.900 -0.611 0.000 1.416 4219 G CA -0.756 43.678 45.100 -1.111 0.000 0.829 4219 G HN 0.792 nan 8.290 nan 0.000 0.480 4220 E N -0.078 119.804 120.200 -0.530 0.000 2.266 4220 E HA 0.588 4.938 4.350 0.000 0.000 0.268 4220 E C 0.613 177.229 176.600 0.027 0.000 0.879 4220 E CA 0.387 56.748 56.400 -0.065 0.000 0.762 4220 E CB 2.077 31.872 29.700 0.159 0.000 1.199 4220 E HN 1.095 nan 8.360 nan 0.000 0.422 4221 S N 3.620 119.394 115.700 0.123 0.000 4.151 4221 S HA -0.382 4.088 4.470 0.000 0.000 0.617 4221 S C 1.392 176.085 174.600 0.155 0.000 1.878 4221 S CA 2.274 60.632 58.200 0.262 0.000 4.245 4221 S CB -1.725 61.710 63.200 0.392 0.000 0.205 4221 S HN 1.029 nan 8.310 nan 0.000 0.468 4222 A N 1.673 124.564 122.820 0.118 0.000 2.119 4222 A HA 0.430 4.750 4.320 0.000 0.000 0.216 4222 A C 2.490 180.042 177.584 -0.053 0.000 1.152 4222 A CA 1.780 53.840 52.037 0.037 0.000 0.708 4222 A CB -1.453 17.570 19.000 0.038 0.000 0.805 4222 A HN 1.649 nan 8.150 nan 0.000 0.460 4223 G N -0.061 108.671 108.800 -0.114 0.000 2.404 4223 G HA2 0.059 4.019 3.960 0.000 0.000 0.215 4223 G HA3 0.059 4.019 3.960 0.000 0.000 0.215 4223 G C 1.521 176.277 174.900 -0.240 0.000 1.174 4223 G CA 1.086 46.007 45.100 -0.299 0.000 0.780 4223 G HN 0.600 nan 8.290 nan 0.000 0.537 4224 G N 0.375 109.086 108.800 -0.148 0.000 2.418 4224 G HA2 -0.195 3.765 3.960 0.000 0.000 0.217 4224 G HA3 -0.195 3.765 3.960 0.000 0.000 0.217 4224 G C 1.587 176.472 174.900 -0.026 0.000 1.158 4224 G CA 1.190 46.254 45.100 -0.060 0.000 0.771 4224 G HN 0.435 nan 8.290 nan 0.000 0.545 4225 E N 0.891 121.085 120.200 -0.011 0.000 2.153 4225 E HA -0.090 4.260 4.350 0.000 0.000 0.194 4225 E C 2.503 179.073 176.600 -0.049 0.000 0.988 4225 E CA 1.134 57.525 56.400 -0.015 0.000 0.811 4225 E CB -0.213 29.485 29.700 -0.003 0.000 0.746 4225 E HN 0.351 nan 8.360 nan 0.000 0.466 4226 S N -0.001 115.666 115.700 -0.055 0.000 2.355 4226 S HA -0.100 4.370 4.470 0.000 0.000 0.222 4226 S C 2.143 176.655 174.600 -0.148 0.000 1.031 4226 S CA 1.069 59.242 58.200 -0.045 0.000 0.993 4226 S CB -0.209 62.913 63.200 -0.131 0.000 0.859 4226 S HN 0.137 nan 8.310 nan 0.000 0.453 4227 V N 1.454 121.262 119.914 -0.177 0.000 2.282 4227 V HA -0.200 3.920 4.120 0.000 0.000 0.249 4227 V C 2.605 178.561 176.094 -0.229 0.000 1.057 4227 V CA 2.120 64.279 62.300 -0.234 0.000 1.032 4227 V CB -0.937 30.793 31.823 -0.154 0.000 0.645 4227 V HN 0.551 nan 8.190 nan 0.000 0.447 4228 S N -0.638 114.996 115.700 -0.111 0.000 2.359 4228 S HA -0.189 4.282 4.470 0.000 0.000 0.224 4228 S C 1.968 176.487 174.600 -0.135 0.000 1.035 4228 S CA 1.956 60.109 58.200 -0.077 0.000 1.018 4228 S CB -0.261 62.951 63.200 0.021 0.000 0.876 4228 S HN 0.318 nan 8.310 nan 0.000 0.448 4229 V N 1.686 121.503 119.914 -0.162 0.000 2.515 4229 V HA -0.080 4.040 4.120 0.000 0.000 0.250 4229 V C 2.243 178.244 176.094 -0.155 0.000 1.058 4229 V CA 1.546 63.721 62.300 -0.208 0.000 1.064 4229 V CB -0.503 31.082 31.823 -0.397 0.000 0.675 4229 V HN 0.484 nan 8.190 nan 0.000 0.461 4230 L N -0.839 120.303 121.223 -0.135 0.000 2.179 4230 L HA -0.063 4.277 4.340 0.000 0.000 0.208 4230 L C 2.324 179.350 176.870 0.261 0.000 1.096 4230 L CA 0.743 55.578 54.840 -0.008 0.000 0.779 4230 L CB -0.436 41.540 42.059 -0.138 0.000 0.922 4230 L HN 0.190 nan 8.230 nan 0.000 0.443 4231 V N 0.246 120.246 119.914 0.144 0.000 2.867 4231 V HA -0.231 3.889 4.120 0.000 0.000 0.260 4231 V C 1.970 178.159 176.094 0.159 0.000 1.099 4231 V CA 1.376 63.906 62.300 0.384 0.000 1.122 4231 V CB -0.374 31.408 31.823 -0.067 0.000 0.708 4231 V HN 0.407 nan 8.190 nan 0.000 0.490 4232 L N -1.310 119.927 121.223 0.023 0.000 2.609 4232 L HA 0.240 4.580 4.340 0.000 0.000 0.230 4232 L C 1.232 178.067 176.870 -0.058 0.000 1.087 4232 L CA 0.174 54.991 54.840 -0.039 0.000 0.874 4232 L CB 0.226 42.245 42.059 -0.066 0.000 1.114 4232 L HN 0.199 nan 8.230 nan 0.000 0.488 4233 S N 0.328 116.032 115.700 0.007 0.000 2.565 4233 S HA 0.238 4.708 4.470 0.000 0.000 0.274 4233 S C -1.667 172.988 174.600 0.091 0.000 1.309 4233 S CA -1.169 57.052 58.200 0.035 0.000 1.043 4233 S CB 1.230 64.457 63.200 0.045 0.000 0.939 4233 S HN -0.121 nan 8.310 nan 0.000 0.504 4234 P HA 0.038 nan 4.420 nan 0.000 0.220 4234 P C 1.267 178.630 177.300 0.105 0.000 1.152 4234 P CA 0.791 63.931 63.100 0.067 0.000 0.812 4234 P CB 0.026 31.743 31.700 0.028 0.000 0.792 4235 L N -1.006 120.274 121.223 0.095 0.000 2.127 4235 L HA -0.140 4.200 4.340 0.000 0.000 0.211 4235 L C 2.189 179.126 176.870 0.112 0.000 1.089 4235 L CA 1.556 56.451 54.840 0.093 0.000 0.757 4235 L CB -1.078 41.032 42.059 0.085 0.000 0.899 4235 L HN -0.031 nan 8.230 nan 0.000 0.434 4236 A N -0.533 122.391 122.820 0.174 0.000 2.251 4236 A HA -0.021 4.299 4.320 0.000 0.000 0.209 4236 A C 1.124 178.716 177.584 0.012 0.000 1.187 4236 A CA -0.198 51.946 52.037 0.178 0.000 0.823 4236 A CB -0.214 18.988 19.000 0.337 0.000 0.846 4236 A HN 0.213 nan 8.150 nan 0.000 0.486 4237 K N 1.508 121.953 120.400 0.076 0.000 2.543 4237 K HA -0.114 4.206 4.320 0.000 0.000 0.279 4237 K C -0.388 176.082 176.600 -0.216 0.000 1.001 4237 K CA 0.636 56.890 56.287 -0.056 0.000 1.088 4237 K CB -0.044 32.505 32.500 0.083 0.000 0.863 4237 K HN 0.461 nan 8.250 nan 0.000 0.488 4238 N N 2.673 121.129 118.700 -0.406 0.000 2.735 4238 N HA -0.228 4.512 4.740 0.000 0.000 0.248 4238 N C 0.074 175.387 175.510 -0.329 0.000 1.083 4238 N CA 0.917 53.752 53.050 -0.358 0.000 0.703 4238 N CB -1.053 37.332 38.487 -0.170 0.000 1.005 4238 N HN 0.615 nan 8.380 nan 0.000 0.550 4239 L N -1.554 119.424 121.223 -0.410 0.000 2.672 4239 L HA 0.260 4.600 4.340 0.000 0.000 0.236 4239 L C 0.367 177.186 176.870 -0.085 0.000 1.092 4239 L CA 0.286 55.043 54.840 -0.140 0.000 0.887 4239 L CB 0.162 42.256 42.059 0.058 0.000 1.168 4239 L HN 0.161 nan 8.230 nan 0.000 0.502 4240 F N -4.229 115.454 119.950 -0.445 0.000 2.715 4240 F HA 0.486 5.013 4.527 0.000 0.000 0.318 4240 F C 0.591 175.958 175.800 -0.721 0.000 1.141 4240 F CA -0.971 56.770 58.000 -0.432 0.000 0.950 4240 F CB 0.795 39.671 39.000 -0.207 0.000 1.374 4240 F HN -0.137 nan 8.300 nan 0.000 0.477 4241 H N -0.946 118.138 119.070 0.023 0.000 3.535 4241 H HA 0.418 4.974 4.556 0.000 0.000 0.260 4241 H C -0.342 174.969 175.328 -0.028 0.000 1.173 4241 H CA -0.185 55.812 56.048 -0.085 0.000 1.168 4241 H CB 0.886 30.596 29.762 -0.087 0.000 1.568 4241 H HN 0.314 nan 8.280 nan 0.000 0.602 4242 R N 0.701 121.305 120.500 0.173 0.000 2.739 4242 R HA 0.749 5.089 4.340 0.000 0.000 0.271 4242 R C -1.188 175.247 176.300 0.225 0.000 1.010 4242 R CA -0.718 55.414 56.100 0.053 0.000 0.897 4242 R CB 2.466 32.625 30.300 -0.235 0.000 1.236 4242 R HN 0.131 nan 8.270 nan 0.000 0.466 4243 A N 1.748 124.739 122.820 0.286 0.000 2.520 4243 A HA 0.782 5.102 4.320 0.000 0.000 0.298 4243 A C -1.134 176.691 177.584 0.402 0.000 1.051 4243 A CA -0.662 51.491 52.037 0.194 0.000 0.690 4243 A CB 1.464 20.402 19.000 -0.103 0.000 1.281 4243 A HN 0.566 nan 8.150 nan 0.000 0.402 4244 I N 1.565 122.302 120.570 0.280 0.000 2.468 4244 I HA 0.339 4.509 4.170 0.000 0.000 0.285 4244 I C -0.254 176.012 176.117 0.248 0.000 1.039 4244 I CA -0.245 61.190 61.300 0.224 0.000 1.074 4244 I CB 2.288 40.344 38.000 0.094 0.000 1.228 4244 I HN 0.509 nan 8.210 nan 0.000 0.436 4245 S N 5.507 121.322 115.700 0.193 0.000 2.449 4245 S HA 0.431 4.901 4.470 0.000 0.000 0.310 4245 S C -0.650 173.979 174.600 0.049 0.000 1.096 4245 S CA -0.680 57.590 58.200 0.116 0.000 1.095 4245 S CB 1.124 64.395 63.200 0.118 0.000 1.007 4245 S HN 0.485 nan 8.310 nan 0.000 0.474 4246 E N 1.564 121.829 120.200 0.107 0.000 2.182 4246 E HA 0.427 4.777 4.350 0.000 0.000 0.258 4246 E C -0.597 176.027 176.600 0.039 0.000 0.879 4246 E CA -0.795 55.688 56.400 0.139 0.000 0.754 4246 E CB 1.326 31.218 29.700 0.321 0.000 1.162 4246 E HN 0.526 nan 8.360 nan 0.000 0.419 4247 S N 1.439 117.130 115.700 -0.015 0.000 3.783 4247 S HA -0.104 4.366 4.470 0.000 0.000 0.360 4247 S C 0.057 174.787 174.600 0.217 0.000 1.006 4247 S CA 0.560 58.737 58.200 -0.039 0.000 1.115 4247 S CB -1.160 61.825 63.200 -0.359 0.000 0.893 4247 S HN 0.992 nan 8.310 nan 0.000 0.475 4248 G N -0.856 108.074 108.800 0.216 0.000 2.318 4248 G HA2 0.551 4.511 3.960 0.000 0.000 0.306 4248 G HA3 0.551 4.511 3.960 0.000 0.000 0.306 4248 G C -0.902 174.049 174.900 0.086 0.000 1.696 4248 G CA 0.178 45.406 45.100 0.213 0.000 0.905 4248 G HN 1.496 nan 8.290 nan 0.000 0.700 4249 V N -1.097 118.845 119.914 0.047 0.000 3.202 4249 V HA 0.916 5.036 4.120 0.000 0.000 0.306 4249 V C 1.102 177.174 176.094 -0.036 0.000 1.283 4249 V CA -0.116 62.187 62.300 0.005 0.000 1.065 4249 V CB 1.243 33.055 31.823 -0.018 0.000 1.079 4249 V HN 2.118 nan 8.190 nan 0.000 0.448 4250 A N -0.043 122.743 122.820 -0.056 0.000 2.239 4250 A HA 0.297 4.617 4.320 0.000 0.000 0.209 4250 A C 1.313 178.838 177.584 -0.098 0.000 1.171 4250 A CA 1.053 53.038 52.037 -0.088 0.000 0.768 4250 A CB -0.714 18.223 19.000 -0.105 0.000 0.790 4250 A HN 0.831 nan 8.150 nan 0.000 0.478 4251 L N -0.028 121.139 121.223 -0.093 0.000 2.791 4251 L HA 0.102 4.442 4.340 0.000 0.000 0.239 4251 L C 0.134 176.920 176.870 -0.140 0.000 1.203 4251 L CA -0.035 54.740 54.840 -0.109 0.000 1.002 4251 L CB 0.181 42.187 42.059 -0.088 0.000 1.295 4251 L HN 0.079 nan 8.230 nan 0.000 0.504 4252 T N -0.455 114.011 114.554 -0.145 0.000 3.540 4252 T HA 0.017 4.367 4.350 0.000 0.000 0.269 4252 T C 1.535 176.113 174.700 -0.203 0.000 1.481 4252 T CA 0.310 62.291 62.100 -0.199 0.000 1.224 4252 T CB 0.270 69.037 68.868 -0.169 0.000 1.192 4252 T HN 0.465 nan 8.240 nan 0.000 0.756 4253 S N 0.698 116.269 115.700 -0.215 0.000 2.471 4253 S HA -0.231 4.239 4.470 0.000 0.000 0.260 4253 S C 2.012 176.487 174.600 -0.209 0.000 1.116 4253 S CA 1.765 59.832 58.200 -0.221 0.000 1.069 4253 S CB -0.875 62.160 63.200 -0.275 0.000 0.897 4253 S HN 0.485 nan 8.310 nan 0.000 0.471 4254 V N 0.702 120.488 119.914 -0.213 0.000 2.667 4254 V HA 0.178 4.298 4.120 0.000 0.000 0.252 4254 V C 1.966 177.971 176.094 -0.149 0.000 1.065 4254 V CA 1.535 63.727 62.300 -0.179 0.000 1.083 4254 V CB -0.372 31.349 31.823 -0.169 0.000 0.692 4254 V HN 0.660 nan 8.190 nan 0.000 0.468 4255 L N -0.300 120.834 121.223 -0.148 0.000 2.529 4255 L HA 0.224 4.564 4.340 0.000 0.000 0.223 4255 L C 0.175 176.959 176.870 -0.143 0.000 1.113 4255 L CA 0.095 54.849 54.840 -0.143 0.000 0.861 4255 L CB 0.702 42.692 42.059 -0.114 0.000 1.012 4255 L HN 0.122 nan 8.230 nan 0.000 0.461 4256 V N 0.965 120.798 119.914 -0.136 0.000 2.444 4256 V HA 0.296 4.416 4.120 0.000 0.000 0.294 4256 V C -0.318 175.706 176.094 -0.117 0.000 1.022 4256 V CA -0.903 61.325 62.300 -0.120 0.000 0.850 4256 V CB 1.758 33.511 31.823 -0.118 0.000 0.992 4256 V HN 0.013 nan 8.190 nan 0.000 0.426 4257 K N 4.238 124.577 120.400 -0.100 0.000 2.264 4257 K HA 0.579 4.899 4.320 0.000 0.000 0.277 4257 K C -0.500 176.051 176.600 -0.081 0.000 1.067 4257 K CA -0.644 55.589 56.287 -0.090 0.000 0.900 4257 K CB 1.695 34.147 32.500 -0.080 0.000 1.124 4257 K HN 0.449 nan 8.250 nan 0.000 0.469 4258 K N 0.218 120.569 120.400 -0.081 0.000 2.211 4258 K HA 0.709 5.029 4.320 0.000 0.000 0.237 4258 K C 0.375 176.941 176.600 -0.057 0.000 1.002 4258 K CA 0.006 56.251 56.287 -0.071 0.000 0.885 4258 K CB 1.245 33.699 32.500 -0.076 0.000 1.136 4258 K HN 0.697 nan 8.250 nan 0.000 0.448 4259 G N 0.601 109.373 108.800 -0.048 0.000 2.632 4259 G HA2 -0.241 3.719 3.960 0.000 0.000 0.224 4259 G HA3 -0.241 3.719 3.960 0.000 0.000 0.224 4259 G C -1.169 173.709 174.900 -0.036 0.000 1.341 4259 G CA -0.208 44.870 45.100 -0.036 0.000 0.880 4259 G HN 0.700 nan 8.290 nan 0.000 0.566 4260 D N -0.275 120.109 120.400 -0.028 0.000 2.317 4260 D HA 0.423 5.063 4.640 0.000 0.000 0.252 4260 D C 1.628 177.907 176.300 -0.036 0.000 1.174 4260 