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 1yah_1_A DATA FIRST_RESID 21 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 21 S HA 0.000 nan 4.470 nan 0.000 0.327 21 S C 0.000 174.674 174.600 0.123 0.000 1.055 21 S CA 0.000 58.252 58.200 0.087 0.000 1.107 21 S CB 0.000 63.236 63.200 0.060 0.000 0.593 22 S N 3.112 118.923 115.700 0.185 0.000 2.571 22 S HA 0.767 5.237 4.470 0.000 0.000 0.284 22 S C -3.034 171.668 174.600 0.169 0.000 1.128 22 S CA -0.901 57.386 58.200 0.146 0.000 0.970 22 S CB 1.680 64.948 63.200 0.112 0.000 1.039 22 S HN 0.303 nan 8.310 nan 0.000 0.485 23 P HA 0.147 nan 4.420 nan 0.000 0.264 23 P C -2.642 174.564 177.300 -0.157 0.000 1.179 23 P CA -0.678 62.359 63.100 -0.104 0.000 0.763 23 P CB -0.393 31.259 31.700 -0.078 0.000 0.806 24 P HA 0.063 nan 4.420 nan 0.000 0.271 24 P C -0.897 176.448 177.300 0.074 0.000 1.233 24 P CA 0.354 63.312 63.100 -0.237 0.000 0.764 24 P CB 0.420 31.813 31.700 -0.511 0.000 0.825 25 V N 5.560 125.543 119.914 0.115 0.000 2.349 25 V HA 0.214 4.335 4.120 0.000 0.000 0.284 25 V C 0.181 176.314 176.094 0.065 0.000 1.014 25 V CA -0.599 61.783 62.300 0.137 0.000 0.826 25 V CB 1.805 33.686 31.823 0.098 0.000 1.009 25 V HN 0.228 nan 8.190 nan 0.000 0.431 26 V N 3.317 123.230 119.914 -0.000 0.000 2.612 26 V HA 0.443 4.563 4.120 0.000 0.000 0.301 26 V C -0.100 175.902 176.094 -0.153 0.000 1.046 26 V CA -0.535 61.611 62.300 -0.257 0.000 0.946 26 V CB 2.098 33.413 31.823 -0.848 0.000 1.003 26 V HN 0.803 nan 8.190 nan 0.000 0.459 27 D N 2.675 122.970 120.400 -0.176 0.000 2.392 27 D HA 0.356 4.996 4.640 0.000 0.000 0.228 27 D C 0.136 176.360 176.300 -0.126 0.000 1.074 27 D CA -0.071 53.874 54.000 -0.091 0.000 0.838 27 D CB 1.711 42.462 40.800 -0.082 0.000 1.067 27 D HN 0.780 nan 8.370 nan 0.000 0.511 28 T N -0.613 113.923 114.554 -0.030 0.000 2.880 28 T HA 0.251 4.601 4.350 0.000 0.000 0.279 28 T C 1.690 176.304 174.700 -0.143 0.000 0.990 28 T CA -0.619 61.468 62.100 -0.023 0.000 0.938 28 T CB 0.851 69.884 68.868 0.276 0.000 1.206 28 T HN 0.033 nan 8.240 nan 0.000 0.573 29 V N 1.014 120.793 119.914 -0.226 0.000 2.343 29 V HA -0.129 3.991 4.120 0.000 0.000 0.247 29 V C 2.533 178.403 176.094 -0.375 0.000 1.051 29 V CA 1.626 63.731 62.300 -0.325 0.000 1.036 29 V CB -1.162 30.400 31.823 -0.436 0.000 0.654 29 V HN 0.844 nan 8.190 nan 0.000 0.451 30 H N -0.020 118.867 119.070 -0.306 0.000 2.551 30 H HA 0.418 4.975 4.556 0.000 0.000 0.266 30 H C 1.022 175.542 175.328 -1.347 0.000 0.977 30 H CA 0.936 56.581 56.048 -0.672 0.000 1.163 30 H CB 0.337 29.730 29.762 -0.614 0.000 1.381 30 H HN 0.542 nan 8.280 nan 0.000 0.581 31 G N -0.059 108.183 108.800 -0.929 0.000 2.356 31 G HA2 0.045 4.006 3.960 0.000 0.000 0.300 31 G HA3 0.045 4.006 3.960 0.000 0.000 0.300 31 G C -1.319 173.548 174.900 -0.056 0.000 1.331 31 G CA -1.115 43.450 45.100 -0.892 0.000 0.905 31 G HN 0.018 nan 8.290 nan 0.000 0.587 32 K N -0.666 119.880 120.400 0.244 0.000 2.237 32 K HA 0.598 4.918 4.320 0.000 0.000 0.270 32 K C -0.384 176.545 176.600 0.549 0.000 1.015 32 K CA -0.437 56.053 56.287 0.337 0.000 0.949 32 K CB 1.741 34.377 32.500 0.227 0.000 0.976 32 K HN 0.337 nan 8.250 nan 0.000 0.472 33 V N 3.581 123.709 119.914 0.357 0.000 2.638 33 V HA 0.278 4.399 4.120 0.000 0.000 0.306 33 V C -0.901 175.383 176.094 0.317 0.000 1.052 33 V CA -1.019 61.486 62.300 0.341 0.000 0.885 33 V CB 1.859 33.905 31.823 0.373 0.000 0.999 33 V HN 0.571 nan 8.190 nan 0.000 0.424 34 L N 4.238 125.625 121.223 0.273 0.000 2.313 34 L HA 0.876 5.216 4.340 0.000 0.000 0.283 34 L C 0.268 177.232 176.870 0.157 0.000 1.013 34 L CA 0.442 55.404 54.840 0.205 0.000 0.816 34 L CB 1.054 43.170 42.059 0.095 0.000 1.236 34 L HN 0.798 nan 8.230 nan 0.000 0.419 35 G N 5.018 113.804 108.800 -0.023 0.000 3.122 35 G HA2 0.605 4.565 3.960 0.000 0.000 0.180 35 G HA3 0.605 4.565 3.960 0.000 0.000 0.180 35 G C -1.230 173.370 174.900 -0.500 0.000 1.279 35 G CA -0.510 44.270 45.100 -0.534 0.000 0.987 35 G HN 0.702 nan 8.290 nan 0.000 0.589 36 K N -1.137 118.895 120.400 -0.614 0.000 2.502 36 K HA 0.574 4.894 4.320 0.000 0.000 0.257 36 K C -1.767 174.607 176.600 -0.376 0.000 0.938 36 K CA -0.818 55.229 56.287 -0.401 0.000 0.819 36 K CB 2.021 34.388 32.500 -0.222 0.000 1.333 36 K HN 0.299 nan 8.250 nan 0.000 0.434 37 F N 1.356 121.249 119.950 -0.094 0.000 2.394 37 F HA 0.429 4.957 4.527 0.000 0.000 0.340 37 F C -0.274 175.516 175.800 -0.017 0.000 1.105 37 F CA -0.760 57.213 58.000 -0.046 0.000 1.124 37 F CB 1.945 40.938 39.000 -0.012 0.000 1.145 37 F HN 0.105 nan 8.300 nan 0.000 0.505 38 V N 2.702 122.770 119.914 0.257 0.000 2.567 38 V HA 0.218 4.338 4.120 0.000 0.000 0.298 38 V C -0.608 175.568 176.094 0.137 0.000 1.047 38 V CA -0.792 61.602 62.300 0.156 0.000 0.880 38 V CB 1.758 33.659 31.823 0.130 0.000 1.009 38 V HN 0.714 nan 8.190 nan 0.000 0.429 39 S N 4.360 120.123 115.700 0.106 0.000 2.525 39 S HA 0.692 5.162 4.470 0.000 0.000 0.278 39 S C -0.430 174.238 174.600 0.113 0.000 1.234 39 S CA -0.327 57.931 58.200 0.096 0.000 1.058 39 S CB 1.332 64.576 63.200 0.074 0.000 0.983 39 S HN 0.563 nan 8.310 nan 0.000 0.495 40 L N 2.861 124.166 121.223 0.137 0.000 2.343 40 L HA 0.531 4.871 4.340 0.000 0.000 0.275 40 L C 0.051 177.092 176.870 0.284 0.000 1.056 40 L CA -0.567 54.381 54.840 0.180 0.000 0.804 40 L CB 1.084 43.193 42.059 0.083 0.000 1.203 40 L HN 0.529 nan 8.230 nan 0.000 0.440 41 E N 2.901 123.255 120.200 0.257 0.000 2.498 41 E HA 0.361 4.711 4.350 0.000 0.000 0.252 41 E C 0.834 177.548 176.600 0.191 0.000 1.025 41 E CA 1.263 57.786 56.400 0.205 0.000 0.938 41 E CB -0.255 29.559 29.700 0.192 0.000 0.947 41 E HN 0.811 nan 8.360 nan 0.000 0.478 42 G N 3.689 112.508 108.800 0.031 0.000 2.141 42 G HA2 -0.239 3.721 3.960 0.000 0.000 0.231 42 G HA3 -0.239 3.721 3.960 0.000 0.000 0.231 42 G C -0.263 174.276 174.900 -0.602 0.000 0.984 42 G CA -0.061 44.892 45.100 -0.244 0.000 0.660 42 G HN 0.361 nan 8.290 nan 0.000 0.525 43 F N -0.251 119.668 119.950 -0.051 0.000 2.536 43 F HA 0.696 5.224 4.527 0.000 0.000 0.322 43 F C 1.140 176.915 175.800 -0.041 0.000 1.144 43 F CA -0.186 57.776 58.000 -0.063 0.000 0.924 43 F CB 1.583 40.534 39.000 -0.082 0.000 1.181 43 F HN 0.102 nan 8.300 nan 0.000 0.438 44 A N 1.797 124.665 122.820 0.079 0.000 1.841 44 A HA -0.146 4.174 4.320 0.000 0.000 0.214 44 A C 1.215 178.818 177.584 0.033 0.000 1.195 44 A CA 1.035 53.092 52.037 0.033 0.000 0.611 44 A CB -0.536 18.466 19.000 0.002 0.000 0.835 44 A HN 0.658 nan 8.150 nan 0.000 0.443 45 Q N 1.717 121.548 119.800 0.051 0.000 2.257 45 Q HA 0.182 4.522 4.340 0.000 0.000 0.273 45 Q C -2.315 173.696 176.000 0.018 0.000 1.153 45 Q CA -2.129 53.682 55.803 0.014 0.000 0.922 45 Q CB 0.134 28.897 28.738 0.043 0.000 1.242 45 Q HN 0.406 nan 8.270 nan 0.000 0.409 46 P HA -0.017 nan 4.420 nan 0.000 0.269 46 P C -0.830 176.541 177.300 0.118 0.000 1.209 46 P CA -0.153 62.937 63.100 -0.016 0.000 0.776 46 P CB 0.809 32.398 31.700 -0.185 0.000 0.876 47 V N 2.273 122.302 119.914 0.191 0.000 2.498 47 V HA 0.344 4.465 4.120 0.000 0.000 0.279 47 V C 0.936 177.233 176.094 0.338 0.000 1.048 47 V CA -0.551 61.895 62.300 0.243 0.000 0.967 47 V CB 0.608 32.536 31.823 0.176 0.000 0.988 47 V HN 0.724 nan 8.190 nan 0.000 0.473 48 A N 6.935 129.952 122.820 0.329 0.000 2.309 48 A HA 0.705 5.025 4.320 0.000 0.000 0.290 48 A C -0.345 177.179 177.584 -0.100 0.000 1.206 48 A CA -0.243 51.824 52.037 0.049 0.000 0.850 48 A CB -0.150 18.973 19.000 0.205 0.000 1.118 48 A HN 0.780 nan 8.150 nan 0.000 0.523 49 I N 2.611 122.923 120.570 -0.429 0.000 2.406 49 I HA 0.396 4.566 4.170 0.000 0.000 0.290 49 I C -1.277 174.388 176.117 -0.753 0.000 0.999 49 I CA -0.269 60.775 61.300 -0.426 0.000 1.124 49 I CB 1.535 39.408 38.000 -0.212 0.000 1.289 49 I HN 0.540 nan 8.210 nan 0.000 0.441 50 F N 6.574 126.386 119.950 -0.231 0.000 2.449 50 F HA 0.543 5.070 4.527 0.000 0.000 0.342 50 F C -0.264 175.388 175.800 -0.246 0.000 1.127 50 F CA -0.589 57.313 58.000 -0.163 0.000 0.975 50 F CB 1.291 40.277 39.000 -0.024 0.000 1.146 50 F HN 0.108 nan 8.300 nan 0.000 0.444 51 L N 2.541 123.692 121.223 -0.121 0.000 2.317 51 L HA 0.684 5.025 4.340 0.000 0.000 0.281 51 L C 0.708 177.508 176.870 -0.117 0.000 1.024 51 L CA -1.033 53.700 54.840 -0.177 0.000 0.810 51 L CB 1.653 43.480 42.059 -0.387 0.000 1.240 51 L HN 0.895 nan 8.230 nan 0.000 0.427 52 G N 3.642 112.400 108.800 -0.070 0.000 2.324 52 G HA2 -0.246 3.714 3.960 0.000 0.000 0.292 52 G HA3 -0.246 3.714 3.960 0.000 0.000 0.292 52 G C -0.279 174.679 174.900 0.096 0.000 1.079 52 G CA -0.334 44.720 45.100 -0.077 0.000 1.026 52 G HN 0.492 nan 8.290 nan 0.000 0.506 53 I N 2.204 122.828 120.570 0.090 0.000 2.312 53 I HA 0.233 4.403 4.170 0.000 0.000 0.291 53 I C -1.440 174.663 176.117 -0.024 0.000 1.031 53 I CA -2.287 59.017 61.300 0.005 0.000 1.293 53 I CB 1.383 39.308 38.000 -0.126 0.000 1.403 53 I HN 0.044 nan 8.210 nan 0.000 0.484 54 P HA -0.009 nan 4.420 nan 0.000 0.271 54 P C -0.199 176.920 177.300 -0.302 0.000 1.226 54 P CA 0.086 62.944 63.100 -0.402 0.000 0.765 54 P CB 0.446 31.929 31.700 -0.363 0.000 0.835 55 F N 1.576 121.277 119.950 -0.415 0.000 2.661 55 F HA 0.739 5.266 4.527 0.000 0.000 0.306 55 F C -0.042 175.721 175.800 -0.061 0.000 1.094 55 F CA -0.900 56.899 58.000 -0.334 0.000 1.254 55 F CB 0.207 38.957 39.000 -0.416 0.000 1.040 55 F HN 0.400 nan 8.300 nan 0.000 0.562 56 A N 0.606 123.084 122.820 -0.570 0.000 2.586 56 A HA 0.493 4.814 4.320 0.000 0.000 0.290 56 A C -1.390 175.975 177.584 -0.365 0.000 1.086 56 A CA -1.123 50.677 52.037 -0.396 0.000 0.665 56 A CB 0.885 19.567 19.000 -0.530 0.000 1.279 56 A HN 0.197 nan 8.150 nan 0.000 0.423 57 K N 0.875 121.138 120.400 -0.228 0.000 2.276 57 K HA 0.434 4.754 4.320 0.000 0.000 0.283 57 K C -2.443 174.025 176.600 -0.220 0.000 1.044 57 K CA -1.578 54.595 56.287 -0.190 0.000 0.944 57 K CB 0.380 32.810 32.500 -0.116 0.000 1.012 57 K HN 0.320 nan 8.250 nan 0.000 0.472 58 P HA -0.062 nan 4.420 nan 0.000 0.258 58 P C -2.377 174.829 177.300 -0.157 0.000 1.172 58 P CA -0.668 62.317 63.100 -0.191 0.000 0.762 58 P CB 0.181 31.802 31.700 -0.132 0.000 0.764 59 P HA 0.043 nan 4.420 nan 0.000 0.228 59 P C -0.512 176.700 177.300 -0.146 0.000 1.748 59 P CA 0.386 63.393 63.100 -0.155 0.000 0.909 59 P CB 0.010 31.617 31.700 -0.155 0.000 1.882 60 L N -0.350 120.799 121.223 -0.122 0.000 2.379 60 L HA 0.516 4.857 4.340 0.000 0.000 0.269 60 L C 1.655 178.464 176.870 -0.103 0.000 1.084 60 L CA 0.044 54.823 54.840 -0.102 0.000 0.802 60 L CB 0.357 42.369 42.059 -0.078 0.000 1.175 60 L HN 0.288 nan 8.230 nan 0.000 0.448 61 G N 2.226 110.968 108.800 -0.095 0.000 2.591 61 G HA2 -0.284 3.676 3.960 0.000 0.000 0.298 61 G HA3 -0.284 3.676 3.960 0.000 0.000 0.298 61 G C -1.349 173.482 174.900 -0.115 0.000 1.195 61 G CA 0.234 45.279 45.100 -0.091 0.000 0.989 61 G HN 0.617 nan 8.290 nan 0.000 0.551 62 P HA 0.032 nan 4.420 nan 0.000 0.225 62 P C 2.046 179.283 177.300 -0.105 0.000 1.148 62 P CA 1.402 64.460 63.100 -0.071 0.000 0.779 62 P CB -0.096 31.583 31.700 -0.034 0.000 0.780 63 L N -1.122 120.023 121.223 -0.130 0.000 2.478 63 L HA 0.041 4.381 4.340 0.000 0.000 0.223 63 L C 1.851 178.562 176.870 -0.264 0.000 1.140 63 L CA 0.043 54.786 54.840 -0.160 0.000 0.842 63 L CB -0.527 41.452 42.059 -0.134 0.000 0.953 63 L HN -0.052 nan 8.230 nan 0.000 0.452 64 R N 0.562 120.867 120.500 -0.326 0.000 2.623 64 R HA -0.071 4.270 4.340 0.000 0.000 0.271 64 R C -0.179 175.708 176.300 -0.688 0.000 1.043 64 R CA -0.015 55.725 56.100 -0.599 0.000 1.083 64 R CB 0.179 30.043 30.300 -0.726 0.000 0.974 64 R HN 0.054 nan 8.270 nan 0.000 0.436 65 F N -0.106 119.479 119.950 -0.608 0.000 3.080 65 F HA -0.266 4.261 4.527 0.000 0.000 0.292 65 F C 0.099 174.923 175.800 -1.628 0.000 0.891 65 F CA 1.433 58.711 58.000 -1.202 0.000 1.086 65 F CB -2.580 36.178 39.000 -0.403 0.000 1.095 65 F HN 0.639 nan 8.300 nan 0.000 0.633 66 T N -3.417 110.426 114.554 -1.184 0.000 2.894 66 T HA 0.747 5.097 4.350 0.000 0.000 0.309 66 T C -3.014 171.525 174.700 -0.268 0.000 1.208 66 T CA -2.381 59.302 62.100 -0.694 0.000 1.016 66 T CB 3.330 72.033 68.868 -0.275 0.000 1.192 66 T HN -0.243 nan 8.240 nan 0.000 0.491 67 P HA 0.186 nan 4.420 nan 0.000 0.266 67 P C -2.353 175.011 177.300 0.106 0.000 1.193 67 P CA -0.671 62.573 63.100 0.239 0.000 0.770 67 P CB -0.236 31.601 31.700 0.229 0.000 0.836 68 P HA 0.071 nan 4.420 nan 0.000 0.271 68 P C -0.714 176.622 177.300 0.060 0.000 1.216 68 P CA 0.234 63.373 63.100 0.066 0.000 0.771 68 P CB 0.780 32.553 31.700 0.121 0.000 0.864 69 Q N 3.339 123.144 119.800 0.008 0.000 2.248 69 Q HA 0.434 4.774 4.340 0.000 0.000 0.263 69 Q C -2.247 173.764 176.000 0.020 0.000 1.007 69 Q CA -2.206 53.609 55.803 0.021 0.000 0.877 69 Q CB 0.762 29.498 28.738 -0.004 0.000 1.315 69 Q HN 0.356 nan 8.270 nan 0.000 0.454 70 P HA -0.074 nan 4.420 nan 0.000 0.265 70 P C -1.316 175.967 177.300 -0.029 0.000 1.187 70 P CA 0.269 63.422 63.100 0.089 0.000 0.766 70 P CB 0.459 32.232 31.700 0.122 0.000 0.820 71 A N 2.954 125.715 122.820 -0.098 0.000 2.371 71 A HA 0.172 4.493 4.320 0.000 0.000 0.257 71 A C 0.366 177.720 177.584 -0.383 0.000 1.089 71 A CA -0.349 51.551 52.037 -0.228 0.000 0.794 71 A CB -0.015 18.894 19.000 -0.153 0.000 1.029 71 A HN 0.447 nan 8.150 nan 0.000 0.488 72 E N 2.420 122.517 120.200 -0.173 0.000 2.360 72 E HA 0.242 4.592 4.350 0.000 0.000 0.269 72 E C -2.194 174.364 176.600 -0.071 0.000 1.022 72 E CA -1.473 54.863 56.400 -0.108 0.000 0.887 72 E CB 0.285 29.976 29.700 -0.015 0.000 0.990 72 E HN 0.475 nan 8.360 nan 0.000 0.426 73 P HA 0.127 nan 4.420 nan 0.000 0.275 73 P C -0.785 176.532 177.300 0.029 0.000 1.227 73 P CA -0.390 62.627 63.100 -0.138 0.000 0.781 73 P CB 0.297 31.929 31.700 -0.114 0.000 0.906 74 W N 1.109 122.424 121.300 0.025 0.000 2.516 74 W HA 0.569 5.229 4.660 0.000 0.000 0.343 74 W C 0.707 177.195 176.519 -0.053 0.000 1.094 74 W CA -0.686 56.662 57.345 0.006 0.000 1.250 74 W CB -0.288 29.202 29.460 0.050 0.000 1.308 74 W HN 0.149 nan 8.180 nan 0.000 0.588 75 S N 0.552 116.294 115.700 0.070 0.000 2.414 75 S HA 0.063 4.533 4.470 0.000 0.000 0.227 75 S C 0.418 174.679 174.600 -0.566 0.000 1.022 75 S CA 0.694 58.687 58.200 -0.345 0.000 0.958 75 S CB -0.282 62.577 63.200 -0.568 0.000 0.797 75 S HN 0.467 nan 8.310 nan 0.000 0.493 76 F N -0.237 119.855 119.950 0.235 0.000 3.142 76 F HA 0.472 4.999 4.527 0.000 0.000 0.166 76 F C -0.144 175.826 175.800 0.284 0.000 1.598 76 F CA -0.996 57.119 58.000 0.192 0.000 0.920 76 F CB -0.031 39.045 39.000 0.127 0.000 1.949 76 F HN -0.340 nan 8.300 nan 0.000 0.306 77 V N 1.456 121.642 119.914 0.454 0.000 2.347 77 V HA 0.270 4.391 4.120 0.000 0.000 0.280 77 V C -0.348 175.877 176.094 0.219 0.000 1.021 77 V CA -0.991 61.504 62.300 0.324 0.000 0.847 77 V CB 0.932 32.884 31.823 0.215 0.000 0.990 77 V HN 0.372 nan 8.190 nan 0.000 0.444 78 K N 3.984 124.470 120.400 0.143 0.000 2.258 78 K HA 0.297 4.617 4.320 0.000 0.000 0.284 78 K C -0.141 176.430 176.600 -0.048 0.000 1.051 78 K CA -0.533 55.673 56.287 -0.133 0.000 0.923 78 K CB 0.492 32.568 32.500 -0.707 0.000 1.046 78 K HN 0.604 nan 8.250 nan 0.000 0.474 79 N N 2.727 121.390 118.700 -0.062 0.000 2.402 79 N HA 0.091 4.831 4.740 0.000 0.000 0.259 79 N C -0.668 174.803 175.510 -0.066 0.000 1.167 79 N CA 0.057 53.081 53.050 -0.042 0.000 0.949 79 N CB 1.293 39.747 38.487 -0.055 0.000 1.212 79 N HN 0.573 nan 8.380 nan 0.000 0.493 80 A N 1.809 124.625 122.820 -0.007 0.000 3.197 80 A HA 0.154 4.474 4.320 0.000 0.000 0.263 80 A C 1.069 178.594 177.584 -0.098 0.000 1.524 80 A CA -0.408 51.621 52.037 -0.013 0.000 1.176 80 A CB -0.717 18.378 19.000 0.159 0.000 1.096 80 A HN 0.584 nan 8.150 nan 0.000 0.655 81 T N -3.648 110.819 114.554 -0.145 0.000 3.044 81 T HA 0.300 4.650 4.350 0.000 0.000 0.260 81 T C 0.419 174.968 174.700 -0.252 0.000 1.019 81 T CA 0.098 62.079 62.100 -0.198 0.000 0.921 81 T CB 0.119 68.897 68.868 -0.149 0.000 1.053 81 T HN 0.189 nan 8.240 nan 0.000 0.533 82 S N 0.912 116.461 115.700 -0.250 0.000 2.500 82 S HA 0.603 5.073 4.470 0.000 0.000 0.301 82 S C -1.191 173.237 174.600 -0.288 0.000 1.092 82 S CA -0.774 57.275 58.200 -0.252 0.000 1.030 82 S CB 0.776 63.883 63.200 -0.154 0.000 1.031 82 S HN 0.306 nan 8.310 nan 0.000 0.483 83 Y N 3.718 123.956 120.300 -0.103 0.000 2.712 83 Y HA 0.146 4.696 4.550 0.000 0.000 0.333 83 Y C -1.363 174.430 175.900 -0.177 0.000 1.225 83 Y CA -0.916 57.119 58.100 -0.107 0.000 1.499 83 Y CB -0.132 38.285 38.460 -0.072 0.000 1.288 83 Y HN 0.417 nan 8.280 nan 0.000 0.575 84 P HA 0.238 nan 4.420 nan 0.000 0.276 84 P C -2.704 174.502 177.300 -0.157 0.000 1.261 84 P CA -1.707 61.212 63.100 -0.302 0.000 0.800 84 P CB 0.690 32.126 31.700 -0.441 0.000 1.066 85 P HA 0.277 nan 4.420 nan 0.000 0.276 85 P C -0.275 176.980 177.300 -0.074 0.000 1.244 85 P CA -0.213 62.819 63.100 -0.112 0.000 0.801 85 P CB 0.265 31.895 31.700 -0.116 0.000 1.006 86 M N -0.146 119.402 119.600 -0.087 0.000 2.318 86 M