D CA 0.597 54.579 54.000 -0.030 0.000 0.866 4260 D CB 1.387 42.175 40.800 -0.019 0.000 1.127 4260 D HN 1.271 nan 8.370 nan 0.000 0.467 4261 V N 2.088 121.971 119.914 -0.052 0.000 3.650 4261 V HA 0.148 4.268 4.120 0.000 0.000 0.271 4261 V C 1.946 177.996 176.094 -0.073 0.000 1.281 4261 V CA 0.366 62.626 62.300 -0.067 0.000 1.120 4261 V CB -0.226 31.539 31.823 -0.096 0.000 0.856 4261 V HN 0.360 nan 8.190 nan 0.000 0.443 4262 K N 2.211 122.576 120.400 -0.058 0.000 2.044 4262 K HA -0.053 4.267 4.320 0.000 0.000 0.210 4262 K C -0.156 176.429 176.600 -0.024 0.000 1.049 4262 K CA 2.450 58.708 56.287 -0.048 0.000 0.927 4262 K CB -1.702 30.783 32.500 -0.026 0.000 0.713 4262 K HN 0.440 nan 8.250 nan 0.000 0.443 4263 P HA -0.181 nan 4.420 nan 0.000 0.217 4263 P C 1.288 178.601 177.300 0.021 0.000 1.148 4263 P CA 1.069 64.174 63.100 0.007 0.000 0.828 4263 P CB 0.025 31.729 31.700 0.007 0.000 0.783 4264 L N -1.491 119.741 121.223 0.015 0.000 2.131 4264 L HA -0.038 4.302 4.340 0.000 0.000 0.206 4264 L C 2.111 179.024 176.870 0.071 0.000 1.087 4264 L CA 1.336 56.205 54.840 0.048 0.000 0.767 4264 L CB -0.728 41.352 42.059 0.036 0.000 0.917 4264 L HN -0.049 nan 8.230 nan 0.000 0.441 4265 A N 0.338 123.162 122.820 0.007 0.000 1.883 4265 A HA -0.260 4.060 4.320 0.000 0.000 0.217 4265 A C 1.974 179.658 177.584 0.168 0.000 1.186 4265 A CA 1.931 53.993 52.037 0.041 0.000 0.624 4265 A CB -0.545 18.377 19.000 -0.131 0.000 0.822 4265 A HN 0.583 nan 8.150 nan 0.000 0.444 4266 E N -0.740 119.512 120.200 0.087 0.000 2.110 4266 E HA -0.251 4.099 4.350 0.000 0.000 0.193 4266 E C 2.254 178.900 176.600 0.075 0.000 0.988 4266 E CA 1.187 57.632 56.400 0.076 0.000 0.804 4266 E CB -0.219 29.507 29.700 0.043 0.000 0.745 4266 E HN 0.795 nan 8.360 nan 0.000 0.458 4267 Q N 0.927 120.773 119.800 0.076 0.000 2.002 4267 Q HA -0.202 4.138 4.340 0.000 0.000 0.204 4267 Q C 2.303 178.352 176.000 0.080 0.000 0.988 4267 Q CA 1.499 57.343 55.803 0.067 0.000 0.843 4267 Q CB -0.109 28.671 28.738 0.070 0.000 0.908 4267 Q HN 0.288 nan 8.270 nan 0.000 0.420 4268 I N 0.549 121.201 120.570 0.137 0.000 2.194 4268 I HA -0.321 3.849 4.170 0.000 0.000 0.246 4268 I C 2.418 178.576 176.117 0.068 0.000 1.093 4268 I CA 1.096 62.482 61.300 0.143 0.000 1.355 4268 I CB -0.446 37.712 38.000 0.264 0.000 1.046 4268 I HN 0.300 nan 8.210 nan 0.000 0.413 4269 A N 0.902 123.770 122.820 0.080 0.000 1.898 4269 A HA -0.146 4.174 4.320 0.000 0.000 0.216 4269 A C 2.291 179.877 177.584 0.005 0.000 1.181 4269 A CA 1.398 53.444 52.037 0.014 0.000 0.620 4269 A CB -0.720 18.307 19.000 0.045 0.000 0.819 4269 A HN 0.377 nan 8.150 nan 0.000 0.442 4270 I N -0.368 120.215 120.570 0.022 0.000 2.179 4270 I HA -0.222 3.948 4.170 0.000 0.000 0.242 4270 I C 2.591 178.708 176.117 0.001 0.000 1.088 4270 I CA 1.743 63.049 61.300 0.010 0.000 1.357 4270 I CB -0.742 37.267 38.000 0.015 0.000 1.051 4270 I HN 0.259 nan 8.210 nan 0.000 0.409 4271 T N 0.967 115.524 114.554 0.004 0.000 2.684 4271 T HA -0.207 4.143 4.350 0.000 0.000 0.267 4271 T C 1.957 176.649 174.700 -0.013 0.000 1.036 4271 T CA 1.581 63.677 62.100 -0.006 0.000 1.148 4271 T CB -0.393 68.471 68.868 -0.006 0.000 0.863 4271 T HN 0.492 nan 8.240 nan 0.000 0.436 4272 A N 0.587 123.395 122.820 -0.020 0.000 2.172 4272 A HA 0.433 4.753 4.320 0.000 0.000 0.216 4272 A C 1.642 179.206 177.584 -0.033 0.000 1.154 4272 A CA 0.907 52.921 52.037 -0.037 0.000 0.701 4272 A CB -0.859 18.098 19.000 -0.071 0.000 0.789 4272 A HN 1.020 nan 8.150 nan 0.000 0.465 4273 G N -1.616 107.170 108.800 -0.023 0.000 2.545 4273 G HA2 -0.093 3.867 3.960 0.000 0.000 0.279 4273 G HA3 -0.093 3.867 3.960 0.000 0.000 0.279 4273 G C -0.373 174.514 174.900 -0.021 0.000 1.131 4273 G CA -0.256 44.833 45.100 -0.019 0.000 1.100 4273 G HN 0.883 nan 8.290 nan 0.000 0.525 4274 C N 1.748 121.037 119.300 -0.018 0.000 2.608 4274 C HA 0.652 5.112 4.460 0.000 0.000 0.325 4274 C C 0.320 175.308 174.990 -0.003 0.000 1.147 4274 C CA -1.840 57.168 59.018 -0.016 0.000 1.359 4274 C CB 1.867 29.587 27.740 -0.033 0.000 1.912 4274 C HN 0.625 nan 8.230 nan 0.000 0.466 4275 K N 1.396 121.797 120.400 0.002 0.000 2.397 4275 K HA 0.208 4.528 4.320 0.000 0.000 0.265 4275 K C 1.014 177.620 176.600 0.009 0.000 0.982 4275 K CA 0.203 56.493 56.287 0.005 0.000 0.931 4275 K CB 0.158 32.661 32.500 0.005 0.000 0.943 4275 K HN 0.909 nan 8.250 nan 0.000 0.501 4276 T N -2.491 112.070 114.554 0.012 0.000 3.269 4276 T HA 0.087 4.437 4.350 0.000 0.000 0.269 4276 T C 1.079 175.785 174.700 0.011 0.000 0.993 4276 T CA -0.416 61.694 62.100 0.018 0.000 0.909 4276 T CB -0.203 68.679 68.868 0.023 0.000 1.115 4276 T HN 0.347 nan 8.240 nan 0.000 0.543 4277 T N 2.801 117.357 114.554 0.004 0.000 2.570 4277 T HA -0.077 4.273 4.350 0.000 0.000 0.266 4277 T C 1.258 175.953 174.700 -0.008 0.000 1.071 4277 T CA 2.062 64.160 62.100 -0.003 0.000 1.172 4277 T CB -0.504 68.359 68.868 -0.008 0.000 0.864 4277 T HN 0.821 nan 8.240 nan 0.000 0.421 4278 T N -2.142 112.399 114.554 -0.021 0.000 2.838 4278 T HA 0.541 4.891 4.350 0.000 0.000 0.292 4278 T C 1.069 175.740 174.700 -0.048 0.000 1.113 4278 T CA -0.443 61.634 62.100 -0.039 0.000 1.008 4278 T CB 1.802 70.625 68.868 -0.075 0.000 1.259 4278 T HN -0.099 nan 8.240 nan 0.000 0.520 4279 S N 0.248 115.909 115.700 -0.066 0.000 2.356 4279 S HA -0.042 4.428 4.470 0.000 0.000 0.223 4279 S C 2.465 176.997 174.600 -0.112 0.000 1.032 4279 S CA 1.414 59.594 58.200 -0.034 0.000 1.005 4279 S CB -1.021 62.226 63.200 0.078 0.000 0.867 4279 S HN 0.904 nan 8.310 nan 0.000 0.449 4280 A N 1.130 123.719 122.820 -0.384 0.000 1.883 4280 A HA -0.081 4.239 4.320 0.000 0.000 0.217 4280 A C 2.327 179.866 177.584 -0.076 0.000 1.186 4280 A CA 1.710 53.566 52.037 -0.301 0.000 0.624 4280 A CB -0.983 17.751 19.000 -0.443 0.000 0.822 4280 A HN 0.355 nan 8.150 nan 0.000 0.444 4281 V N -0.672 119.202 119.914 -0.068 0.000 2.407 4281 V HA -0.310 3.810 4.120 0.000 0.000 0.248 4281 V C 2.551 178.667 176.094 0.037 0.000 1.055 4281 V CA 2.315 64.617 62.300 0.004 0.000 1.049 4281 V CB -0.694 31.123 31.823 -0.010 0.000 0.662 4281 V HN 0.609 nan 8.190 nan 0.000 0.455 4282 M N -0.455 119.157 119.600 0.020 0.000 2.064 4282 M HA -0.133 4.347 4.480 0.000 0.000 0.260 4282 M C 2.147 178.438 176.300 -0.016 0.000 1.073 4282 M CA 1.796 57.111 55.300 0.026 0.000 1.124 4282 M CB -0.297 32.358 32.600 0.091 0.000 1.326 4282 M HN 0.165 nan 8.290 nan 0.000 0.410 4283 V N -0.428 119.502 119.914 0.026 0.000 2.469 4283 V HA -0.316 3.804 4.120 0.000 0.000 0.251 4283 V C 2.205 178.314 176.094 0.025 0.000 1.064 4283 V CA 2.268 64.553 62.300 -0.024 0.000 1.066 4283 V CB -1.120 30.762 31.823 0.098 0.000 0.667 4283 V HN 0.551 nan 8.190 nan 0.000 0.461 4284 H N -0.864 118.192 119.070 -0.023 0.000 2.307 4284 H HA -0.158 4.398 4.556 0.000 0.000 0.303 4284 H C 2.353 177.669 175.328 -0.020 0.000 1.073 4284 H CA 2.220 58.264 56.048 -0.008 0.000 1.338 4284 H CB -0.696 29.058 29.762 -0.014 0.000 1.389 4284 H HN 0.396 nan 8.280 nan 0.000 0.503 4285 C N 0.236 119.504 119.300 -0.053 0.000 2.411 4285 C HA -0.066 4.394 4.460 0.000 0.000 0.279 4285 C C 2.725 177.629 174.990 -0.144 0.000 1.288 4285 C CA 0.874 59.826 59.018 -0.111 0.000 1.764 4285 C CB -1.530 26.188 27.740 -0.037 0.000 1.974 4285 C HN 0.626 nan 8.230 nan 0.000 0.498 4286 L N -0.305 120.827 121.223 -0.151 0.000 2.291 4286 L HA -0.001 4.339 4.340 0.000 0.000 0.214 4286 L C 2.790 179.637 176.870 -0.040 0.000 1.120 4286 L CA 1.048 55.788 54.840 -0.166 0.000 0.799 4286 L CB -0.522 41.296 42.059 -0.401 0.000 0.925 4286 L HN 0.312 nan 8.230 nan 0.000 0.446 4287 R N -0.925 119.556 120.500 -0.031 0.000 2.240 4287 R HA -0.045 4.295 4.340 0.000 0.000 0.203 4287 R C 2.084 178.302 176.300 -0.136 0.000 1.011 4287 R CA 0.299 56.375 56.100 -0.039 0.000 1.007 4287 R CB 0.164 30.453 30.300 -0.018 0.000 0.911 4287 R HN 0.318 nan 8.270 nan 0.000 0.468 4288 Q N 0.685 120.371 119.800 -0.190 0.000 2.187 4288 Q HA 0.007 4.347 4.340 0.000 0.000 0.199 4288 Q C 0.195 176.131 176.000 -0.106 0.000 0.957 4288 Q CA 0.882 56.581 55.803 -0.173 0.000 0.857 4288 Q CB 0.172 28.787 28.738 -0.206 0.000 0.929 4288 Q HN 0.043 nan 8.270 nan 0.000 0.453 4289 K N 2.251 122.590 120.400 -0.101 0.000 2.436 4289 K HA 0.043 4.363 4.320 0.000 0.000 0.275 4289 K C 0.593 177.163 176.600 -0.050 0.000 0.999 4289 K CA 0.145 56.387 56.287 -0.075 0.000 0.980 4289 K CB 0.142 32.586 32.500 -0.094 0.000 0.919 4289 K HN 0.217 nan 8.250 nan 0.000 0.484 4290 T N -2.132 112.411 114.554 -0.017 0.000 2.828 4290 T HA 0.036 4.386 4.350 0.000 0.000 0.290 4290 T C 1.359 176.103 174.700 0.074 0.000 1.019 4290 T CA -0.558 61.553 62.100 0.018 0.000 1.031 4290 T CB 1.109 69.988 68.868 0.020 0.000 1.001 4290 T HN 0.629 nan 8.240 nan 0.000 0.531 4291 E N 0.291 120.568 120.200 0.128 0.000 2.049 4291 E HA -0.298 4.052 4.350 0.000 0.000 0.198 4291 E C 1.909 178.669 176.600 0.267 0.000 1.007 4291 E CA 1.830 58.394 56.400 0.272 0.000 0.809 4291 E CB -0.202 29.600 29.700 0.170 0.000 0.749 4291 E HN 0.827 nan 8.360 nan 0.000 0.450 4292 E N 0.757 121.041 120.200 0.141 0.000 2.118 4292 E HA -0.216 4.134 4.350 0.000 0.000 0.195 4292 E C 1.823 178.484 176.600 0.102 0.000 0.992 4292 E CA 1.790 58.257 56.400 0.111 0.000 0.804 4292 E CB -0.085 29.651 29.700 0.059 0.000 0.741 4292 E HN 0.387 nan 8.360 nan 0.000 0.458 4293 E N -0.191 120.051 120.200 0.069 0.000 2.051 4293 E HA -0.165 4.185 4.350 0.000 0.000 0.192 4293 E C 2.183 178.804 176.600 0.034 0.000 0.991 4293 E CA 1.248 57.669 56.400 0.034 0.000 0.799 4293 E CB -0.150 29.552 29.700 0.003 0.000 0.748 4293 E HN 0.323 nan 8.360 nan 0.000 0.449 4294 L N 0.509 121.751 121.223 0.031 0.000 2.046 4294 L HA -0.183 4.157 4.340 0.000 0.000 0.208 4294 L C 2.605 179.551 176.870 0.127 0.000 1.077 4294 L CA 0.472 55.274 54.840 -0.064 0.000 0.747 4294 L CB -0.468 41.344 42.059 -0.413 0.000 0.896 4294 L HN 0.239 nan 8.230 nan 0.000 0.432 4295 L N 0.445 121.877 121.223 0.349 0.000 2.043 4295 L HA -0.243 4.097 4.340 0.000 0.000 0.212 4295 L C 2.295 179.283 176.870 0.197 0.000 1.075 4295 L CA 1.832 56.894 54.840 0.370 0.000 0.752 4295 L CB -0.647 41.571 42.059 0.265 0.000 0.891 4295 L HN 0.235 nan 8.230 nan 0.000 0.432 4296 E N -1.411 118.862 120.200 0.122 0.000 2.204 4296 E HA -0.160 4.190 4.350 0.000 0.000 0.194 4296 E C 1.813 178.444 176.600 0.051 0.000 0.989 4296 E CA 1.493 57.935 56.400 0.069 0.000 0.824 4296 E CB -0.070 29.655 29.700 0.043 0.000 0.756 4296 E HN 0.630 nan 8.360 nan 0.000 0.477 4297 T N 0.056 114.643 114.554 0.056 0.000 2.732 4297 T HA -0.113 4.237 4.350 0.000 0.000 0.261 4297 T C 2.043 176.780 174.700 0.061 0.000 1.040 4297 T CA 1.475 63.595 62.100 0.034 0.000 1.145 4297 T CB -0.606 68.273 68.868 0.019 0.000 0.866 4297 T HN 0.119 nan 8.240 nan 0.000 0.427 4298 T N 3.264 117.924 114.554 0.176 0.000 2.624 4298 T HA -0.106 4.244 4.350 0.000 0.000 0.268 4298 T C 2.000 176.768 174.700 0.114 0.000 1.041 4298 T CA 1.294 63.582 62.100 0.315 0.000 1.159 4298 T CB -0.788 68.344 68.868 0.439 0.000 0.863 4298 T HN 0.239 nan 8.240 nan 0.000 0.434 4299 L N 0.404 121.684 121.223 0.094 0.000 2.079 4299 L HA -0.136 4.204 4.340 0.000 0.000 0.210 4299 L C 2.712 179.553 176.870 -0.049 0.000 1.081 4299 L CA 1.423 56.282 54.840 0.031 0.000 0.752 4299 L CB -0.560 41.524 42.059 0.042 0.000 0.896 4299 L HN 0.254 nan 8.230 nan 0.000 0.433 4300 K N -0.623 119.740 120.400 -0.063 0.000 2.288 4300 K HA -0.036 4.284 4.320 0.000 0.000 0.201 4300 K C 2.000 178.486 176.600 -0.190 0.000 1.048 4300 K CA 0.791 57.022 56.287 -0.094 0.000 0.956 4300 K CB 0.019 32.483 32.500 -0.059 0.000 0.746 4300 K HN 0.275 nan 8.250 nan 0.000 0.461 4301 M N 0.869 120.262 119.600 -0.345 0.000 2.476 4301 M HA -0.035 4.445 4.480 0.000 0.000 0.262 4301 M C 0.003 175.896 176.300 -0.677 0.000 1.079 4301 M CA 0.879 55.787 55.300 -0.653 0.000 1.104 4301 M CB -0.671 31.087 32.600 -1.404 0.000 1.409 4301 M HN 0.034 nan 8.290 nan 0.000 0.467 4302 K N 0.996 121.127 120.400 -0.447 0.000 3.689 4302 K HA -0.180 4.140 4.320 0.000 0.000 0.276 4302 K C -0.715 175.783 176.600 -0.169 0.000 0.932 4302 K CA 0.227 56.381 56.287 -0.221 0.000 0.758 4302 K CB -2.072 30.352 32.500 -0.127 0.000 1.500 4302 K HN 0.194 nan 8.250 nan 0.000 0.448 4303 F N 1.157 121.132 119.950 0.042 0.000 2.378 4303 F HA 0.139 4.666 4.527 0.000 0.000 0.319 4303 F C 1.702 177.522 175.800 0.033 0.000 1.155 4303 F CA -1.028 56.997 58.000 0.042 0.000 1.157 4303 F CB 0.477 39.513 39.000 0.060 0.000 1.252 4303 F HN 0.044 nan 8.300 nan 0.000 0.550 4304 L N 0.329 121.700 121.223 0.248 0.000 4.040 4304 L HA -0.252 4.088 4.340 0.000 0.000 0.410 4304 L C -0.168 176.761 176.870 0.100 0.000 1.187 4304 L CA 0.643 55.563 54.840 0.133 0.000 0.956 4304 L CB -2.875 39.247 42.059 0.104 0.000 2.022 4304 L HN 0.618 nan 8.230 nan 0.000 0.897 4305 S N -0.540 115.222 115.700 0.104 0.000 2.541 4305 S HA 0.709 5.179 4.470 0.000 0.000 0.280 4305 S C -0.482 174.170 174.600 0.087 0.000 1.112 4305 S CA -0.710 57.539 58.200 0.081 0.000 0.925 4305 S CB 2.009 65.237 63.200 0.047 0.000 1.067 4305 S HN 0.207 nan 8.310 nan 0.000 0.479 4306 L N 4.085 125.373 121.223 0.108 0.000 2.385 4306 L HA 0.374 4.714 4.340 0.000 0.000 0.281 4306 L C -0.253 176.623 176.870 0.010 0.000 1.106 4306 L CA 0.124 55.011 54.840 0.080 0.000 0.856 4306 L CB 0.300 42.410 42.059 0.085 0.000 1.186 4306 L HN 0.568 nan 8.230 nan 0.000 0.453 4307 D N 4.359 124.757 120.400 -0.002 0.000 2.342 4307 D HA 0.038 4.678 4.640 0.000 0.000 0.260 4307 D C 1.001 177.272 176.300 -0.047 0.000 1.278 4307 D CA 0.334 54.319 54.000 -0.024 0.000 0.910 4307 D CB 0.654 41.438 40.800 -0.025 0.000 1.079 4307 D HN 0.581 nan 8.370 nan 0.000 0.496 4308 L N 2.299 123.495 121.223 -0.044 0.000 2.102 4308 L HA 0.016 4.356 4.340 0.000 0.000 0.202 4308 L C 1.498 178.347 176.870 -0.036 0.000 1.076 4308 L CA 0.502 55.312 54.840 -0.049 0.000 0.761 4308 L CB -0.187 41.848 42.059 -0.041 0.000 0.921 4308 L HN 0.393 nan 8.230 nan 0.000 0.444 4309 Q N 0.125 119.909 119.800 -0.028 0.000 2.314 4309 Q HA 0.410 4.750 4.340 0.000 0.000 0.258 4309 Q C 0.105 176.091 176.000 -0.022 0.000 0.954 4309 Q CA 0.570 56.362 55.803 -0.018 0.000 0.890 4309 Q CB 0.992 29.721 28.738 -0.015 0.000 1.210 4309 Q HN 0.293 nan 8.270 nan 0.000 0.410 4310 G N 2.997 111.790 108.800 -0.010 0.000 2.757 4310 G HA2 -0.239 3.721 3.960 0.000 0.000 0.638 4310 G HA3 -0.239 3.721 3.960 0.000 0.000 0.638 4310 G C -0.954 173.933 174.900 -0.023 0.000 1.344 4310 G CA -0.385 44.709 45.100 -0.010 0.000 0.855 4310 G HN 0.776 nan 8.290 nan 0.000 0.537 4311 D N 0.909 121.298 120.400 -0.017 0.000 2.389 4311 D HA 0.250 4.890 4.640 0.000 0.000 0.263 4311 D C -0.480 175.739 176.300 -0.135 0.000 1.255 4311 D CA -1.054 52.923 54.000 -0.038 0.000 0.914 4311 D CB 1.005 41.801 40.800 -0.006 0.000 1.116 4311 D HN 0.031 nan 8.370 nan 0.000 0.502 4312 P HA -0.130 nan 4.420 nan 0.000 0.216 4312 P C 0.875 178.042 177.300 -0.223 0.000 1.153 4312 P CA 1.204 64.081 63.100 -0.372 0.000 0.858 4312 P CB 0.149 31.352 31.700 -0.829 0.000 0.789 4313 R N -0.074 120.215 120.500 -0.351 0.000 2.377 4313 R HA -0.065 4.275 4.340 0.000 0.000 0.207 4313 R C 0.341 176.647 176.300 0.010 0.000 1.075 4313 R CA 0.746 56.753 56.100 -0.154 0.000 1.035 4313 R CB -0.599 29.474 30.300 -0.377 0.000 0.857 4313 R HN 0.442 nan 8.270 nan 0.000 0.475 4314 E N 0.060 120.248 120.200 -0.021 0.000 4.044 4314 E HA 0.191 4.541 4.350 0.000 0.000 0.216 4314 E C -1.077 175.527 176.600 0.006 0.000 1.104 4314 E CA -0.199 56.203 56.400 0.003 0.000 1.383 4314 E CB 1.447 31.143 29.700 -0.007 0.000 1.195 4314 E HN -0.054 nan 8.360 nan 0.000 0.442 4315 S N 1.170 116.881 115.700 0.019 0.000 2.614 4315 S HA 0.286 4.756 4.470 0.000 0.000 0.288 4315 S C -0.669 173.960 174.600 0.049 0.000 1.137 4315 S CA -0.709 57.505 58.200 0.023 0.000 0.992 4315 S CB 1.802 65.004 63.200 0.004 0.000 1.026 4315 S HN 0.155 nan 8.310 nan 0.000 0.486 4316 Q N 3.855 123.709 119.800 0.090 0.000 2.509 4316 Q HA 0.339 4.679 4.340 0.000 0.000 0.230 4316 Q C -1.565 174.573 176.000 0.231 0.000 1.089 4316 Q CA -2.274 53.611 55.803 0.136 0.000 0.901 4316 Q CB 0.963 29.811 28.738 0.184 0.000 1.208 4316 Q HN 0.322 nan 8.270 nan 0.000 0.529 4317 P HA -0.121 nan 4.420 nan 0.000 0.222 4317 P C -0.573 176.870 177.300 0.239 0.000 1.147 4317 P CA 0.820 64.030 63.100 0.184 0.000 0.790 4317 P CB 0.268 32.018 31.700 0.083 0.000 0.780 4318 L N -4.678 116.593 121.223 0.079 0.000 2.789 4318 L HA 0.390 4.730 4.340 0.000 0.000 0.258 4318 L C -0.975 175.734 176.870 -0.269 0.000 0.966 4318 L CA -1.296 53.414 54.840 -0.217 0.000 0.916 4318 L CB 0.343 42.311 42.059 -0.151 0.000 1.475 4318 L HN -0.326 nan 8.230 nan 0.000 0.418 4319 L N 1.071 122.043 121.223 -0.418 0.000 2.349 4319 L HA 0.913 5.253 4.340 0.000 0.000 0.275 4319 L C 0.737 177.446 176.870 -0.268 0.000 1.115 4319 L CA 0.091 54.800 54.840 -0.219 0.000 0.820 4319 L CB 0.625 42.622 42.059 -0.102 0.000 1.135 4319 L HN 1.003 nan 8.230 nan 0.000 0.445 4320 G N 1.422 110.080 108.800 -0.237 0.000 3.166 4320 G HA2 0.456 4.416 3.960 0.000 0.000 0.267 4320 G HA3 0.456 4.416 3.960 0.000 0.000 0.267 4320 G C -0.695 174.073 174.900 -0.220 0.000 1.256 4320 G CA -0.433 44.417 45.100 -0.418 0.000 0.859 4320 G HN 0.438 nan 8.290 nan 0.000 0.590 4321 T N 0.003 114.468 114.554 -0.148 0.000 2.855 4321 T HA 0.433 4.783 4.350 0.000 0.000 0.314 4321 T C 0.302 175.004 174.700 0.004 0.000 1.077 4321 T CA 0.732 62.877 62.100 0.076 0.000 1.095 4321 T CB 1.009 69.903 68.868 0.044 0.000 0.987 4321 T HN 1.456 nan 8.240 nan 0.000 0.546 4322 V N -1.175 118.740 119.914 0.003 0.000 3.216 4322 V HA 0.515 4.635 4.120 0.000 0.000 0.302 4322 V C -0.890 175.165 176.094 -0.065 0.000 1.286 4322 V CA -1.300 60.968 62.300 -0.052 0.000 1.048 4322 V CB 1.867 33.645 31.823 -0.076 0.000 1.081 4322 V HN 0.610 nan 8.190 nan 0.000 0.442 4323 I N 3.889 124.417 120.570 -0.070 0.000 2.268 4323 I HA 0.189 4.359 4.170 0.000 0.000 0.298 4323 I C 1.310 177.385 176.117 -0.070 0.000 1.185 4323 I CA 0.181 61.441 61.300 -0.067 0.000 1.548 4323 I CB -0.703 37.262 38.000 -0.059 0.000 1.492 4323 I HN 0.988 nan 8.210 nan 0.000 0.711 4324 D N 3.338 123.688 120.400 -0.082 0.000 2.178 4324 D HA -0.125 4.515 4.640 0.000 0.000 0.202 4324 D C 1.552 177.814 176.300 -0.063 0.000 0.974 4324 D CA 1.443 55.386 54.000 -0.095 0.000 0.841 4324 D CB 0.139 40.856 40.800 -0.139 0.000 0.953 4324 D HN 0.606 nan 8.370 nan 0.000 0.478 4325 G N -0.784 107.988 108.800 -0.047 0.000 2.201 4325 G HA2 -0.248 3.712 3.960 0.000 0.000 0.212 4325 G HA3 -0.248 3.712 3.960 0.000 0.000 0.212 4325 G C 1.002 175.892 174.900 -0.017 0.000 0.994 4325 G CA 0.502 45.585 45.100 -0.030 0.000 0.644 4325 G HN 0.231 nan 8.290 nan 0.000 0.508 4326 M N -1.075 118.515 119.600 -0.017 0.000 2.906 4326 M HA 0.468 4.948 4.480 0.000 0.000 0.252 4326 M C 2.242 178.546 176.300 0.006 0.000 1.359 4326 M CA 1.008 56.311 55.300 0.005 0.000 1.239 4326 M CB -1.029 31.584 32.600 0.021 0.000 1.229 4326 M HN 0.226 nan 8.290 nan 0.000 0.547 4327 L N 0.337 121.555 121.223 -0.008 0.000 2.102 4327 L HA 0.206 4.546 4.340 0.000 0.000 0.202 4327 L C 0.290 177.143 176.870 -0.028 0.000 1.076 4327 L CA 1.267 56.102 54.840 -0.009 0.000 0.761 4327 L CB 0.267 42.313 42.059 -0.022 0.000 0.921 4327 L HN 0.094 nan 8.230 nan 0.000 0.444 4328 L N 0.199 121.395 121.223 -0.045 0.000 2.342 4328 L HA 0.256 4.596 4.340 0.000 0.000 0.276 4328 L C 0.409 177.254 176.870 -0.040 0.000 0.997 4328 L CA -0.336 54.474 54.840 -0.050 0.000 0.838 4328 L CB 1.780 43.795 42.059 -0.072 0.000 1.224 4328 L HN 0.123 nan 8.230 nan 0.000 0.416 4329 L N 1.783 122.988 121.223 -0.030 0.000 2.270 4329 L HA 0.115 4.455 4.340 0.000 0.000 0.210 4329 L C 0.701 177.554 176.870 -0.028 0.000 1.104 4329 L CA 0.919 55.744 54.840 -0.025 0.000 0.804 4329 L CB -0.374 41.675 42.059 -0.018 0.000 0.937 4329 L HN 0.590 nan 8.230 nan 0.000 0.450 4330 K N -0.642 119.740 120.400 -0.030 0.000 2.197 4330 K HA 0.447 4.767 4.320 0.000 0.000 0.247 4330 K C -0.350 176.226 176.600 -0.040 0.000 1.077 4330 K CA -0.700 55.568 56.287 -0.030 0.000 0.882 4330 K CB 0.916 33.403 32.500 -0.021 0.000 1.396 4330 K HN -0.155 nan 8.250 nan 0.000 0.482 4331 T N -1.730 112.799 114.554 -0.041 0.000 2.904 4331 T HA 0.164 4.514 4.350 0.000 0.000 0.290 4331 T C -2.084 172.584 174.700 -0.053 0.000 1.018 4331 T CA -1.603 60.465 62.100 -0.053 0.000 1.075 4331 T CB 1.007 69.842 68.868 -0.056 0.000 0.986 4331 T HN 0.139 nan 8.240 nan 0.000 0.523 4332 P HA -0.148 nan 4.420 nan 0.000 0.217 4332 P C 1.194 178.458 177.300 -0.060 0.000 1.151 4332 P CA 1.190 64.245 63.100 -0.075 0.000 0.849 4332 P CB 0.045 31.690 31.700 -0.092 0.000 0.787 4333 E N -0.184 119.984 120.200 -0.055 0.000 2.077 4333 E HA -0.183 4.167 4.350 0.000 0.000 0.193 4333 E C 1.880 178.469 176.600 -0.017 0.000 0.989 4333 E CA 1.278 57.654 56.400 -0.039 0.000 0.800 4333 E CB -0.918 28.756 29.700 -0.044 0.000 0.746 4333 E HN 0.464 nan 8.360 nan 0.000 0.452 4334 E N 0.139 120.328 120.200 -0.018 0.000 2.216 4334 E HA -0.035 4.315 4.350 0.000 0.000 0.192 4334 E C 1.990 178.597 176.600 0.013 0.000 0.988 4334 E CA 0.382 56.780 56.400 -0.004 0.000 0.834 4334 E CB -0.038 29.655 29.700 -0.012 0.000 0.772 4334 E HN 0.232 nan 8.360 nan 0.000 0.479 4335 L N 1.050 122.279 121.223 0.010 0.000 2.156 4335 L HA -0.173 4.167 4.340 0.000 0.000 0.208 4335 L C 2.501 179.443 176.870 0.120 0.000 1.095 4335 L CA 1.114 55.979 54.840 0.043 0.000 0.770 4335 L CB -0.247 41.821 42.059 0.015 0.000 0.914 4335 L HN 0.186 nan 8.230 nan 0.000 0.439 4336 Q N -0.731 119.116 119.800 0.079 0.000 2.402 4336 Q HA 0.105 4.445 4.340 0.000 0.000 0.206 4336 Q C 2.167 178.268 176.000 0.168 0.000 0.919 4336 Q CA 0.747 56.647 55.803 0.162 0.000 0.923 4336 Q CB -0.082 28.633 28.738 -0.038 0.000 1.048 4336 Q HN 0.333 nan 8.270 nan 0.000 0.515 4337 A N 2.838 125.711 122.820 0.087 0.000 1.873 4337 A HA -0.175 4.145 4.320 0.000 0.000 0.215 4337 A C 1.204 178.827 177.584 0.065 0.000 1.186 4337 A CA 1.203 53.279 52.037 0.065 0.000 0.616 4337 A CB -0.387 18.634 19.000 0.035 0.000 0.823 4337 A HN 0.568 nan 8.150 nan 0.000 0.442 4338 E N 0.665 120.900 120.200 0.059 0.000 1.986 4338 E HA 0.398 4.748 4.350 0.000 0.000 0.264 4338 E C -0.911 175.719 176.600 0.050 0.000 1.023 4338 E CA -0.779 55.642 56.400 0.035 0.000 0.834 4338 E CB 0.121 29.831 29.700 0.017 0.000 1.111 4338 E HN 0.314 nan 8.360 nan 0.000 0.417 4339 R N 2.577 123.098 120.500 0.036 0.000 2.763 4339 R HA -0.120 4.220 4.340 0.000 0.000 0.348 4339 R C 0.279 176.491 176.300 -0.147 0.000 0.826 4339 R CA 0.495 56.565 56.100 -0.050 0.000 1.109 4339 R CB -0.204 29.997 30.300 -0.165 0.000 0.889 4339 R HN 0.649 nan 8.270 nan 0.000 0.402 4340 N N 3.067 121.714 118.700 -0.088 0.000 2.529 4340 N HA -0.032 4.708 4.740 0.000 0.000 0.231 4340 N C -0.137 175.250 175.510 -0.205 0.000 1.072 4340 N CA -0.276 52.708 53.050 -0.110 0.000 0.854 4340 N CB 0.246 38.726 38.487 -0.012 0.000 1.465 4340 N HN 0.376 nan 8.380 nan 0.000 0.452 4341 F N 1.888 121.730 119.950 -0.180 0.000 2.642 4341 F HA 0.117 4.644 4.527 0.000 0.000 0.371 4341 F C -0.083 175.561 175.800 -0.260 0.000 1.120 4341 F CA -0.804 57.014 58.000 -0.304 0.000 1.331 4341 F CB -0.470 38.440 39.000 -0.150 0.000 1.044 4341 F HN 0.117 nan 8.300 nan 0.000 0.594 4342 H N 0.503 119.616 119.070 0.071 0.000 3.138 4342 H HA 0.175 4.731 4.556 0.000 0.000 0.275 4342 H C 0.990 176.332 175.328 0.023 0.000 0.997 4342 H CA -0.234 55.783 56.048 -0.052 0.000 1.460 4342 H CB -0.750 28.932 29.762 -0.134 0.000 1.524 4342 H HN 0.711 nan 8.280 nan 0.000 0.532 4343 T N 0.713 115.244 114.554 -0.039 