HA 0.473 4.953 4.480 0.000 0.000 0.347 86 M C -0.709 175.514 176.300 -0.129 0.000 1.175 86 M CA -0.612 54.634 55.300 -0.090 0.000 1.075 86 M CB 0.534 33.067 32.600 -0.111 0.000 1.614 86 M HN 0.117 nan 8.290 nan 0.000 0.456 87 c N 2.028 120.547 118.600 -0.136 0.000 2.641 87 c HA 0.068 4.638 4.570 0.000 0.000 0.412 87 c C 0.988 174.889 174.090 -0.314 0.000 1.312 87 c CA -0.125 56.066 56.329 -0.230 0.000 1.838 87 c CB -0.602 41.792 42.510 -0.193 0.000 2.682 87 c HN 0.875 nan 8.230 nan 0.000 0.627 88 T N 4.401 118.613 114.554 -0.571 0.000 2.866 88 T HA 0.280 4.631 4.350 0.000 0.000 0.293 88 T C 0.036 174.507 174.700 -0.382 0.000 1.005 88 T CA 0.450 62.156 62.100 -0.657 0.000 1.162 88 T CB -0.207 67.821 68.868 -1.399 0.000 0.968 88 T HN 0.881 nan 8.240 nan 0.000 0.530 89 Q N 1.022 120.745 119.800 -0.129 0.000 2.782 89 Q HA 0.356 4.696 4.340 0.000 0.000 0.308 89 Q C -1.597 174.440 176.000 0.062 0.000 0.883 89 Q CA -1.192 54.636 55.803 0.042 0.000 0.755 89 Q CB 0.888 29.634 28.738 0.014 0.000 1.454 89 Q HN 0.344 nan 8.270 nan 0.000 0.452 90 D N 2.286 122.746 120.400 0.100 0.000 2.426 90 D HA 0.040 4.681 4.640 0.000 0.000 0.261 90 D C -1.251 175.065 176.300 0.028 0.000 1.245 90 D CA -1.468 52.578 54.000 0.077 0.000 0.917 90 D CB 1.051 41.904 40.800 0.088 0.000 1.123 90 D HN 0.301 nan 8.370 nan 0.000 0.508 91 P HA -0.208 nan 4.420 nan 0.000 0.216 91 P C 1.012 178.302 177.300 -0.017 0.000 1.153 91 P CA 1.344 64.436 63.100 -0.013 0.000 0.858 91 P CB 0.434 32.126 31.700 -0.013 0.000 0.789 92 K N 0.059 120.455 120.400 -0.006 0.000 1.985 92 K HA -0.069 4.251 4.320 0.000 0.000 0.210 92 K C 2.503 179.091 176.600 -0.020 0.000 1.047 92 K CA 1.593 57.873 56.287 -0.012 0.000 0.932 92 K CB -0.786 31.712 32.500 -0.003 0.000 0.716 92 K HN 0.022 nan 8.250 nan 0.000 0.439 93 A N 1.334 124.149 122.820 -0.009 0.000 1.877 93 A HA -0.113 4.207 4.320 0.000 0.000 0.216 93 A C 2.472 180.034 177.584 -0.037 0.000 1.186 93 A CA 2.033 54.059 52.037 -0.018 0.000 0.620 93 A CB -1.410 17.597 19.000 0.011 0.000 0.822 93 A HN 0.452 nan 8.150 nan 0.000 0.443 94 G N -0.791 107.993 108.800 -0.028 0.000 2.440 94 G HA2 -0.313 3.647 3.960 0.000 0.000 0.218 94 G HA3 -0.313 3.647 3.960 0.000 0.000 0.218 94 G C 1.646 176.500 174.900 -0.075 0.000 1.154 94 G CA 1.263 46.334 45.100 -0.049 0.000 0.767 94 G HN 0.675 nan 8.290 nan 0.000 0.552 95 Q N -0.534 119.226 119.800 -0.067 0.000 2.046 95 Q HA -0.057 4.284 4.340 0.000 0.000 0.200 95 Q C 2.426 178.376 176.000 -0.084 0.000 0.975 95 Q CA 1.279 57.036 55.803 -0.076 0.000 0.836 95 Q CB -0.300 28.402 28.738 -0.059 0.000 0.896 95 Q HN 0.354 nan 8.270 nan 0.000 0.428 96 L N 0.554 121.732 121.223 -0.075 0.000 2.012 96 L HA -0.173 4.167 4.340 0.000 0.000 0.210 96 L C 2.163 178.949 176.870 -0.140 0.000 1.073 96 L CA 1.673 56.463 54.840 -0.083 0.000 0.748 96 L CB -0.834 41.181 42.059 -0.073 0.000 0.891 96 L HN 0.451 nan 8.230 nan 0.000 0.431 97 L N -1.241 119.876 121.223 -0.177 0.000 2.083 97 L HA -0.153 4.187 4.340 0.000 0.000 0.209 97 L C 2.679 179.376 176.870 -0.289 0.000 1.083 97 L CA 1.981 56.633 54.840 -0.314 0.000 0.752 97 L CB -0.776 41.141 42.059 -0.237 0.000 0.899 97 L HN 0.452 nan 8.230 nan 0.000 0.433 98 S N -0.895 114.702 115.700 -0.172 0.000 2.383 98 S HA -0.190 4.280 4.470 0.000 0.000 0.227 98 S C 1.848 176.358 174.600 -0.150 0.000 1.026 98 S CA 1.467 59.570 58.200 -0.163 0.000 0.981 98 S CB -0.240 62.866 63.200 -0.155 0.000 0.818 98 S HN 0.632 nan 8.310 nan 0.000 0.472 99 E N 0.612 120.745 120.200 -0.112 0.000 2.047 99 E HA -0.077 4.273 4.350 0.000 0.000 0.191 99 E C 2.113 178.711 176.600 -0.004 0.000 0.987 99 E CA 1.238 57.602 56.400 -0.059 0.000 0.799 99 E CB -0.297 29.382 29.700 -0.036 0.000 0.752 99 E HN 0.473 nan 8.360 nan 0.000 0.449 100 L N -0.101 121.102 121.223 -0.034 0.000 2.191 100 L HA -0.134 4.207 4.340 0.000 0.000 0.212 100 L C 1.802 178.825 176.870 0.255 0.000 1.103 100 L CA 0.672 55.547 54.840 0.058 0.000 0.769 100 L CB -0.043 41.946 42.059 -0.117 0.000 0.908 100 L HN 0.115 nan 8.230 nan 0.000 0.438 101 F N -1.507 118.416 119.950 -0.045 0.000 2.694 101 F HA 0.142 4.669 4.527 0.000 0.000 0.292 101 F C 1.637 177.113 175.800 -0.540 0.000 1.121 101 F CA -0.598 57.246 58.000 -0.259 0.000 1.352 101 F CB -0.714 38.134 39.000 -0.254 0.000 1.107 101 F HN -0.215 nan 8.300 nan 0.000 0.597 102 T N 2.362 116.769 114.554 -0.245 0.000 2.939 102 T HA -0.084 4.266 4.350 0.000 0.000 0.312 102 T C 1.288 175.790 174.700 -0.330 0.000 1.064 102 T CA 0.364 62.233 62.100 -0.385 0.000 1.136 102 T CB 0.242 68.957 68.868 -0.255 0.000 1.035 102 T HN 0.404 nan 8.240 nan 0.000 0.538 103 N N 3.833 122.287 118.700 -0.410 0.000 2.236 103 N HA 0.019 4.759 4.740 0.000 0.000 0.196 103 N C 0.336 175.716 175.510 -0.216 0.000 1.114 103 N CA -0.353 52.504 53.050 -0.321 0.000 0.859 103 N CB 0.095 38.378 38.487 -0.339 0.000 0.982 103 N HN 0.712 nan 8.380 nan 0.000 0.493 104 R N 0.905 121.293 120.500 -0.187 0.000 2.500 104 R HA 0.344 4.684 4.340 0.000 0.000 0.277 104 R C 0.954 177.209 176.300 -0.076 0.000 1.026 104 R CA -0.760 55.273 56.100 -0.113 0.000 1.058 104 R CB 1.176 31.413 30.300 -0.105 0.000 1.078 104 R HN -0.092 nan 8.270 nan 0.000 0.509 105 K N 1.172 121.552 120.400 -0.033 0.000 1.991 105 K HA -0.216 4.104 4.320 0.000 0.000 0.212 105 K C -0.052 176.543 176.600 -0.008 0.000 1.049 105 K CA 1.699 57.985 56.287 -0.002 0.000 0.932 105 K CB -0.431 32.081 32.500 0.021 0.000 0.717 105 K HN 0.795 nan 8.250 nan 0.000 0.441 106 E N 1.939 122.128 120.200 -0.018 0.000 2.200 106 E HA 0.095 4.446 4.350 0.000 0.000 0.283 106 E C -0.942 175.620 176.600 -0.063 0.000 1.015 106 E CA -0.742 55.642 56.400 -0.027 0.000 0.819 106 E CB 0.845 30.535 29.700 -0.017 0.000 1.081 106 E HN 0.200 nan 8.360 nan 0.000 0.397 107 N N 4.300 122.959 118.700 -0.069 0.000 2.497 107 N HA 0.035 4.775 4.740 0.000 0.000 0.271 107 N C -0.432 175.000 175.510 -0.130 0.000 1.142 107 N CA -0.598 52.386 53.050 -0.110 0.000 0.965 107 N CB 0.532 38.963 38.487 -0.093 0.000 1.077 107 N HN 0.472 nan 8.380 nan 0.000 0.462 108 I N 5.487 125.936 120.570 -0.202 0.000 2.396 108 I HA 0.199 4.369 4.170 0.000 0.000 0.289 108 I C -1.745 174.252 176.117 -0.200 0.000 1.056 108 I CA -2.205 58.951 61.300 -0.240 0.000 1.365 108 I CB 0.442 38.144 38.000 -0.496 0.000 1.407 108 I HN 0.431 nan 8.210 nan 0.000 0.509 109 P HA 0.322 nan 4.420 nan 0.000 0.276 109 P C -0.777 176.460 177.300 -0.106 0.000 1.235 109 P CA -0.190 62.849 63.100 -0.103 0.000 0.772 109 P CB 1.335 32.995 31.700 -0.068 0.000 0.871 110 L N 2.209 123.371 121.223 -0.103 0.000 2.304 110 L HA 0.573 4.914 4.340 0.000 0.000 0.268 110 L C 0.568 177.392 176.870 -0.077 0.000 1.010 110 L CA -1.202 53.582 54.840 -0.093 0.000 0.813 110 L CB 1.340 43.334 42.059 -0.108 0.000 1.315 110 L HN 0.204 nan 8.230 nan 0.000 0.445 111 K N 0.654 121.010 120.400 -0.075 0.000 2.208 111 K HA 0.648 4.968 4.320 0.000 0.000 0.247 111 K C -1.122 175.424 176.600 -0.091 0.000 0.953 111 K CA -0.336 55.906 56.287 -0.075 0.000 0.837 111 K CB 1.519 33.977 32.500 -0.070 0.000 1.131 111 K HN 0.345 nan 8.250 nan 0.000 0.431 112 L N 1.206 122.372 121.223 -0.095 0.000 2.325 112 L HA 0.597 4.937 4.340 0.000 0.000 0.279 112 L C -0.138 176.648 176.870 -0.140 0.000 1.054 112 L CA -0.487 54.276 54.840 -0.128 0.000 0.804 112 L CB 1.722 43.707 42.059 -0.124 0.000 1.200 112 L HN 0.580 nan 8.230 nan 0.000 0.436 113 S N 0.648 116.236 115.700 -0.187 0.000 2.552 113 S HA 0.206 4.676 4.470 0.000 0.000 0.272 113 S C 0.097 174.541 174.600 -0.260 0.000 1.150 113 S CA -0.617 57.475 58.200 -0.180 0.000 0.849 113 S CB 1.592 64.723 63.200 -0.114 0.000 1.113 113 S HN 0.749 nan 8.310 nan 0.000 0.458 114 E N 0.811 120.858 120.200 -0.255 0.000 2.285 114 E HA -0.041 4.309 4.350 0.000 0.000 0.194 114 E C -0.349 176.137 176.600 -0.189 0.000 0.997 114 E CA 0.461 56.673 56.400 -0.314 0.000 0.845 114 E CB 0.073 29.647 29.700 -0.209 0.000 0.782 114 E HN 0.554 nan 8.360 nan 0.000 0.491 115 D N 0.427 120.761 120.400 -0.110 0.000 2.435 115 D HA -0.007 4.633 4.640 0.000 0.000 0.230 115 D C 0.131 176.484 176.300 0.090 0.000 1.215 115 D CA -0.272 53.712 54.000 -0.027 0.000 0.947 115 D CB -0.002 40.807 40.800 0.014 0.000 1.048 115 D HN 0.138 nan 8.370 nan 0.000 0.512 116 c N 2.405 121.031 118.600 0.043 0.000 3.911 116 c HA 0.355 4.926 4.570 0.000 0.000 0.318 116 c C 0.754 174.933 174.090 0.149 0.000 1.643 116 c CA -0.676 55.749 56.329 0.161 0.000 1.845 116 c CB -1.287 41.223 42.510 0.000 0.000 2.981 116 c HN 0.449 nan 8.230 nan 0.000 0.656 117 L N 2.552 123.643 121.223 -0.220 0.000 2.382 117 L HA 0.333 4.673 4.340 0.000 0.000 0.259 117 L C -0.707 175.697 176.870 -0.777 0.000 1.291 117 L CA 0.669 55.206 54.840 -0.504 0.000 1.176 117 L CB -0.853 40.681 42.059 -0.875 0.000 1.373 117 L HN 0.396 nan 8.230 nan 0.000 0.426 118 Y N 1.876 122.192 120.300 0.025 0.000 2.665 118 Y HA 0.722 5.272 4.550 0.000 0.000 0.336 118 Y C -0.134 175.931 175.900 0.276 0.000 1.085 118 Y CA -1.282 56.874 58.100 0.094 0.000 1.096 118 Y CB 1.842 40.293 38.460 -0.016 0.000 1.301 118 Y HN 0.152 nan 8.280 nan 0.000 0.493 119 L N -0.365 121.029 121.223 0.285 0.000 2.424 119 L HA 0.732 5.073 4.340 0.000 0.000 0.258 119 L C -1.525 175.377 176.870 0.053 0.000 0.995 119 L CA -1.176 53.742 54.840 0.130 0.000 0.821 119 L CB 1.756 43.787 42.059 -0.048 0.000 1.383 119 L HN 0.395 nan 8.230 nan 0.000 0.410 120 N N 1.745 120.493 118.700 0.080 0.000 2.361 120 N HA 0.723 5.463 4.740 0.000 0.000 0.302 120 N C -1.199 174.269 175.510 -0.070 0.000 1.074 120 N CA -0.198 52.847 53.050 -0.009 0.000 0.850 120 N CB 2.503 41.036 38.487 0.077 0.000 1.228 120 N HN 0.696 nan 8.380 nan 0.000 0.491 121 I N 2.035 122.479 120.570 -0.210 0.000 2.436 121 I HA 0.304 4.474 4.170 0.000 0.000 0.289 121 I C -1.069 174.905 176.117 -0.239 0.000 1.010 121 I CA -0.743 60.474 61.300 -0.137 0.000 1.098 121 I CB 1.178 39.044 38.000 -0.223 0.000 1.266 121 I HN 0.341 nan 8.210 nan 0.000 0.434 122 Y N 3.608 124.024 120.300 0.193 0.000 2.447 122 Y HA 0.356 4.906 4.550 0.000 0.000 0.325 122 Y C 0.365 176.383 175.900 0.195 0.000 0.976 122 Y CA -0.656 57.555 58.100 0.185 0.000 1.280 122 Y CB 1.897 40.447 38.460 0.150 0.000 1.104 122 Y HN 0.369 nan 8.280 nan 0.000 0.486 123 T N 5.226 119.987 114.554 0.344 0.000 2.786 123 T HA 0.302 4.652 4.350 0.000 0.000 0.283 123 T C -1.931 172.929 174.700 0.267 0.000 0.992 123 T CA -2.324 59.962 62.100 0.310 0.000 0.954 123 T CB 1.203 70.297 68.868 0.377 0.000 0.934 123 T HN 0.353 nan 8.240 nan 0.000 0.440 124 P HA 0.219 nan 4.420 nan 0.000 0.240 124 P C 0.429 177.815 177.300 0.142 0.000 1.190 124 P CA -0.066 63.115 63.100 0.135 0.000 0.781 124 P CB 0.082 31.817 31.700 0.060 0.000 0.931 125 A N 1.129 124.048 122.820 0.165 0.000 2.466 125 A HA 0.089 4.409 4.320 0.000 0.000 0.238 125 A C 0.036 177.720 177.584 0.166 0.000 1.074 125 A CA 0.038 52.162 52.037 0.146 0.000 0.774 125 A CB -0.482 18.605 19.000 0.145 0.000 1.015 125 A HN 0.018 nan 8.150 nan 0.000 0.498 126 D N 1.656 122.130 120.400 0.124 0.000 2.393 126 D HA 0.294 4.934 4.640 0.000 0.000 0.232 126 D C 0.893 177.272 176.300 0.132 0.000 1.192 126 D CA -0.127 53.947 54.000 0.122 0.000 0.882 126 D CB 0.022 40.864 40.800 0.070 0.000 1.038 126 D HN 0.394 nan 8.370 nan 0.000 0.499 127 L N 2.695 124.030 121.223 0.186 0.000 2.349 127 L HA -0.130 4.210 4.340 0.000 0.000 0.220 127 L C 2.240 179.168 176.870 0.098 0.000 1.130 127 L CA 1.375 56.304 54.840 0.148 0.000 0.791 127 L CB -0.724 41.450 42.059 0.192 0.000 0.918 127 L HN 0.550 nan 8.230 nan 0.000 0.444 128 T N -3.552 111.062 114.554 0.101 0.000 3.160 128 T HA 0.054 4.404 4.350 0.000 0.000 0.257 128 T C 0.624 175.352 174.700 0.045 0.000 1.147 128 T CA 0.201 62.343 62.100 0.069 0.000 1.064 128 T CB -0.015 68.894 68.868 0.068 0.000 0.949 128 T HN 0.244 nan 8.240 nan 0.000 0.526 129 K N 0.144 120.571 120.400 0.045 0.000 2.466 129 K HA 0.457 4.777 4.320 0.000 0.000 0.260 129 K C -1.020 175.596 176.600 0.027 0.000 1.011 129 K CA -1.127 55.179 56.287 0.031 0.000 0.871 129 K CB 1.686 34.205 32.500 0.032 0.000 1.404 129 K HN -0.152 nan 8.250 nan 0.000 0.450 130 K N 2.218 122.628 120.400 0.017 0.000 2.312 130 K HA 0.204 4.525 4.320 0.000 0.000 0.287 130 K C -1.212 175.400 176.600 0.020 0.000 1.062 130 K CA 0.125 56.418 56.287 0.011 0.000 0.934 130 K CB 0.239 32.739 32.500 0.001 0.000 1.027 130 K HN 0.572 nan 8.250 nan 0.000 0.478 131 N N 2.630 121.347 118.700 0.028 0.000 2.262 131 N HA 0.400 5.141 4.740 0.000 0.000 0.295 131 N C -1.362 174.168 175.510 0.033 0.000 1.161 131 N CA -0.844 52.228 53.050 0.036 0.000 0.767 131 N CB 1.522 40.043 38.487 0.057 0.000 1.499 131 N HN 0.312 nan 8.380 nan 0.000 0.476 132 R N 1.285 121.801 120.500 0.027 0.000 2.653 132 R HA 0.371 4.711 4.340 0.000 0.000 0.269 132 R C -1.163 175.149 176.300 0.021 0.000 1.603 132 R CA -0.306 55.806 56.100 0.020 0.000 1.671 132 R CB 0.121 30.421 30.300 -0.001 0.000 1.300 132 R HN 0.470 nan 8.270 nan 0.000 0.668 133 L N 2.223 123.471 121.223 0.042 0.000 2.436 133 L HA 0.468 4.808 4.340 0.000 0.000 0.265 133 L C -1.642 175.251 176.870 0.037 0.000 1.168 133 L CA -1.965 52.900 54.840 0.041 0.000 0.815 133 L CB 0.483 42.580 42.059 0.063 0.000 1.109 133 L HN 0.128 nan 8.230 nan 0.000 0.462 134 P HA 0.042 nan 4.420 nan 0.000 0.268 134 P C -0.810 176.518 177.300 0.047 0.000 1.205 134 P CA -0.096 63.013 63.100 0.015 0.000 0.771 134 P CB 0.965 32.658 31.700 -0.011 0.000 0.858 135 V N 5.024 124.978 119.914 0.067 0.000 2.427 135 V HA 0.350 4.471 4.120 0.000 0.000 0.286 135 V C 0.665 176.830 176.094 0.118 0.000 1.034 135 V CA -0.314 62.051 62.300 0.108 0.000 0.893 135 V CB 1.015 32.916 31.823 0.130 0.000 0.982 135 V HN 0.487 nan 8.190 nan 0.000 0.452 136 M N 4.995 124.682 119.600 0.145 0.000 2.078 136 M HA 0.468 4.948 4.480 0.000 0.000 0.320 136 M C -1.083 175.486 176.300 0.448 0.000 0.969 136 M CA -0.558 54.845 55.300 0.171 0.000 0.929 136 M CB 1.859 34.420 32.600 -0.064 0.000 1.504 136 M HN 0.361 nan 8.290 nan 0.000 0.419 137 V N 3.521 123.720 119.914 0.476 0.000 2.364 137 V HA 0.282 4.402 4.120 0.000 0.000 0.272 137 V C -0.569 175.844 176.094 0.532 0.000 1.036 137 V CA -0.560 62.001 62.300 0.434 0.000 0.880 137 V CB 1.092 33.052 31.823 0.228 0.000 0.991 137 V HN 0.843 nan 8.190 nan 0.000 0.460 138 W N 7.027 128.424 121.300 0.162 0.000 2.390 138 W HA 0.598 5.258 4.660 0.001 0.000 0.312 138 W C -1.211 175.185 176.519 -0.205 0.000 1.123 138 W CA -0.863 56.308 57.345 -0.290 0.000 1.202 138 W CB 1.248 30.536 29.460 -0.287 0.000 1.251 138 W HN 0.440 nan 8.180 nan 0.000 0.511 139 I N 7.237 127.170 120.570 -1.062 0.000 2.359 139 I HA 0.029 4.199 4.170 0.000 0.000 0.284 139 I C 0.320 175.690 176.117 -1.245 0.000 1.018 139 I CA -0.881 59.897 61.300 -0.869 0.000 1.173 139 I CB 0.765 38.391 38.000 -0.623 0.000 1.326 139 I HN 0.444 nan 8.210 nan 0.000 0.462 140 H N 4.368 123.017 119.070 -0.702 0.000 2.852 140 H HA 0.516 5.072 4.556 0.000 0.000 0.362 140 H C 0.367 175.654 175.328 -0.070 0.000 1.122 140 H CA -0.362 55.448 56.048 -0.396 0.000 1.419 140 H CB 0.544 30.344 29.762 0.063 0.000 1.401 140 H HN 0.576 nan 8.280 nan 0.000 0.609 141 G N -0.621 108.330 108.800 0.251 0.000 2.583 141 G HA2 0.500 4.460 3.960 0.000 0.000 0.280 141 G HA3 0.500 4.460 3.960 0.000 0.000 0.280 141 G C 0.254 175.442 174.900 0.481 0.000 1.376 141 G CA -1.061 44.215 45.100 0.294 0.000 1.043 141 G HN 1.499 nan 8.290 nan 0.000 0.538 142 G N -2.676 106.344 108.800 0.366 0.000 2.325 142 G HA2 0.419 4.380 3.960 0.000 0.000 0.214 142 G HA3 0.419 4.380 3.960 0.000 0.000 0.214 142 G C 0.985 176.011 174.900 0.209 0.000 1.087 142 G CA 0.648 45.926 45.100 0.298 0.000 0.811 142 G HN 2.266 nan 8.290 nan 0.000 0.486 143 G N -0.003 108.907 108.800 0.183 0.000 2.269 143 G HA2 -0.204 3.756 3.960 0.000 0.000 0.277 143 G HA3 -0.204 3.756 3.960 0.000 0.000 0.277 143 G C 1.234 176.148 174.900 0.023 0.000 1.008 143 G CA 0.852 46.005 45.100 0.089 0.000 0.774 143 G HN 1.831 nan 8.290 nan 0.000 0.511 144 L N -3.680 117.599 121.223 0.093 0.000 4.625 144 L HA -0.294 4.046 4.340 0.000 0.000 0.428 144 L C 2.054 179.013 176.870 0.147 0.000 1.129 144 L CA 1.621 56.520 54.840 0.098 0.000 0.978 144 L CB -1.499 40.339 42.059 -0.369 0.000 2.043 144 L HN 0.445 nan 8.230 nan 0.000 0.847 145 M N -1.338 118.336 119.600 0.123 0.000 2.740 145 M HA 0.295 4.775 4.480 0.000 0.000 0.253 145 M C 0.891 177.274 176.300 0.139 0.000 1.341 145 M CA 1.309 56.686 55.300 0.128 0.000 1.176 145 M CB 0.413 33.067 32.600 0.091 0.000 1.310 145 M HN 0.233 nan 8.290 nan 0.000 0.531 146 V N -2.249 117.738 119.914 0.123 0.000 3.156 146 V HA 1.054 5.175 4.120 0.000 0.000 0.311 146 V C -0.275 175.858 176.094 0.065 0.000 1.208 146 V CA -0.200 62.142 62.300 0.070 0.000 1.063 146 V CB 1.323 33.175 31.823 0.048 0.000 1.098 146 V HN 0.544 nan 8.190 nan 0.000 0.452 147 G N -0.742 108.013 108.800 -0.075 0.000 2.362 147 G HA2 0.624 4.585 3.960 0.000 0.000 0.656 147 G HA3 0.624 4.585 3.960 0.000 0.000 0.656 147 G C -0.717 173.787 174.900 -0.659 0.000 1.376 147 G CA -0.134 44.772 45.100 -0.324 0.000 0.971 147 G HN 2.639 nan 8.290 nan 0.000 0.636 148 A N -1.093 121.230 122.820 -0.828 0.000 2.605 148 A HA 1.020 5.341 4.320 0.000 0.000 0.294 148 A C 0.693 178.248 177.584 -0.049 0.000 1.062 148 A CA 0.664 52.462 52.037 -0.398 0.000 0.682 148 A CB 0.857 19.755 19.000 -0.172 0.000 1.278 148 A HN 2.543 nan 8.150 nan 0.000 0.410 149 A N 0.308 123.241 122.820 0.188 0.000 1.970 149 A HA 0.161 4.482 4.320 0.000 0.000 0.216 149 A C 1.933 179.706 177.584 0.316 0.000 1.170 149 A CA 2.182 54.441 52.037 0.370 0.000 0.645 149 A CB -0.661 18.552 19.000 0.354 0.000 0.816 149 A HN 1.178 nan 8.150 nan 0.000 0.447 150 S N 0.030 115.833 115.700 0.172 0.000 2.469 150 S HA -0.118 4.352 4.470 0.000 0.000 0.238 150 S C 1.844 176.385 174.600 -0.098 0.000 0.998 150 S CA 1.527 59.772 58.200 0.075 0.000 0.957 150 S CB -0.504 62.654 63.200 -0.069 0.000 0.764 150 S HN 0.686 nan 8.310 nan 0.000 0.514 151 T N 1.006 115.496 114.554 -0.107 0.000 2.720 151 T HA -0.090 4.260 4.350 0.000 0.000 0.268 151 T C 0.098 174.452 174.700 -0.577 0.000 1.037 151 T CA 1.154 63.035 62.100 -0.366 0.000 1.144 151 T CB -0.313 68.273 68.868 -0.470 0.000 0.864 151 T HN 0.409 nan 8.240 nan 0.000 0.444 152 Y N 1.634 121.764 120.300 -0.284 0.000 2.350 152 Y HA 0.445 4.996 4.550 0.000 0.000 0.340 152 Y C 0.115 175.774 175.900 -0.401 0.000 1.006 152 Y CA -2.032 55.706 58.100 -0.604 0.000 1.166 152 Y CB 0.400 38.243 38.460 -1.028 0.000 1.168 152 Y HN -0.076 nan 8.280 nan 0.000 0.502 153 D N 2.286 122.476 120.400 -0.350 0.000 2.373 153 D HA 0.233 4.873 4.640 0.000 0.000 0.227 153 D C 0.892 176.929 176.300 -0.439 0.000 1.091 153 D CA -0.322 53.482 54.000 -0.327 0.000 0.840 153 D CB 1.399 42.081 40.800 -0.198 0.000 1.060 153 D HN 0.829 nan 8.370 nan 0.000 0.502 154 G N 3.089 111.277 108.800 -1.020 0.000 3.088 154 G HA2 -0.102 3.859 3.960 0.000 0.000 0.212 154 G HA3 -0.102 3.859 3.960 0.000 0.000 0.212 154 G C 1.311 175.935 174.900 -0.460 0.000 1.173 154 G CA -0.093 44.650 45.100 -0.595 0.000 0.779 154 G HN 0.490 nan 8.290 nan 0.000 0.540 155 L N 1.527 122.465 121.223 -0.476 0.000 1.990 155 L HA -0.048 4.292 4.340 0.000 0.000 0.213 155 L C 2.917 179.727 176.870 -0.100 0.000 1.072 155 L CA 2.524 57.283 54.840 -0.135 0.000 0.755 155 L CB -0.610 41.427 42.059 -0.036 0.000 0.889 155 L HN 0.208 nan 8.230 nan 0.000 0.432 156 A N -0.950 121.818 122.820 -0.087 0.000 1.873 156 A HA -0.176 4.145 4.320 0.000 0.000 0.215 156 A C 2.237 179.745 177.584 -0.127 0.000 1.186 156 A CA 1.805 53.797 52.037 -0.075 0.000 0.616 156 A CB -1.064 17.896 19.000 -0.066 0.000 0.823 156 A HN 0.491 nan 8.150 nan 0.000 0.442 157 L N -0.176 120.962 121.223 -0.141 0.000 2.046 157 L HA -0.053 4.287 4.340 0.000 0.000 0.208 157 L C 2.630 179.446 176.870 -0.089 0.000 1.077 157 L CA 2.202 56.953 54.840 -0.149 0.000 0.747 157 L CB -0.795 41.145 42.059 -0.198 0.000 0.896 157 L HN 0.346 nan 8.230 nan 0.000 0.432 158 A N -0.517 122.267 122.820 -0.059 0.000 1.877 158 A HA -0.079 4.242 4.320 0.000 0.000 0.216 158 A C 2.434 179.962 177.584 -0.093 0.000 1.186 158 A CA 1.915 53.945 52.037 -0.011 0.000 0.620 158 A CB -1.176 17.876 19.000 0.086 0.000 0.822 158 A HN 0.573 nan 8.150 nan 0.000 0.443 159 A N -1.394 121.282 122.820 -0.239 0.000 1.872 159 A HA -0.129 4.191 4.320 0.000 0.000 0.214 159 A C 2.090 179.281 177.584 -0.655 0.000 1.187 159 A CA 1.404 53.105 52.037 -0.560 0.000 0.614 159 A CB -0.956 17.450 19.000 -0.991 0.000 0.826 159 A HN 0.667 nan 8.150 nan 0.000 0.442 160 H N -0.512 118.209 119.070 -0.580 0.000 2.319 160 H HA -0.061 4.495 4.556 0.000 0.000 0.299 160 H C 1.030 176.303 175.328 -0.091 0.000 1.092 160 H CA 1.655 57.543 56.048 -0.266 0.000 1.302 160 H CB 0.195 29.770 29.762 -0.312 0.000 1.373 160 H HN 0.404 nan 8.280 nan 0.000 0.497 161 E N 0.413 120.621 120.200 0.013 0.000 2.476 161 E HA -0.017 4.334 4.350 0.000 0.000 0.196 161 E C 0.003 176.611 176.600 0.013 0.000 1.029 161 E CA -0.276 56.136 56.400 0.019 0.000 0.896 161 E CB -0.211 29.494 29.700 0.008 0.000 1.012 161 E HN 0.365 nan 8.360 nan 0.000 0.475 162 N N 0.974 119.672 118.700 -0.003 0.000 2.667 162 N HA -0.175 4.565 4.740 0.000 0.000 0.263 162 N C -0.655 174.874 175.510 0.032 0.000 1.038 162 N CA 0.737 53.797 53.050 0.017 0.000 0.749 162 N CB -0.878 37.629 38.487 0.034 0.000 0.892 162 N HN 0.032 nan 8.380 nan 0.000 0.546 163 V N -2.387 117.549 119.914 0.037 0.000 3.078 163 V HA 0.674 4.794 4.120 0.000 0.000 0.311 163 V C 0.300 176.452 176.094 0.097 0.000 1.138 163 V CA -0.985 61.348 62.300 0.055 0.000 1.007 163 V CB 2.181 34.023 31.823 0.030 0.000 1.045 163 V HN -0.103 nan 8.190 nan 0.000 0.432 164 V N 3.146 123.134 119.914 0.123 0.000 2.408 164 V HA 0.374 4.495 4.120 0.000 0.000 0.267 164 V C 0.213 176.431 176.094 0.207 0.000 1.047 164 V CA -0.202 62.203 62.300 0.175 0.000 0.937 164 V CB 1.121 33.049 31.823 0.174 0.000 0.999 164 V HN 0.726 nan 8.190 nan 0.000 0.472 165 V N 6.213 126.293 119.914 0.276 0.000 2.439 165 V HA 0.435 4.555 4.120 0.000 0.000 0.282 165 V C -0.056 176.287 176.094 0.415 0.000 1.039 165 V CA -0.436 62.079 62.300 0.358 0.000 0.913 165 V CB 1.799 33.840 31.823 0.363 0.000 0.983 165 V HN 0.594 nan 8.190 nan 0.000 0.460 166 V N 4.176 124.328 119.914 0.396 0.000 2.409 166 V HA 0.405 4.525 4.120 0.000 0.000 0.290 166 V C 0.174 176.490 176.094 0.370 0.000 1.017 166 V CA -0.524 61.969 62.300 0.322 0.000 0.841 166 V CB 2.082 34.044 31.823 0.233 0.000 1.003 166 V HN 1.002 nan 8.190 nan 0.000 0.426 167 T N 3.993 118.774 114.554 0.379 0.000 2.743 167 T HA 0.755 5.105 4.350 0.000 0.000 0.292 167 T C -0.263 174.604 174.700 0.279 0.000 0.972 167 T CA -0.441 61.898 62.100 0.400 0.000 0.967 167 T CB 0.962 70.108 68.868 0.463 0.000 0.926 167 T HN 0.624 nan 8.240 nan 0.000 0.459 168 I N 0.516 121.214 120.570 0.213 0.000 2.924 168 I HA 0.669 4.839 4.170 0.000 0.000 0.316 168 I C -0.539 175.749 176.117 0.284 0.000 1.014 168 I CA -1.248 60.143 61.300 0.151 0.000 1.106 168 I CB 1.754 39.725 38.000 -0.048 0.000 1.311 168 I HN 0.541 nan 8.210 nan 0.000 0.502 169 Q N 1.744 121.750 119.800 0.343 0.000 2.433 169 Q HA 0.559 4.899 4.340 0.000 0.000 0.279 169 Q C -1.916 174.349 176.000 0.441 0.000 1.105 169 Q CA -0.788 55.239 55.803 0.372 0.000 0.815 169 Q CB 2.846 31.766 28.738 0.304 0.000 1.403 169 Q HN 0.721 nan 8.270 nan 0.000 0.435 170 Y N -2.598 117.831 120.300 0.216 0.000 2.597 170 Y HA 0.536 5.087 4.550 0.001 0.000 0.340 170 Y C -0.931 175.047 175.900 0.131 0.000 1.097 170 Y CA -1.480 56.720 58.100 0.167 0.000 1.037 170 Y CB 0.806 39.313 38.460 0.079 0.000 1.305 170 Y HN 0.405 nan 8.280 nan 0.000 0.463 171 R N 2.140 122.724 120.500 0.141 0.000 2.538 171 R HA 0.356 4.696 4.340 0.000 0.000 0.282 171 R C -0.829 175.533 176.300 0.104 0.000 1.009 171 R CA 0.108 56.248 56.100 0.068 0.000 1.063 171 R CB 0.157 30.520 30.300 0.105 0.000 0.945 171 R HN 0.656 nan 8.270 nan 0.000 0.414 172 L N 1.518 122.826 121.223 0.142 0.000 2.331 172 L HA 0.502 4.843 4.340 0.000 0.000 0.268 172 L C 1.378 178.527 176.870 0.465 0.000 1.015 172 L CA -0.448 54.576 54.840 0.307 0.000 0.807 172 L CB 1.246 43.399 42.059 0.157 0.000 1.293 172 L HN 0.881 nan 8.230 nan 0.000 0.451 173 G N 0.396 109.481 108.800 0.474 0.000 2.602 173 G HA2 -0.334 3.626 3.960 0.000 0.000 0.306 173 G HA3 -0.334 3.626 3.960 0.000 0.000 0.306 173 G C 0.881 176.037 174.900 0.427 0.000 1.301 173 G CA 0.605 45.930 45.100 0.374 0.000 0.974 173 G HN 0.664 nan 8.290 nan 0.000 0.547 174 I N -0.704 120.046 120.570 0.299 0.000 2.087 174 I HA -0.265 3.905 4.170 0.000 0.000 0.240 174 I C 2.872 179.240 176.117 0.418 0.000 1.054 174 I CA 2.736 64.167 61.300 0.219 0.000 1.311 174 I CB -0.416 37.479 38.000 -0.175 0.000 1.024 174 I HN 0.594 nan 8.210 nan 0.000 0.402 175 W N 0.639 122.126 121.300 0.313 0.000 2.305 175 W HA -0.189 4.471 4.660 0.000 0.000 0.308 175 W C 2.262 178.922 176.519 0.235 0.000 1.226 175 W CA 1.457 58.903 57.345 0.169 0.000 1.253 175 W CB -0.980 28.483 29.460 0.005 0.000 1.146 175 W HN 0.287 nan 8.180 nan 0.000 0.507 176 G N -2.885 106.164 108.800 0.414 0.000 3.159 176 G HA2 0.167 4.128 3.960 0.000 0.000 0.232 176 G HA3 0.167 4.128 3.960 0.000 0.000 0.232 176 G C 0.421 174.975 174.900 -0.577 0.000 1.116 176 G CA -0.088 45.016 45.100 0.006 0.000 0.767 176 G HN 0.119 nan 8.290 nan 0.000 0.547 177 F N -1.106 119.085 119.950 0.403 0.000 2.960 177 F HA 0.378 4.905 4.527 0.000 0.000 0.345 177 F C 0.172 176.053 175.800 0.136 0.000 1.147 177 F CA -1.741 56.335 58.000 0.127 0.000 1.099 177 F CB 0.117 39.124 39.000 0.011 0.000 1.219 177 F HN 0.023 nan 8.300 nan 0.000 0.525 178 F N 2.226 122.370 119.950 0.323 0.000 2.571 178 F HA 0.382 4.909 4.527 0.001 0.000 0.384 178 F C 0.456 176.330 175.800 0.123 0.000 1.058 178 F CA 0.341 58.421 58.000 0.133 0.000 1.200 178 F CB 0.482 39.410 39.000 -0.119 0.000 1.077 178 F HN -0.085 nan 8.300 nan 0.000 0.558 179 S N 3.756 118.986 115.700 -0.783 0.000 2.571 179 S HA 0.309 4.780 4.470 0.000 0.000 0.284 179 S C 0.425 174.591 174.600 -0.724 0.000 1.128 179 S CA -0.091 57.750 58.200 -0.598 0.000 0.970 179 S CB 1.347 64.362 63.200 -0.309 0.000 1.039 179 S HN 0.813 nan 8.310 nan 0.000 0.485 180 T N 1.088 115.351 114.554 -0.485 0.000 3.081 180 T HA 0.372 4.723 4.350 0.000 0.000 0.250 180 T C 1.528 176.141 174.700 -0.144 0.000 1.100 180 T CA 0.620 62.553 62.100 -0.278 0.000 1.038 180 T CB -0.089 68.735 68.868 -0.074 0.000 0.962 180 T HN 1.726 nan 8.240 nan 0.000 0.516 181 G N 2.164 110.875 108.800 -0.148 0.000 2.176 181 G HA2 -0.223 3.737 3.960 0.000 0.000 0.253 181 G HA3 -0.223 3.737 3.960 0.000 0.000 0.253 181 G C -0.198 174.659 174.900 -0.072 0.000 0.979 181 G CA 0.342 45.381 45.100 -0.102 0.000 0.641 181 G HN 0.877 nan 8.290 nan 0.000 0.530 182 D N -1.099 119.268 120.400 -0.056 0.000 2.758 182 D HA 0.487 5.127 4.640 0.000 0.000 0.262 182 D C 1.390 177.643 176.300 -0.079 0.000 1.113 182 D CA -0.028 53.933 54.000 -0.065 0.000 1.114 182 D CB -0.244 40.523 40.800 -0.055 0.000 1.363 182 D HN 0.126 nan 8.370 nan 0.000 0.617 183 E N -0.219 119.878 120.200 -0.171 0.000 2.409 183 E HA -0.199 4.151 4.350 0.000 0.000 0.198 183 E C 0.822 177.356 176.600 -0.109 0.000 1.024 183 E CA 1.088 57.394 56.400 -0.157 0.000 0.861 183 E CB -0.798 28.776 29.700 -0.210 0.000 0.788 183 E HN 0.645 nan 8.360 nan 0.000 0.521 184 H N 0.191 119.316 119.070 0.091 0.000 2.555 184 H HA 0.216 4.772 4.556 0.001 0.000 0.269 184 H C 0.074 175.512 175.328 0.184 0.000 0.988 184 H CA 0.801 56.920 56.048 0.118 0.000 1.178 184 H CB 0.463 30.280 29.762 0.091 0.000 1.373 184 H HN 0.027 nan 8.280 nan 0.000 0.588 185 S N -0.431 115.438 115.700 0.282 0.000 2.888 185 S HA 0.097 4.567 4.470 0.000 0.000 0.145 185 S C 0.582 175.318 174.600 0.226 0.000 0.705 185 S CA -0.612 57.846 58.200 0.430 0.000 0.891 185 S CB -0.148 63.256 63.200 0.340 0.000 1.592 185 S HN 0.259 nan 8.310 nan 0.000 0.514 186 R N 1.508 122.104 120.500 0.161 0.000 2.096 186 R HA 0.175 4.516 4.340 0.000 0.000 0.240 186 R C 1.456 177.545 176.300 -0.351 0.000 1.139 186 R CA 1.405 57.433 56.100 -0.121 0.000 0.952 186 R CB -0.270 29.946 30.300 -0.140 0.000 0.854 186 R HN 0.899 nan 8.270 nan 0.000 0.436 187 G N -0.839 107.453 108.800 -0.847 0.000 2.422 187 G HA2 -0.189 3.771 3.960 0.000 0.000 0.607 187 G HA3 -0.189 3.771 3.960 0.000 0.000 0.607 187 G C -0.719 173.409 174.900 -1.287 0.000 1.270 187 G CA -0.393 44.096 45.100 -1.019 0.000 0.992 187 G HN 0.236 nan 8.290 nan 0.000 0.499 188 N N -1.163 117.117 118.700 -0.701 0.000 2.741 188 N HA -0.204 4.536 4.740 0.000 0.000 0.251 188 N C 1.227 176.462 175.510 -0.458 0.000 1.112 188 N CA 2.009 54.843 53.050 -0.359 0.000 0.750 188 N CB -1.613 36.815 38.487 -0.099 0.000 1.119 188 N HN 0.714 nan 8.380 nan 0.000 0.561 189 W N 0.684 121.885 121.300 -0.165 0.000 2.317 189 W HA -0.151 4.509 4.660 0.001 0.000 0.318 189 W C 2.542 178.944 176.519 -0.194 0.000 1.227 189 W CA 0.932 58.206 57.345 -0.119 0.000 1.269 189 W CB -0.887 28.534 29.460 -0.064 0.000 1.155 189 W HN 0.281 nan 8.180 nan 0.000 0.484 190 G N 0.249 108.818 108.800 -0.385 0.000 2.529 190 G HA2 -0.332 3.628 3.960 0.000 0.000 0.219 190 G HA3 -0.332 3.628 3.960 0.000 0.000 0.219 190 G C 1.231 176.097 174.900 -0.057 0.000 1.177 190 G CA 1.689 46.632 45.100 -0.261 0.000 0.773 190 G HN 0.305 nan 8.290 nan 0.000 0.573 191 H N 0.371 119.428 119.070 -0.022 0.000 2.353 191 H HA 0.046 4.602 4.556 0.000 0.000 0.300 191 H C 2.787 178.110 175.328 -0.009 0.000 1.090 191 H CA 1.038 57.067 56.048 -0.031 0.000 1.327 191 H CB -0.453 29.305 29.762 -0.007 0.000 1.383 191 H HN 0.284 nan 8.280 nan 0.000 0.508 192 L N 0.491 121.806 121.223 0.154 0.000 2.131 192 L HA -0.164 4.176 4.340 0.000 0.000 0.210 192 L C 2.010 178.993 176.870 0.188 0.000 1.092 192 L CA 0.979 55.914 54.840 0.158 0.000 0.759 192 L CB -0.223 41.956 42.059 0.199 0.000 0.903 192 L HN 0.146 nan 8.230 nan 0.000 0.435 193 D N -0.233 120.298 120.400 0.218 0.000 2.144 193 D HA -0.171 4.469 4.640 0.000 0.000 0.200 193 D C 2.267 178.714 176.300 0.246 0.000 0.978 193 D CA 1.035 55.234 54.000 0.332 0.000 0.833 193 D CB -0.103 40.927 40.800 0.384 0.000 0.961 193 D HN 0.434 nan 8.370 nan 0.000 0.470 194 Q N 0.321 120.180 119.800 0.098 0.000 2.084 194 Q HA -0.085 4.255 4.340 0.000 0.000 0.202 194 Q C 2.423 178.396 176.000 -0.044 0.000 0.978 194 Q CA 0.858 56.627 55.803 -0.056 0.000 0.844 194 Q CB 0.025 28.673 28.738 -0.150 0.000 0.898 194 Q HN 0.137 nan 8.270 nan 0.000 0.426 195 V N 0.984 120.914 119.914 0.027 0.000 2.427 195 V HA -0.254 3.866 4.120 0.000 0.000 0.248 195 V C 2.260 178.406 176.094 0.087 0.000 1.051 195 V CA 1.705 64.034 62.300 0.048 0.000 1.048 195 V CB -0.951 30.914 31.823 0.070 0.000 0.666 195 V HN 0.395 nan 8.190 nan 0.000 0.456 196 A N 0.027 122.938 122.820 0.151 0.000 1.933 196 A HA -0.121 4.199 4.320 0.000 0.000 0.218 196 A C 2.408 180.116 177.584 0.206 0.000 1.175 196 A CA 2.076 54.262 52.037 0.249 0.000 0.628 196 A CB -0.655 18.585 19.000 0.400 0.000 0.814 196 A HN 0.564 nan 8.150 nan 0.000 0.444 197 A N -0.253 122.483 122.820 -0.140 0.000 1.873 197 A HA 0.010 4.330 4.320 0.000 0.000 0.215 197 A C 2.130 179.687 177.584 -0.046 0.000 1.186 197 A CA 1.355 53.080 52.037 -0.520 0.000 0.616 197 A CB -0.588 17.839 19.000 -0.955 0.000 0.823 197 A HN 0.458 nan 8.150 nan 0.000 0.442 198 L N -0.913 120.303 121.223 -0.012 0.000 2.127 198 L HA -0.205 4.135 4.340 0.000 0.000 0.211 198 L C 2.842 179.776 176.870 0.107 0.000 1.089 198 L CA 1.341 56.219 54.840 0.064 0.000 0.757 198 L CB -0.438 41.656 42.059 0.058 0.000 0.899 198 L HN 0.383 nan 8.230 nan 0.000 0.434 199 R N -1.354 119.221 120.500 0.125 0.000 2.115 199 R HA -0.196 4.144 4.340 0.000 0.000 0.226 199 R C 2.066 178.445 176.300 0.131 0.000 1.100 199 R CA 1.570 57.740 56.100 0.117 0.000 0.980 199 R CB -0.402 29.978 30.300 0.133 0.000 0.875 199 R HN 0.401 nan 8.270 nan 0.000 0.445 200 W N 1.139 122.479 121.300 0.067 0.000 2.358 200 W HA -0.187 4.473 4.660 0.000 0.000 0.303 200 W C 1.762 178.319 176.519 0.063 0.000 1.208 200 W CA 1.164 58.566 57.345 0.095 0.000 1.274 200 W CB -0.184 29.369 29.460 0.154 0.000 1.138 200 W HN -0.254 nan 8.180 nan 0.000 0.515 201 V N 1.039 121.071 119.914 0.197 0.000 2.332 201 V HA -0.354 3.766 4.120 0.000 0.000 0.248 201 V C 2.550 178.589 176.094 -0.090 0.000 1.055 201 V CA 2.091 64.425 62.300 0.057 0.000 1.038 201 V CB -1.074 30.851 31.823 0.170 0.000 0.651 201 V HN 0.217 nan 8.190 nan 0.000 0.450 202 Q N -0.049 119.726 119.800 -0.042 0.000 2.084 202 Q HA -0.197 4.143 4.340 0.000 0.000 0.202 202 Q C 1.908 177.833 176.000 -0.126 0.000 0.978 202 Q CA 1.658 57.433 55.803 -0.047 0.000 0.844 202 Q CB -0.484 28.247 28.738 -0.012 0.000 0.898 202 Q HN 0.673 nan 8.270 nan 0.000 0.426 203 D N -0.573 119.700 120.400 -0.211 0.000 2.349 203 D HA 0.014 4.654 4.640 0.000 0.000 0.215 203 D C 0.969 177.041 176.300 -0.380 0.000 1.016 203 D CA 0.339 54.182 54.000 -0.261 0.000 0.870 203 D CB 0.201 40.852 40.800 -0.250 0.000 0.917 203 D HN 0.284 nan 8.370 nan 0.000 0.524 204 N N -0.148 118.225 118.700 -0.545 0.000 2.272 204 N HA 0.003 4.744 4.740 0.000 0.000 0.228 204 N C 1.597 176.967 175.510 -0.234 0.000 1.206 204 N CA -0.237 52.471 53.050 -0.568 0.000 0.855 204 N CB 0.774 38.492 38.487 -1.282 0.000 1.248 204 N HN -0.041 nan 8.380 nan 0.000 0.476 205 I N 2.864 123.317 120.570 -0.195 0.000 2.381 205 I HA -0.204 3.967 4.170 0.000 0.000 0.255 205 I C 2.140 178.349 176.117 0.153 0.000 1.140 205 I CA 0.817 62.161 61.300 0.074 0.000 1.404 205 I CB -0.313 37.721 38.000 0.057 0.000 1.075 205 I HN 0.108 nan 8.210 nan 0.000 0.433 206 A N -1.250 121.588 122.820 0.030 0.000 2.015 206 A HA -0.147 4.173 4.320 0.000 0.000 0.219 206 A C 2.384 179.960 177.584 -0.013 0.000 1.163 206 A CA 1.748 53.793 52.037 0.013 0.000 0.646 206 A CB -0.802 18.179 19.000 -0.033 0.000 0.806 206 A HN 0.442 nan 8.150 nan 0.000 0.448 207 S N -1.019 114.635 115.700 -0.077 0.000 2.507 207 S HA 0.016 4.486 4.470 0.000 0.000 0.235 207 S C 0.485 174.829 174.600 -0.426 0.000 0.988 207 S CA 0.700 58.732 58.200 -0.281 0.000 0.944 207 S CB -0.376 62.554 63.200 -0.450 0.000 0.762 207 S HN 0.586 nan 8.310 nan 0.000 0.526 208 F N 0.446 120.372 119.950 -0.039 0.000 2.668 208 F HA 0.396 4.923 4.527 0.000 0.000 0.301 208 F C 1.546 177.382 175.800 0.061 0.000 1.106 208 F CA -0.197 57.807 58.000 0.007 0.000 1.289 208 F CB 0.170 39.173 39.000 0.006 0.000 1.006 208 F HN 0.184 nan 8.300 nan 0.000 0.535 209 G N 0.373 109.268 108.800 0.157 0.000 2.143 209 G HA2 -0.183 3.777 3.960 0.000 0.000 0.249 209 G HA3 -0.183 3.777 3.960 0.000 0.000 0.249 209 G C 0.566 175.540 174.900 0.123 0.000 0.981 209 G CA -0.162 45.015 45.100 0.128 0.000 0.665 209 G HN 0.759 nan 8.290 nan 0.000 0.528 210 G N -0.544 108.339 108.800 0.139 0.000 2.412 210 G HA2 0.504 4.465 3.960 0.000 0.000 0.318 210 G HA3 0.504 4.465 3.960 0.000 0.000 0.318 210 G C -0.323 174.614 174.900 0.062 0.000 1.146 210 G CA -0.108 45.058 45.100 0.109 0.000 0.882 210 G HN 0.533 nan 8.290 nan 0.000 0.501 211 N N 1.716 120.441 118.700 0.041 0.000 2.589 211 N HA 0.303 5.043 4.740 0.000 0.000 0.232 211 N C -1.117 174.398 175.510 0.008 0.000 1.015 211 N CA -2.446 50.608 53.050 0.006 0.000 0.931 211 N CB 1.809 40.284 38.487 -0.020 0.000 1.150 211 N HN 0.103 nan 8.380 nan 0.000 0.512 212 P HA -0.060 nan 4.420 nan 0.000 0.226 212 P C 0.878 178.217 177.300 0.064 0.000 1.146 212 P CA 0.792 63.919 63.100 0.045 0.000 0.773 212 P CB 0.115 31.822 31.700 0.011 0.000 0.772 213 G N -0.998 107.762 108.800 -0.066 0.000 2.985 213 G HA2 -0.011 3.949 3.960 0.000 0.000 0.209 213 G HA3 -0.011 3.949 3.960 0.000 0.000 0.209 213 G C 0.690 175.174 174.900 -0.693 0.000 1.165 213 G CA 0.150 45.083 45.100 -0.278 0.000 0.776 213 G HN 0.341 nan 8.290 nan 0.000 0.541 214 S N 0.336 115.844 115.700 -0.319 0.000 2.300 214 S HA 0.440 4.910 4.470 0.000 0.000 0.172 214 S C -0.636 174.007 174.600 0.071 0.000 1.484 214 S CA -0.405 57.658 58.200 -0.229 0.000 1.265 214 S CB 0.243 63.352 63.200 -0.152 0.000 1.313 214 S HN -0.061 nan 8.310 nan 0.000 0.387 215 V N 3.021 123.168 119.914 0.387 0.000 2.383 215 V HA 0.470 4.590 4.120 0.000 0.000 0.275 215 V C 0.357 176.615 176.094 0.273 0.000 1.036 215 V CA -0.179 62.300 62.300 0.298 0.000 0.889 215 V CB 1.506 33.495 31.823 0.276 0.000 0.985 215 V HN 0.589 nan 8.190 nan 0.000 0.459 216 T N 6.574 121.232 114.554 0.174 0.000 2.797 216 T HA 0.625 4.976 4.350 0.000 0.000 0.279 216 T C -0.172 174.651 174.700 0.205 0.000 0.991 216 T CA -0.207 61.984 62.100 0.152 0.000 0.979 216 T CB 1.082 69.965 68.868 0.025 0.000 0.943 216 T HN 0.625 nan 8.240 nan 0.000 0.444 217 I N 1.360 122.051 120.570 0.202 0.000 2.392 217 I HA 0.893 5.063 4.170 0.000 0.000 0.295 217 I C -1.107 175.228 176.117 0.363 0.000 0.985 217 I CA -1.086 60.335 61.300 0.201 0.000 1.221 217 I CB 1.216 39.130 38.000 -0.143 0.000 1.366 217 I HN 0.519 nan 8.210 nan 0.000 0.467 218 F N 2.928 122.915 119.950 0.062 0.000 2.615 218 F HA 0.961 5.488 4.527 0.000 0.000 0.312 218 F C -0.585 175.147 175.800 -0.113 0.000 1.119 218 F CA -1.499 56.570 58.000 0.115 0.000 0.979 218 F CB 1.119 40.321 39.000 0.335 0.000 1.266 218 F HN 0.809 nan 8.300 nan 0.000 0.444 219 G N 1.352 109.941 108.800 -0.350 0.000 2.692 219 G HA2 0.525 4.485 3.960 0.000 0.000 0.291 219 G HA3 0.525 4.485 3.960 0.000 0.000 0.291 219 G C -2.379 172.209 174.900 -0.520 0.000 1.423 219 G CA -0.784 43.703 45.100 -1.021 0.000 0.843 219 G HN 0.819 nan 8.290 nan 0.000 0.486 220 E N 0.455 120.308 120.200 -0.578 0.000 2.212 220 E HA 0.596 4.946 4.350 0.000 0.000 0.268 220 E C 0.705 177.286 176.600 -0.033 0.000 0.902 220 E CA 0.259 56.601 56.400 -0.098 0.000 0.779 220 E CB 1.983 31.745 29.700 0.102 0.000 1.172 220 E HN 0.754 nan 8.360 nan 0.000 0.409 221 S N 3.176 118.936 115.700 0.100 0.000 4.139 221 S HA -0.399 4.071 4.470 0.000 0.000 0.603 221 S C 1.489 176.195 174.600 0.176 0.000 1.897 221 S CA 2.195 60.568 58.200 0.288 0.000 4.241 221 S CB -1.619 61.842 63.200 0.434 0.000 0.221 221 S HN 0.959 nan 8.310 nan 0.000 0.488 222 A N 0.962 123.885 122.820 0.171 0.000 2.024 222 A HA 0.147 4.467 4.320 0.000 0.000 0.220 222 A C 2.390 179.963 177.584 -0.019 0.000 1.164 222 A CA 2.409 54.496 52.037 0.083 0.000 0.643 222 A CB -1.449 17.628 19.000 0.128 0.000 0.806 222 A HN 1.596 nan 8.150 nan 0.000 0.451 223 G N -1.117 107.625 108.800 -0.096 0.000 2.494 223 G HA2 0.187 4.147 3.960 0.000 0.000 0.216 223 G HA3 0.187 4.147 3.960 0.000 0.000 0.216 223 G C 1.367 176.112 174.900 -0.258 0.000 1.140 223 G CA 1.012 45.932 45.100 -0.300 0.000 0.801 223 G HN 0.635 nan 8.290 nan 0.000 0.536 224 G N 0.320 109.043 108.800 -0.128 0.000 2.403 224 G HA2 -0.100 3.861 3.960 0.000 0.000 0.216 224 G HA3 -0.100 3.861 3.960 0.000 0.000 0.216 224 G C 1.500 176.388 174.900 -0.020 0.000 1.154 224 G CA 0.978 46.053 45.100 -0.041 0.000 0.784 224 G HN 0.413 nan 8.290 nan 0.000 0.538 225 E N 0.952 121.140 120.200 -0.021 0.000 2.072 225 E HA -0.083 4.267 4.350 0.000 0.000 0.191 225 E C 2.549 179.101 176.600 -0.080 0.000 0.985 225 E CA 1.035 57.414 56.400 -0.034 0.000 0.801 225 E CB -0.183 29.500 29.700 -0.028 0.000 0.750 225 E HN 0.315 nan 8.360 nan 0.000 0.452 226 S N 0.266 115.908 115.700 -0.097 0.000 2.359 226 S HA -0.133 4.338 4.470 0.000 0.000 0.224 226 S C 2.125 176.586 174.600 -0.232 0.000 1.035 226 S CA 1.219 59.336 58.200 -0.139 0.000 1.018 226 S CB -0.241 62.832 63.200 -0.211 0.000 0.876 226 S HN 0.144 nan 8.310 nan 0.000 0.448 227 V N 1.140 120.923 119.914 -0.219 0.000 2.332 227 V HA -0.164 3.956 4.120 0.000 0.000 0.248 227 V C 2.558 178.506 176.094 -0.243 0.000 1.055 227 V CA 1.990 64.139 62.300 -0.252 0.000 1.038 227 V CB -0.816 30.923 31.823 -0.141 0.000 0.651 227 V HN 0.532 nan 8.190 nan 0.000 0.450 228 S N -0.585 115.048 115.700 -0.112 0.000 2.368 228 S HA -0.164 4.306 4.470 0.000 0.000 0.225 228 S C 1.974 176.489 174.600 -0.141 0.000 1.030 228 S CA 1.803 59.967 58.200 -0.060 0.000 0.999 228 S CB -0.160 63.069 63.200 0.049 0.000 0.844 228 S HN 0.337 nan 8.310 nan 0.000 0.459 229 V N 2.197 121.993 119.914 -0.197 0.000 2.261 229 V HA -0.147 3.973 4.120 0.000 0.000 0.246 229 V C 2.388 178.337 176.094 -0.241 0.000 1.047 229 V CA 1.882 64.025 62.300 -0.262 0.000 1.015 229 V CB -0.729 30.809 31.823 -0.476 0.000 0.642 229 V HN 0.483 nan 8.190 nan 0.000 0.446 230 L N -0.264 120.792 121.223 -0.278 0.000 2.187 230 L HA -0.173 4.167 4.340 0.000 0.000 0.213 230 L C 2.370 179.205 176.870 -0.058 0.000 1.100 230 L CA 1.015 55.718 54.840 -0.228 0.000 0.765 230 L CB -0.608 41.212 42.059 -0.398 0.000 0.904 230 L HN 0.231 nan 8.230 nan 0.000 0.437 231 V N -0.201 119.656 119.914 -0.095 0.000 2.667 231 V HA -0.212 3.909 4.120 0.000 0.000 0.252 231 V C 2.100 178.317 176.094 0.206 0.000 1.065 231 V CA 1.292 63.666 62.300 0.122 0.000 1.083 231 V CB -0.158 31.541 31.823 -0.206 0.000 0.692 231 V HN 0.391 nan 8.190 nan 0.000 0.468 232 L N -0.874 120.372 121.223 0.037 0.000 2.477 232 L HA 0.155 4.495 4.340 0.000 0.000 0.220 232 L C 1.307 178.062 176.870 -0.191 0.000 1.106 232 L CA 0.239 55.054 54.840 -0.043 0.000 0.851 232 L CB 0.043 42.050 42.059 -0.086 0.000 0.994 232 L HN 0.224 nan 8.230 nan 0.000 0.462 233 S N -0.032 115.610 115.700 -0.097 0.000 2.537 233 S HA 0.229 4.699 4.470 0.000 0.000 0.275 233 S C -1.645 172.921 174.600 -0.057 0.000 1.272 233 S CA -1.330 56.792 58.200 -0.131 0.000 1.050 233 S CB 1.280 64.430 63.200 -0.083 0.000 0.961 233 S HN -0.119 nan 8.310 nan 0.000 0.496 234 P HA 0.022 nan 4.420 nan 0.000 0.221 234 P C 1.216 178.594 177.300 0.130 0.000 1.150 234 P CA 0.754 63.867 63.100 0.020 0.000 0.800 234 P CB 0.087 31.735 31.700 -0.086 0.000 0.787 235 L N -0.954 120.307 121.223 0.063 0.000 2.083 235 L HA -0.113 4.228 4.340 0.000 0.000 0.209 235 L C 2.180 179.111 176.870 0.101 0.000 1.083 235 L CA 1.556 56.438 54.840 0.069 0.000 0.752 235 L CB -1.088 40.998 42.059 0.045 0.000 0.899 235 L HN -0.053 nan 8.230 nan 0.000 0.433 236 A N -0.507 122.400 122.820 0.144 0.000 2.238 236 A HA -0.031 4.289 4.320 0.000 0.000 0.208 236 A C 1.063 178.798 177.584 0.251 0.000 1.177 236 A CA -0.103 52.062 52.037 0.214 0.000 0.804 236 A CB -0.331 18.808 19.000 0.233 0.000 0.823 236 A HN 0.188 nan 8.150 nan 0.000 0.482 237 K N 1.256 121.759 120.400 0.171 0.000 2.447 237 K HA -0.013 4.307 4.320 0.000 0.000 0.281 237 K C -0.252 176.232 176.600 -0.193 0.000 1.031 237 K CA 0.317 56.589 56.287 -0.026 0.000 1.019 237 K CB -0.001 32.523 32.500 0.041 0.000 0.918 237 K HN 0.410 nan 8.250 nan 0.000 0.476 238 N N 2.429 120.868 118.700 -0.436 0.000 2.925 238 N HA -0.194 4.546 4.740 0.000 0.000 0.244 238 N C 0.127 175.468 175.510 -0.281 0.000 1.000 238 N CA 0.932 53.739 53.050 -0.404 0.000 0.895 238 N CB -1.131 37.191 38.487 -0.274 0.000 1.119 238 N HN 0.600 nan 8.380 nan 0.000 0.569 239 L N -0.767 120.342 121.223 -0.190 0.000 2.693 239 L HA 0.296 4.636 4.340 0.000 0.000 0.235 239 L C 0.161 177.057 176.870 0.044 0.000 1.127 239 L CA 0.094 54.933 54.840 -0.003 0.000 0.914 239 L CB 0.053 42.195 42.059 0.139 0.000 1.193 239 L HN 0.181 nan 8.230 nan 0.000 0.502 240 F N -4.114 115.600 119.950 -0.393 0.000 2.693 240 F HA 0.437 4.964 4.527 0.000 0.000 0.309 240 F C -0.066 175.344 175.800 -0.650 0.000 1.129 240 F CA -1.140 56.617 58.000 -0.404 0.000 0.948 240 F CB 0.796 39.710 39.000 -0.142 0.000 1.315 240 F HN -0.073 nan 8.300 nan 0.000 0.447 241 H N -0.668 118.412 119.070 0.017 0.000 3.233 241 H HA 0.556 5.112 4.556 0.000 0.000 0.263 241 H C -0.672 174.636 175.328 -0.033 0.000 1.168 241 H CA -0.503 55.494 56.048 -0.085 0.000 1.159 241 H CB 0.625 30.340 29.762 -0.079 0.000 1.593 241 H HN 0.504 nan 8.280 nan 0.000 0.580 242 R N 0.240 120.853 120.500 0.188 0.000 2.664 242 R HA 0.763 5.103 4.340 0.000 0.000 0.266 242 R C -1.639 174.843 176.300 0.303 0.000 1.046 242 R CA -0.749 55.415 56.100 0.106 0.000 0.885 242 R CB 2.044 32.188 30.300 -0.261 0.000 1.254 242 R HN 0.137 nan 8.270 nan 0.000 0.465 243 A N 2.303 125.346 122.820 0.371 0.000 2.486 243 A HA 0.796 5.116 4.320 0.000 0.000 0.300 243 A C -1.218 176.638 177.584 0.453 0.000 1.048 243 A CA -0.656 51.550 52.037 0.280 0.000 0.696 243 A CB 1.275 20.245 19.000 -0.050 0.000 1.278 243 A HN 0.584 nan 8.150 nan 0.000 0.405 244 I N 1.360 122.137 120.570 0.344 0.000 2.447 244 I HA 0.365 4.535 4.170 0.000 0.000 0.287 244 I C -0.256 176.031 176.117 0.282 0.000 1.023 244 I CA -0.341 61.102 61.300 0.238 0.000 1.083 244 I CB 2.353 40.418 38.000 0.109 0.000 1.245 244 I HN 0.484 nan 8.210 nan 0.000 0.434 245 S N 5.152 120.980 115.700 0.213 0.000 2.498 245 S HA 0.357 4.827 4.470 0.000 0.000 0.324 245 S C -0.528 174.156 174.600 0.140 0.000 1.071 245 S CA -0.663 57.632 58.200 0.158 0.000 1.113 245 S CB 0.879 64.156 63.200 0.129 0.000 0.976 245 S HN 0.484 nan 8.310 nan 0.000 0.462 246 E N 1.775 122.100 120.200 0.208 0.000 2.081 246 E HA 0.368 4.718 4.350 0.000 0.000 0.276 246 E C -0.409 176.282 176.600 0.151 0.000 0.950 246 E CA -0.567 55.992 56.400 0.265 0.000 0.776 246 E CB 1.007 30.951 29.700 0.406 0.000 1.094 246 E HN 0.601 nan 8.360 nan 0.000 0.402 247 S N 2.040 117.808 115.700 0.114 0.000 3.697 247 S HA -0.118 4.352 4.470 0.000 0.000 0.388 247 S C 0.045 174.884 174.600 0.398 0.000 0.941 247 S CA 0.512 58.812 58.200 0.167 0.000 1.247 247 S CB -1.152 62.058 63.200 0.017 0.000 0.904 247 S HN 0.972 nan 8.310 nan 0.000 0.518 248 G N -0.937 108.049 108.800 0.310 0.000 2.146 248 G HA2 0.501 4.461 3.960 0.000 0.000 0.261 248 G HA3 0.501 4.461 3.960 0.000 0.000 0.261 248 G C -0.802 174.150 174.900 0.086 0.000 1.745 248 G CA 0.108 45.350 45.100 0.237 0.000 0.905 248 G HN 1.535 nan 8.290 nan 0.000 0.746 249 V N -0.677 119.250 119.914 0.022 0.000 3.156 249 V HA 0.944 5.065 4.120 0.000 0.000 0.310 249 V C 1.267 177.336 176.094 -0.040 0.000 1.234 249 V CA -0.067 62.236 62.300 0.004 0.000 1.065 249 V CB 1.266 33.083 31.823 -0.010 0.000 1.088 249 V HN 2.150 nan 8.190 nan 0.000 0.451 250 A N -0.445 122.353 122.820 -0.036 0.000 2.239 250 A HA 0.280 4.600 4.320 0.000 0.000 0.209 250 A C 1.431 178.960 177.584 -0.091 0.000 1.171 250 A CA 1.143 53.138 52.037 -0.071 0.000 0.768 250 A CB -0.779 18.180 19.000 -0.067 0.000 0.790 250 A HN 0.810 nan 8.150 nan 0.000 0.478 251 L N -0.700 120.466 121.223 -0.095 0.000 2.640 251 L HA 0.075 4.415 4.340 0.000 0.000 0.230 251 L C 0.226 176.988 176.870 -0.180 0.000 1.123 251 L CA -0.016 54.750 54.840 -0.123 0.000 0.900 251 L CB 0.154 42.155 42.059 -0.096 0.000 1.146 251 L HN 0.077 nan 8.230 nan 0.000 0.484 252 T N 0.358 114.796 114.554 -0.193 0.000 3.182 252 T HA 0.051 4.401 4.350 0.000 0.000 0.274 252 T C 1.405 175.952 174.700 -0.256 0.000 0.997 252 T CA 0.015 61.947 62.100 -0.280 0.000 1.082 252 T CB 0.547 69.240 68.868 -0.292 0.000 1.005 252 T HN 0.207 nan 8.240 nan 0.000 0.688 253 S N 2.928 118.464 115.700 -0.274 0.000 2.432 253 S HA -0.222 4.248 4.470 0.000 0.000 0.266 253 S C 2.342 176.806 174.600 -0.227 0.000 1.076 253 S CA 1.661 59.706 58.200 -0.258 0.000 1.320 253 S CB -0.925 62.088 63.200 -0.313 0.000 1.222 253 S HN 0.624 nan 8.310 nan 0.000 0.439 254 V N 1.840 121.611 119.914 -0.239 0.000 2.352 254 V HA -0.274 3.846 4.120 0.000 0.000 0.263 254 V C 1.772 177.769 176.094 -0.162 0.000 1.103 254 V CA 2.287 64.474 62.300 -0.188 0.000 1.099 254 V CB -0.487 31.232 31.823 -0.172 0.000 0.685 254 V HN 0.526 nan 8.190 nan 0.000 0.455 255 L N -0.998 120.123 121.223 -0.170 0.000 2.375 255 L HA 0.143 4.483 4.340 0.000 0.000 0.215 255 L C 0.658 177.427 176.870 -0.169 0.000 1.108 255 L CA 0.071 54.808 54.840 -0.171 0.000 0.830 255 L CB 0.245 42.215 42.059 -0.149 0.000 0.959 255 L HN 0.134 nan 8.230 nan 0.000 0.457 256 V N 1.977 121.800 119.914 -0.151 0.000 2.294 256 V HA 0.181 4.301 4.120 0.000 0.000 0.272 256 V C -0.031 175.988 176.094 -0.126 0.000 1.027 256 V CA -0.823 61.400 62.300 -0.130 0.000 0.823 256 V CB 0.958 32.706 31.823 -0.124 0.000 1.030 256 V HN 0.066 nan 8.190 nan 0.000 0.457 257 K N 5.175 125.507 120.400 -0.113 0.000 2.363 257 K HA 0.326 4.647 4.320 0.000 0.000 0.289 257 K C -0.114 176.433 176.600 -0.089 0.000 1.063 257 K CA 0.047 56.275 56.287 -0.098 0.000 0.967 257 K CB 0.642 33.088 32.500 -0.090 0.000 0.987 257 K HN 0.565 nan 8.250 nan 0.000 0.473 258 K N 0.891 121.239 120.400 -0.086 0.000 2.156 258 K HA 0.634 4.954 4.320 0.000 0.000 0.254 258 K C 0.337 176.902 176.600 -0.059 0.000 0.950 258 K CA -0.604 55.637 56.287 -0.076 0.000 0.849 258 K CB 1.760 34.209 32.500 -0.084 0.000 1.100 258 K HN 0.744 nan 8.250 nan 0.000 0.434 259 G N 1.654 110.423 108.800 -0.052 0.000 2.526 259 G HA2 -0.213 3.747 3.960 0.000 0.000 0.250 259 G HA3 -0.213 3.747 3.960 0.000 0.000 0.250 259 G C -1.438 173.438 174.900 -0.041 0.000 1.289 259 G CA -0.764 44.312 45.100 -0.039 0.000 0.947 259 G HN 0.674 nan 8.290 nan 0.000 0.517 260 D N 0.357 120.738 120.400 -0.031 0.000 2.344 260 D HA 0.365 5.005 4.640 0.000 0.000 0.253 260 D C 1.816 178.093 176.300 -0.039 0.000 1.255 260 D CA 0.609 54.588 54.000 -0.034 0.000 0.894 260 D CB 1.029 41.816 40.800 -0.022 0.000 1.067 260 D HN 1.278 nan 8.370 nan 0.000 0.492 261 V N 2.087 121.966 119.914 -0.058 0.000 3.573 261 V HA 0.041 4.161 4.120 0.000 0.000 0.270 261 V C 2.022 178.070 176.094 -0.075 0.000 1.221 261 V CA 0.496 62.753 62.300 -0.072 0.000 1.163 261 V CB -0.387 31.371 31.823 -0.108 0.000 0.847 261 V HN 0.247 nan 8.190 nan 0.000 0.468 262 K N 2.049 122.413 120.400 -0.059 0.000 2.044 262 K HA -0.051 4.269 4.320 0.000 0.000 0.210 262 K C -0.097 176.492 176.600 -0.019 0.000 1.049 262 K CA 2.283 58.542 56.287 -0.045 0.000 0.927 262 K CB -1.663 30.822 32.500 -0.024 0.000 0.713 262 K HN 0.447 nan 8.250 nan 0.000 0.443 263 P HA -0.161 nan 4.420 nan 0.000 0.215 263 P C 1.397 178.712 177.300 0.026 0.000 1.153 263 P CA 1.038 64.144 63.100 0.011 0.000 0.853 263 P CB 0.018 31.724 31.700 0.010 0.000 0.788 264 L N -1.091 120.145 121.223 0.021 0.000 2.083 264 L HA -0.189 4.151 4.340 0.000 0.000 0.209 264 L C 2.148 179.068 176.870 0.084 0.000 1.083 264 L CA 1.689 56.563 54.840 0.055 0.000 0.752 264 L CB -0.790 41.295 42.059 0.043 0.000 0.899 264 L HN -0.037 nan 8.230 nan 0.000 0.433 265 A N -0.262 122.572 122.820 0.024 0.000 1.877 265 A HA -0.259 4.061 4.320 0.000 0.000 0.216 265 A C 2.031 179.732 177.584 0.195 0.000 1.186 265 A CA 1.842 53.925 52.037 0.077 0.000 0.620 265 A CB -0.476 18.439 19.000 -0.143 0.000 0.822 265 A HN 0.532 nan 8.150 nan 0.000 0.443 266 E N -0.954 119.305 120.200 0.100 0.000 2.072 266 E HA -0.218 4.133 4.350 0.000 0.000 0.191 266 E C 2.270 178.915 176.600 0.075 0.000 0.985 266 E CA 1.149 57.599 56.400 0.083 0.000 0.801 266 E CB -0.143 29.586 29.700 0.049 0.000 0.750 266 E HN 0.769 nan 8.360 nan 0.000 0.452 267 Q N 0.559 120.402 119.800 0.073 0.000 2.124 267 Q HA -0.174 4.166 4.340 0.000 0.000 0.202 267 Q C 2.114 178.156 176.000 0.070 0.000 0.977 267 Q CA 1.105 56.944 55.803 0.059 0.000 0.850 267 Q CB 0.049 28.821 28.738 0.058 0.000 0.901 267 Q HN 0.317 nan 8.270 nan 0.000 0.429 268 I N 0.207 120.851 120.570 0.123 0.000 2.233 268 I HA -0.227 