0.000 4.096 4343 T HA 0.116 4.466 4.350 0.000 0.000 0.241 4343 T C 0.628 175.417 174.700 0.149 0.000 0.869 4343 T CA -0.173 61.893 62.100 -0.057 0.000 0.909 4343 T CB -1.808 66.944 68.868 -0.192 0.000 1.260 4343 T HN 0.533 nan 8.240 nan 0.000 0.692 4344 V N -2.266 117.813 119.914 0.274 0.000 3.051 4344 V HA 0.447 4.567 4.120 0.000 0.000 0.306 4344 V C -2.545 173.776 176.094 0.378 0.000 1.083 4344 V CA -2.753 59.680 62.300 0.222 0.000 1.104 4344 V CB -0.007 31.897 31.823 0.135 0.000 1.027 4344 V HN 0.116 nan 8.190 nan 0.000 0.483 4345 P HA 0.178 nan 4.420 nan 0.000 0.267 4345 P C -1.260 176.335 177.300 0.493 0.000 1.209 4345 P CA 0.599 63.890 63.100 0.319 0.000 0.763 4345 P CB -0.146 31.575 31.700 0.034 0.000 0.816 4346 Y N 3.968 124.445 120.300 0.295 0.000 2.350 4346 Y HA 0.536 5.086 4.550 0.000 0.000 0.338 4346 Y C -0.478 175.424 175.900 0.002 0.000 0.961 4346 Y CA -1.544 56.587 58.100 0.051 0.000 1.100 4346 Y CB 1.485 39.598 38.460 -0.578 0.000 1.179 4346 Y HN 0.205 nan 8.280 nan 0.000 0.454 4347 M N 8.042 127.613 119.600 -0.049 0.000 2.114 4347 M HA 0.519 4.999 4.480 0.000 0.000 0.332 4347 M C -2.144 173.863 176.300 -0.488 0.000 1.014 4347 M CA -0.595 54.425 55.300 -0.465 0.000 0.956 4347 M CB 0.751 32.721 32.600 -1.050 0.000 1.551 4347 M HN 0.417 nan 8.290 nan 0.000 0.427 4348 V N 3.853 123.432 119.914 -0.558 0.000 2.630 4348 V HA 0.971 5.091 4.120 0.000 0.000 0.305 4348 V C 0.377 176.099 176.094 -0.621 0.000 1.046 4348 V CA -0.542 61.409 62.300 -0.581 0.000 0.934 4348 V CB 1.755 33.186 31.823 -0.652 0.000 1.003 4348 V HN 0.993 nan 8.190 nan 0.000 0.451 4349 G N 3.027 111.392 108.800 -0.725 0.000 2.742 4349 G HA2 0.735 4.695 3.960 0.000 0.000 0.296 4349 G HA3 0.735 4.695 3.960 0.000 0.000 0.296 4349 G C -1.424 173.095 174.900 -0.635 0.000 1.436 4349 G CA -0.545 43.699 45.100 -1.428 0.000 0.928 4349 G HN 0.935 nan 8.290 nan 0.000 0.520 4350 I N -1.800 118.547 120.570 -0.372 0.000 3.145 4350 I HA 0.628 4.798 4.170 0.000 0.000 0.313 4350 I C -0.776 175.435 176.117 0.157 0.000 1.122 4350 I CA -1.421 59.849 61.300 -0.050 0.000 0.987 4350 I CB 2.484 40.473 38.000 -0.018 0.000 1.236 4350 I HN 0.409 nan 8.210 nan 0.000 0.453 4351 N N 1.721 120.500 118.700 0.133 0.000 2.492 4351 N HA 0.187 4.927 4.740 0.000 0.000 0.289 4351 N C 0.191 175.807 175.510 0.178 0.000 1.133 4351 N CA -0.767 52.417 53.050 0.223 0.000 0.961 4351 N CB 1.821 40.409 38.487 0.168 0.000 1.186 4351 N HN 0.535 nan 8.380 nan 0.000 0.493 4352 K N 0.951 121.457 120.400 0.177 0.000 2.089 4352 K HA -0.191 4.129 4.320 0.000 0.000 0.210 4352 K C -0.008 176.676 176.600 0.141 0.000 1.048 4352 K CA 1.879 58.246 56.287 0.134 0.000 0.926 4352 K CB 0.105 32.658 32.500 0.088 0.000 0.714 4352 K HN 0.566 nan 8.250 nan 0.000 0.448 4353 Q N -0.019 119.873 119.800 0.153 0.000 3.122 4353 Q HA 0.115 4.455 4.340 0.000 0.000 0.282 4353 Q C -0.291 175.834 176.000 0.208 0.000 0.947 4353 Q CA -0.315 55.595 55.803 0.179 0.000 0.812 4353 Q CB 1.467 30.302 28.738 0.162 0.000 1.333 4353 Q HN 0.124 nan 8.270 nan 0.000 0.430 4354 E N 0.266 120.598 120.200 0.220 0.000 2.160 4354 E HA -0.173 4.177 4.350 0.000 0.000 0.195 4354 E C 0.499 177.318 176.600 0.365 0.000 0.991 4354 E CA 1.260 57.795 56.400 0.225 0.000 0.810 4354 E CB 0.177 29.990 29.700 0.187 0.000 0.742 4354 E HN 0.467 nan 8.360 nan 0.000 0.466 4355 F N 0.175 120.230 119.950 0.174 0.000 2.708 4355 F HA 0.299 4.826 4.527 0.000 0.000 0.300 4355 F C 1.709 177.567 175.800 0.096 0.000 1.118 4355 F CA -0.230 57.833 58.000 0.105 0.000 1.307 4355 F CB 0.574 39.596 39.000 0.038 0.000 0.986 4355 F HN -0.073 nan 8.300 nan 0.000 0.522 4356 G N 0.196 109.101 108.800 0.175 0.000 2.422 4356 G HA2 -0.270 3.690 3.960 0.000 0.000 0.218 4356 G HA3 -0.270 3.690 3.960 0.000 0.000 0.218 4356 G C 1.013 176.037 174.900 0.207 0.000 1.146 4356 G CA 1.429 46.637 45.100 0.181 0.000 0.769 4356 G HN 0.625 nan 8.290 nan 0.000 0.547 4357 W N -1.652 119.599 121.300 -0.082 0.000 5.574 4357 W HA 0.243 4.903 4.660 0.000 0.000 0.161 4357 W C 1.747 178.191 176.519 -0.126 0.000 2.152 4357 W CA 0.252 57.542 57.345 -0.090 0.000 1.951 4357 W CB -0.645 28.805 29.460 -0.015 0.000 0.653 4357 W HN 0.004 nan 8.180 nan 0.000 1.116 4358 L N 2.181 123.472 121.223 0.114 0.000 1.976 4358 L HA -0.254 4.086 4.340 0.000 0.000 0.223 4358 L C 2.118 178.771 176.870 -0.361 0.000 1.081 4358 L CA 3.045 57.809 54.840 -0.128 0.000 0.784 4358 L CB -1.303 40.914 42.059 0.265 0.000 0.896 4358 L HN 0.270 nan 8.230 nan 0.000 0.438 4359 I N 0.137 120.517 120.570 -0.317 0.000 2.052 4359 I HA -0.255 3.915 4.170 0.000 0.000 0.235 4359 I C -0.282 175.500 176.117 -0.558 0.000 1.046 4359 I CA 2.112 63.166 61.300 -0.409 0.000 1.308 4359 I CB -1.961 35.798 38.000 -0.401 0.000 1.031 4359 I HN 0.334 nan 8.210 nan 0.000 0.395 4360 P HA -0.196 nan 4.420 nan 0.000 0.217 4360 P C 1.152 178.187 177.300 -0.442 0.000 1.148 4360 P CA 1.449 64.068 63.100 -0.803 0.000 0.828 4360 P CB -0.146 30.941 31.700 -1.022 0.000 0.783 4364 M N -0.105 119.438 119.600 -0.095 0.000 2.383 4364 M HA 0.233 4.713 4.480 0.000 0.000 0.247 4364 M C 0.282 176.644 176.300 0.103 0.000 1.117 4364 M CA 0.128 55.445 55.300 0.029 0.000 0.995 4364 M CB 0.748 33.401 32.600 0.088 0.000 1.480 4364 M HN 0.162 nan 8.290 nan 0.000 0.485 4365 S N 0.857 116.586 115.700 0.047 0.000 3.527 4365 S HA -0.177 4.293 4.470 0.000 0.000 0.409 4365 S C -0.699 174.006 174.600 0.174 0.000 0.900 4365 S CA 0.347 58.590 58.200 0.072 0.000 1.320 4365 S CB -1.577 61.648 63.200 0.040 0.000 0.915 4365 S HN 0.408 nan 8.310 nan 0.000 0.575 4366 Y N 1.416 121.712 120.300 -0.007 0.000 2.299 4366 Y HA 0.433 4.983 4.550 0.000 0.000 0.326 4366 Y C -1.914 174.011 175.900 0.042 0.000 1.164 4366 Y CA -1.951 56.180 58.100 0.051 0.000 1.234 4366 Y CB 0.698 39.215 38.460 0.095 0.000 1.219 4366 Y HN 0.109 nan 8.280 nan 0.000 0.497 4367 P HA 0.297 nan 4.420 nan 0.000 0.232 4367 P C -0.678 176.667 177.300 0.075 0.000 1.814 4367 P CA 0.351 63.473 63.100 0.038 0.000 1.085 4367 P CB -0.149 31.536 31.700 -0.025 0.000 1.901 4368 L N 0.705 122.002 121.223 0.124 0.000 3.193 4368 L HA 0.125 4.465 4.340 0.000 0.000 0.305 4368 L C 1.585 178.516 176.870 0.102 0.000 1.299 4368 L CA -0.006 54.912 54.840 0.131 0.000 0.904 4368 L CB 0.272 42.460 42.059 0.215 0.000 1.331 4368 L HN 0.167 nan 8.230 nan 0.000 0.588 4369 S N -1.267 114.478 115.700 0.074 0.000 2.382 4369 S HA -0.122 4.348 4.470 0.000 0.000 0.228 4369 S C 1.475 176.112 174.600 0.061 0.000 1.027 4369 S CA 0.826 59.065 58.200 0.065 0.000 0.991 4369 S CB -0.010 63.219 63.200 0.048 0.000 0.823 4369 S HN 0.389 nan 8.310 nan 0.000 0.469 4370 E N 1.210 121.442 120.200 0.052 0.000 2.516 4370 E HA 0.100 4.450 4.350 0.000 0.000 0.199 4370 E C 1.679 178.312 176.600 0.056 0.000 1.069 4370 E CA 0.562 56.990 56.400 0.046 0.000 0.876 4370 E CB -0.727 28.992 29.700 0.033 0.000 0.843 4370 E HN 0.741 nan 8.360 nan 0.000 0.530 4371 G N 1.949 110.794 108.800 0.075 0.000 2.230 4371 G HA2 -0.356 3.604 3.960 0.000 0.000 0.270 4371 G HA3 -0.356 3.604 3.960 0.000 0.000 0.270 4371 G C 0.406 175.354 174.900 0.080 0.000 0.987 4371 G CA 1.488 46.641 45.100 0.089 0.000 0.664 4371 G HN 0.474 nan 8.290 nan 0.000 0.539 4372 Q N -1.358 118.478 119.800 0.060 0.000 2.297 4372 Q HA 0.884 5.224 4.340 0.000 0.000 0.269 4372 Q C -1.040 174.979 176.000 0.032 0.000 1.051 4372 Q CA -1.270 54.562 55.803 0.049 0.000 0.869 4372 Q CB 2.528 31.287 28.738 0.036 0.000 1.346 4372 Q HN 0.518 nan 8.270 nan 0.000 0.457 4373 L N 1.620 122.857 121.223 0.024 0.000 2.614 4373 L HA 0.280 4.620 4.340 0.000 0.000 0.264 4373 L C -2.174 174.692 176.870 -0.008 0.000 0.940 4373 L CA -0.143 54.688 54.840 -0.014 0.000 0.903 4373 L CB 2.250 44.282 42.059 -0.045 0.000 1.306 4373 L HN 0.887 nan 8.230 nan 0.000 0.410 4374 D N 2.457 122.845 120.400 -0.020 0.000 2.198 4374 D HA 0.237 4.877 4.640 0.000 0.000 0.245 4374 D C 0.581 176.873 176.300 -0.013 0.000 1.079 4374 D CA -0.597 53.400 54.000 -0.006 0.000 0.854 4374 D CB 1.189 41.987 40.800 -0.003 0.000 1.148 4374 D HN 0.494 nan 8.370 nan 0.000 0.456 4375 Q N 1.154 120.959 119.800 0.009 0.000 2.318 4375 Q HA -0.353 3.987 4.340 0.000 0.000 0.216 4375 Q C 1.519 177.525 176.000 0.010 0.000 1.004 4375 Q CA 1.854 57.670 55.803 0.021 0.000 0.932 4375 Q CB -0.103 28.655 28.738 0.033 0.000 0.946 4375 Q HN 0.698 nan 8.270 nan 0.000 0.419 4376 K N -0.291 120.109 120.400 -0.001 0.000 2.076 4376 K HA -0.068 4.252 4.320 0.000 0.000 0.204 4376 K C 1.887 178.478 176.600 -0.015 0.000 1.051 4376 K CA 1.459 57.744 56.287 -0.003 0.000 0.949 4376 K CB 0.132 32.630 32.500 -0.003 0.000 0.726 4376 K HN 0.038 nan 8.250 nan 0.000 0.443 4377 T N 0.792 115.324 114.554 -0.036 0.000 2.951 4377 T HA -0.002 4.348 4.350 0.000 0.000 0.268 4377 T C 1.769 176.396 174.700 -0.121 0.000 1.073 4377 T CA 0.955 63.018 62.100 -0.061 0.000 1.134 4377 T CB -0.091 68.737 68.868 -0.067 0.000 0.884 4377 T HN 0.381 nan 8.240 nan 0.000 0.479 4378 A N 1.569 124.297 122.820 -0.153 0.000 1.902 4378 A HA -0.028 4.292 4.320 0.000 0.000 0.217 4378 A C 2.298 179.846 177.584 -0.061 0.000 1.181 4378 A CA 1.345 53.211 52.037 -0.285 0.000 0.623 4378 A CB -0.599 18.305 19.000 -0.161 0.000 0.818 4378 A HN 0.439 nan 8.150 nan 0.000 0.443 4379 M N 0.271 119.892 119.600 0.036 0.000 2.132 4379 M HA -0.139 4.341 4.480 0.000 0.000 0.263 4379 M C 2.552 178.940 176.300 0.147 0.000 1.065 4379 M CA 1.762 57.131 55.300 0.115 0.000 1.122 4379 M CB -0.434 32.210 32.600 0.074 0.000 1.365 4379 M HN 0.655 nan 8.290 nan 0.000 0.411 4380 S N 0.965 116.719 115.700 0.090 0.000 2.368 4380 S HA -0.116 4.354 4.470 0.000 0.000 0.225 4380 S C 1.858 176.555 174.600 0.163 0.000 1.030 4380 S CA 1.023 59.303 58.200 0.134 0.000 0.999 4380 S CB -0.861 62.380 63.200 0.068 0.000 0.844 4380 S HN 0.458 nan 8.310 nan 0.000 0.459 4381 L N 0.209 121.472 121.223 0.066 0.000 1.994 4381 L HA -0.025 4.315 4.340 0.000 0.000 0.208 4381 L C 2.700 179.713 176.870 0.238 0.000 1.071 4381 L CA 1.181 56.056 54.840 0.059 0.000 0.745 4381 L CB -0.672 41.336 42.059 -0.085 0.000 0.892 4381 L HN 0.324 nan 8.230 nan 0.000 0.431 4382 L N -0.549 120.898 121.223 0.373 0.000 2.129 4382 L HA -0.286 4.054 4.340 0.000 0.000 0.212 4382 L C 2.157 179.262 176.870 0.392 0.000 1.087 4382 L CA 1.807 56.915 54.840 0.447 0.000 0.757 4382 L CB -0.602 41.734 42.059 0.462 0.000 0.896 4382 L HN 0.365 nan 8.230 nan 0.000 0.434 4383 W N 0.094 121.484 121.300 0.150 0.000 2.408 4383 W HA -0.199 4.461 4.660 0.000 0.000 0.311 4383 W C 2.087 178.681 176.519 0.125 0.000 1.190 4383 W CA 0.684 58.105 57.345 0.127 0.000 1.321 4383 W CB 0.051 29.551 29.460 0.067 0.000 1.143 4383 W HN -0.020 nan 8.180 nan 0.000 0.501 4384 K N 0.790 121.184 120.400 -0.011 0.000 2.281 4384 K HA -0.141 4.179 4.320 0.000 0.000 0.203 4384 K C 1.685 178.220 176.600 -0.108 0.000 1.046 4384 K CA 1.632 57.821 56.287 -0.162 0.000 0.938 4384 K CB -0.875 31.571 32.500 -0.089 0.000 0.737 4384 K HN 0.222 nan 8.250 nan 0.000 0.458 4385 S N -0.357 115.348 115.700 0.009 0.000 2.679 4385 S HA 0.002 4.472 4.470 0.000 0.000 0.233 4385 S C 1.476 176.088 174.600 0.019 0.000 0.951 4385 S CA -0.516 57.720 58.200 0.060 0.000 0.973 4385 S CB -0.380 62.932 63.200 0.186 0.000 0.778 4385 S HN 0.248 nan 8.310 nan 0.000 0.477 4386 Y N 4.149 124.341 120.300 -0.180 0.000 2.102 4386 Y HA -0.090 4.461 4.550 0.000 0.000 0.280 4386 Y C -0.961 174.856 175.900 -0.138 0.000 1.178 4386 Y CA 1.733 59.715 58.100 -0.198 0.000 1.146 4386 Y CB -1.378 36.795 38.460 -0.477 0.000 0.968 4386 Y HN 0.288 nan 8.280 nan 0.000 0.504 4387 P HA -0.161 nan 4.420 nan 0.000 0.229 4387 P C 1.113 178.283 177.300 -0.217 0.000 1.150 4387 P CA 1.571 64.545 63.100 -0.209 0.000 0.765 4387 P CB -0.091 31.571 31.700 -0.063 0.000 0.783 4388 L N -1.012 120.091 121.223 -0.199 0.000 2.445 4388 L HA 0.054 4.394 4.340 0.000 0.000 0.207 4388 L C 2.377 179.081 176.870 -0.278 0.000 1.053 4388 L CA 0.609 55.330 54.840 -0.199 0.000 0.841 4388 L CB -0.243 41.741 42.059 -0.124 0.000 1.074 4388 L HN -0.173 nan 8.230 nan 0.000 0.479 4389 V N -5.390 114.368 119.914 -0.260 0.000 3.644 4389 V HA 0.136 4.256 4.120 0.000 0.000 0.267 4389 V C 1.110 177.101 176.094 -0.172 0.000 1.277 4389 V CA -0.595 61.564 62.300 -0.234 0.000 1.096 4389 V CB -0.272 31.430 31.823 -0.203 0.000 0.828 4389 V HN 0.474 nan 8.190 nan 0.000 0.446 4390 C N 1.469 120.536 119.300 -0.388 0.000 3.727 4390 C HA -0.171 4.290 4.460 0.000 0.000 0.293 4390 C C 0.478 175.483 174.990 0.026 0.000 1.339 4390 C CA 0.296 58.966 59.018 -0.580 0.000 2.150 4390 C CB -2.753 24.667 27.740 -0.533 0.000 1.383 4390 C HN 0.670 nan 8.230 nan 0.000 0.614 4391 I N 1.523 122.302 120.570 0.348 0.000 2.330 4391 I HA 0.468 4.638 4.170 0.000 0.000 0.289 4391 I C 0.991 177.511 176.117 0.671 0.000 1.001 4391 I CA -0.042 61.591 61.300 0.556 0.000 1.193 4391 I CB 1.202 39.491 38.000 0.482 0.000 1.345 4391 I HN 0.555 nan 8.210 nan 0.000 0.461 4392 A N 6.107 129.241 122.820 0.522 0.000 2.583 4392 A HA -0.051 4.269 4.320 0.000 0.000 0.231 4392 A C 1.435 179.167 177.584 0.247 0.000 1.065 4392 A CA 0.215 52.479 52.037 0.379 0.000 0.760 4392 A CB 0.160 19.295 19.000 0.225 0.000 1.001 4392 A HN 0.907 nan 8.150 nan 0.000 0.509 4393 K N 0.293 120.661 120.400 -0.054 0.000 2.362 4393 K HA -0.149 4.171 4.320 0.000 0.000 0.200 4393 K C 1.338 177.799 176.600 -0.232 0.000 1.046 4393 K CA 1.832 57.806 56.287 -0.522 0.000 0.952 4393 K CB -0.052 31.745 32.500 -1.171 0.000 0.753 4393 K HN 0.816 nan 8.250 nan 0.000 0.466 4394 E N 0.399 120.545 120.200 -0.090 0.000 2.072 4394 E HA -0.110 4.240 4.350 0.000 0.000 0.190 4394 E C 1.550 178.155 176.600 0.008 0.000 0.982 4394 E CA 1.007 57.381 56.400 -0.044 0.000 0.803 4394 E CB 0.034 29.727 29.700 -0.011 0.000 0.755 4394 E HN 0.253 nan 8.360 nan 0.000 0.453 4395 L N 0.825 122.088 121.223 0.067 0.000 2.554 4395 L HA 0.010 4.350 4.340 0.000 0.000 0.226 4395 L C 1.752 178.697 176.870 0.126 0.000 1.137 4395 L CA -0.181 54.718 54.840 0.097 0.000 0.863 4395 L CB -0.263 41.881 42.059 0.141 0.000 0.985 4395 L HN 0.157 nan 8.230 nan 0.000 0.451 4396 I N 1.151 121.794 120.570 0.122 0.000 2.099 4396 I HA -0.182 3.988 4.170 0.000 0.000 0.239 4396 I C 0.126 176.316 176.117 0.122 0.000 1.066 4396 I CA 1.979 63.372 61.300 0.155 0.000 1.324 4396 I CB -2.194 35.875 38.000 0.115 0.000 1.037 4396 I HN 0.172 nan 8.210 nan 0.000 0.401 4397 P HA -0.183 nan 4.420 nan 0.000 0.216 4397 P C 1.677 179.019 177.300 0.070 0.000 1.150 4397 P CA 1.464 64.598 63.100 0.056 0.000 0.837 4397 P CB -0.002 31.711 31.700 0.020 0.000 0.786 4398 E N -0.436 119.807 120.200 0.072 0.000 2.031 4398 E HA -0.184 4.166 4.350 0.000 0.000 0.193 4398 E C 2.000 178.668 176.600 0.114 0.000 0.994 4398 E CA 1.240 57.687 56.400 0.078 0.000 0.800 4398 E CB -0.534 29.207 29.700 0.068 0.000 0.752 4398 E HN 0.050 nan 8.360 nan 0.000 0.447 4399 A N 0.248 123.156 122.820 0.147 0.000 1.902 4399 A HA -0.172 4.148 4.320 0.000 0.000 0.217 4399 A C 2.363 180.055 177.584 0.179 0.000 1.181 4399 A CA 2.076 54.220 52.037 0.178 0.000 0.623 4399 A CB -0.961 18.177 19.000 0.230 0.000 0.818 4399 A HN 0.355 nan 8.150 nan 0.000 0.443 4400 T N -0.450 114.212 114.554 0.180 0.000 2.746 4400 T HA -0.148 4.202 4.350 0.000 0.000 0.267 4400 T C 1.877 176.669 174.700 0.153 0.000 1.039 4400 T CA 1.747 63.961 62.100 0.191 0.000 1.142 4400 T CB -0.205 68.763 68.868 0.167 0.000 0.866 4400 T HN 0.649 nan 8.240 nan 0.000 0.444 4401 E N 1.272 121.529 120.200 0.096 0.000 2.072 4401 E HA -0.099 4.251 4.350 0.000 0.000 0.191 4401 E C 2.072 178.680 176.600 0.012 0.000 0.985 4401 E CA 1.080 57.511 56.400 0.051 0.000 0.801 4401 E CB -0.177 29.539 29.700 0.026 0.000 0.750 4401 E HN 0.252 nan 8.360 nan 0.000 0.452 4402 K N -1.057 119.322 120.400 -0.034 0.000 2.211 4402 K HA -0.158 4.162 4.320 0.000 0.000 0.204 4402 K C 1.236 177.734 176.600 -0.169 0.000 1.047 4402 K CA 1.431 57.588 56.287 -0.217 0.000 0.935 4402 K CB -0.305 31.843 32.500 -0.586 0.000 0.728 4402 K HN 0.267 nan 8.250 nan 0.000 0.452 4403 Y N -0.802 119.421 120.300 -0.128 0.000 2.351 4403 Y HA 0.205 4.755 4.550 0.000 0.000 0.291 4403 Y C 1.711 177.623 175.900 0.021 0.000 1.153 4403 Y CA 0.620 58.697 58.100 -0.038 0.000 1.193 4403 Y CB 0.188 38.683 38.460 0.058 0.000 1.187 4403 Y HN -0.154 nan 8.280 nan 0.000 0.524 4404 L N -1.159 120.202 121.223 0.231 0.000 2.240 4404 L HA 0.032 4.372 4.340 0.000 0.000 0.211 4404 L C 2.282 179.202 176.870 0.084 0.000 1.106 4404 L CA 1.207 56.145 54.840 0.163 0.000 0.793 4404 L CB -1.252 40.910 42.059 0.172 0.000 0.927 4404 L HN 0.335 nan 8.230 nan 0.000 0.446 4405 G N 0.417 109.251 108.800 0.056 0.000 2.527 4405 G HA2 -0.173 3.787 3.960 0.000 0.000 0.219 4405 G HA3 -0.173 3.787 3.960 0.000 0.000 0.219 4405 G C 1.526 176.428 174.900 0.004 0.000 1.117 4405 G CA 0.692 45.806 45.100 0.022 0.000 0.759 4405 G HN 0.488 nan 8.290 nan 0.000 0.556 4406 G N -0.271 108.527 108.800 -0.003 0.000 2.448 4406 G HA2 0.189 4.149 3.960 0.000 0.000 0.219 4406 G HA3 0.189 4.149 3.960 0.000 0.000 0.219 4406 G C 0.927 175.827 174.900 -0.000 0.000 1.127 4406 G CA 1.556 46.646 45.100 -0.016 0.000 0.766 4406 G HN 0.814 nan 8.290 nan 0.000 0.552 4407 T N -4.466 110.098 114.554 0.017 0.000 2.812 4407 T HA 0.477 4.827 4.350 0.000 0.000 0.294 4407 T C -0.573 174.142 174.700 0.025 0.000 1.159 4407 T CA -0.638 61.474 62.100 0.020 0.000 1.008 4407 T CB 2.209 71.093 68.868 0.026 0.000 1.289 4407 T HN -0.141 nan 8.240 nan 0.000 0.514 4408 D N 0.109 120.522 120.400 0.022 0.000 2.395 4408 D HA 0.107 4.747 4.640 0.000 0.000 0.213 4408 D C -0.466 175.849 176.300 0.026 0.000 1.110 4408 D CA -0.049 53.964 54.000 0.022 0.000 0.835 4408 D CB 0.440 41.250 40.800 0.015 0.000 0.965 4408 D HN 0.545 nan 8.370 nan 0.000 0.505 4409 D N 1.696 122.115 120.400 0.031 0.000 2.339 4409 D HA -0.013 4.627 4.640 0.000 0.000 0.241 4409 D C 1.674 178.000 176.300 0.044 0.000 1.183 4409 D CA 0.053 54.074 54.000 0.035 0.000 0.859 4409 D CB 1.480 42.301 40.800 0.036 0.000 1.067 4409 D HN 0.010 nan 8.370 nan 0.000 0.484 4410 T N 0.574 115.152 114.554 0.039 0.000 2.759 4410 T HA -0.154 4.196 4.350 0.000 0.000 0.269 4410 T C 1.908 176.642 174.700 0.057 0.000 1.042 4410 T CA 1.021 63.146 62.100 0.042 0.000 1.140 4410 T CB -0.264 68.623 68.868 0.031 0.000 0.864 4410 T HN 0.216 nan 8.240 nan 0.000 0.455 4411 V N 1.413 121.361 119.914 0.056 0.000 2.548 4411 V HA -0.003 4.117 4.120 0.000 0.000 0.249 4411 V C 2.777 178.923 176.094 0.086 0.000 1.055 4411 V CA 1.733 64.074 62.300 0.069 0.000 1.065 4411 V CB -0.622 31.235 31.823 0.057 0.000 0.681 4411 V HN 0.523 nan 8.190 nan 0.000 0.462 4412 K N 0.054 120.501 120.400 0.078 0.000 2.228 4412 K HA -0.097 4.223 4.320 0.000 0.000 0.202 4412 K C 2.177 178.848 176.600 0.118 0.000 1.051 4412 K CA 0.881 57.221 56.287 0.089 0.000 0.960 4412 K CB 0.037 32.578 32.500 0.068 0.000 0.743 4412 K HN 0.389 nan 8.250 nan 0.000 0.458 4413 K N 0.752 121.219 120.400 0.113 0.000 2.057 4413 K HA -0.138 4.182 4.320 0.000 0.000 0.206 4413 K C 2.107 178.828 176.600 0.200 0.000 1.050 4413 K CA 1.048 57.421 56.287 0.142 0.000 0.935 4413 K CB -0.052 32.509 32.500 0.101 0.000 0.715 4413 K HN 0.033 nan 8.250 nan 0.000 0.439 4414 K N 1.215 121.717 120.400 0.168 0.000 2.152 4414 K HA -0.201 4.119 4.320 0.000 0.000 0.206 4414 K C 1.074 177.853 176.600 0.298 0.000 1.048 4414 K CA 1.624 58.044 56.287 0.221 0.000 0.933 4414 K CB 0.065 32.662 32.500 0.162 0.000 0.721 4414 K HN 0.121 nan 8.250 nan 0.000 0.447 4415 D N 0.478 121.016 120.400 0.230 0.000 2.249 4415 D HA -0.036 4.604 4.640 0.000 0.000 0.205 4415 D C 1.979 178.425 176.300 0.244 0.000 0.962 4415 D CA 0.505 54.638 54.000 0.222 0.000 0.860 4415 D CB 0.160 41.056 40.800 0.161 0.000 0.955 4415 D HN 0.230 nan 8.370 nan 0.000 0.505 4416 L N 0.041 121.416 121.223 0.254 0.000 2.156 4416 L HA -0.082 4.258 4.340 0.000 0.000 0.208 4416 L C 2.296 179.384 176.870 0.363 0.000 1.095 4416 L CA 0.402 55.415 54.840 0.289 0.000 0.770 4416 L CB -0.289 41.919 42.059 0.249 0.000 0.914 4416 L HN -0.039 nan 8.230 nan 0.000 0.439 4417 F N 0.993 121.060 119.950 0.195 0.000 2.134 4417 F HA -0.202 4.325 4.527 0.000 0.000 0.299 4417 F C 2.094 177.976 175.800 0.137 0.000 1.097 4417 F CA 1.509 59.603 58.000 0.157 0.000 1.264 4417 F CB -0.179 38.917 39.000 0.161 0.000 1.001 4417 F HN -0.119 nan 8.300 nan 0.000 0.479 4418 L N -0.210 121.083 121.223 0.117 0.000 2.093 4418 L HA -0.186 4.154 4.340 0.000 0.000 0.208 4418 L C 2.149 179.035 176.870 0.027 0.000 1.085 4418 L CA 1.291 56.167 54.840 0.059 0.000 0.755 4418 L CB -1.028 41.215 42.059 0.307 0.000 0.904 4418 L HN 0.069 nan 8.230 nan 0.000 0.435 4419 D N 0.447 120.934 120.400 0.144 0.000 2.149 4419 D HA -0.193 4.447 4.640 0.000 0.000 0.198 4419 D C 2.103 178.487 176.300 0.141 0.000 0.990 4419 D CA 1.180 55.311 54.000 0.218 0.000 0.839 4419 D CB -0.024 40.982 40.800 0.343 0.000 0.948 4419 D HN 0.178 nan 8.370 nan 0.000 0.460 4420 L N 0.988 122.132 121.223 -0.132 0.000 1.948 4420 L HA -0.144 4.196 4.340 0.000 0.000 0.212 4420 L C 2.348 178.925 176.870 -0.488 0.000 1.074 4420 L CA 1.417 55.874 54.840 -0.639 0.000 0.753 4420 L CB -0.608 41.027 42.059 -0.707 0.000 0.888 4420 L HN -0.040 nan 8.230 nan 0.000 0.432 4421 I N -0.141 120.065 120.570 -0.606 0.000 2.145 4421 I HA -0.394 3.776 4.170 0.000 0.000 0.244 4421 I C 2.534 178.326 176.117 -0.542 0.000 1.075 4421 I CA 1.542 62.403 61.300 -0.732 0.000 1.332 4421 I CB -0.761 36.497 38.000 -1.237 0.000 1.033 4421 I HN 0.466 nan 8.210 nan 0.000 0.410 4422 A N 0.013 122.676 122.820 -0.263 0.000 1.968 4422 A HA -0.190 4.130 4.320 0.000 0.000 0.217 4422 A C 1.900 179.499 177.584 0.025 0.000 1.169 4422 A CA 1.693 53.763 52.037 0.056 0.000 0.638 4422 A CB -0.418 18.745 19.000 0.271 0.000 0.812 4422 A HN 0.343 nan 8.150 nan 0.000 0.446 4423 D N -0.338 120.037 120.400 -0.041 0.000 2.178 4423 D HA -0.070 4.570 4.640 0.000 0.000 0.202 4423 D C 1.981 178.127 176.300 -0.256 0.000 0.974 4423 D CA 1.141 55.131 54.000 -0.016 0.000 0.841 4423 D CB -0.179 40.739 40.800 0.197 0.000 0.953 4423 D HN 0.221 nan 8.370 nan 0.000 0.478 4424 V N 0.651 120.250 119.914 -0.525 0.000 2.548 4424 V HA -0.154 3.966 4.120 0.000 0.000 0.249 4424 V C 2.306 178.120 176.094 -0.467 0.000 1.055 4424 V CA 1.189 63.076 62.300 -0.688 0.000 1.065 4424 V CB -0.224 31.072 31.823 -0.879 0.000 0.681 4424 V HN 0.208 nan 8.190 nan 0.000 0.462 4425 M N -1.983 117.306 119.600 -0.519 0.000 2.429 4425 M HA 0.127 4.607 4.480 0.000 0.000 0.265 4425 M C 1.814 177.603 176.300 -0.852 0.000 1.120 4425 M CA 1.825 56.665 55.300 -0.767 0.000 1.173 4425 M CB -0.033 31.904 32.600 -1.105 0.000 1.343 4425 M HN 0.329 nan 8.290 nan 0.000 0.464 4426 F N -1.095 118.817 119.950 -0.063 0.000 2.537 4426 F HA 0.352 4.879 4.527 0.000 0.000 0.275 4426 F C 2.443 178.212 175.800 -0.052 0.000 0.947 4426 F CA 0.248 58.232 58.000 -0.027 0.000 1.238 4426 F CB -1.230 37.798 39.000 0.047 0.000 1.071 4426 F HN 0.047 nan 8.300 nan 0.000 0.749 4427 G N 1.076 109.963 108.800 0.146 0.000 2.639 4427 G HA2 -0.223 3.737 3.960 0.000 0.000 0.216 4427 G HA3 -0.223 3.737 3.960 0.000 0.000 0.216 4427 G C 1.735 176.641 174.900 0.009 0.000 1.267 4427 G CA 1.753 46.890 45.100 0.061 0.000 0.801 4427 G HN 0.141 nan 8.290 nan 0.000 0.592 4428 V N 2.427 122.345 119.914 0.006 0.000 2.231 4428 V HA -0.158 3.962 4.120 0.000 0.000 0.248 4428 V C 0.517 176.606 176.094 -0.009 0.000 1.054 4428 V CA 2.611 64.924 62.300 0.021 0.000 1.015 4428 V CB -1.295 30.538 31.823 0.017 0.000 0.638 4428 V HN 0.303 nan 8.190 nan 0.000 0.444 4429 P HA -0.125 nan 4.420 nan 0.000 0.215 4429 P C 2.051 179.314 177.300 -0.062 0.000 1.157 4429 P CA 1.978 65.042 63.100 -0.059 0.000 0.874 4429 P CB -0.114 31.523 31.700 -0.106 0.000 0.790 4430 S N -0.903 114.758 115.700 -0.064 0.000 2.368 4430 S HA -0.110 4.360 4.470 0.000 0.000 0.225 4430 S C 1.953 176.456 174.600 -0.162 0.000 1.030 4430 S CA 1.288 59.416 58.200 -0.119 0.000 0.999 4430 S CB -1.172 61.956 63.200 -0.120 0.000 0.844 4430 S HN -0.045 nan 8.310 nan 0.000 0.459 4431 V N 1.977 121.822 119.914 -0.116 0.000 2.358 4431 V HA -0.138 3.982 4.120 0.000 0.000 0.246 4431 V C 2.049 178.125 176.094 -0.031 0.000 1.047 4431 V CA 1.388 63.625 62.300 -0.105 0.000 1.035 4431 V CB -0.688 31.119 31.823 -0.026 0.000 0.658 4431 V HN 0.437 nan 8.190 nan 0.000 0.452 4432 I N 0.029 120.596 120.570 -0.005 0.000 2.142 4432 I HA -0.211 3.959 4.170 0.000 0.000 0.240 4432 I C 2.415 178.534 176.117 0.004 0.000 1.078 4432 I CA 1.439 62.754 61.300 0.024 0.000 1.343 4432 I CB -0.495 37.519 38.000 0.024 0.000 1.046 4432 I HN 0.143 nan 8.210 nan 0.000 0.405 4433 V N 1.253 121.141 119.914 -0.042 0.000 2.453 4433 V HA -0.332 3.788 4.120 0.000 0.000 0.252 4433 V C 2.647 178.711 176.094 -0.049 0.000 1.068 4433 V CA 1.988 64.254 62.300 -0.057 0.000 1.070 4433 V CB -1.193 30.579 31.823 -0.085 0.000 0.664 4433 V HN 0.525 nan 8.190 nan 0.000 0.461 4434 A N -0.183 122.570 122.820 -0.113 0.000 1.929 4434 A HA -0.156 4.164 4.320 0.000 0.000 0.216 4434 A C 2.416 180.075 177.584 0.125 0.000 1.176 4434 A CA 1.480 53.426 52.037 -0.151 0.000 0.628 4434 A CB -0.386 18.334 19.000 -0.466 0.000 0.816 4434 A HN 0.504 nan 8.150 nan 0.000 0.444 4435 R N -0.471 120.141 120.500 0.186 0.000 2.073 4435 R HA -0.077 4.263 4.340 0.000 0.000 0.229 4435 R C 1.966 178.385 176.300 0.198 0.000 1.120 4435 R CA 1.591 57.846 56.100 0.258 0.000 0.967 4435 R CB -0.396 30.022 30.300 0.197 0.000 0.862 4435 R HN 0.596 nan 8.270 nan 0.000 0.436 4436 N N -0.329 118.467 118.700 0.160 0.000 2.120 4436 N HA -0.180 4.560 4.740 0.000 0.000 0.188 4436 N C 1.656 177.346 175.510 0.301 0.000 1.024 4436 N CA 1.245 54.403 53.050 0.179 0.000 0.852 4436 N CB -0.180 38.374 38.487 0.112 0.000 1.003 4436 N HN 0.263 nan 8.380 nan 0.000 0.424 4437 H N 0.658 119.860 119.070 0.220 0.000 2.353 4437 H HA 0.019 4.575 4.556 0.000 0.000 0.300 4437 H C 2.232 177.746 175.328 0.310 0.000 1.090 4437 H CA 1.554 57.834 56.048 0.387 0.000 1.327 4437 H CB 0.132 30.088 29.762 0.323 0.000 1.383 4437 H HN 0.048 nan 8.280 nan 0.000 0.508 4438 R N 0.430 121.134 120.500 0.341 0.000 2.080 4438 R HA -0.136 4.204 4.340 0.000 0.000 0.236 4438 R C 1.025 177.404 176.300 0.132 0.000 1.137 4438 R CA 2.029 58.270 56.100 0.234 0.000 0.943 4438 R CB -0.207 30.238 30.300 0.242 0.000 0.846 4438 R HN 0.418 nan 8.270 nan 0.000 0.431 4439 D N 0.113 120.590 120.400 0.128 0.000 2.392 4439 D HA -0.064 4.576 4.640 0.000 0.000 0.228 4439 D C 1.183 177.511 176.300 0.047 0.000 1.003 4439 D CA 0.917 54.963 54.000 0.077 0.000 0.917 4439 D CB 0.251 41.098 40.800 0.079 0.000 0.890 4439 D HN 0.423 nan 8.370 nan 0.000 0.532 4440 A N -0.137 122.708 122.820 0.042 0.000 2.178 4440 A HA 0.408 4.728 4.320 0.000 0.000 0.211 4440 A C 1.745 179.260 177.584 -0.116 0.000 1.157 4440 A CA 0.905 52.896 52.037 -0.077 0.000 0.780 4440 A CB 0.162 19.039 19.000 -0.204 0.000 0.828 4440 A HN 0.230 nan 8.150 nan 0.000 0.476 4441 G N -2.274 106.494 108.800 -0.054 0.000 2.135 4441 G HA2 0.239 4.199 3.960 0.000 0.000 0.183 4441 G HA3 0.239 4.199 3.960 0.000 0.000 0.183 4441 G C 0.149 175.032 174.900 -0.028 0.000 1.004 4441 G CA 0.117 45.192 45.100 -0.041 0.000 0.677 4441 G HN 1.488 nan 8.290 nan 0.000 0.512 4442 A N -0.178 122.634 122.820 -0.013 0.000 2.337 4442 A HA 0.928 5.248 4.320 0.000 0.000 0.331 4442 A C -2.547 175.153 177.584 0.194 0.000 1.137 4442 A CA -1.718 50.363 52.037 0.073 0.000 0.807 4442 A CB 1.356 20.360 19.000 0.007 0.000 1.250 4442 A HN 0.062 nan 8.150 nan 0.000 0.468 4443 P HA 0.311 nan 4.420 nan 0.000 0.271 4443 P C -0.669 176.784 177.300 0.255 0.000 1.220 4443 P CA 0.572 63.785 63.100 0.188 0.000 0.768 4443 P CB 0.886 32.724 31.700 0.231 0.000 0.848 4444 T N 3.126 117.704 114.554 0.040 0.000 2.921 4444 T HA 0.491 4.841 4.350 0.000 0.000 0.297 4444 T C -1.166 173.363 174.700 -0.286 0.000 1.013 4444 T CA -0.287 61.837 62.100 0.041 0.000 0.990 4444 T CB 0.608 69.589 68.868 0.189 0.000 1.023 4444 T HN 0.101 nan 8.240 nan 0.000 0.447 4445 Y N 1.702 121.953 120.300 -0.081 0.000 2.425 4445 Y HA 0.714 5.264 4.550 0.000 0.000 0.344 4445 Y C 0.081 175.930 175.900 -0.085 0.000 0.969 4445 Y CA -1.054 56.970 58.100 -0.128 0.000 1.052 4445 Y CB 2.026 40.103 38.460 -0.639 0.000 1.215 4445 Y HN 0.381 nan 8.280 nan 0.000 0.451 4446 M N 3.487 123.288 119.600 0.335 0.000 2.619 4446 M HA 0.533 5.013 4.480 0.000 0.000 0.297 4446 M C -1.559 175.008 176.300 0.445 0.000 1.229 4446 M CA -0.995 54.369 55.300 0.106 0.000 0.860 4446 M CB 3.273 35.698 32.600 -0.292 0.000 1.741 4446 M HN 0.784 nan 8.290 nan 0.000 0.462 4447 Y N -1.610 118.827 120.300 0.229 0.000 2.638 4447 Y HA 0.658 5.208 4.550 0.000 0.000 0.335 4447 Y C -1.520 174.498 175.900 0.196 0.000 1.155 4447 Y CA -0.964 57.267 58.100 0.219 0.000 1.046 4447 Y CB 1.564 40.090 38.460 0.110 0.000 1.303 4447 Y HN 0.646 nan 8.280 nan 0.000 0.460 4448 E N 2.683 123.223 120.200 0.566 0.000 2.402 4448 E HA 0.232 4.582 4.350 0.000 0.000 0.244 4448 E C -2.027 174.844 176.600 0.452 0.000 0.945 4448 E CA -0.736 55.915 56.400 0.418 0.000 0.774 4448 E CB 0.961 30.855 29.700 0.324 0.000 1.296 4448 E HN 0.627 nan 8.360 nan 0.000 0.414 4449 F N 3.266 123.436 119.950 0.367 0.000 2.467 4449 F HA 0.143 4.670 4.527 0.000 0.000 0.362 4449 F C -0.036 175.859 175.800 0.159 0.000 1.090 4449 F CA 0.324 58.443 58.000 0.199 0.000 1.202 4449 F CB 0.780 39.881 39.000 0.168 0.000 1.113 4449 F HN 0.403 nan 8.300 nan 0.000 0.541 4450 Q N 7.027 126.550 119.800 -0.461 0.000 2.695 4450 Q HA 0.278 4.618 4.340 0.000 0.000 0.246 4450 Q C -2.292 173.467 176.000 -0.402 0.000 0.961 4450 Q CA -0.624 54.990 55.803 -0.314 0.000 0.708 4450 Q CB 0.987 29.667 28.738 -0.097 0.000 1.282 4450 Q HN 0.791 nan 8.270 nan 0.000 0.482 4451 Y N 1.191 121.128 120.300 -0.606 0.000 2.474 4451 Y HA 0.330 4.880 4.550 0.000 0.000 0.326 4451 Y C -1.910 173.887 175.900 -0.172 0.000 1.160 4451 Y CA -0.793 57.065 58.100 -0.403 0.000 1.056 4451 Y CB 1.435 39.582 38.460 -0.521 0.000 1.330 4451 Y HN 0.531 nan 8.280 nan 0.000 0.447 4452 R N 7.513 127.621 120.500 -0.654 0.000 2.233 4452 R HA 0.442 4.782 4.340 0.000 0.000 0.334 4452 R C -2.678 173.386 176.300 -0.394 0.000 1.037 4452 R CA -1.903 53.969 56.100 -0.381 0.000 0.920 4452 R CB 0.658 30.750 30.300 -0.347 0.000 1.137 4452 R HN 0.411 nan 8.270 nan 0.000 0.492 4453 P HA -0.022 nan 4.420 nan 0.000 0.269 4453 P C 0.158 177.284 177.300 -0.289 0.000 1.209 4453 P CA 0.010 63.098 63.100 -0.020 0.000 0.776 4453 P CB 1.494 33.206 31.700 0.019 0.000 0.876 4454 S N 1.369 116.793 115.700 -0.461 0.000 2.453 4454 S HA -0.099 4.371 4.470 0.000 0.000 0.231 4454 S C 1.372 175.603 174.600 -0.616 0.000 1.005 4454 S CA 0.558 58.416 58.200 -0.571 0.000 0.949 4454 S CB -1.169 61.622 63.200 -0.681 0.000 0.774 4454 S HN 0.384 nan 8.310 nan 0.000 0.510 4455 F N 2.781 122.503 119.950 -0.380 0.000 2.802 4455 F HA 0.273 4.800 4.527 0.000 0.000 0.300 4455 F C 1.453 177.005 175.800 -0.413 0.000 1.168 4455 F CA -0.298 57.439 58.000 -0.439 0.000 1.433 4455 F CB -0.652 37.936 39.000 -0.687 0.000 1.115 4455 F HN 0.048 nan 8.300 nan 0.000 0.582 4456 S N -0.384 115.161 115.700 -0.259 0.000 2.587 4456 S HA 0.058 4.528 4.470 0.000 0.000 0.260 4456 S C 0.685 175.216 174.600 -0.115 0.000 1.353 4456 S CA -0.643 57.464 58.200 -0.155 0.000 0.995 4456 S CB 0.801 63.877 63.200 -0.208 0.000 0.912 4456 S HN 0.212 nan 8.310 nan 0.000 0.568 4457 S N -0.166 115.467 115.700 -0.111 0.000 2.596 4457 S HA 0.051 4.521 4.470 0.000 0.000 0.260 4457 S C 0.672 175.168 174.600 -0.173 0.000 1.336 4457 S CA -0.530 57.621 58.200 -0.081 0.000 0.993 4457 S CB 0.128 63.345 63.200 0.029 0.000 0.923 4457 S HN 0.639 nan 8.310 nan 0.000 0.567 4458 D N 1.626 121.972 120.400 -0.091 0.000 2.305 4458 D HA 0.035 4.675 4.640 0.000 0.000 0.206 4458 D C 1.563 177.799 176.300 -0.107 0.000 0.974 4458 D CA 0.905 54.846 54.000 -0.099 0.000 0.871 4458 D CB -0.048 40.725 40.800 -0.045 0.000 0.947 4458 D HN 0.513 nan 8.370 nan 0.000 0.516 4459 M N 0.305 119.872 119.600 -0.055 0.000 2.562 4459 M HA -0.023 4.457 4.480 0.000 0.000 0.257 4459 M C 1.056 177.281 176.300 -0.126 0.000 1.099 4459 M CA 0.522 55.852 55.300 0.048 0.000 1.099 4459 M CB 0.165 32.936 32.600 0.285 0.000 1.427 4459 M HN -0.252 nan 8.290 nan 0.000 0.489 4460 K N 3.105 123.089 120.400 -0.694 0.000 2.248 4460 K HA 0.239 4.559 4.320 0.000 0.000 0.281 4460 K C -2.235 173.967 176.600 -0.663 0.000 1.054 4460 K CA -1.768 53.670 56.287 -1.415 0.000 0.903 4460 K CB 0.884 32.236 32.500 -1.913 0.000 1.077 4460 K HN -0.105 nan 8.250 nan 0.000 0.474 4461 P HA -0.062 nan 4.420 nan 0.000 0.272 4461 P C -0.454 176.702 177.300 -0.239 0.000 1.243 4461 P CA 0.096 63.054 63.100 -0.238 0.000 0.803 4461 P CB 0.624 32.251 31.700 -0.121 0.000 0.974 4462 K N -0.739 119.564 120.400 -0.162 0.000 2.361 4462 K HA 0.002 4.322 4.320 0.000 0.000 0.196 4462 K C 1.846 178.368 176.600 -0.129 0.000 1.039 4462 K CA 1.152 57.345 56.287 -0.156 0.000 1.001 4462 K CB -0.404 32.018 32.500 -0.130 0.000 0.795 4462 K HN 0.576 nan 8.250 nan 0.000 0.495 4463 T N -0.567 113.931 114.554 -0.095 0.000 2.904 4463 T HA -0.019 4.331 4.350 0.000 0.000 0.267 4463 T C 1.065 175.734 174.700 -0.050 0.000 1.059 4463 T CA 0.166 62.230 62.100 -0.058 0.000 1.137 4463 T CB -0.375 68.481 68.868 -0.020 0.000 0.879 4463 T HN -0.175 nan 8.240 nan 0.000 0.467 4464 V N 2.965 122.842 119.914 -0.063 0.000 2.409 4464 V HA 0.274 4.394 4.120 0.000 0.000 0.270 4464 V C 0.061 176.126 176.094 -0.049 0.000 1.019 4464 V CA -0.048 62.237 62.300 -0.025 0.000 1.066 4464 V CB -0.816 30.991 31.823 -0.027 0.000 1.021 4464 V HN 0.431 nan 8.190 nan 0.000 0.476 4465 I N 3.925 124.482 120.570 -0.022 0.000 2.418 4465 I HA 0.641 4.811 4.170 0.000 0.000 0.287 4465 I C 0.910 177.032 176.117 0.007 0.000 1.008 4465 I CA -0.426 60.841 61.300 -0.054 0.000 1.104 4465 I CB 1.734 39.678 38.000 -0.093 0.000 1.264 4465 I HN 0.772 nan 8.210 nan 0.000 0.438 4466 G N 3.631 112.452 108.800 0.035 0.000 2.204 4466 G HA2 -0.229 3.731 3.960 0.000 0.000 0.244 4466 G HA3 -0.229 3.731 3.960 0.000 0.000 0.244 4466 G C -0.180 174.826 174.900 0.176 0.000 1.062 4466 G CA -0.113 45.059 45.100 0.120 0.000 0.798 4466 G HN 0.705 nan 8.290 nan 0.000 0.496 4467 D N -0.623 119.887 120.400 0.183 0.000 2.363 4467 D HA 0.314 4.954 4.640 0.000 0.000 0.240 4467 D C 0.931 177.369 176.300 0.231 0.000 1.236 4467 D CA -0.240 53.894 54.000 0.223 0.000 0.927 4467 D CB 0.304 41.259 40.800 0.258 0.000 1.150 4467 D HN 0.427 nan 8.370 nan 0.000 0.458 4468 H N -0.300 118.864 119.070 0.158 0.000 3.034 4468 H HA 0.285 4.841 4.556 0.000 0.000 0.324 4468 H C 1.436 176.879 175.328 0.192 0.000 1.015 4468 H CA 1.756 57.862 56.048 0.097 0.000 1.429 4468 H CB 0.238 30.027 29.762 0.045 0.000 1.429 4468 H HN 0.589 nan 8.280 nan 0.000 0.585 4469 G N 4.008 112.639 108.800 -0.281 0.000 2.184 4469 G HA2 -0.381 3.579 3.960 0.000 0.000 0.264 4469 G HA3 -0.381 3.579 3.960 0.000 0.000 0.264 4469 G C 1.133 176.029 174.900 -0.006 0.000 0.975 4469 G CA 0.685 45.672 45.100 -0.188 0.000 0.642 4469 G HN 0.698 nan 8.290 nan 0.000 0.536 4470 D N 0.795 121.315 120.400 0.199 0.000 2.309 4470 D HA -0.008 4.632 4.640 0.000 0.000 0.212 4470 D C 2.410 178.944 176.300 0.390 0.000 0.968 4470 D CA 1.329 55.569 54.000 0.400 0.000 0.882 4470 D CB 0.024 41.068 40.800 0.406 0.000 0.918 4470 D HN 0.731 nan 8.370 nan 0.000 0.503 4471 E N 0.912 121.098 120.200 -0.025 0.000 2.216 4471 E HA -0.114 