3.943 4.170 0.000 0.000 0.243 268 I C 2.438 178.580 176.117 0.042 0.000 1.093 268 I CA 0.802 62.175 61.300 0.122 0.000 1.380 268 I CB -0.439 37.701 38.000 0.233 0.000 1.067 268 I HN 0.227 nan 8.210 nan 0.000 0.413 269 A N 1.440 124.294 122.820 0.057 0.000 1.873 269 A HA -0.219 4.102 4.320 0.000 0.000 0.218 269 A C 2.302 179.880 177.584 -0.009 0.000 1.193 269 A CA 1.754 53.788 52.037 -0.005 0.000 0.629 269 A CB -0.967 18.057 19.000 0.041 0.000 0.826 269 A HN 0.380 nan 8.150 nan 0.000 0.447 270 I N -0.444 120.133 120.570 0.012 0.000 2.208 270 I HA -0.236 3.934 4.170 0.000 0.000 0.245 270 I C 2.411 178.523 176.117 -0.008 0.000 1.097 270 I CA 1.833 63.134 61.300 0.002 0.000 1.363 270 I CB -0.779 37.226 38.000 0.009 0.000 1.051 270 I HN 0.257 nan 8.210 nan 0.000 0.413 271 T N 0.613 115.162 114.554 -0.008 0.000 2.929 271 T HA -0.049 4.301 4.350 0.000 0.000 0.271 271 T C 1.643 176.327 174.700 -0.028 0.000 1.085 271 T CA 1.219 63.307 62.100 -0.020 0.000 1.125 271 T CB -0.141 68.713 68.868 -0.025 0.000 0.874 271 T HN 0.485 nan 8.240 nan 0.000 0.494 272 A N 0.364 123.163 122.820 -0.036 0.000 2.275 272 A HA 0.568 4.888 4.320 0.000 0.000 0.212 272 A C 1.590 179.149 177.584 -0.042 0.000 1.201 272 A CA 0.414 52.421 52.037 -0.050 0.000 0.843 272 A CB -0.421 18.527 19.000 -0.087 0.000 0.873 272 A HN 0.646 nan 8.150 nan 0.000 0.492 273 G N -1.210 107.572 108.800 -0.030 0.000 2.291 273 G HA2 -0.201 3.760 3.960 0.000 0.000 0.271 273 G HA3 -0.201 3.760 3.960 0.000 0.000 0.271 273 G C -0.080 174.806 174.900 -0.024 0.000 1.099 273 G CA 0.047 45.133 45.100 -0.023 0.000 0.919 273 G HN 0.611 nan 8.290 nan 0.000 0.496 274 c N -0.410 118.176 118.600 -0.023 0.000 2.614 274 c HA 0.731 5.301 4.570 0.000 0.000 0.320 274 c C 0.903 174.991 174.090 -0.003 0.000 1.200 274 c CA -0.991 55.327 56.329 -0.019 0.000 1.700 274 c CB 1.746 44.233 42.510 -0.038 0.000 2.275 274 c HN 0.638 nan 8.230 nan 0.000 0.492 275 K N 0.411 120.814 120.400 0.005 0.000 2.120 275 K HA 0.366 4.687 4.320 0.000 0.000 0.245 275 K C 0.810 177.420 176.600 0.018 0.000 1.024 275 K CA 0.229 56.523 56.287 0.011 0.000 0.906 275 K CB 0.503 33.011 32.500 0.014 0.000 1.051 275 K HN 0.871 nan 8.250 nan 0.000 0.491 276 T N -3.223 111.342 114.554 0.020 0.000 3.231 276 T HA 0.061 4.411 4.350 0.000 0.000 0.292 276 T C 1.018 175.732 174.700 0.023 0.000 1.001 276 T CA -0.358 61.759 62.100 0.028 0.000 0.920 276 T CB 0.079 68.965 68.868 0.030 0.000 1.140 276 T HN 0.496 nan 8.240 nan 0.000 0.525 277 T N 2.896 117.459 114.554 0.016 0.000 2.620 277 T HA -0.105 4.245 4.350 0.000 0.000 0.267 277 T C 1.183 175.890 174.700 0.011 0.000 1.044 277 T CA 2.185 64.291 62.100 0.010 0.000 1.161 277 T CB -0.627 68.243 68.868 0.003 0.000 0.862 277 T HN 0.881 nan 8.240 nan 0.000 0.438 278 T N -2.496 112.064 114.554 0.010 0.000 2.843 278 T HA 0.509 4.859 4.350 0.000 0.000 0.302 278 T C 0.899 175.611 174.700 0.019 0.000 1.232 278 T CA -0.328 61.778 62.100 0.010 0.000 1.009 278 T CB 1.777 70.635 68.868 -0.016 0.000 1.254 278 T HN -0.141 nan 8.240 nan 0.000 0.504 279 S N 0.506 116.235 115.700 0.049 0.000 2.370 279 S HA -0.047 4.423 4.470 0.000 0.000 0.226 279 S C 2.462 177.075 174.600 0.021 0.000 1.033 279 S CA 1.434 59.689 58.200 0.091 0.000 1.011 279 S CB -0.930 62.389 63.200 0.198 0.000 0.852 279 S HN 0.961 nan 8.310 nan 0.000 0.457 280 A N 0.968 123.664 122.820 -0.207 0.000 1.972 280 A HA -0.044 4.276 4.320 0.000 0.000 0.219 280 A C 2.293 179.823 177.584 -0.088 0.000 1.169 280 A CA 1.425 53.249 52.037 -0.354 0.000 0.635 280 A CB -0.736 17.863 19.000 -0.669 0.000 0.810 280 A HN 0.364 nan 8.150 nan 0.000 0.446 281 V N -0.050 119.835 119.914 -0.047 0.000 2.379 281 V HA -0.284 3.836 4.120 0.000 0.000 0.245 281 V C 2.606 178.740 176.094 0.067 0.000 1.044 281 V CA 2.029 64.343 62.300 0.022 0.000 1.036 281 V CB -0.747 31.080 31.823 0.008 0.000 0.664 281 V HN 0.568 nan 8.190 nan 0.000 0.453 282 M N -0.246 119.388 119.600 0.056 0.000 2.086 282 M HA -0.152 4.329 4.480 0.000 0.000 0.261 282 M C 2.239 178.549 176.300 0.017 0.000 1.067 282 M CA 1.690 57.023 55.300 0.055 0.000 1.116 282 M CB -0.658 32.016 32.600 0.123 0.000 1.348 282 M HN 0.260 nan 8.290 nan 0.000 0.407 283 V N -0.482 119.479 119.914 0.079 0.000 2.407 283 V HA -0.273 3.847 4.120 0.000 0.000 0.248 283 V C 2.262 178.406 176.094 0.083 0.000 1.055 283 V CA 2.310 64.647 62.300 0.063 0.000 1.049 283 V CB -1.223 30.703 31.823 0.171 0.000 0.662 283 V HN 0.480 nan 8.190 nan 0.000 0.455 284 H N -0.406 118.670 119.070 0.011 0.000 2.326 284 H HA -0.199 4.357 4.556 0.000 0.000 0.301 284 H C 2.383 177.709 175.328 -0.003 0.000 1.081 284 H CA 2.324 58.376 56.048 0.006 0.000 1.334 284 H CB -0.673 29.080 29.762 -0.015 0.000 1.385 284 H HN 0.420 nan 8.280 nan 0.000 0.504 285 c N 0.070 118.628 118.600 -0.071 0.000 2.432 285 c HA -0.082 4.488 4.570 0.000 0.000 0.277 285 c C 2.790 176.796 174.090 -0.140 0.000 1.249 285 c CA 1.082 57.338 56.329 -0.121 0.000 1.725 285 c CB -1.454 41.036 42.510 -0.033 0.000 2.028 285 c HN 0.663 nan 8.230 nan 0.000 0.477 286 L N 0.223 121.369 121.223 -0.128 0.000 2.201 286 L HA -0.066 4.274 4.340 0.000 0.000 0.212 286 L C 2.908 179.775 176.870 -0.005 0.000 1.105 286 L CA 1.176 55.942 54.840 -0.123 0.000 0.775 286 L CB -0.627 41.239 42.059 -0.321 0.000 0.913 286 L HN 0.356 nan 8.230 nan 0.000 0.440 287 R N -0.433 120.063 120.500 -0.006 0.000 2.235 287 R HA -0.078 4.263 4.340 0.000 0.000 0.213 287 R C 1.951 178.172 176.300 -0.132 0.000 1.059 287 R CA 0.574 56.644 56.100 -0.051 0.000 0.997 287 R CB 0.058 30.334 30.300 -0.040 0.000 0.884 287 R HN 0.437 nan 8.270 nan 0.000 0.462 288 Q N 0.475 120.170 119.800 -0.174 0.000 2.354 288 Q HA 0.062 4.402 4.340 0.000 0.000 0.203 288 Q C 0.309 176.251 176.000 -0.096 0.000 0.933 288 Q CA 0.604 56.313 55.803 -0.157 0.000 0.901 288 Q CB 0.196 28.816 28.738 -0.196 0.000 1.007 288 Q HN 0.021 nan 8.270 nan 0.000 0.495 289 K N 2.299 122.646 120.400 -0.088 0.000 2.380 289 K HA 0.073 4.393 4.320 0.000 0.000 0.267 289 K C 0.654 177.234 176.600 -0.033 0.000 0.990 289 K CA 0.154 56.405 56.287 -0.061 0.000 0.946 289 K CB 0.242 32.696 32.500 -0.076 0.000 0.937 289 K HN 0.217 nan 8.250 nan 0.000 0.491 290 T N -2.581 111.970 114.554 -0.006 0.000 2.882 290 T HA 0.059 4.409 4.350 0.000 0.000 0.287 290 T C 1.331 176.083 174.700 0.087 0.000 1.014 290 T CA -0.573 61.542 62.100 0.026 0.000 1.049 290 T CB 1.186 70.066 68.868 0.021 0.000 1.001 290 T HN 0.644 nan 8.240 nan 0.000 0.525 291 E N 0.293 120.576 120.200 0.139 0.000 2.097 291 E HA -0.297 4.053 4.350 0.000 0.000 0.196 291 E C 1.780 178.549 176.600 0.282 0.000 1.000 291 E CA 1.742 58.318 56.400 0.293 0.000 0.804 291 E CB -0.156 29.639 29.700 0.157 0.000 0.740 291 E HN 0.792 nan 8.360 nan 0.000 0.454 292 E N 0.993 121.278 120.200 0.142 0.000 2.077 292 E HA -0.204 4.146 4.350 0.000 0.000 0.193 292 E C 1.789 178.450 176.600 0.103 0.000 0.989 292 E CA 1.894 58.361 56.400 0.111 0.000 0.800 292 E CB -0.110 29.625 29.700 0.058 0.000 0.746 292 E HN 0.450 nan 8.360 nan 0.000 0.452 293 E N 0.099 120.341 120.200 0.069 0.000 2.077 293 E HA -0.166 4.185 4.350 0.000 0.000 0.193 293 E C 2.254 178.869 176.600 0.024 0.000 0.989 293 E CA 1.163 57.583 56.400 0.032 0.000 0.800 293 E CB -0.211 29.490 29.700 0.002 0.000 0.746 293 E HN 0.337 nan 8.360 nan 0.000 0.452 294 L N 0.581 121.820 121.223 0.027 0.000 2.217 294 L HA -0.126 4.214 4.340 0.000 0.000 0.211 294 L C 2.491 179.387 176.870 0.044 0.000 1.107 294 L CA 0.190 54.969 54.840 -0.103 0.000 0.783 294 L CB -0.223 41.598 42.059 -0.398 0.000 0.919 294 L HN 0.171 nan 8.230 nan 0.000 0.442 295 L N -0.080 121.318 121.223 0.292 0.000 2.109 295 L HA -0.145 4.196 4.340 0.000 0.000 0.207 295 L C 2.356 179.334 176.870 0.180 0.000 1.086 295 L CA 1.710 56.767 54.840 0.362 0.000 0.760 295 L CB -0.508 41.731 42.059 0.300 0.000 0.910 295 L HN 0.190 nan 8.230 nan 0.000 0.437 296 E N -1.024 119.241 120.200 0.108 0.000 2.106 296 E HA -0.173 4.177 4.350 0.000 0.000 0.192 296 E C 1.888 178.509 176.600 0.034 0.000 0.984 296 E CA 1.659 58.093 56.400 0.058 0.000 0.806 296 E CB -0.161 29.559 29.700 0.035 0.000 0.750 296 E HN 0.550 nan 8.360 nan 0.000 0.458 297 T N 0.737 115.306 114.554 0.024 0.000 2.746 297 T HA -0.129 4.221 4.350 0.000 0.000 0.267 297 T C 2.043 176.753 174.700 0.017 0.000 1.039 297 T CA 1.670 63.769 62.100 -0.001 0.000 1.142 297 T CB -0.440 68.413 68.868 -0.024 0.000 0.866 297 T HN 0.164 nan 8.240 nan 0.000 0.444 298 T N 2.754 117.371 114.554 0.105 0.000 2.665 298 T HA -0.038 4.312 4.350 0.000 0.000 0.268 298 T C 1.974 176.722 174.700 0.080 0.000 1.035 298 T CA 1.091 63.332 62.100 0.235 0.000 1.151 298 T CB -0.561 68.520 68.868 0.354 0.000 0.862 298 T HN 0.274 nan 8.240 nan 0.000 0.438 299 L N 0.277 121.541 121.223 0.068 0.000 2.141 299 L HA -0.065 4.275 4.340 0.000 0.000 0.209 299 L C 2.636 179.470 176.870 -0.060 0.000 1.094 299 L CA 1.275 56.126 54.840 0.018 0.000 0.763 299 L CB -0.489 41.593 42.059 0.037 0.000 0.908 299 L HN 0.230 nan 8.230 nan 0.000 0.437 300 K N -0.430 119.925 120.400 -0.074 0.000 2.097 300 K HA -0.084 4.236 4.320 0.000 0.000 0.205 300 K C 2.111 178.593 176.600 -0.197 0.000 1.050 300 K CA 1.020 57.246 56.287 -0.102 0.000 0.938 300 K CB -0.055 32.401 32.500 -0.074 0.000 0.718 300 K HN 0.203 nan 8.250 nan 0.000 0.442 301 M N 0.972 120.366 119.600 -0.343 0.000 2.374 301 M HA -0.068 4.412 4.480 0.000 0.000 0.264 301 M C 0.022 175.915 176.300 -0.677 0.000 1.067 301 M CA 1.067 55.973 55.300 -0.657 0.000 1.103 301 M CB -0.684 31.121 32.600 -1.325 0.000 1.402 301 M HN 0.048 nan 8.290 nan 0.000 0.444 302 K N 0.177 120.308 120.400 -0.448 0.000 4.007 302 K HA -0.202 4.119 4.320 0.000 0.000 0.279 302 K C 0.081 176.575 176.600 -0.177 0.000 0.919 302 K CA 0.011 56.163 56.287 -0.225 0.000 0.800 302 K CB -2.027 30.392 32.500 -0.134 0.000 1.572 302 K HN 0.256 nan 8.250 nan 0.000 0.443 303 F N -0.446 119.528 119.950 0.039 0.000 2.780 303 F HA -0.017 4.511 4.527 0.000 0.000 0.299 303 F C 1.944 177.768 175.800 0.041 0.000 1.146 303 F CA 0.286 58.311 58.000 0.042 0.000 1.428 303 F CB 0.128 39.164 39.000 0.059 0.000 1.115 303 F HN 0.353 nan 8.300 nan 0.000 0.583 304 L N -1.711 119.643 121.223 0.218 0.000 2.575 304 L HA 0.357 4.697 4.340 0.000 0.000 0.228 304 L C 0.771 177.707 176.870 0.109 0.000 1.075 304 L CA 0.470 55.401 54.840 0.151 0.000 0.867 304 L CB 0.052 42.184 42.059 0.122 0.000 1.097 304 L HN -0.254 nan 8.230 nan 0.000 0.485 305 S N 0.432 116.182 115.700 0.084 0.000 2.610 305 S HA 0.448 4.919 4.470 0.000 0.000 0.273 305 S C -0.569 174.059 174.600 0.047 0.000 1.274 305 S CA -0.474 57.760 58.200 0.056 0.000 1.023 305 S CB 1.415 64.629 63.200 0.024 0.000 0.962 305 S HN 0.210 nan 8.310 nan 0.000 0.523 306 L N 2.360 123.598 121.223 0.026 0.000 2.326 306 L HA 0.415 4.755 4.340 0.000 0.000 0.278 306 L C -0.307 176.528 176.870 -0.059 0.000 1.092 306 L CA -0.193 54.633 54.840 -0.024 0.000 0.810 306 L CB 0.772 42.752 42.059 -0.132 0.000 1.153 306 L HN 0.475 nan 8.230 nan 0.000 0.439 307 D N 3.488 123.854 120.400 -0.057 0.000 2.277 307 D HA 0.191 4.831 4.640 0.000 0.000 0.249 307 D C 0.751 177.005 176.300 -0.077 0.000 1.134 307 D CA 0.067 54.031 54.000 -0.060 0.000 0.863 307 D CB 0.987 41.756 40.800 -0.052 0.000 1.143 307 D HN 0.593 nan 8.370 nan 0.000 0.458 308 L N 2.218 123.402 121.223 -0.065 0.000 2.130 308 L HA 0.012 4.352 4.340 0.000 0.000 0.200 308 L C 1.248 178.098 176.870 -0.034 0.000 1.075 308 L CA 0.419 55.224 54.840 -0.058 0.000 0.768 308 L CB -0.341 41.689 42.059 -0.048 0.000 0.933 308 L HN 0.498 nan 8.230 nan 0.000 0.451 309 Q N 0.632 120.417 119.800 -0.025 0.000 2.226 309 Q HA 0.582 4.922 4.340 0.000 0.000 0.256 309 Q C 0.003 175.994 176.000 -0.015 0.000 0.962 309 Q CA 0.162 55.959 55.803 -0.010 0.000 0.887 309 Q CB 2.470 31.205 28.738 -0.005 0.000 1.282 309 Q HN 0.258 nan 8.270 nan 0.000 0.449 310 G N 1.221 110.020 108.800 -0.001 0.000 2.337 310 G HA2 -0.145 3.815 3.960 0.000 0.000 0.197 310 G HA3 -0.145 3.815 3.960 0.000 0.000 0.197 310 G C -1.686 173.213 174.900 -0.002 0.000 1.238 310 G CA -0.261 44.837 45.100 -0.005 0.000 1.119 310 G HN 0.779 nan 8.290 nan 0.000 0.514 311 D N 0.905 121.292 120.400 -0.022 0.000 2.381 311 D HA 0.536 5.176 4.640 0.000 0.000 0.235 311 D C -1.414 174.804 176.300 -0.136 0.000 1.068 311 D CA -1.706 52.273 54.000 -0.036 0.000 0.832 311 D CB 2.145 42.940 40.800 -0.008 0.000 1.101 311 D HN -0.038 nan 8.370 nan 0.000 0.515 312 P HA -0.065 nan 4.420 nan 0.000 0.218 312 P C 0.948 178.049 177.300 -0.330 0.000 1.148 312 P CA 0.936 63.771 63.100 -0.440 0.000 0.822 312 P CB 0.274 31.368 31.700 -1.009 0.000 0.784 313 R N -0.444 119.801 120.500 -0.424 0.000 2.339 313 R HA -0.030 4.310 4.340 0.000 0.000 0.199 313 R C 1.583 177.848 176.300 -0.057 0.000 1.018 313 R CA 0.815 56.742 56.100 -0.289 0.000 1.036 313 R CB -0.277 29.826 30.300 -0.330 0.000 0.899 313 R HN 0.415 nan 8.270 nan 0.000 0.473 314 E N -0.323 119.842 120.200 -0.059 0.000 2.372 314 E HA 0.094 4.445 4.350 0.000 0.000 0.201 314 E C -0.148 176.451 176.600 -0.002 0.000 0.938 314 E CA -0.096 56.294 56.400 -0.017 0.000 0.944 314 E CB 0.591 30.278 29.700 -0.021 0.000 0.937 314 E HN 0.001 nan 8.360 nan 0.000 0.495 315 S N 2.625 118.315 115.700 -0.018 0.000 2.589 315 S HA -0.015 4.455 4.470 0.000 0.000 0.306 315 S C 0.051 174.672 174.600 0.035 0.000 1.221 315 S CA 0.115 58.313 58.200 -0.003 0.000 1.159 315 S CB 0.143 63.326 63.200 -0.028 0.000 0.990 315 S HN 0.125 nan 8.310 nan 0.000 0.514 316 Q N 5.580 125.419 119.800 0.064 0.000 2.323 316 Q HA 0.218 4.558 4.340 0.000 0.000 0.257 316 Q C -1.205 174.903 176.000 0.180 0.000 1.022 316 Q CA -1.952 53.920 55.803 0.115 0.000 0.919 316 Q CB 0.823 29.660 28.738 0.165 0.000 1.220 316 Q HN 0.293 nan 8.270 nan 0.000 0.427 317 P HA -0.122 nan 4.420 nan 0.000 0.215 317 P C -0.353 177.066 177.300 0.198 0.000 1.157 317 P CA 1.198 64.377 63.100 0.132 0.000 0.868 317 P CB 0.217 31.940 31.700 0.039 0.000 0.788 318 L N -5.384 115.876 121.223 0.062 0.000 3.064 318 L HA 0.438 4.778 4.340 0.000 0.000 0.282 318 L C -1.206 175.506 176.870 -0.263 0.000 1.045 318 L CA -1.252 53.465 54.840 -0.206 0.000 0.986 318 L CB 0.202 42.142 42.059 -0.197 0.000 1.571 318 L HN -0.326 nan 8.230 nan 0.000 0.377 319 L N 1.270 122.253 121.223 -0.399 0.000 2.287 319 L HA 0.789 5.129 4.340 0.000 0.000 0.280 319 L C 0.640 177.345 176.870 -0.275 0.000 1.055 319 L CA -0.175 54.534 54.840 -0.218 0.000 0.863 319 L CB 0.231 42.221 42.059 -0.116 0.000 1.245 319 L HN 0.920 nan 8.230 nan 0.000 0.432 320 G N 1.719 110.357 108.800 -0.271 0.000 2.641 320 G HA2 0.387 4.347 3.960 0.000 0.000 0.239 320 G HA3 0.387 4.347 3.960 0.000 0.000 0.239 320 G C -0.225 174.484 174.900 -0.317 0.000 1.402 320 G CA -0.389 44.458 45.100 -0.422 0.000 1.046 320 G HN 0.361 nan 8.290 nan 0.000 0.565 321 T N 0.199 114.622 114.554 -0.219 0.000 2.919 321 T HA 0.420 4.770 4.350 0.000 0.000 0.302 321 T C 0.481 175.166 174.700 -0.024 0.000 1.031 321 T CA 0.062 62.178 62.100 0.026 0.000 1.127 321 T CB 1.079 70.017 68.868 0.117 0.000 0.952 321 T HN 0.828 nan 8.240 nan 0.000 0.540 322 V N 0.007 119.916 119.914 -0.008 0.000 3.155 322 V HA 0.626 4.746 4.120 0.000 0.000 0.313 322 V C -0.579 175.470 176.094 -0.074 0.000 1.162 322 V CA -1.283 60.979 62.300 -0.064 0.000 1.048 322 V CB 1.706 33.475 31.823 -0.091 0.000 1.092 322 V HN 0.605 nan 8.190 nan 0.000 0.447 323 I N 3.210 123.729 120.570 -0.086 0.000 2.257 323 I HA 0.266 4.436 4.170 0.000 0.000 0.290 323 I C 0.838 176.900 176.117 -0.092 0.000 1.137 323 I CA -0.081 61.166 61.300 -0.087 0.000 1.255 323 I CB -0.166 37.786 38.000 -0.081 0.000 1.485 323 I HN 0.947 nan 8.210 nan 0.000 0.534 324 D N 3.342 123.680 120.400 -0.104 0.000 2.269 324 D HA -0.066 4.574 4.640 0.000 0.000 0.208 324 D C 1.486 177.734 176.300 -0.086 0.000 0.963 324 D CA 1.124 55.056 54.000 -0.113 0.000 0.864 324 D CB 0.253 40.961 40.800 -0.152 0.000 0.936 324 D HN 0.643 nan 8.370 nan 0.000 0.505 325 G N -0.338 108.414 108.800 -0.080 0.000 2.175 325 G HA2 -0.276 3.684 3.960 0.000 0.000 0.244 325 G HA3 -0.276 3.684 3.960 0.000 0.000 0.244 325 G C 0.890 175.756 174.900 -0.058 0.000 0.982 325 G CA 0.634 45.695 45.100 -0.066 0.000 0.641 325 G HN 0.287 nan 8.290 nan 0.000 0.527 326 M N -1.498 118.065 119.600 -0.061 0.000 3.112 326 M HA 0.412 4.892 4.480 0.000 0.000 0.229 326 M C 2.230 178.499 176.300 -0.051 0.000 1.673 326 M CA 0.959 56.233 55.300 -0.042 0.000 1.303 326 M CB -0.932 31.652 32.600 -0.027 0.000 1.159 326 M HN 0.219 nan 8.290 nan 0.000 0.588 327 L N 0.658 121.842 121.223 -0.065 0.000 2.095 327 L HA 0.199 4.540 4.340 0.000 0.000 0.204 327 L C 0.182 176.985 176.870 -0.111 0.000 1.080 327 L CA 1.296 56.092 54.840 -0.074 0.000 0.759 327 L CB 0.325 42.343 42.059 -0.069 0.000 0.914 327 L HN 0.115 nan 8.230 nan 0.000 0.439 328 L N -0.105 121.050 121.223 -0.113 0.000 2.404 328 L HA 0.252 4.593 4.340 0.000 0.000 0.272 328 L C 0.311 177.114 176.870 -0.110 0.000 0.980 328 L CA -0.385 54.378 54.840 -0.128 0.000 