4.236 4.350 0.000 0.000 0.192 4471 E C 2.083 178.411 176.600 -0.453 0.000 0.988 4471 E CA 0.211 56.183 56.400 -0.713 0.000 0.834 4471 E CB -0.625 28.435 29.700 -1.066 0.000 0.772 4471 E HN 0.311 nan 8.360 nan 0.000 0.479 4472 L N 0.081 121.121 121.223 -0.306 0.000 1.997 4472 L HA -0.232 4.108 4.340 0.000 0.000 0.216 4472 L C 2.729 179.392 176.870 -0.346 0.000 1.074 4472 L CA 2.104 56.722 54.840 -0.370 0.000 0.763 4472 L CB -0.898 40.828 42.059 -0.556 0.000 0.890 4472 L HN 0.027 nan 8.230 nan 0.000 0.434 4473 F N -0.058 119.822 119.950 -0.116 0.000 2.192 4473 F HA -0.252 4.275 4.527 0.000 0.000 0.301 4473 F C 2.683 178.405 175.800 -0.130 0.000 1.079 4473 F CA 1.547 59.480 58.000 -0.112 0.000 1.303 4473 F CB -0.881 38.117 39.000 -0.003 0.000 1.024 4473 F HN 0.035 nan 8.300 nan 0.000 0.494 4474 S N -0.122 115.571 115.700 -0.011 0.000 2.357 4474 S HA -0.102 4.368 4.470 0.000 0.000 0.221 4474 S C 2.282 176.698 174.600 -0.305 0.000 1.031 4474 S CA 1.090 59.210 58.200 -0.134 0.000 0.982 4474 S CB -0.676 62.407 63.200 -0.196 0.000 0.853 4474 S HN 0.154 nan 8.310 nan 0.000 0.458 4475 V N 0.684 120.288 119.914 -0.518 0.000 2.469 4475 V HA -0.115 4.005 4.120 0.000 0.000 0.251 4475 V C 1.323 177.013 176.094 -0.674 0.000 1.064 4475 V CA 1.586 63.445 62.300 -0.735 0.000 1.066 4475 V CB -0.709 30.580 31.823 -0.890 0.000 0.667 4475 V HN 0.452 nan 8.190 nan 0.000 0.461 4476 F N -0.008 119.722 119.950 -0.366 0.000 2.647 4476 F HA 0.476 5.003 4.527 0.000 0.000 0.300 4476 F C 1.611 177.276 175.800 -0.224 0.000 1.106 4476 F CA 0.439 58.247 58.000 -0.320 0.000 1.313 4476 F CB 0.169 38.921 39.000 -0.413 0.000 1.007 4476 F HN 0.223 nan 8.300 nan 0.000 0.536 4477 G N 0.985 109.763 108.800 -0.037 0.000 2.323 4477 G HA2 -0.312 3.648 3.960 0.000 0.000 0.292 4477 G HA3 -0.312 3.648 3.960 0.000 0.000 0.292 4477 G C 1.229 176.179 174.900 0.083 0.000 1.040 4477 G CA 0.329 45.498 45.100 0.114 0.000 0.942 4477 G HN 0.568 nan 8.290 nan 0.000 0.506 4478 A N 0.029 122.807 122.820 -0.071 0.000 1.978 4478 A HA 0.116 4.436 4.320 0.000 0.000 0.220 4478 A C 0.563 177.975 177.584 -0.287 0.000 1.170 4478 A CA 2.044 53.914 52.037 -0.280 0.000 0.636 4478 A CB -0.685 18.003 19.000 -0.519 0.000 0.810 4478 A HN 0.471 nan 8.150 nan 0.000 0.448 4479 P HA -0.068 nan 4.420 nan 0.000 0.231 4479 P C 0.251 177.235 177.300 -0.526 0.000 1.158 4479 P CA 0.888 63.826 63.100 -0.269 0.000 0.763 4479 P CB -0.140 31.288 31.700 -0.452 0.000 0.805 4480 F N -3.175 116.765 119.950 -0.017 0.000 2.706 4480 F HA 0.262 4.789 4.527 0.000 0.000 0.313 4480 F C 1.655 177.459 175.800 0.007 0.000 1.096 4480 F CA 0.083 58.088 58.000 0.009 0.000 1.219 4480 F CB 0.078 39.048 39.000 -0.049 0.000 1.051 4480 F HN -0.203 nan 8.300 nan 0.000 0.568 4481 L N -1.042 120.233 121.223 0.087 0.000 2.586 4481 L HA 0.234 4.574 4.340 0.000 0.000 0.204 4481 L C 0.676 177.554 176.870 0.014 0.000 1.053 4481 L CA 0.141 55.005 54.840 0.041 0.000 0.856 4481 L CB 0.072 42.120 42.059 -0.018 0.000 1.192 4481 L HN -0.209 nan 8.230 nan 0.000 0.484 4482 K N 1.150 121.526 120.400 -0.040 0.000 2.126 4482 K HA 0.218 4.538 4.320 0.000 0.000 0.257 4482 K C -0.306 176.379 176.600 0.142 0.000 1.007 4482 K CA -0.278 56.029 56.287 0.034 0.000 0.928 4482 K CB 1.126 33.599 32.500 -0.044 0.000 1.013 4482 K HN -0.015 nan 8.250 nan 0.000 0.473 4483 E N -0.316 119.979 120.200 0.158 0.000 2.313 4483 E HA 0.179 4.529 4.350 0.000 0.000 0.272 4483 E C 0.146 176.816 176.600 0.116 0.000 1.038 4483 E CA 0.057 56.528 56.400 0.118 0.000 0.863 4483 E CB 0.941 30.686 29.700 0.074 0.000 1.060 4483 E HN 0.754 nan 8.360 nan 0.000 0.402 4484 G N 1.944 110.777 108.800 0.054 0.000 2.246 4484 G HA2 -0.254 3.706 3.960 0.000 0.000 0.273 4484 G HA3 -0.254 3.706 3.960 0.000 0.000 0.273 4484 G C 0.034 174.899 174.900 -0.058 0.000 1.055 4484 G CA 0.191 45.288 45.100 -0.005 0.000 0.851 4484 G HN 0.633 nan 8.290 nan 0.000 0.500 4485 A N 0.168 122.981 122.820 -0.011 0.000 2.354 4485 A HA 0.792 5.112 4.320 0.000 0.000 0.269 4485 A C 1.121 178.659 177.584 -0.076 0.000 1.109 4485 A CA 0.693 52.691 52.037 -0.066 0.000 0.800 4485 A CB 0.450 19.504 19.000 0.090 0.000 1.045 4485 A HN 1.995 nan 8.150 nan 0.000 0.489 4486 S N 1.205 116.851 115.700 -0.090 0.000 2.587 4486 S HA 0.095 4.565 4.470 0.000 0.000 0.260 4486 S C 0.870 175.443 174.600 -0.044 0.000 1.353 4486 S CA 0.400 58.566 58.200 -0.057 0.000 0.995 4486 S CB 0.561 63.735 63.200 -0.043 0.000 0.912 4486 S HN 0.750 nan 8.310 nan 0.000 0.568 4487 E N 0.646 120.827 120.200 -0.030 0.000 2.110 4487 E HA -0.172 4.178 4.350 0.000 0.000 0.193 4487 E C 1.939 178.525 176.600 -0.024 0.000 0.988 4487 E CA 1.799 58.185 56.400 -0.023 0.000 0.804 4487 E CB -0.327 29.366 29.700 -0.011 0.000 0.745 4487 E HN 0.868 nan 8.360 nan 0.000 0.458 4488 E N 0.276 120.469 120.200 -0.012 0.000 2.051 4488 E HA -0.222 4.128 4.350 0.000 0.000 0.192 4488 E C 1.879 178.446 176.600 -0.056 0.000 0.991 4488 E CA 1.304 57.700 56.400 -0.007 0.000 0.799 4488 E CB -0.095 29.633 29.700 0.046 0.000 0.748 4488 E HN 0.319 nan 8.360 nan 0.000 0.449 4489 E N 0.345 120.524 120.200 -0.036 0.000 2.085 4489 E HA -0.208 4.142 4.350 0.000 0.000 0.194 4489 E C 2.249 178.773 176.600 -0.126 0.000 0.994 4489 E CA 1.478 57.822 56.400 -0.093 0.000 0.801 4489 E CB -0.172 29.539 29.700 0.018 0.000 0.743 4489 E HN 0.443 nan 8.360 nan 0.000 0.453 4490 I N 0.680 121.169 120.570 -0.135 0.000 2.286 4490 I HA -0.282 3.888 4.170 0.000 0.000 0.248 4490 I C 2.765 178.853 176.117 -0.049 0.000 1.115 4490 I CA 0.973 62.143 61.300 -0.216 0.000 1.392 4490 I CB -0.358 37.511 38.000 -0.219 0.000 1.065 4490 I HN 0.067 nan 8.210 nan 0.000 0.418 4491 R N 1.183 121.665 120.500 -0.029 0.000 2.073 4491 R HA -0.211 4.129 4.340 0.000 0.000 0.234 4491 R C 2.409 178.698 176.300 -0.019 0.000 1.134 4491 R CA 1.632 57.734 56.100 0.003 0.000 0.952 4491 R CB -0.367 29.924 30.300 -0.016 0.000 0.850 4491 R HN 0.238 nan 8.270 nan 0.000 0.433 4492 L N 0.748 121.920 121.223 -0.086 0.000 2.131 4492 L HA -0.120 4.220 4.340 0.000 0.000 0.210 4492 L C 2.293 179.122 176.870 -0.068 0.000 1.092 4492 L CA 2.155 56.925 54.840 -0.116 0.000 0.759 4492 L CB -0.682 41.204 42.059 -0.289 0.000 0.903 4492 L HN 0.165 nan 8.230 nan 0.000 0.435 4493 S N -1.051 114.626 115.700 -0.038 0.000 2.387 4493 S HA -0.155 4.315 4.470 0.000 0.000 0.226 4493 S C 2.050 176.694 174.600 0.072 0.000 1.026 4493 S CA 1.071 59.277 58.200 0.009 0.000 0.972 4493 S CB -0.166 63.071 63.200 0.063 0.000 0.814 4493 S HN 0.541 nan 8.310 nan 0.000 0.477 4494 K N 0.515 121.011 120.400 0.161 0.000 2.097 4494 K HA -0.082 4.238 4.320 0.000 0.000 0.206 4494 K C 2.280 178.893 176.600 0.022 0.000 1.049 4494 K CA 1.632 58.008 56.287 0.147 0.000 0.933 4494 K CB -0.252 32.366 32.500 0.197 0.000 0.717 4494 K HN 0.465 nan 8.250 nan 0.000 0.442 4495 M N 0.660 120.244 119.600 -0.027 0.000 2.077 4495 M HA -0.156 4.324 4.480 0.000 0.000 0.261 4495 M C 1.984 178.234 176.300 -0.084 0.000 1.070 4495 M CA 1.511 56.734 55.300 -0.129 0.000 1.125 4495 M CB 0.043 32.572 32.600 -0.119 0.000 1.339 4495 M HN -0.068 nan 8.290 nan 0.000 0.409 4496 V N 1.191 121.095 119.914 -0.016 0.000 2.392 4496 V HA -0.334 3.786 4.120 0.000 0.000 0.249 4496 V C 2.456 178.552 176.094 0.003 0.000 1.059 4496 V CA 2.016 64.302 62.300 -0.024 0.000 1.051 4496 V CB -0.698 30.917 31.823 -0.346 0.000 0.658 4496 V HN 0.571 nan 8.190 nan 0.000 0.455 4497 M N -1.201 118.369 119.600 -0.051 0.000 2.132 4497 M HA -0.135 4.345 4.480 0.000 0.000 0.263 4497 M C 2.394 178.769 176.300 0.124 0.000 1.065 4497 M CA 1.591 56.887 55.300 -0.007 0.000 1.122 4497 M CB -0.509 32.057 32.600 -0.057 0.000 1.365 4497 M HN 0.187 nan 8.290 nan 0.000 0.411 4498 K N 0.533 120.982 120.400 0.081 0.000 1.991 4498 K HA -0.117 4.203 4.320 0.000 0.000 0.212 4498 K C 1.851 178.592 176.600 0.237 0.000 1.049 4498 K CA 1.725 58.062 56.287 0.083 0.000 0.932 4498 K CB -0.898 31.573 32.500 -0.049 0.000 0.717 4498 K HN 0.335 nan 8.250 nan 0.000 0.441 4499 F N -0.103 119.989 119.950 0.236 0.000 2.045 4499 F HA -0.326 4.201 4.527 0.000 0.000 0.297 4499 F C 2.632 178.590 175.800 0.263 0.000 1.114 4499 F CA 0.925 59.103 58.000 0.298 0.000 1.207 4499 F CB -0.332 39.007 39.000 0.564 0.000 0.964 4499 F HN 0.282 nan 8.300 nan 0.000 0.486 4500 W N -0.014 121.405 121.300 0.197 0.000 2.338 4500 W HA -0.245 4.415 4.660 0.000 0.000 0.304 4500 W C 2.572 179.118 176.519 0.045 0.000 1.212 4500 W CA 1.065 58.446 57.345 0.061 0.000 1.264 4500 W CB -0.538 28.915 29.460 -0.012 0.000 1.142 4500 W HN 0.038 nan 8.180 nan 0.000 0.512 4501 A N 0.254 123.226 122.820 0.254 0.000 1.929 4501 A HA -0.168 4.152 4.320 0.000 0.000 0.216 4501 A C 1.687 179.325 177.584 0.090 0.000 1.176 4501 A CA 1.394 53.502 52.037 0.118 0.000 0.628 4501 A CB -0.907 18.148 19.000 0.091 0.000 0.816 4501 A HN 0.197 nan 8.150 nan 0.000 0.444 4502 N N -0.926 117.852 118.700 0.129 0.000 2.289 4502 N HA -0.114 4.626 4.740 0.000 0.000 0.184 4502 N C 1.325 176.863 175.510 0.046 0.000 1.016 4502 N CA 1.155 54.257 53.050 0.087 0.000 0.872 4502 N CB -0.500 38.065 38.487 0.130 0.000 0.973 4502 N HN 0.522 nan 8.380 nan 0.000 0.433 4503 F N 1.785 121.655 119.950 -0.133 0.000 2.113 4503 F HA 0.027 4.554 4.527 0.000 0.000 0.297 4503 F C 2.196 177.901 175.800 -0.158 0.000 1.103 4503 F CA 1.027 58.880 58.000 -0.244 0.000 1.248 4503 F CB -0.495 38.257 39.000 -0.414 0.000 0.999 4503 F HN 0.010 nan 8.300 nan 0.000 0.475 4504 A N 0.087 122.862 122.820 -0.076 0.000 2.070 4504 A HA -0.148 4.172 4.320 0.000 0.000 0.220 4504 A C 2.330 179.831 177.584 -0.138 0.000 1.159 4504 A CA 1.465 53.420 52.037 -0.137 0.000 0.656 4504 A CB -0.646 18.308 19.000 -0.077 0.000 0.800 4504 A HN 0.445 nan 8.150 nan 0.000 0.453 4505 R N -0.306 120.132 120.500 -0.104 0.000 2.048 4505 R HA -0.002 4.338 4.340 0.000 0.000 0.224 4505 R C 0.418 176.648 176.300 -0.116 0.000 1.163 4505 R CA 1.410 57.462 56.100 -0.081 0.000 0.956 4505 R CB -0.071 30.210 30.300 -0.031 0.000 0.849 4505 R HN 0.647 nan 8.270 nan 0.000 0.435 4506 N N -1.129 117.489 118.700 -0.136 0.000 2.299 4506 N HA 0.111 4.852 4.740 0.000 0.000 0.246 4506 N C 0.312 175.708 175.510 -0.189 0.000 1.254 4506 N CA 0.660 53.632 53.050 -0.130 0.000 0.879 4506 N CB 1.903 40.354 38.487 -0.060 0.000 1.214 4506 N HN 0.369 nan 8.380 nan 0.000 0.510 4507 G N 1.649 110.205 108.800 -0.408 0.000 2.166 4507 G HA2 -0.296 3.664 3.960 0.000 0.000 0.260 4507 G HA3 -0.296 3.664 3.960 0.000 0.000 0.260 4507 G C -0.156 174.630 174.900 -0.190 0.000 0.986 4507 G CA 0.383 45.153 45.100 -0.550 0.000 0.683 4507 G HN 0.552 nan 8.290 nan 0.000 0.527 4508 N N -0.511 118.110 118.700 -0.131 0.000 2.478 4508 N HA 0.339 5.079 4.740 0.000 0.000 0.291 4508 N C -1.734 173.666 175.510 -0.183 0.000 1.090 4508 N CA -1.187 51.779 53.050 -0.139 0.000 0.911 4508 N CB 2.291 40.773 38.487 -0.008 0.000 1.546 4508 N HN -0.047 nan 8.380 nan 0.000 0.500 4509 P HA -0.053 nan 4.420 nan 0.000 0.222 4509 P C -0.131 177.229 177.300 0.100 0.000 1.153 4509 P CA 0.481 63.419 63.100 -0.270 0.000 0.798 4509 P CB 0.295 31.434 31.700 -0.934 0.000 0.796 4510 N N 0.919 119.622 118.700 0.005 0.000 2.356 4510 N HA 0.166 4.906 4.740 0.000 0.000 0.252 4510 N C 0.911 176.546 175.510 0.209 0.000 1.241 4510 N CA 1.281 54.462 53.050 0.218 0.000 0.861 4510 N CB 0.425 38.985 38.487 0.123 0.000 1.075 4510 N HN 0.190 nan 8.380 nan 0.000 0.461 4511 G N 0.635 109.577 108.800 0.238 0.000 2.606 4511 G HA2 0.217 4.177 3.960 0.000 0.000 0.300 4511 G HA3 0.217 4.177 3.960 0.000 0.000 0.300 4511 G C -1.370 173.599 174.900 0.115 0.000 1.360 4511 G CA -0.647 44.539 45.100 0.143 0.000 0.783 4511 G HN 0.426 nan 8.290 nan 0.000 0.484 4512 E N -0.146 120.098 120.200 0.073 0.000 2.344 4512 E HA 0.401 4.751 4.350 0.000 0.000 0.270 4512 E C 0.945 177.564 176.600 0.032 0.000 1.021 4512 E CA 0.820 57.253 56.400 0.056 0.000 0.887 4512 E CB 0.945 30.669 29.700 0.040 0.000 0.997 4512 E HN 1.450 nan 8.360 nan 0.000 0.429 4513 G N 3.280 112.102 108.800 0.036 0.000 2.273 4513 G HA2 -0.276 3.684 3.960 0.000 0.000 0.280 4513 G HA3 -0.276 3.684 3.960 0.000 0.000 0.280 4513 G C -0.241 174.645 174.900 -0.022 0.000 1.047 4513 G CA 0.059 45.167 45.100 0.012 0.000 0.869 4513 G HN 0.369 nan 8.290 nan 0.000 0.502 4514 L N -0.696 120.532 121.223 0.007 0.000 2.431 4514 L HA 0.465 4.805 4.340 0.000 0.000 0.266 4514 L C -2.132 174.834 176.870 0.159 0.000 0.978 4514 L CA -2.317 52.489 54.840 -0.057 0.000 0.822 4514 L CB 2.429 44.376 42.059 -0.186 0.000 1.310 4514 L HN -0.096 nan 8.230 nan 0.000 0.409 4515 P HA 0.006 nan 4.420 nan 0.000 0.268 4515 P C -0.939 176.619 177.300 0.430 0.000 1.208 4515 P CA -0.138 63.139 63.100 0.296 0.000 0.777 4515 P CB 0.280 32.132 31.700 0.253 0.000 0.875 4516 H N 1.870 121.088 119.070 0.248 0.000 2.899 4516 H HA 0.108 4.664 4.556 0.000 0.000 0.303 4516 H C -0.865 174.633 175.328 0.283 0.000 1.042 4516 H CA 0.167 56.372 56.048 0.261 0.000 1.479 4516 H CB 0.115 29.984 29.762 0.179 0.000 1.493 4516 H HN 0.360 nan 8.280 nan 0.000 0.534 4517 W N 10.008 131.077 121.300 -0.384 0.000 2.288 4517 W HA 0.282 4.942 4.660 0.000 0.000 0.325 4517 W C -2.722 173.659 176.519 -0.230 0.000 1.019 4517 W CA -3.250 53.933 57.345 -0.270 0.000 1.403 4517 W CB 0.694 29.910 29.460 -0.407 0.000 1.226 4517 W HN 0.569 nan 8.180 nan 0.000 0.391 4518 P HA -0.040 nan 4.420 nan 0.000 0.267 4518 P C -0.048 177.454 177.300 0.337 0.000 1.205 4518 P CA 0.495 63.781 63.100 0.310 0.000 0.765 4518 P CB 1.040 32.902 31.700 0.270 0.000 0.828 4519 E N 2.530 122.811 120.200 0.136 0.000 2.384 4519 E HA -0.055 4.295 4.350 0.000 0.000 0.266 4519 E C -0.765 175.802 176.600 -0.056 0.000 1.012 4519 E CA -0.397 55.858 56.400 -0.242 0.000 0.901 4519 E CB 0.224 29.792 29.700 -0.220 0.000 0.967 4519 E HN 0.398 nan 8.360 nan 0.000 0.435 4520 Y N 6.314 126.479 120.300 -0.226 0.000 2.532 4520 Y HA -0.006 4.544 4.550 0.000 0.000 0.337 4520 Y C 0.108 175.985 175.900 -0.039 0.000 1.274 4520 Y CA -0.223 57.848 58.100 -0.048 0.000 1.817 4520 Y CB -0.673 37.772 38.460 -0.024 0.000 1.769 4520 Y HN 0.481 nan 8.280 nan 0.000 0.447 4521 N N 0.201 118.782 118.700 -0.197 0.000 2.835 4521 N HA 0.066 4.806 4.740 0.000 0.000 0.293 4521 N C 0.828 176.184 175.510 -0.258 0.000 1.345 4521 N CA -0.053 52.898 53.050 -0.164 0.000 0.760 4521 N CB 0.027 38.470 38.487 -0.073 0.000 1.130 4521 N HN 0.198 nan 8.380 nan 0.000 0.441 4522 Q N -0.196 119.518 119.800 -0.144 0.000 2.245 4522 Q HA 0.099 4.440 4.340 0.000 0.000 0.201 4522 Q C 1.308 177.229 176.000 -0.132 0.000 0.955 4522 Q CA 1.080 56.806 55.803 -0.129 0.000 0.870 4522 Q CB -0.245 28.456 28.738 -0.061 0.000 0.945 4522 Q HN 0.576 nan 8.270 nan 0.000 0.461 4523 K N 0.806 121.142 120.400 -0.106 0.000 2.365 4523 K HA -0.064 4.257 4.320 0.000 0.000 0.199 4523 K C -0.030 176.524 176.600 -0.076 0.000 1.045 4523 K CA 0.279 56.532 56.287 -0.058 0.000 0.962 4523 K CB 0.292 32.787 32.500 -0.009 0.000 0.759 4523 K HN 0.138 nan 8.250 nan 0.000 0.469 4524 E N -0.658 119.400 120.200 -0.237 0.000 2.553 4524 E HA -0.134 4.216 4.350 0.000 0.000 0.264 4524 E C 0.069 176.757 176.600 0.147 0.000 1.068 4524 E CA 0.614 56.820 56.400 -0.325 0.000 0.774 4524 E CB -2.179 27.443 29.700 -0.130 0.000 1.349 4524 E HN 0.499 nan 8.360 nan 0.000 0.404 4525 G N 0.572 109.467 108.800 0.157 0.000 2.483 4525 G HA2 0.404 4.364 3.960 0.000 0.000 0.248 4525 G HA3 0.404 4.364 3.960 0.000 0.000 0.248 4525 G C -0.174 175.024 174.900 0.496 0.000 1.248 4525 G CA 0.197 45.461 45.100 0.273 0.000 0.838 4525 G HN 0.309 nan 8.290 nan 0.000 0.566 4526 Y N -0.242 120.198 120.300 0.232 0.000 2.670 4526 Y HA 0.686 5.236 4.550 0.000 0.000 0.334 4526 Y C -1.569 174.323 175.900 -0.013 0.000 1.185 4526 Y CA -1.793 56.437 58.100 0.216 0.000 1.053 4526 Y CB 1.429 40.003 38.460 0.189 0.000 1.298 4526 Y HN 0.589 nan 8.280 nan 0.000 0.459 4527 L N 2.393 123.426 121.223 -0.315 0.000 2.309 4527 L HA 0.511 4.851 4.340 0.000 0.000 0.282 4527 L C -0.905 175.783 176.870 -0.303 0.000 1.036 4527 L CA -0.496 53.955 54.840 -0.649 0.000 0.806 4527 L CB 1.843 43.006 42.059 -1.493 0.000 1.220 4527 L HN 0.785 nan 8.230 nan 0.000 0.429 4528 Q N 5.645 125.282 119.800 -0.272 0.000 2.314 4528 Q HA 0.531 4.871 4.340 0.000 0.000 0.259 4528 Q C -1.128 174.837 176.000 -0.060 0.000 0.951 4528 Q CA -0.208 55.565 55.803 -0.050 0.000 0.909 4528 Q CB 1.922 30.627 28.738 -0.054 0.000 1.236 4528 Q HN 0.572 nan 8.270 nan 0.000 0.444 4529 I N 1.729 122.309 120.570 0.017 0.000 2.404 4529 I HA 0.744 4.914 4.170 0.000 0.000 0.293 4529 I C 0.551 176.607 176.117 -0.101 0.000 0.992 4529 I CA -0.399 60.918 61.300 0.028 0.000 1.149 4529 I CB 1.698 39.804 38.000 0.176 0.000 1.315 4529 I HN 0.814 nan 8.210 nan 0.000 0.446 4530 G N 3.174 111.914 108.800 -0.100 0.000 2.399 4530 G HA2 0.320 4.280 3.960 0.000 0.000 0.256 4530 G HA3 0.320 4.280 3.960 0.000 0.000 0.256 4530 G C 0.341 175.212 174.900 -0.048 0.000 1.236 4530 G CA 0.070 45.077 45.100 -0.156 0.000 0.914 4530 G HN 0.571 nan 8.290 nan 0.000 0.482 4531 A N -0.496 122.369 122.820 0.075 0.000 1.917 4531 A HA 0.068 4.388 4.320 0.000 0.000 0.219 4531 A C 0.961 178.556 177.584 0.018 0.000 1.182 4531 A CA 1.821 53.906 52.037 0.081 0.000 0.633 4531 A CB -0.489 18.574 19.000 0.105 0.000 0.819 4531 A HN 0.513 nan 8.150 nan 0.000 0.448 4532 N N -0.125 118.579 118.700 0.006 0.000 2.399 4532 N HA 0.359 5.099 4.740 0.000 0.000 0.280 4532 N C -1.525 173.980 175.510 -0.008 0.000 1.008 4532 N CA -0.033 53.018 53.050 0.000 0.000 0.894 4532 N CB 1.728 40.216 38.487 0.000 0.000 1.273 4532 N HN 0.044 nan 8.380 nan 0.000 0.486 4533 T N 3.066 117.621 114.554 0.002 0.000 2.788 4533 T HA 0.370 4.720 4.350 0.000 0.000 0.296 4533 T C -0.363 174.337 174.700 0.001 0.000 1.009 4533 T CA -0.751 61.349 62.100 0.001 0.000 0.949 4533 T CB 0.909 69.806 68.868 0.049 0.000 0.946 4533 T HN 0.397 nan 8.240 nan 0.000 0.453 4534 Q N 1.682 121.455 119.800 -0.045 0.000 2.377 4534 Q HA 0.690 5.030 4.340 0.000 0.000 0.279 4534 Q C -1.049 174.877 176.000 -0.124 0.000 1.049 4534 Q CA -1.176 54.601 55.803 -0.043 0.000 0.825 4534 Q CB 1.641 30.365 28.738 -0.024 0.000 1.401 4534 Q HN 0.593 nan 8.270 nan 0.000 0.404 4535 A N 1.112 123.878 122.820 -0.091 0.000 2.483 4535 A HA 0.625 4.946 4.320 0.000 0.000 0.238 4535 A C -0.146 177.303 177.584 -0.226 0.000 1.070 4535 A CA 0.730 52.675 52.037 -0.154 0.000 0.770 4535 A CB -0.043 18.963 19.000 0.010 0.000 1.008 4535 A HN 1.077 nan 8.150 nan 0.000 0.497 4536 A N 1.269 123.826 122.820 -0.440 0.000 2.507 4536 A HA 0.841 5.161 4.320 0.000 0.000 0.284 4536 A C -0.599 176.844 177.584 -0.235 0.000 1.281 4536 A CA -0.560 51.220 52.037 -0.429 0.000 0.744 4536 A CB 1.198 19.770 19.000 -0.714 0.000 1.332 4536 A HN 0.870 nan 8.150 nan 0.000 0.454 4537 Q N -0.138 119.722 119.800 0.100 0.000 2.472 4537 Q HA 0.424 4.764 4.340 0.000 0.000 0.281 4537 Q C -1.559 174.658 176.000 0.362 0.000 0.997 4537 Q CA -0.999 54.987 55.803 0.304 0.000 0.828 4537 Q CB 2.005 30.830 28.738 0.145 0.000 1.443 4537 Q HN 0.650 nan 8.270 nan 0.000 0.390 4538 K N 0.623 121.203 120.400 0.300 0.000 3.353 4538 K HA -0.185 4.135 4.320 0.000 0.000 0.272 4538 K C -0.825 175.868 176.600 0.155 0.000 1.071 4538 K CA 0.143 56.542 56.287 0.187 0.000 0.789 4538 K CB -1.645 30.933 32.500 0.129 0.000 1.325 4538 K HN 0.576 nan 8.250 nan 0.000 0.464 4539 L N 1.995 123.249 121.223 0.053 0.000 2.462 4539 L HA 0.078 4.418 4.340 0.000 0.000 0.272 4539 L C 0.844 177.664 176.870 -0.083 0.000 1.166 4539 L CA 0.662 55.350 54.840 -0.253 0.000 0.880 4539 L CB 0.343 41.874 42.059 -0.880 0.000 1.142 4539 L HN 0.305 nan 8.230 nan 0.000 0.473 4540 K N 2.735 123.113 120.400 -0.035 0.000 2.960 4540 K HA -0.299 4.021 4.320 0.000 0.000 0.259 4540 K C 0.927 177.570 176.600 0.072 0.000 1.025 4540 K CA 1.153 57.461 56.287 0.034 0.000 0.756 4540 K CB -1.314 31.203 32.500 0.027 0.000 1.221 4540 K HN 0.934 nan 8.250 nan 0.000 0.483 4541 D N 1.153 121.595 120.400 0.070 0.000 2.103 4541 D HA -0.145 4.495 4.640 0.000 0.000 0.190 4541 D C 1.596 177.951 176.300 0.091 0.000 0.997 4541 D CA 1.688 55.739 54.000 0.084 0.000 0.833 4541 D CB 0.200 41.047 40.800 0.078 0.000 0.961 4541 D HN 0.458 nan 8.370 nan 0.000 0.447 4542 K N -0.172 120.275 120.400 0.077 0.000 2.026 4542 K HA -0.163 4.157 4.320 0.000 0.000 0.208 4542 K C 2.252 178.932 176.600 0.132 0.000 1.048 4542 K CA 1.359 57.691 56.287 0.075 0.000 0.929 4542 K CB -0.109 32.407 32.500 0.025 0.000 0.713 4542 K HN 0.113 nan 8.250 nan 0.000 0.439 4543 E N 0.479 120.778 120.200 0.165 0.000 2.118 4543 E HA -0.164 4.186 4.350 0.000 0.000 0.195 4543 E C 1.926 178.760 176.600 0.389 0.000 0.992 4543 E CA 0.951 57.545 56.400 0.324 0.000 0.804 4543 E CB -0.161 29.750 29.700 0.351 0.000 0.741 4543 E HN 0.026 nan 8.360 nan 0.000 0.458 4544 V N 0.623 120.683 119.914 0.244 0.000 2.307 4544 V HA -0.256 3.864 4.120 0.000 0.000 0.245 4544 V C 2.182 178.380 176.094 0.174 0.000 1.045 4544 V CA 1.777 64.200 62.300 0.205 0.000 1.024 4544 V CB -0.782 31.123 31.823 0.137 0.000 0.651 4544 V HN 0.377 nan 8.190 nan 0.000 0.449 4545 A N -0.275 122.629 122.820 0.141 0.000 1.877 4545 A HA -0.250 4.070 4.320 0.000 0.000 0.216 4545 A C 2.116 179.748 177.584 0.079 0.000 1.186 4545 A CA 2.157 54.254 52.037 0.100 0.000 0.620 4545 A CB -0.729 18.322 19.000 0.086 0.000 0.822 4545 A HN 0.544 nan 8.150 nan 0.000 0.443 4546 F N -0.777 119.148 119.950 -0.042 0.000 2.051 4546 F HA -0.175 4.353 4.527 0.000 0.000 0.296 4546 F C 2.027 177.685 175.800 -0.238 0.000 1.122 4546 F CA 1.776 59.669 58.000 -0.178 0.000 1.201 4546 F CB -0.778 38.047 39.000 -0.291 0.000 0.978 4546 F HN 0.366 nan 8.300 nan 0.000 0.472 4547 W N 0.672 121.730 121.300 -0.403 0.000 2.355 4547 W HA -0.154 4.506 4.660 -0.000 0.000 0.309 4547 W C 2.682 178.965 176.519 -0.392 0.000 1.206 4547 W CA 1.885 58.847 57.345 -0.637 0.000 1.284 4547 W CB -1.208 28.014 29.460 -0.396 0.000 1.145 4547 W HN -0.105 nan 8.180 nan 0.000 0.502 4548 T N 0.184 114.784 114.554 0.076 0.000 2.760 4548 T HA -0.310 4.040 4.350 0.000 0.000 0.269 4548 T C 1.365 176.086 174.700 0.036 0.000 1.047 4548 T CA 2.018 64.180 62.100 0.103 0.000 1.139 4548 T CB -0.454 68.467 68.868 0.088 0.000 0.855 4548 T HN 0.167 nan 8.240 nan 0.000 0.471 4549 N N 0.007 118.652 118.700 -0.091 0.000 2.258 4549 N HA 0.059 4.799 4.740 0.000 0.000 0.183 4549 N C 1.610 177.029 175.510 -0.152 0.000 1.029 4549 N CA 0.378 53.364 53.050 -0.106 0.000 0.857 4549 N CB -0.399 38.013 38.487 -0.124 0.000 1.008 4549 N HN 0.125 nan 8.380 nan 0.000 0.433 4550 L N 0.152 121.135 121.223 -0.400 0.000 2.043 4550 L HA -0.057 4.283 4.340 0.000 0.000 0.212 4550 L C 1.722 178.568 176.870 -0.040 0.000 1.075 4550 L CA 1.681 56.295 54.840 -0.376 0.000 0.752 4550 L CB -0.878 40.668 42.059 -0.854 0.000 0.891 4550 L HN 0.290 nan 8.230 nan 0.000 0.432 4551 F N -0.651 119.282 119.950 -0.028 0.000 2.186 4551 F HA -0.115 4.412 4.527 0.000 0.000 0.299 4551 F C 2.050 177.857 175.800 0.010 0.000 1.090 4551 F CA 0.298 58.321 58.000 0.038 0.000 1.307 4551 F CB -0.247 38.789 39.000 0.061 0.000 1.019 4551 F HN 0.195 nan 8.300 nan 0.000 0.489 4552 A N 1.005 123.937 122.820 0.187 0.000 2.324 4552 A HA 0.107 4.427 4.320 0.000 0.000 0.240 4552 A C 0.444 178.066 177.584 0.064 0.000 1.347 4552 A CA -0.038 52.057 52.037 0.097 0.000 1.036 4552 A CB -1.107 17.932 19.000 0.065 0.000 0.917 4552 A HN 0.368 nan 8.150 nan 0.000 0.519 4553 K N 0.000 120.449 120.400 0.082 0.000 2.780 4553 K HA 0.000 4.320 4.320 0.000 0.000 0.191 4553 K CA 0.000 56.320 56.287 0.055 0.000 0.838 4553 K CB 0.000 32.531 32.500 0.052 0.000 1.064 4553 K HN 0.000 nan 8.250 nan 0.000 0.543