0.836 328 L CB 1.955 43.938 42.059 -0.127 0.000 1.238 328 L HN 0.037 nan 8.230 nan 0.000 0.408 329 L N 2.427 123.580 121.223 -0.117 0.000 2.418 329 L HA 0.091 4.431 4.340 0.000 0.000 0.218 329 L C 0.646 177.465 176.870 -0.085 0.000 1.125 329 L CA 0.819 55.601 54.840 -0.096 0.000 0.835 329 L CB -0.411 41.588 42.059 -0.099 0.000 0.953 329 L HN 0.639 nan 8.230 nan 0.000 0.454 330 K N -1.620 118.725 120.400 -0.091 0.000 2.556 330 K HA 0.363 4.683 4.320 0.000 0.000 0.289 330 K C -0.533 176.018 176.600 -0.082 0.000 1.040 330 K CA -0.776 55.464 56.287 -0.078 0.000 0.894 330 K CB 0.578 33.038 32.500 -0.067 0.000 1.547 330 K HN -0.155 nan 8.250 nan 0.000 0.417 331 T N -1.771 112.739 114.554 -0.073 0.000 2.903 331 T HA 0.111 4.462 4.350 0.000 0.000 0.314 331 T C -1.904 172.750 174.700 -0.075 0.000 1.078 331 T CA -0.915 61.139 62.100 -0.077 0.000 1.114 331 T CB 0.434 69.259 68.868 -0.071 0.000 0.987 331 T HN 0.282 nan 8.240 nan 0.000 0.548 332 P HA -0.102 nan 4.420 nan 0.000 0.216 332 P C 1.306 178.577 177.300 -0.048 0.000 1.150 332 P CA 1.079 64.138 63.100 -0.069 0.000 0.843 332 P CB 0.068 31.722 31.700 -0.076 0.000 0.787 333 E N -0.026 120.143 120.200 -0.052 0.000 2.023 333 E HA -0.200 4.150 4.350 0.000 0.000 0.196 333 E C 1.981 178.565 176.600 -0.027 0.000 1.003 333 E CA 1.405 57.783 56.400 -0.037 0.000 0.809 333 E CB -0.995 28.677 29.700 -0.046 0.000 0.755 333 E HN 0.389 nan 8.360 nan 0.000 0.449 334 E N 0.277 120.456 120.200 -0.036 0.000 2.085 334 E HA -0.165 4.185 4.350 0.000 0.000 0.194 334 E C 2.159 178.740 176.600 -0.031 0.000 0.994 334 E CA 0.797 57.178 56.400 -0.031 0.000 0.801 334 E CB -0.170 29.506 29.700 -0.040 0.000 0.743 334 E HN 0.177 nan 8.360 nan 0.000 0.453 335 L N 0.987 122.183 121.223 -0.044 0.000 2.046 335 L HA -0.226 4.114 4.340 0.000 0.000 0.208 335 L C 2.692 179.553 176.870 -0.015 0.000 1.077 335 L CA 1.401 56.210 54.840 -0.052 0.000 0.747 335 L CB -0.427 41.581 42.059 -0.084 0.000 0.896 335 L HN 0.252 nan 8.230 nan 0.000 0.432 336 Q N -0.489 119.314 119.800 0.006 0.000 2.482 336 Q HA -0.024 4.316 4.340 0.000 0.000 0.209 336 Q C 1.827 177.852 176.000 0.041 0.000 0.961 336 Q CA 0.871 56.700 55.803 0.044 0.000 0.945 336 Q CB -0.076 28.697 28.738 0.058 0.000 1.012 336 Q HN 0.392 nan 8.270 nan 0.000 0.515 337 A N 1.288 124.121 122.820 0.021 0.000 2.067 337 A HA -0.068 4.252 4.320 0.000 0.000 0.217 337 A C 1.037 178.635 177.584 0.022 0.000 1.156 337 A CA 0.524 52.573 52.037 0.020 0.000 0.683 337 A CB -0.045 18.961 19.000 0.009 0.000 0.808 337 A HN 0.473 nan 8.150 nan 0.000 0.455 338 E N -0.268 119.946 120.200 0.024 0.000 2.222 338 E HA 0.428 4.778 4.350 0.000 0.000 0.272 338 E C -0.570 176.062 176.600 0.053 0.000 0.982 338 E CA -0.590 55.829 56.400 0.031 0.000 0.842 338 E CB 0.966 30.679 29.700 0.023 0.000 1.144 338 E HN 0.127 nan 8.360 nan 0.000 0.397 339 R N 2.136 122.666 120.500 0.050 0.000 2.565 339 R HA 0.220 4.561 4.340 0.000 0.000 0.347 339 R C 0.188 176.527 176.300 0.066 0.000 1.010 339 R CA -0.021 56.110 56.100 0.052 0.000 1.126 339 R CB -0.044 30.266 30.300 0.017 0.000 1.331 339 R HN 0.452 nan 8.270 nan 0.000 0.552 340 N N -0.028 118.725 118.700 0.088 0.000 2.501 340 N HA 0.003 4.743 4.740 0.000 0.000 0.195 340 N C -0.725 174.897 175.510 0.187 0.000 1.213 340 N CA 0.361 53.470 53.050 0.098 0.000 0.864 340 N CB 0.081 38.614 38.487 0.078 0.000 0.999 340 N HN 0.070 nan 8.380 nan 0.000 0.454 341 F N -0.118 119.835 119.950 0.005 0.000 2.575 341 F HA 0.351 4.878 4.527 0.000 0.000 0.330 341 F C 0.288 176.105 175.800 0.029 0.000 1.056 341 F CA -1.918 56.097 58.000 0.025 0.000 0.964 341 F CB 0.941 39.957 39.000 0.027 0.000 1.258 341 F HN 0.000 nan 8.300 nan 0.000 0.484 342 H N 1.137 119.628 119.070 -0.965 0.000 2.848 342 H HA 0.395 4.951 4.556 0.000 0.000 0.341 342 H C -0.520 174.515 175.328 -0.489 0.000 1.060 342 H CA 0.651 56.273 56.048 -0.710 0.000 1.444 342 H CB 0.541 29.798 29.762 -0.842 0.000 1.446 342 H HN 0.658 nan 8.280 nan 0.000 0.583 343 T N 2.660 116.750 114.554 -0.773 0.000 2.924 343 T HA 0.596 4.947 4.350 0.000 0.000 0.291 343 T C -0.354 174.088 174.700 -0.429 0.000 1.045 343 T CA -0.366 61.499 62.100 -0.391 0.000 1.015 343 T CB 1.367 70.099 68.868 -0.226 0.000 1.103 343 T HN 0.669 nan 8.240 nan 0.000 0.496 344 V N -2.598 117.280 119.914 -0.059 0.000 3.159 344 V HA 0.798 4.918 4.120 0.000 0.000 0.308 344 V C -3.313 172.923 176.094 0.238 0.000 1.190 344 V CA -3.286 59.017 62.300 0.005 0.000 1.037 344 V CB 1.454 33.264 31.823 -0.021 0.000 1.060 344 V HN 0.703 nan 8.190 nan 0.000 0.437 345 P HA 0.157 nan 4.420 nan 0.000 0.261 345 P C -1.493 176.141 177.300 0.558 0.000 1.183 345 P CA 0.708 64.021 63.100 0.355 0.000 0.761 345 P CB -0.205 31.560 31.700 0.108 0.000 0.785 346 Y N 3.730 124.251 120.300 0.369 0.000 2.391 346 Y HA 0.546 5.096 4.550 0.000 0.000 0.341 346 Y C -0.565 175.345 175.900 0.017 0.000 0.965 346 Y CA -1.540 56.606 58.100 0.078 0.000 1.067 346 Y CB 1.515 39.609 38.460 -0.610 0.000 1.199 346 Y HN 0.211 nan 8.280 nan 0.000 0.450 347 M N 7.573 127.147 119.600 -0.043 0.000 2.227 347 M HA 0.570 5.050 4.480 0.000 0.000 0.335 347 M C -2.199 173.847 176.300 -0.423 0.000 1.053 347 M CA -0.711 54.334 55.300 -0.425 0.000 0.973 347 M CB 1.061 33.092 32.600 -0.949 0.000 1.623 347 M HN 0.434 nan 8.290 nan 0.000 0.434 348 V N 4.360 124.012 119.914 -0.437 0.000 2.487 348 V HA 0.911 5.031 4.120 0.000 0.000 0.298 348 V C 0.196 176.037 176.094 -0.422 0.000 1.028 348 V CA -0.558 61.468 62.300 -0.456 0.000 0.860 348 V CB 1.533 32.990 31.823 -0.609 0.000 0.991 348 V HN 1.011 nan 8.190 nan 0.000 0.427 349 G N 3.721 112.206 108.800 -0.525 0.000 2.725 349 G HA2 0.917 4.877 3.960 0.000 0.000 0.288 349 G HA3 0.917 4.877 3.960 0.000 0.000 0.288 349 G C -1.294 173.248 174.900 -0.597 0.000 1.399 349 G CA -0.642 43.762 45.100 -1.159 0.000 0.859 349 G HN 0.984 nan 8.290 nan 0.000 0.479 350 I N -2.637 117.631 120.570 -0.504 0.000 3.195 350 I HA 0.634 4.804 4.170 0.000 0.000 0.313 350 I C -1.519 174.636 176.117 0.064 0.000 1.237 350 I CA -1.384 59.845 61.300 -0.118 0.000 0.963 350 I CB 2.467 40.430 38.000 -0.062 0.000 1.278 350 I HN 0.261 nan 8.210 nan 0.000 0.460 351 N N 1.843 120.619 118.700 0.127 0.000 2.443 351 N HA 0.313 5.053 4.740 0.000 0.000 0.293 351 N C 0.301 175.915 175.510 0.173 0.000 1.159 351 N CA -0.734 52.465 53.050 0.248 0.000 0.904 351 N CB 1.820 40.471 38.487 0.272 0.000 1.214 351 N HN 0.605 nan 8.380 nan 0.000 0.513 352 K N 0.712 121.226 120.400 0.190 0.000 2.034 352 K HA -0.141 4.179 4.320 0.000 0.000 0.214 352 K C -0.076 176.603 176.600 0.132 0.000 1.051 352 K CA 1.861 58.230 56.287 0.138 0.000 0.931 352 K CB 0.013 32.583 32.500 0.118 0.000 0.715 352 K HN 0.570 nan 8.250 nan 0.000 0.446 353 Q N 0.245 120.133 119.800 0.147 0.000 2.700 353 Q HA 0.122 4.462 4.340 0.000 0.000 0.249 353 Q C -0.139 175.951 176.000 0.151 0.000 1.033 353 Q CA -0.350 55.543 55.803 0.149 0.000 0.804 353 Q CB 1.551 30.377 28.738 0.148 0.000 1.164 353 Q HN 0.129 nan 8.270 nan 0.000 0.500 354 E N 0.555 120.820 120.200 0.107 0.000 2.110 354 E HA -0.159 4.191 4.350 0.000 0.000 0.193 354 E C 0.417 177.075 176.600 0.096 0.000 0.988 354 E CA 1.215 57.615 56.400 0.000 0.000 0.804 354 E CB 0.184 29.714 29.700 -0.284 0.000 0.745 354 E HN 0.506 nan 8.360 nan 0.000 0.458 355 F N 0.375 120.312 119.950 -0.021 0.000 2.750 355 F HA 0.241 4.769 4.527 0.001 0.000 0.297 355 F C 1.729 177.539 175.800 0.016 0.000 1.138 355 F CA -0.328 57.647 58.000 -0.042 0.000 1.346 355 F CB 0.467 39.419 39.000 -0.080 0.000 0.965 355 F HN -0.047 nan 8.300 nan 0.000 0.514 356 G N 0.531 109.405 108.800 0.124 0.000 2.459 356 G HA2 -0.305 3.656 3.960 0.000 0.000 0.217 356 G HA3 -0.305 3.656 3.960 0.000 0.000 0.217 356 G C 1.021 176.028 174.900 0.178 0.000 1.183 356 G CA 1.562 46.754 45.100 0.154 0.000 0.776 356 G HN 0.614 nan 8.290 nan 0.000 0.552 357 W N -1.197 120.064 121.300 -0.065 0.000 5.441 357 W HA 0.295 4.955 4.660 0.000 0.000 0.169 357 W C 1.824 178.275 176.519 -0.113 0.000 1.574 357 W CA 0.333 57.631 57.345 -0.079 0.000 2.017 357 W CB -0.683 28.771 29.460 -0.011 0.000 0.678 357 W HN 0.076 nan 8.180 nan 0.000 1.088 358 L N 2.273 123.347 121.223 -0.248 0.000 1.997 358 L HA -0.286 4.054 4.340 0.000 0.000 0.227 358 L C 2.125 178.673 176.870 -0.537 0.000 1.087 358 L CA 3.248 57.763 54.840 -0.543 0.000 0.797 358 L CB -1.222 40.858 42.059 0.035 0.000 0.902 358 L HN 0.274 nan 8.230 nan 0.000 0.441 359 I N -0.820 119.514 120.570 -0.393 0.000 2.113 359 I HA -0.223 3.947 4.170 0.000 0.000 0.238 359 I C -0.178 175.598 176.117 -0.568 0.000 1.070 359 I CA 1.580 62.629 61.300 -0.419 0.000 1.332 359 I CB -1.867 35.889 38.000 -0.406 0.000 1.044 359 I HN 0.261 nan 8.210 nan 0.000 0.402 360 P HA -0.182 nan 4.420 nan 0.000 0.216 360 P C 1.100 178.210 177.300 -0.316 0.000 1.150 360 P CA 1.246 63.901 63.100 -0.741 0.000 0.843 360 P CB -0.031 31.181 31.700 -0.813 0.000 0.787 364 M N 0.187 119.781 119.600 -0.009 0.000 2.561 364 M HA 0.155 4.635 4.480 0.000 0.000 0.238 364 M C 0.319 176.693 176.300 0.123 0.000 1.131 364 M CA 0.314 55.679 55.300 0.109 0.000 1.046 364 M CB 0.350 33.105 32.600 0.257 0.000 1.532 364 M HN 0.220 nan 8.290 nan 0.000 0.497 365 S N 0.578 116.325 115.700 0.078 0.000 3.667 365 S HA -0.166 4.305 4.470 0.000 0.000 0.405 365 S C -0.554 174.113 174.600 0.111 0.000 0.913 365 S CA 0.194 58.433 58.200 0.066 0.000 1.288 365 S CB -1.779 61.435 63.200 0.025 0.000 0.905 365 S HN 0.410 nan 8.310 nan 0.000 0.550 366 Y N 0.969 121.272 120.300 0.004 0.000 2.336 366 Y HA 0.300 4.850 4.550 0.000 0.000 0.331 366 Y C -1.087 174.850 175.900 0.061 0.000 1.211 366 Y CA -1.492 56.645 58.100 0.062 0.000 1.346 366 Y CB 0.349 38.869 38.460 0.101 0.000 1.271 366 Y HN 0.117 nan 8.280 nan 0.000 0.538 367 P HA -0.024 nan 4.420 nan 0.000 0.250 367 P C -0.204 177.164 177.300 0.112 0.000 1.239 367 P CA 0.903 64.044 63.100 0.068 0.000 0.756 367 P CB -0.098 31.606 31.700 0.008 0.000 1.013 368 L N -0.122 121.214 121.223 0.188 0.000 2.672 368 L HA 0.084 4.424 4.340 0.000 0.000 0.238 368 L C 1.283 178.229 176.870 0.127 0.000 1.392 368 L CA 0.079 55.019 54.840 0.167 0.000 1.238 368 L CB -0.714 41.482 42.059 0.229 0.000 1.548 368 L HN 0.081 nan 8.230 nan 0.000 0.423 369 S N -2.586 113.171 115.700 0.095 0.000 2.524 369 S HA 0.042 4.512 4.470 0.000 0.000 0.216 369 S C 1.440 176.079 174.600 0.065 0.000 0.987 369 S CA -0.191 58.057 58.200 0.080 0.000 0.909 369 S CB 0.238 63.476 63.200 0.064 0.000 0.781 369 S HN 0.410 nan 8.310 nan 0.000 0.521 370 E N 1.301 121.537 120.200 0.061 0.000 2.318 370 E HA 0.143 4.493 4.350 0.000 0.000 0.193 370 E C 1.600 178.232 176.600 0.053 0.000 0.998 370 E CA 0.703 57.132 56.400 0.048 0.000 0.859 370 E CB -0.196 29.527 29.700 0.038 0.000 0.812 370 E HN 0.685 nan 8.360 nan 0.000 0.492 371 G N 1.992 110.834 108.800 0.070 0.000 2.184 371 G HA2 -0.309 3.652 3.960 0.000 0.000 0.264 371 G HA3 -0.309 3.652 3.960 0.000 0.000 0.264 371 G C 0.238 175.179 174.900 0.069 0.000 0.975 371 G CA 0.973 46.118 45.100 0.074 0.000 0.642 371 G HN 0.409 nan 8.290 nan 0.000 0.536 372 Q N -1.559 118.276 119.800 0.059 0.000 2.418 372 Q HA 0.856 5.196 4.340 0.000 0.000 0.282 372 Q C -1.657 174.363 176.000 0.033 0.000 1.044 372 Q CA -1.298 54.535 55.803 0.050 0.000 0.813 372 Q CB 2.303 31.064 28.738 0.039 0.000 1.428 372 Q HN 0.567 nan 8.270 nan 0.000 0.402 373 L N 1.745 122.983 121.223 0.024 0.000 2.434 373 L HA 0.531 4.871 4.340 0.000 0.000 0.260 373 L C -1.727 175.140 176.870 -0.006 0.000 0.983 373 L CA -0.150 54.681 54.840 -0.016 0.000 0.820 373 L CB 2.317 44.330 42.059 -0.076 0.000 1.361 373 L HN 0.919 nan 8.230 nan 0.000 0.410 374 D N 2.119 122.508 120.400 -0.018 0.000 2.340 374 D HA 0.199 4.839 4.640 0.000 0.000 0.243 374 D C 0.000 176.299 176.300 -0.003 0.000 0.988 374 D CA -0.520 53.480 54.000 0.000 0.000 0.959 374 D CB 1.303 42.105 40.800 0.003 0.000 1.226 374 D HN 0.420 nan 8.370 nan 0.000 0.509 375 Q N 0.609 120.420 119.800 0.019 0.000 2.118 375 Q HA -0.217 4.123 4.340 0.000 0.000 0.211 375 Q C 1.779 177.794 176.000 0.024 0.000 0.998 375 Q CA 1.854 57.676 55.803 0.032 0.000 0.872 375 Q CB -0.226 28.533 28.738 0.035 0.000 0.925 375 Q HN 0.569 nan 8.270 nan 0.000 0.414 376 K N -0.536 119.872 120.400 0.013 0.000 2.025 376 K HA -0.050 4.270 4.320 0.000 0.000 0.207 376 K C 2.249 178.852 176.600 0.005 0.000 1.049 376 K CA 1.491 57.786 56.287 0.013 0.000 0.933 376 K CB -0.161 32.344 32.500 0.009 0.000 0.714 376 K HN 0.147 nan 8.250 nan 0.000 0.438 377 T N 1.298 115.842 114.554 -0.017 0.000 2.833 377 T HA -0.142 4.208 4.350 0.000 0.000 0.269 377 T C 1.941 176.584 174.700 -0.094 0.000 1.054 377 T CA 1.292 63.367 62.100 -0.041 0.000 1.135 377 T CB -0.219 68.616 68.868 -0.056 0.000 0.869 377 T HN 0.321 nan 8.240 nan 0.000 0.466 378 A N 1.606 124.349 122.820 -0.129 0.000 1.877 378 A HA -0.056 4.264 4.320 0.000 0.000 0.216 378 A C 2.332 179.926 177.584 0.017 0.000 1.186 378 A CA 1.521 53.414 52.037 -0.240 0.000 0.620 378 A CB -0.675 18.265 19.000 -0.100 0.000 0.822 378 A HN 0.454 nan 8.150 nan 0.000 0.443 379 M N -0.706 118.948 119.600 0.090 0.000 2.213 379 M HA -0.128 4.352 4.480 0.000 0.000 0.263 379 M C 2.499 178.915 176.300 0.192 0.000 1.062 379 M CA 1.620 57.015 55.300 0.159 0.000 1.105 379 M CB -0.342 32.316 32.600 0.098 0.000 1.385 379 M HN 0.543 nan 8.290 nan 0.000 0.417 380 S N 0.806 116.582 115.700 0.127 0.000 2.355 380 S HA -0.074 4.396 4.470 0.000 0.000 0.222 380 S C 1.799 176.521 174.600 0.203 0.000 1.031 380 S CA 1.038 59.332 58.200 0.157 0.000 0.993 380 S CB -0.102 63.145 63.200 0.079 0.000 0.859 380 S HN 0.410 nan 8.310 nan 0.000 0.453 381 L N 0.599 121.901 121.223 0.133 0.000 2.044 381 L HA 0.007 4.347 4.340 0.000 0.000 0.205 381 L C 2.416 179.527 176.870 0.402 0.000 1.075 381 L CA 0.852 55.804 54.840 0.188 0.000 0.747 381 L CB -0.433 41.654 42.059 0.046 0.000 0.903 381 L HN 0.350 nan 8.230 nan 0.000 0.435 382 L N -0.715 120.823 121.223 0.525 0.000 2.263 382 L HA -0.278 4.062 4.340 0.000 0.000 0.216 382 L C 2.034 179.178 176.870 0.457 0.000 1.111 382 L CA 1.750 56.913 54.840 0.540 0.000 0.773 382 L CB -0.576 41.800 42.059 0.529 0.000 0.906 382 L HN 0.377 nan 8.230 nan 0.000 0.439 383 W N 0.157 121.584 121.300 0.210 0.000 2.480 383 W HA -0.150 4.510 4.660 0.000 0.000 0.299 383 W C 1.949 178.570 176.519 0.171 0.000 1.187 383 W CA 0.677 58.127 57.345 0.175 0.000 1.347 383 W CB 0.103 29.627 29.460 0.106 0.000 1.121 383 W HN 0.021 nan 8.180 nan 0.000 0.533 384 K N 0.548 120.946 120.400 -0.004 0.000 2.504 384 K HA -0.040 4.280 4.320 0.000 0.000 0.195 384 K C 1.538 178.091 176.600 -0.077 0.000 1.036 384 K CA 0.929 57.118 56.287 -0.162 0.000 0.984 384 K CB -0.001 32.461 32.500 -0.064 0.000 0.788 384 K HN -0.080 nan 8.250 nan 0.000 0.488 385 S N 0.092 115.823 115.700 0.052 0.000 2.605 385 S HA 0.002 4.473 4.470 0.000 0.000 0.217 385 S C 0.949 175.564 174.600 0.025 0.000 0.958 385 S CA -0.356 57.906 58.200 0.103 0.000 0.919 385 S CB -0.173 63.160 63.200 0.223 0.000 0.780 385 S HN 0.323 nan 8.310 nan 0.000 0.507 386 Y N 4.106 124.299 120.300 -0.177 0.000 2.062 386 Y HA -0.189 4.361 4.550 0.000 0.000 0.276 386 Y C -0.876 174.936 175.900 -0.147 0.000 1.189 386 Y CA 1.965 59.938 58.100 -0.211 0.000 1.130 386 Y CB -1.198 36.967 38.460 -0.491 0.000 0.959 386 Y HN 0.245 nan 8.280 nan 0.000 0.499 387 P HA -0.149 nan 4.420 nan 0.000 0.231 387 P C 1.181 178.392 177.300 -0.148 0.000 1.158 387 P CA 1.562 64.598 63.100 -0.106 0.000 0.763 387 P CB -0.063 31.630 31.700 -0.011 0.000 0.805 388 L N -0.890 120.243 121.223 -0.150 0.000 2.433 388 L HA 0.040 4.380 4.340 0.000 0.000 0.200 388 L C 2.360 179.068 176.870 -0.270 0.000 1.059 388 L CA 0.606 55.348 54.840 -0.164 0.000 0.835 388 L CB -0.150 41.863 42.059 -0.076 0.000 1.076 388 L HN -0.187 nan 8.230 nan 0.000 0.481 389 V N -5.792 113.960 119.914 -0.271 0.000 3.661 389 V HA 0.106 4.226 4.120 0.000 0.000 0.271 389 V C 1.138 177.054 176.094 -0.297 0.000 1.315 389 V CA -0.499 61.633 62.300 -0.281 0.000 1.072 389 V CB -0.272 31.422 31.823 -0.216 0.000 0.830 389 V HN 0.488 nan 8.190 nan 0.000 0.443 390 C N 1.523 120.515 119.300 -0.513 0.000 4.028 390 C HA -0.177 4.283 4.460 0.000 0.000 0.300 390 C C 0.602 175.408 174.990 -0.307 0.000 1.399 390 C CA 0.135 58.650 59.018 -0.839 0.000 2.051 390 C CB -3.041 24.318 27.740 -0.634 0.000 1.318 390 C HN 0.658 nan 8.230 nan 0.000 0.696 391 I N 0.997 121.608 120.570 0.068 0.000 2.331 391 I HA 0.496 4.666 4.170 0.000 0.000 0.292 391 I C 1.012 177.530 176.117 0.668 0.000 0.998 391 I CA -0.037 61.540 61.300 0.461 0.000 1.267 391 I CB 1.064 39.334 38.000 0.450 0.000 1.386 391 I HN 0.473 nan 8.210 nan 0.000 0.476 392 A N 5.910 129.068 122.820 0.563 0.000 2.507 392 A HA 0.010 4.330 4.320 0.000 0.000 0.235 392 A C 1.348 179.138 177.584 0.344 0.000 1.070 392 A CA 0.018 52.345 52.037 0.482 0.000 0.768 392 A CB 0.165 19.338 19.000 0.288 0.000 1.011 392 A HN 0.915 nan 8.150 nan 0.000 0.502 393 K N 0.324 120.761 120.400 0.063 0.000 2.362 393 K HA -0.133 4.188 4.320 0.000 0.000 0.200 393 K C 1.628 178.118 176.600 -0.183 0.000 1.046 393 K CA 1.578 57.627 56.287 -0.398 0.000 0.952 393 K CB 0.006 31.775 32.500 -1.218 0.000 0.753 393 K HN 0.894 nan 8.250 nan 0.000 0.466 394 E N 0.279 120.442 120.200 -0.062 0.000 2.230 394 E HA -0.138 4.213 4.350 0.000 0.000 0.192 394 E C 1.681 178.289 176.600 0.013 0.000 0.987 394 E CA 0.573 56.953 56.400 -0.034 0.000 0.841 394 E CB -0.126 29.567 29.700 -0.011 0.000 0.783 394 E HN 0.303 nan 8.360 nan 0.000 0.481 395 L N 0.714 121.977 121.223 0.067 0.000 2.270 395 L HA -0.018 4.323 4.340 0.000 0.000 0.210 395 L C 2.449 179.379 176.870 0.099 0.000 1.104 395 L CA -0.038 54.848 54.840 0.075 0.000 0.804 395 L CB -0.361 41.765 42.059 0.112 0.000 0.937 395 L HN 0.080 nan 8.230 nan 0.000 0.450 396 I N 0.795 121.445 120.570 0.134 0.000 2.113 396 I HA -0.250 3.920 4.170 0.000 0.000 0.242 396 I C 0.082 176.273 176.117 0.124 0.000 1.057 396 I CA 2.253 63.652 61.300 0.165 0.000 1.314 396 I CB -2.462 35.628 38.000 0.150 0.000 1.022 396 I HN 0.190 nan 8.210 nan 0.000 0.408 397 P HA -0.193 nan 4.420 nan 0.000 0.213 397 P C 1.791 179.134 177.300 0.072 0.000 1.170 397 P CA 1.600 64.735 63.100 0.058 0.000 0.902 397 P CB -0.061 31.654 31.700 0.025 0.000 0.789 398 E N -0.687 119.553 120.200 0.067 0.000 2.058 398 E HA -0.223 4.127 4.350 0.000 0.000 0.194 398 E C 1.944 178.628 176.600 0.140 0.000 0.997 398 E CA 1.289 57.739 56.400 0.084 0.000 0.801 398 E CB -0.507 29.228 29.700 0.059 0.000 0.746 398 E HN 0.042 nan 8.360 nan 0.000 0.450 399 A N 0.325 123.232 122.820 0.146 0.000 1.851 399 A HA -0.197 4.123 4.320 0.000 0.000 0.216 399 A C 2.416 180.091 177.584 0.151 0.000 1.195 399 A CA 2.284 54.417 52.037 0.159 0.000 0.622 399 A CB -1.152 17.953 19.000 0.176 0.000 0.831 399 A HN 0.344 nan 8.150 nan 0.000 0.444 400 T N -0.396 114.261 114.554 0.171 0.000 2.759 400 T HA -0.156 4.194 4.350 0.000 0.000 0.269 400 T C 1.875 176.667 174.700 0.154 0.000 1.042 400 T CA 1.757 63.972 62.100 0.193 0.000 1.140 400 T CB -0.250 68.729 68.868 0.186 0.000 0.864 400 T HN 0.579 nan 8.240 nan 0.000 0.455 401 E N 1.462 121.724 120.200 0.103 0.000 2.077 401 E HA -0.108 4.242 4.350 0.000 0.000 0.193 401 E C 2.093 178.705 176.600 0.020 0.000 0.989 401 E CA 1.279 57.715 56.400 0.059 0.000 0.800 401 E CB -0.245 29.480 29.700 0.041 0.000 0.746 401 E HN 0.274 nan 8.360 nan 0.000 0.452 402 K N -1.172 119.212 120.400 -0.026 0.000 2.209 402 K HA -0.136 4.184 4.320 0.000 0.000 0.204 402 K C 1.459 177.968 176.600 -0.151 0.000 1.048 402 K CA 1.344 57.502 56.287 -0.215 0.000 0.940 402 K CB -0.306 31.785 32.500 -0.682 0.000 0.729 402 K HN 0.225 nan 8.250 nan 0.000 0.451 403 Y N -0.689 119.524 120.300 -0.144 0.000 2.382 403 Y HA 0.207 4.757 4.550 0.000 0.000 0.292 403 Y C 1.636 177.546 175.900 0.017 0.000 1.151 403 Y CA 0.629 58.700 58.100 -0.047 0.000 1.198 403 Y CB 0.120 38.606 38.460 0.045 0.000 1.195 403 Y HN -0.144 nan 8.280 nan 0.000 0.530 404 L N -1.144 120.215 121.223 0.227 0.000 2.418 404 L HA 0.130 4.470 4.340 0.000 0.000 0.218 404 L C 2.184 179.105 176.870 0.085 0.000 1.125 404 L CA 0.880 55.816 54.840 0.159 0.000 0.835 404 L CB -0.862 41.302 42.059 0.176 0.000 0.953 404 L HN 0.275 nan 8.230 nan 0.000 0.454 405 G N 0.361 109.196 108.800 0.059 0.000 2.625 405 G HA2 -0.088 3.872 3.960 0.000 0.000 0.214 405 G HA3 -0.088 3.872 3.960 0.000 0.000 0.214 405 G C 1.510 176.414 174.900 0.007 0.000 1.132 405 G CA 0.600 45.715 45.100 0.026 0.000 0.782 405 G HN 0.449 nan 8.290 nan 0.000 0.538 406 G N 0.222 109.024 108.800 0.002 0.000 2.459 406 G HA2 0.109 4.069 3.960 0.000 0.000 0.217 406 G HA3 0.109 4.069 3.960 0.000 0.000 0.217 406 G C 1.040 175.941 174.900 0.002 0.000 1.183 406 G CA 1.648 46.741 45.100 -0.012 0.000 0.776 406 G HN 0.753 nan 8.290 nan 0.000 0.552 407 T N -4.244 110.321 114.554 0.018 0.000 2.831 407 T HA 0.524 4.874 4.350 0.000 0.000 0.287 407 T C -0.094 174.621 174.700 0.025 0.000 1.070 407 T CA -0.388 61.723 62.100 0.019 0.000 1.010 407 T CB 2.096 70.977 68.868 0.022 0.000 1.264 407 T HN -0.096 nan 8.240 nan 0.000 0.532 408 D N -0.408 120.006 120.400 0.022 0.000 2.389 408 D HA 0.073 4.714 4.640 0.000 0.000 0.206 408 D C 0.001 176.317 176.300 0.026 0.000 1.055 408 D CA 0.059 54.073 54.000 0.023 0.000 0.856 408 D CB 0.197 41.007 40.800 0.017 0.000 0.957 408 D HN 0.593 nan 8.370 nan 0.000 0.509 409 D N 2.008 122.425 120.400 0.029 0.000 2.389 409 D HA -0.050 4.590 4.640 0.000 0.000 0.263 409 D C 1.378 177.702 176.300 0.040 0.000 1.255 409 D CA 0.321 54.340 54.000 0.031 0.000 0.914 409 D CB 1.145 41.964 40.800 0.032 0.000 1.116 409 D HN 0.072 nan 8.370 nan 0.000 0.502 410 T N 0.699 115.274 114.554 0.036 0.000 2.803 410 T HA -0.144 4.206 4.350 0.000 0.000 0.269 410 T C 2.029 176.760 174.700 0.051 0.000 1.052 410 T CA 0.678 62.802 62.100 0.039 0.000 1.136 410 T CB -0.170 68.716 68.868 0.030 0.000 0.864 410 T HN 0.269 nan 8.240 nan 0.000 0.467 411 V N 1.667 121.612 119.914 0.050 0.000 2.427 411 V HA -0.091 4.029 4.120 0.000 0.000 0.248 411 V C 2.668 178.809 176.094 0.077 0.000 1.051 411 V CA 1.499 63.836 62.300 0.061 0.000 1.048 411 V CB -0.525 31.328 31.823 0.050 0.000 0.666 411 V HN 0.508 nan 8.190 nan 0.000 0.456 412 K N -0.057 120.384 120.400 0.070 0.000 2.211 412 K HA -0.119 4.201 4.320 0.000 0.000 0.203 412 K C 2.169 178.835 176.600 0.110 0.000 1.050 412 K CA 0.972 57.307 56.287 0.080 0.000 0.945 412 K CB -0.125 32.411 32.500 0.061 0.000 0.732 412 K HN 0.424 nan 8.250 nan 0.000 0.451 413 K N 1.061 121.525 120.400 0.106 0.000 2.097 413 K HA -0.127 4.193 4.320 0.000 0.000 0.205 413 K C 2.121 178.835 176.600 0.189 0.000 1.050 413 K CA 0.907 57.275 56.287 0.136 0.000 0.938 413 K CB 0.036 32.593 32.500 0.095 0.000 0.718 413 K HN 0.067 nan 8.250 nan 0.000 0.442 414 K N 1.533 122.028 120.400 0.158 0.000 1.978 414 K HA -0.207 4.113 4.320 0.000 0.000 0.214 414 K C 1.348 178.114 176.600 0.277 0.000 1.049 414 K CA 2.094 58.502 56.287 0.203 0.000 0.939 414 K CB -0.106 32.483 32.500 0.150 0.000 0.721 414 K HN 0.007 nan 8.250 nan 0.000 0.441 415 D N 1.088 121.612 120.400 0.207 0.000 2.149 415 D HA -0.175 4.465 4.640 0.000 0.000 0.198 415 D C 2.086 178.523 176.300 0.229 0.000 0.990 415 D CA 1.021 55.141 54.000 0.200 0.000 0.839 415 D CB -0.202 40.685 40.800 0.144 0.000 0.948 415 D HN 0.285 nan 8.370 nan 0.000 0.460 416 L N -0.332 121.035 121.223 0.239 0.000 2.201 416 L HA -0.101 4.239 4.340 0.000 0.000 0.212 416 L C 2.225 179.314 176.870 0.365 0.000 1.105 416 L CA 0.320 55.330 54.840 0.282 0.000 0.775 416 L CB -0.213 41.992 42.059 0.242 0.000 0.913 416 L HN -0.048 nan 8.230 nan 0.000 0.440 417 F N 0.517 120.580 119.950 0.189 0.000 2.163 417 F HA -0.152 4.375 4.527 0.000 0.000 0.297 417 F C 2.085 177.967 175.800 0.137 0.000 1.094 417 F CA 1.352 59.443 58.000 0.153 0.000 1.290 417 F CB -0.120 38.972 39.000 0.154 0.000 1.017 417 F HN -0.129 nan 8.300 nan 0.000 0.483 418 L N -0.070 121.277 121.223 0.206 0.000 2.191 418 L HA -0.197 4.144 4.340 0.000 0.000 0.212 418 L C 1.919 178.846 176.870 0.095 0.000 1.103 418 L CA 1.220 56.159 54.840 0.166 0.000 0.769 418 L CB -0.754 41.471 42.059 0.276 0.000 0.908 418 L HN 0.132 nan 8.230 nan 0.000 0.438 419 D N -0.201 120.288 120.400 0.149 0.000 2.162 419 D HA -0.128 4.512 4.640 0.000 0.000 0.203 419 D C 2.190 178.571 176.300 0.136 0.000 0.967 419 D CA 0.542 54.662 54.000 0.200 0.000 0.840 419 D CB 0.041 41.022 40.800 0.301 0.000 0.972 419 D HN 0.122 nan 8.370 nan 0.000 0.482 420 L N 1.618 122.812 121.223 -0.049 0.000 1.956 420 L HA -0.193 4.148 4.340 0.000 0.000 0.216 420 L C 2.262 178.850 176.870 -0.471 0.000 1.073 420 L CA 1.568 56.066 54.840 -0.570 0.000 0.762 420 L CB -1.021 40.681 42.059 -0.596 0.000 0.889 420 L HN -0.009 nan 8.230 nan 0.000 0.433 421 I N 0.209 120.431 120.570 -0.580 0.000 2.127 421 I HA -0.314 3.856 4.170 0.000 0.000 0.241 421 I C 2.784 178.610 176.117 -0.485 0.000 1.075 421 I CA 1.428 62.301 61.300 -0.711 0.000 1.334 421 I CB -0.646 36.617 38.000 -1.228 0.000 1.040 421 I HN 0.356 nan 8.210 nan 0.000 0.405 422 A N 0.420 123.095 122.820 -0.242 0.000 1.958 422 A HA -0.281 4.039 4.320 0.000 0.000 0.221 422 A C 1.906 179.537 177.584 0.078 0.000 1.178 422 A CA 2.365 54.446 52.037 0.072 0.000 0.642 422 A CB -0.628 18.468 19.000 0.160 0.000 0.816 422 A HN 0.417 nan 8.150 nan 0.000 0.453 423 D N -0.695 119.685 120.400 -0.032 0.000 2.162 423 D HA -0.034 4.607 4.640 0.000 0.000 0.203 423 D C 2.059 178.187 176.300 -0.288 0.000 0.967 423 D CA 1.229 55.205 54.000 -0.041 0.000 0.840 423 D CB -0.281 40.604 40.800 0.141 0.000 0.972 423 D HN 0.248 nan 8.370 nan 0.000 0.482 424 V N 0.971 120.557 119.914 -0.546 0.000 2.427 424 V HA -0.176 3.945 4.120 0.000 0.000 0.248 424 V C 2.405 178.217 176.094 -0.469 0.000 1.051 424 V CA 1.207 63.095 62.300 -0.688 0.000 1.048 424 V CB -0.315 31.023 31.823 -0.807 0.000 0.666 424 V HN 0.206 nan 8.190 nan 0.000 0.456 425 M N -1.748 117.566 119.600 -0.478 0.000 2.287 425 M HA 0.075 4.555 4.480 0.000 0.000 0.266 425 M C 1.799 177.556 176.300 -0.905 0.000 1.079 425 M CA 1.952 56.813 55.300 -0.732 0.000 1.146 425 M CB -0.083 31.963 32.600 -0.925 0.000 1.374 425 M HN 0.377 nan 8.290 nan 0.000 0.435 426 F N -1.513 118.357 119.950 -0.133 0.000 2.421 426 F HA 0.362 4.889 4.527 0.001 0.000 0.270 426 F C 2.393 178.143 175.800 -0.084 0.000 0.894 426 F CA 0.176 58.129 58.000 -0.078 0.000 1.128 426 F CB -1.363 37.629 39.000 -0.014 0.000 1.011 426 F HN 0.029 nan 8.300 nan 0.000 0.788 427 G N 1.304 110.187 108.800 0.139 0.000 2.628 427 G HA2 -0.251 3.709 3.960 0.000 0.000 0.217 427 G HA3 -0.251 3.709 3.960 0.000 0.000 0.217 427 G C 1.689 176.595 174.900 0.010 0.000 1.240 427 G CA 2.151 47.285 45.100 0.057 0.000 0.792 427 G HN 0.176 nan 8.290 nan 0.000 0.593 428 V N 2.298 122.208 119.914 -0.007 0.000 2.295 428 V HA -0.105 4.015 4.120 0.000 0.000 0.246 428 V C 0.451 176.536 176.094 -0.015 0.000 1.049 428 V CA 2.307 64.617 62.300 0.017 0.000 1.024 428 V CB -1.265 30.578 31.823 0.033 0.000 0.648 428 V HN 0.300 nan 8.190 nan 0.000 0.447 429 P HA -0.138 nan 4.420 nan 0.000 0.214 429 P C 2.053 179.313 177.300 -0.067 0.000 1.163 429 P CA 2.044 65.096 63.100 -0.079 0.000 0.889 429 P CB -0.136 31.479 31.700 -0.142 0.000 0.790 430 S N -0.769 114.890 115.700 -0.069 0.000 2.370 430 S HA -0.129 4.341 4.470 0.000 0.000 0.226 430 S C 1.991 176.497 174.600 -0.157 0.000 1.033 430 S CA 1.430 59.564 58.200 -0.110 0.000 1.011 430 S CB -1.294 61.843 63.200 -0.104 0.000 0.852 430 S HN -0.042 nan 8.310 nan 0.000 0.457 431 V N 1.759 121.602 119.914 -0.118 0.000 2.515 431 V HA -0.100 4.020 4.120 0.000 0.000 0.250 431 V C 1.986 178.054 176.094 -0.043 0.000 1.058 431 V CA 1.245 63.475 62.300 -0.116 0.000 1.064 431 V CB -0.640 31.165 31.823 -0.031 0.000 0.675 431 V HN 0.447 nan 8.190 nan 0.000 0.461 432 I N -0.539 120.026 120.570 -0.008 0.000 2.202 432 I HA -0.185 3.985 4.170 0.000 0.000 0.242 432 I C 2.425 178.553 176.117 0.020 0.000 1.091 432 I CA 1.147 62.464 61.300 0.029 0.000 1.368 432 I CB -0.430 37.589 38.000 0.031 0.000 1.058 432 I HN 0.128 nan 8.210 nan 0.000 0.410 433 V N 1.272 121.176 119.914 -0.016 0.000 2.282 433 V HA -0.358 3.762 4.120 0.000 0.000 0.249 433 V C 2.767 178.861 176.094 0.000 0.000 1.057 433 V CA 2.215 64.517 62.300 0.004 0.000 1.032 433 V CB -1.065 30.743 31.823 -0.025 0.000 0.645 433 V HN 0.520 nan 8.190 nan 0.000 0.447 434 A N -0.267 122.470 122.820 -0.138 0.000 1.883 434 A HA -0.273 4.048 4.320 0.000 0.000 0.217 434 A C 2.353 179.963 177.584 0.045 0.000 1.186 434 A CA 2.167 54.078 52.037 -0.210 0.000 0.624 434 A CB -0.561 18.071 19.000 -0.614 0.000 0.822 434 A HN 0.526 nan 8.150 nan 0.000 0.444 435 R N -0.441 120.133 120.500 0.124 0.000 2.073 435 R HA -0.112 4.229 4.340 0.000 0.000 0.234 435 R C 2.076 178.477 176.300 0.169 0.000 1.134 435 R CA 1.457 57.710 56.100 0.255 0.000 0.952 435 R CB -0.395 30.032 30.300 0.211 0.000 0.850 435 R HN 0.566 nan 8.270 nan 0.000 0.433 436 N N 0.034 118.814 118.700 0.134 0.000 2.120 436 N HA -0.197 4.544 4.740 0.000 0.000 0.188 436 N C 1.749 177.348 175.510 0.148 0.000 1.024 436 N CA 1.385 54.507 53.050 0.120 0.000 0.852 436 N CB -0.298 38.253 38.487 0.106 0.000 1.003 436 N HN 0.326 nan 8.380 nan 0.000 0.424 437 H N 1.539 120.670 119.070 0.102 0.000 2.353 437 H HA 0.001 4.557 4.556 0.000 0.000 0.300 437 H C 2.298 177.688 175.328 0.104 0.000 1.090 437 H CA 1.732 57.858 56.048 0.129 0.000 1.327 437 H CB 0.021 29.902 29.762 0.198 0.000 1.383 437 H HN 0.093 nan 8.280 nan 0.000 0.508 438 R N 0.338 120.929 120.500 0.151 0.000 2.082 438 R HA -0.140 4.200 4.340 0.000 0.000 0.234 438 R C 1.325 177.631 176.300 0.010 0.000 1.136 438 R CA 2.074 58.225 56.100 0.084 0.000 0.935 438 R CB -0.279 30.134 30.300 0.188 0.000 0.842 438 R HN 0.376 nan 8.270 nan 0.000 0.430 439 D N 0.470 120.894 120.400 0.040 0.000 2.221 439 D HA -0.122 4.518 4.640 0.000 0.000 0.204 439 D C 1.526 177.818 176.300 -0.013 0.000 0.982 439 D CA 1.325 55.335 54.000 0.016 0.000 0.857 439 D CB -0.151 40.670 40.800 0.036 0.000 0.934 439 D HN 0.446 nan 8.370 nan 0.000 0.475 440 A N -0.221 122.578 122.820 -0.035 0.000 2.209 440 A HA 0.317 4.638 4.320 0.000 0.000 0.212 440 A C 1.845 179.368 177.584 -0.101 0.000 1.158 440 A CA 1.301 53.303 52.037 -0.059 0.000 0.742 440 A CB -0.211 18.751 19.000 -0.063 0.000 0.790 440 A HN 0.283 nan 8.150 nan 0.000 0.472 441 G N -2.724 106.007 108.800 -0.114 0.000 2.144 441 G HA2 0.174 4.134 3.960 0.000 0.000 0.218 441 G HA3 0.174 4.134 3.960 0.000 0.000 0.218 441 G C 0.237 175.048 174.900 -0.150 0.000 0.988 441 G CA 0.217 45.252 45.100 -0.108 0.000 0.659 441 G HN 1.558 nan 8.290 nan 0.000 0.522 442 A N 0.016 122.677 122.820 -0.265 0.000 2.306 442 A HA 0.867 5.187 4.320 0.000 0.000 0.330 442 A C -2.434 175.098 177.584 -0.087 0.000 1.146 442 A CA -1.668 50.215 52.037 -0.256 0.000 0.827 442 A CB 1.065 19.751 19.000 -0.523 0.000 1.178 442 A HN 0.053 nan 8.150 nan 0.000 0.490 443 P HA 0.175 nan 4.420 nan 0.000 0.261 443 P C -0.516 176.921 177.300 0.229 0.000 1.203 443 P CA 0.843 64.008 63.100 0.108 0.000 0.767 443 P CB 0.489 32.297 31.700 0.181 0.000 0.785 444 T N 3.549 118.133 114.554 0.049 0.000 2.885 444 T HA 0.583 4.933 4.350 0.000 0.000 0.285 444 T C -0.897 173.643 174.700 -0.266 0.000 1.019 444 T CA -0.232 61.925 62.100 0.095 0.000 1.010 444 T CB 0.816 69.815 68.868 0.219 0.000 1.022 444 T HN 0.116 nan 8.240 nan 0.000 0.466 445 Y N 0.755 121.027 120.300 -0.047 0.000 2.504 445 Y HA 0.640 5.190 4.550 0.001 0.000 0.344 445 Y C -0.158 175.713 175.900 -0.049 0.000 1.023 445 Y CA -1.065 56.979 58.100 -0.093 0.000 1.020 445 Y CB 2.032 40.164 38.460 -0.547 0.000 1.282 445 Y HN 0.370 nan 8.280 nan 0.000 0.454 446 M N 3.173 123.011 119.600 0.397 0.000 2.619 446 M HA 0.549 5.029 4.480 0.000 0.000 0.297 446 M C -1.643 174.984 176.300 0.546 0.000 1.229 446 M CA -1.020 54.413 55.300 0.221 0.000 0.860 446 M CB 3.296 35.830 32.600 -0.110 0.000 1.741 446 M HN 0.763 nan 8.290 nan 0.000 0.462 447 Y N -1.393 119.054 120.300 0.246 0.000 2.609 447 Y HA 0.686 5.236 4.550 0.001 0.000 0.336 447 Y C -1.631 174.362 175.900 0.155 0.000 1.129 447 Y CA -0.950 57.262 58.100 0.187 0.000 1.040 447 Y CB 1.555 40.087 38.460 0.120 0.000 1.310 447 Y HN 0.699 nan 8.280 nan 0.000 0.460 448 E N 3.088 123.519 120.200 0.386 0.000 2.279 448 E HA 0.287 4.637 4.350 0.000 0.000 0.252 448 E C -2.108 174.741 176.600 0.416 0.000 0.894 448 E CA -0.823 55.743 56.400 0.276 0.000 0.785 448 E CB 1.027 30.832 29.700 0.175 0.000 1.237 448 E HN 0.642 nan 8.360 nan 0.000 0.418 449 F N 3.723 123.894 119.950 0.369 0.000 2.445 449 F HA 0.174 4.701 4.527 0.000 0.000 0.359 449 F C -0.087 175.843 175.800 0.216 0.000 1.101 449 F CA 0.150 58.326 58.000 0.294 0.000 1.177 449 F CB 0.866 40.066 39.000 0.334 0.000 1.110 449 F HN 0.431 nan 8.300 nan 0.000 0.522 450 Q N 7.087 126.728 119.800 -0.265 0.000 2.558 450 Q HA 0.278 4.619 4.340 0.000 0.000 0.252 450 Q C -2.184 173.678 176.000 -0.229 0.000 1.015 450 Q CA -0.587 55.133 55.803 -0.137 0.000 0.720 450 Q CB 0.861 29.586 28.738 -0.023 0.000 1.215 450 Q HN 0.800 nan 8.270 nan 0.000 0.500 451 Y N 0.820 120.886 120.300 -0.391 0.000 2.565 451 Y HA 0.339 4.889 4.550 0.000 0.000 0.330 451 Y C -1.868 174.026 175.900 -0.011 0.000 1.150 451 Y CA -0.868 57.070 58.100 -0.271 0.000 1.055 451 Y CB 1.489 39.658 38.460 -0.484 0.000 1.337 451 Y HN 0.485 nan 8.280 nan 0.000 0.457 452 R N 6.854 127.051 120.500 -0.505 0.000 2.287 452 R HA 0.460 4.800 4.340 0.000 0.000 0.316 452 R C -2.738 173.380 176.300 -0.304 0.000 1.050 452 R CA -2.014 53.926 56.100 -0.268 0.000 0.983 452 R CB 0.779 30.913 30.300 -0.276 0.000 1.140 452 R HN 0.397 nan 8.270 nan 0.000 0.528 453 P HA -0.059 nan 4.420 nan 0.000 0.266 453 P C 0.229 177.367 177.300 -0.270 0.000 1.195 453 P CA 0.213 63.320 63.100 0.012 0.000 0.768 453 P CB 1.253 32.960 31.700 0.011 0.000 0.838 454 S N 1.149 116.567 115.700 -0.470 0.000 2.515 454 S HA -0.065 4.405 4.470 0.000 0.000 0.231 454 S C 1.119 175.345 174.600 -0.623 0.000 0.987 454 S CA 0.377 58.237 58.200 -0.568 0.000 0.936 454 S CB -1.059 61.752 63.200 -0.649 0.000 0.766 454 S HN 0.385 nan 8.310 nan 0.000 0.528 455 F N 2.178 121.935 119.950 -0.322 0.000 2.732 455 F HA 0.382 4.909 4.527 0.000 0.000 0.303 455 F C 1.230 176.808 175.800 -0.369 0.000 1.110 455 F CA -0.554 57.224 58.000 -0.371 0.000 1.355 455 F CB -0.430 38.246 39.000 -0.541 0.000 1.081 455 F HN 0.021 nan 8.300 nan 0.000 0.565 456 S N 0.145 115.719 115.700 -0.211 0.000 2.576 456 S HA 0.035 4.506 4.470 0.000 0.000 0.272 456 S C 0.592 175.127 174.600 -0.110 0.000 1.352 456 S CA -0.525 57.595 58.200 -0.133 0.000 1.021 456 S CB 0.792 63.895 63.200 -0.163 0.000 0.887 456 S HN 0.282 nan 8.310 nan 0.000 0.542 457 S N 0.580 116.223 115.700 -0.094 0.000 2.568 457 S HA 0.006 4.476 4.470 0.000 0.000 0.282 457 S C 0.879 175.332 174.600 -0.245 0.000 1.338 457 S CA -0.575 57.561 58.200 -0.107 0.000 1.045 457 S CB 0.166 63.364 63.200 -0.004 0.000 0.873 457 S HN 0.631 nan 8.310 nan 0.000 0.516 458 D N 3.744 124.054 120.400 -0.151 0.000 2.178 458 D HA -0.113 4.527 4.640 0.000 0.000 0.201 458 D C 1.628 177.798 176.300 -0.216 0.000 0.980 458 D CA 1.410 55.315 54.000 -0.159 0.000 0.842 458 D CB -0.112 40.636 40.800 -0.087 0.000 0.948 458 D HN 0.640 nan 8.370 nan 0.000 0.472 459 M N 0.339 119.812 119.600 -0.212 0.000 2.630 459 M HA -0.057 4.423 4.480 0.000 0.000 0.254 459 M C 1.025 176.989 176.300 -0.560 0.000 1.092 459 M CA 0.530 55.714 55.300 -0.193 0.000 1.087 459 M CB 0.018 32.666 32.600 0.080 0.000 1.453 459 M HN -0.223 nan 8.290 nan 0.000 0.509 460 K N 3.230 123.032 120.400 -0.996 0.000 2.285 460 K HA 0.206 4.526 4.320 0.000 0.000 0.286 460 K C -2.252 173.959 176.600 -0.647 0.000 1.072 460 K CA -1.771 53.658 56.287 -1.430 0.000 0.913 460 K CB 0.732 32.377 32.500 -1.425 0.000 1.067 460 K HN -0.090 nan 8.250 nan 0.000 0.479 461 P HA -0.070 nan 4.420 nan 0.000 0.262 461 P C -0.544 176.645 177.300 -0.186 0.000 1.182 461 P CA 0.297 63.265 63.100 -0.220 0.000 0.761 461 P CB 0.627 32.263 31.700 -0.107 0.000 0.795 462 K N 1.182 121.493 120.400 -0.149 0.000 2.360 462 K HA -0.086 4.235 4.320 0.000 0.000 0.201 462 K C 1.835 178.375 176.600 -0.101 0.000 1.046 462 K CA 1.753 57.960 56.287 -0.133 0.000 0.945 462 K CB -0.433 31.997 32.500 -0.118 0.000 0.750 462 K HN 0.633 nan 8.250 nan 0.000 0.464 463 T N -1.924 112.588 114.554 -0.071 0.000 3.043 463 T HA 0.021 4.372 4.350 0.000 0.000 0.263 463 T C 0.872 175.559 174.700 -0.023 0.000 1.094 463 T CA -0.073 62.003 62.100 -0.040 0.000 1.127 463 T CB -0.090 68.769 68.868 -0.015 0.000 0.905 463 T HN -0.184 nan 8.240 nan 0.000 0.490 464 V N 2.625 122.526 119.914 -0.021 0.000 2.446 464 V HA 0.352 4.472 4.120 0.000 0.000 0.276 464 V C 0.043 176.144 176.094 0.011 0.000 1.030 464 V CA -0.154 62.161 62.300 0.024 0.000 1.033 464 V CB -0.128 31.731 31.823 0.060 0.000 0.993 464 V HN 0.461 nan 8.190 nan 0.000 0.477 465 I N 3.950 124.539 120.570 0.031 0.000 2.447 465 I HA 0.630 4.800 4.170 0.000 0.000 0.287 465 I C 0.773 176.943 176.117 0.088 0.000 1.023 465 I CA -0.337 60.973 61.300 0.016 0.000 1.083 465 I CB 1.816 39.793 38.000 -0.038 0.000 1.245 465 I HN 0.782 nan 8.210 nan 0.000 0.434 466 G N 3.631 112.524 108.800 0.156 0.000 2.203 466 G HA2 -0.217 3.743 3.960 0.000 0.000 0.231 466 G HA3 -0.217 3.743 3.960 0.000 0.000 0.231 466 G C -0.275 174.783 174.900 0.262 0.000 1.058 466 G CA -0.195 45.062 45.100 0.262 0.000 0.781 466 G HN 0.681 nan 8.290 nan 0.000 0.496 467 D N -0.697 119.861 120.400 0.263 0.000 2.369 467 D HA 0.352 4.993 4.640 0.000 0.000 0.241 467 D C 0.946 177.424 176.300 0.297 0.000 1.271 467 D CA -0.315 53.849 54.000 0.274 0.000 0.942 467 D CB 0.325 41.316 40.800 0.319 0.000 1.129 467 D HN 0.349 nan 8.370 nan 0.000 0.476 468 H N -0.557 118.609 119.070 0.159 0.000 3.034 468 H HA 0.305 4.861 4.556 0.000 0.000 0.324 468 H C 1.315 176.794 175.328 0.251 0.000 1.015 468 H CA 1.618 57.734 56.048 0.113 0.000 1.429 468 H CB 0.142 29.942 29.762 0.063 0.000 1.429 468 H HN 0.581 nan 8.280 nan 0.000 0.585 469 G N 4.332 112.991 108.800 -0.235 0.000 2.162 469 G HA2 -0.333 3.627 3.960 0.000 0.000 0.260 469 G HA3 -0.333 3.627 3.960 0.000 0.000 0.260 469 G C 1.073 175.987 174.900 0.022 0.000 0.976 469 G CA 0.577 45.511 45.100 -0.277 0.000 0.655 469 G HN 0.675 nan 8.290 nan 0.000 0.533 470 D N 0.638 121.165 120.400 0.212 0.000 2.264 470 D HA -0.010 4.631 4.640 0.000 0.000 0.208 470 D C 2.390 178.808 176.300 0.198 0.000 0.966 470 D CA 1.254 55.501 54.000 0.411 0.000 0.864 470 D CB 0.014 41.113 40.800 0.497 0.000 0.933 470 D HN 0.720 nan 8.370 nan 0.000 0.499 471 E N 0.892 120.877 120.200 -0.358 0.000 2.371 471 E HA -0.084 4.266 4.350 0.000 0.000 0.194 471 E C 2.065 178.373 176.600 -0.487 0.000 1.012 471 E CA 0.098 55.865 56.400 -1.055 0.000 0.860 471 E CB -0.609 28.359 29.700 -1.221 0.000 0.811 471 E HN 0.307 nan 8.360 nan 0.000 0.502 472 L N -0.115 120.927 121.223 -0.301 0.000 2.127 472 L HA -0.134 4.206 4.340 0.000 0.000 0.211 472 L C 2.276 178.941 176.870 -0.341 0.000 1.089 472 L CA 1.381 56.022 54.840 -0.330 0.000 0.757 472 L CB -0.566 41.180 42.059 -0.521 0.000 0.899 472 L HN 0.026 nan 8.230 nan 0.000 0.434 473 F N -0.970 118.931 119.950 -0.081 0.000 2.407 473 F HA -0.120 4.407 4.527 0.000 0.000 0.299 473 F C 2.573 178.344 175.800 -0.048 0.000 1.097 473 F CA 0.849 58.818 58.000 -0.052 0.000 1.422 473 F CB -0.444 38.610 39.000 0.089 0.000 1.067 473 F HN -0.039 nan 8.300 nan 0.000 0.539 474 S N -0.236 115.485 115.700 0.035 0.000 2.356 474 S HA -0.071 4.399 4.470 0.000 0.000 0.219 474 S C 2.306 176.757 174.600 -0.248 0.000 1.036 474 S CA 0.824 58.988 58.200 -0.060 0.000 0.965 474 S CB -0.441 62.706 63.200 -0.088 0.000 0.864 474 S HN 0.089 nan 8.310 nan 0.000 0.471 475 V N 1.059 120.696 119.914 -0.461 0.000 2.282 475 V HA -0.165 3.955 4.120 0.000 0.000 0.249 475 V C 1.486 177.226 176.094 -0.589 0.000 1.057 475 V CA 1.728 63.614 62.300 -0.690 0.000 1.032 475 V CB -0.716 30.622 31.823 -0.808 0.000 0.645 475 V HN 0.457 nan 8.190 nan 0.000 0.447 476 F N 0.576 120.318 119.950 -0.347 0.000 2.664 476 F HA 0.444 4.971 4.527 0.000 0.000 0.301 476 F C 1.643 177.316 175.800 -0.210 0.000 1.126 476 F CA 0.455 58.275 58.000 -0.300 0.000 1.373 476 F CB -0.456 38.319 39.000 -0.375 0.000 1.042 476 F HN 0.261 nan 8.300 nan 0.000 0.535 477 G N 0.980 109.756 108.800 -0.040 0.000 2.371 477 G HA2 -0.288 3.673 3.960 0.000 0.000 0.299 477 G HA3 -0.288 3.673 3.960 0.000 0.000 0.299 477 G C 1.227 176.224 174.900 0.161 0.000 1.014 477 G CA 0.312 45.476 45.100 0.106 0.000 1.097 477 G HN 0.586 nan 8.290 nan 0.000 0.512 478 A N 0.246 123.083 122.820 0.028 0.000 1.940 478 A HA 0.106 4.427 4.320 0.000 0.000 0.219 478 A C 0.651 178.144 177.584 -0.153 0.000 1.176 478 A CA 2.039 53.968 52.037 -0.181 0.000 0.631 478 A CB -0.709 18.055 19.000 -0.393 0.000 0.814 478 A HN 0.483 nan 8.150 nan 0.000 0.446 479 P HA -0.109 nan 4.420 nan 0.000 0.223 479 P C 0.349 177.443 177.300 -0.343 0.000 1.144 479 P CA 0.921 63.994 63.100 -0.045 0.000 0.783 479 P CB -0.132 31.420 31.700 -0.246 0.000 0.771 480 F N -2.794 117.183 119.950 0.044 0.000 2.678 480 F HA 0.253 4.780 4.527 0.000 0.000 0.305 480 F C 1.641 177.477 175.800 0.060 0.000 1.090 480 F CA 0.271 58.315 58.000 0.073 0.000 1.272 480 F CB -0.147 38.903 39.000 0.083 0.000 1.060 480 F HN -0.176 nan 8.300 nan 0.000 0.576 481 L N -1.511 119.792 121.223 0.135 0.000 2.694 481 L HA 0.246 4.586 4.340 0.000 0.000 0.228 481 L C 0.652 177.548 176.870 0.042 0.000 1.048 481 L CA 0.114 55.000 54.840 0.077 0.000 0.887 481 L CB 0.190 42.262 42.059 0.021 0.000 1.265 481 L HN -0.237 nan 8.230 nan 0.000 0.492 482 K N 0.909 121.316 120.400 0.012 0.000 2.106 482 K HA 0.419 4.739 4.320 0.000 0.000 0.246 482 K C -0.628 176.078 176.600 0.178 0.000 0.987 482 K CA -0.488 55.844 56.287 0.075 0.000 0.904 482 K CB 1.437 33.939 32.500 0.004 0.000 1.071 482 K HN -0.046 nan 8.250 nan 0.000 0.453 483 E N -0.818 119.490 120.200 0.180 0.000 2.227 483 E HA 0.356 4.706 4.350 0.000 0.000 0.268 483 E C 0.365 177.025 176.600 0.101 0.000 0.990 483 E CA -0.227 56.246 56.400 0.122 0.000 0.856 483 E CB 1.446 31.187 29.700 0.068 0.000 1.159 483 E HN 0.786 nan 8.360 nan 0.000 0.401 484 G N 0.693 109.507 108.800 0.023 0.000 2.176 484 G HA2 -0.273 3.687 3.960 0.000 0.000 0.232 484 G HA3 -0.273 3.687 3.960 0.000 0.000 0.232 484 G C 0.330 175.160 174.900 -0.116 0.000 0.986 484 G CA -0.169 44.899 45.100 -0.054 0.000 0.643 484 G HN 0.757 nan 8.290 nan 0.000 0.522 485 A N 0.777 123.552 122.820 -0.074 0.000 2.520 485 A HA 0.612 4.932 4.320 0.000 0.000 0.245 485 A C 1.128 178.654 177.584 -0.097 0.000 1.072 485 A CA 1.084 53.054 52.037 -0.112 0.000 0.761 485 A CB 0.140 19.141 19.000 0.003 0.000 1.004 485 A HN 1.986 nan 8.150 nan 0.000 0.499 486 S N 1.409 117.053 115.700 -0.093 0.000 2.614 486 S HA 0.230 4.701 4.470 0.000 0.000 0.265 486 S C 0.823 175.395 174.600 -0.046 0.000 1.303 486 S CA 0.220 58.385 58.200 -0.059 0.000 1.000 486 S CB 0.944 64.118 63.200 -0.043 0.000 0.935 486 S HN 0.759 nan 8.310 nan 0.000 0.551 487 E N 0.292 120.473 120.200 -0.031 0.000 2.333 487 E HA -0.150 4.200 4.350 0.000 0.000 0.198 487 E C 1.700 178.292 176.600 -0.013 0.000 1.007 487 E CA 1.404 57.790 56.400 -0.022 0.000 0.845 487 E CB -0.183 29.512 29.700 -0.009 0.000 0.766 487 E HN 0.799 nan 8.360 nan 0.000 0.507 488 E N -0.030 120.169 120.200 -0.002 0.000 2.076 488 E HA -0.176 4.174 4.350 0.000 0.000 0.190 488 E C 1.804 178.395 176.600 -0.016 0.000 0.979 488 E CA 0.873 57.280 56.400 0.011 0.000 0.807 488 E CB -0.004 29.729 29.700 0.055 0.000 0.761 488 E HN 0.376 nan 8.360 nan 0.000 0.454 489 E N 0.295 120.499 120.200 0.007 0.000 2.107 489 E HA -0.120 4.230 4.350 0.000 0.000 0.191 489 E C 2.183 178.756 176.600 -0.045 0.000 0.982 489 E CA 0.588 56.979 56.400 -0.015 0.000 0.809 489 E CB 0.066 29.806 29.700 0.067 0.000 0.756 489 E HN 0.276 nan 8.360 nan 0.000 0.459 490 I N 0.490 121.015 120.570 -0.076 0.000 2.142 490 I HA -0.274 3.897 4.170 0.000 0.000 0.240 490 I C 2.794 178.920 176.117 0.014 0.000 1.078 490 I CA 1.077 62.286 61.300 -0.152 0.000 1.343 490 I CB -0.289 37.585 38.000 -0.209 0.000 1.046 490 I HN 0.089 nan 8.210 nan 0.000 0.405 491 R N 0.821 121.328 120.500 0.013 0.000 2.091 491 R HA -0.233 4.107 4.340 0.000 0.000 0.238 491 R C 2.354 178.658 176.300 0.008 0.000 1.136 491 R CA 1.599 57.719 56.100 0.035 0.000 0.959 491 R CB -0.281 30.026 30.300 0.012 0.000 0.856 491 R HN 0.227 nan 8.270 nan 0.000 0.437 492 L N 0.242 121.433 121.223 -0.054 0.000 2.017 492 L HA -0.134 4.206 4.340 0.000 0.000 0.208 492 L C 2.296 179.149 176.870 -0.028 0.000 1.073 492 L CA 2.229 57.012 54.840 -0.096 0.000 0.745 492 L CB -0.857 41.023 42.059 -0.299 0.000 0.894 492 L HN 0.139 nan 8.230 nan 0.000 0.432 493 S N -0.817 114.891 115.700 0.014 0.000 2.370 493 S HA -0.233 4.237 4.470 0.000 0.000 0.226 493 S C 2.070 176.691 174.600 0.036 0.000 1.033 493 S CA 1.566 59.798 58.200 0.053 0.000 1.011 493 S CB -0.243 63.069 63.200 0.186 0.000 0.852 493 S HN 0.535 nan 8.310 nan 0.000 0.457 494 K N 0.504 120.967 120.400 0.104 0.000 2.032 494 K HA -0.166 4.154 4.320 0.000 0.000 0.209 494 K C 2.348 178.933 176.600 -0.025 0.000 1.048 494 K CA 1.811 58.124 56.287 0.045 0.000 0.927 494 K CB -0.393 32.181 32.500 0.122 0.000 0.712 494 K HN 0.490 nan 8.250 nan 0.000 0.441 495 M N 1.063 120.643 119.600 -0.034 0.000 2.080 495 M HA -0.189 4.291 4.480 0.000 0.000 0.260 495 M C 2.037 178.306 176.300 -0.051 0.000 1.068 495 M CA 1.603 56.837 55.300 -0.110 0.000 1.109 495 M CB -0.028 32.532 32.600 -0.067 0.000 1.342 495 M HN -0.055 nan 8.290 nan 0.000 0.405 496 V N 1.096 121.026 119.914 0.027 0.000 2.295 496 V HA -0.328 3.792 4.120 0.000 0.000 0.246 496 V C 2.441 178.533 176.094 -0.003 0.000 1.049 496 V CA 2.223 64.538 62.300 0.025 0.000 1.024 496 V CB -0.675 30.974 31.823 -0.289 0.000 0.648 496 V HN 0.578 nan 8.190 nan 0.000 0.447 497 M N -0.991 118.541 119.600 -0.112 0.000 2.149 497 M HA -0.187 4.293 4.480 0.000 0.000 0.261 497 M C 2.344 178.679 176.300 0.058 0.000 1.064 497 M CA 1.661 56.909 55.300 -0.086 0.000 1.102 497 M CB -0.556 31.949 32.600 -0.157 0.000 1.369 497 M HN 0.196 nan 8.290 nan 0.000 0.408 498 K N 0.360 120.775 120.400 0.025 0.000 2.009 498 K HA -0.108 4.212 4.320 0.000 0.000 0.210 498 K C 1.853 178.532 176.600 0.133 0.000 1.049 498 K CA 1.723 58.016 56.287 0.009 0.000 0.929 498 K CB -0.474 31.946 32.500 -0.133 0.000 0.714 498 K HN 0.316 nan 8.250 nan 0.000 0.440 499 F N -0.354 119.745 119.950 0.249 0.000 2.069 499 F HA -0.260 4.267 4.527 0.001 0.000 0.298 499 F C 2.576 178.559 175.800 0.304 0.000 1.113 499 F CA 0.812 59.011 58.000 0.332 0.000 1.214 499 F CB -0.279 39.087 39.000 0.610 0.000 0.978 499 F HN 0.252 nan 8.300 nan 0.000 0.474 500 W N 0.156 121.572 121.300 0.194 0.000 2.335 500 W HA -0.259 4.402 4.660 0.001 0.000 0.311 500 W C 2.622 179.155 176.519 0.024 0.000 1.213 500 W CA 1.129 58.503 57.345 0.049 0.000 1.274 500 W CB -0.643 28.781 29.460 -0.061 0.000 1.148 500 W HN 0.010 nan 8.180 nan 0.000 0.498 501 A N 0.413 123.366 122.820 0.222 0.000 1.898 501 A HA -0.210 4.110 4.320 0.000 0.000 0.216 501 A C 1.735 179.363 177.584 0.073 0.000 1.181 501 A CA 1.731 53.821 52.037 0.088 0.000 0.620 501 A CB -1.030 18.002 19.000 0.054 0.000 0.819 501 A HN 0.235 nan 8.150 nan 0.000 0.442 502 N N -0.836 117.931 118.700 0.112 0.000 2.104 502 N HA -0.159 4.581 4.740 0.000 0.000 0.190 502 N C 1.408 176.946 175.510 0.047 0.000 1.024 502 N CA 1.536 54.634 53.050 0.080 0.000 0.853 502 N CB -0.600 37.961 38.487 0.123 0.000 1.008 502 N HN 0.518 nan 8.380 nan 0.000 0.424 503 F N 1.669 121.551 119.950 -0.113 0.000 2.102 503 F HA -0.078 4.449 4.527 0.000 0.000 0.298 503 F C 2.187 177.900 175.800 -0.145 0.000 1.105 503 F CA 1.356 59.222 58.000 -0.224 0.000 1.239 503 F CB -0.589 38.179 39.000 -0.387 0.000 0.991 503 F HN 0.037 nan 8.300 nan 0.000 0.474 504 A N 0.249 123.006 122.820 -0.105 0.000 2.024 504 A HA -0.175 4.145 4.320 0.000 0.000 0.220 504 A C 2.362 179.850 177.584 -0.159 0.000 1.164 504 A CA 1.714 53.654 52.037 -0.161 0.000 0.643 504 A CB -0.630 18.324 19.000 -0.078 0.000 0.806 504 A HN 0.476 nan 8.150 nan 0.000 0.451 505 R N -0.778 119.653 120.500 -0.115 0.000 2.057 505 R HA 0.020 4.360 4.340 0.000 0.000 0.224 505 R C 0.797 177.025 176.300 -0.119 0.000 1.136 505 R CA 1.347 57.392 56.100 -0.090 0.000 0.968 505 R CB -0.093 30.182 30.300 -0.041 0.000 0.863 505 R HN 0.555 nan 8.270 nan 0.000 0.433 506 N N -1.157 117.464 118.700 -0.132 0.000 2.171 506 N HA 0.090 4.830 4.740 0.000 0.000 0.212 506 N C 0.559 175.960 175.510 -0.183 0.000 1.184 506 N CA 0.794 53.773 53.050 -0.120 0.000 0.888 506 N CB 1.848 40.303 38.487 -0.053 0.000 1.038 506 N HN 0.346 nan 8.380 nan 0.000 0.517 507 G N 1.606 110.175 108.800 -0.384 0.000 2.153 507 G HA2 -0.265 3.695 3.960 0.000 0.000 0.252 507 G HA3 -0.265 3.695 3.960 0.000 0.000 0.252 507 G C -0.170 174.610 174.900 -0.200 0.000 0.994 507 G CA 0.177 44.929 45.100 -0.580 0.000 0.698 507 G HN 0.464 nan 8.290 nan 0.000 0.521 508 N N -0.358 118.280 118.700 -0.103 0.000 2.454 508 N HA 0.383 5.124 4.740 0.000 0.000 0.291 508 N C -1.313 174.114 175.510 -0.137 0.000 1.079 508 N CA -1.328 51.664 53.050 -0.096 0.000 0.893 508 N CB 2.436 40.937 38.487 0.023 0.000 1.512 508 N HN -0.047 nan 8.380 nan 0.000 0.497 509 P HA -0.113 nan 4.420 nan 0.000 0.217 509 P C 0.023 177.459 177.300 0.227 0.000 1.150 509 P CA 0.743 63.730 63.100 -0.189 0.000 0.832 509 P CB 0.262 31.428 31.700 -0.890 0.000 0.787 510 N N 0.811 119.600 118.700 0.148 0.000 2.265 510 N HA 0.158 4.898 4.740 0.000 0.000 0.231 510 N C 0.962 176.601 175.510 0.216 0.000 1.266 510 N CA 1.612 54.841 53.050 0.298 0.000 0.862 510 N CB 0.003 38.633 38.487 0.239 0.000 1.100 510 N HN 0.229 nan 8.380 nan 0.000 0.439 511 G N -0.438 108.480 108.800 0.197 0.000 2.355 511 G HA2 0.195 4.155 3.960 0.000 0.000 0.296 511 G HA3 0.195 4.155 3.960 0.000 0.000 0.296 511 G C -1.370 173.583 174.900 0.087 0.000 1.507 511 G CA -0.805 44.361 45.100 0.110 0.000 0.823 511 G HN 0.601 nan 8.290 nan 0.000 0.569 512 E N -0.520 119.717 120.200 0.061 0.000 2.413 512 E HA 0.423 4.773 4.350 0.000 0.000 0.263 512 E C 1.097 177.711 176.600 0.023 0.000 1.015 512 E CA 0.281 56.711 56.400 0.050 0.000 0.916 512 E CB 0.964 30.687 29.700 0.039 0.000 0.947 512 E HN 2.206 nan 8.360 nan 0.000 0.440 513 G N 2.267 111.083 108.800 0.027 0.000 2.143 513 G HA2 -0.251 3.709 3.960 0.000 0.000 0.249 513 G HA3 -0.251 3.709 3.960 0.000 0.000 0.249 513 G C -0.167 174.719 174.900 -0.022 0.000 0.981 513 G CA 0.285 45.388 45.100 0.005 0.000 0.665 513 G HN 0.416 nan 8.290 nan 0.000 0.528 514 L N -0.172 121.050 121.223 -0.001 0.000 2.388 514 L HA 0.554 4.894 4.340 0.000 0.000 0.264 514 L C -2.149 174.819 176.870 0.164 0.000 0.998 514 L CA -2.455 52.362 54.840 -0.038 0.000 0.817 514 L CB 2.118 44.014 42.059 -0.273 0.000 1.338 514 L HN -0.150 nan 8.230 nan 0.000 0.414 515 P HA 0.005 nan 4.420 nan 0.000 0.266 515 P C -0.911 176.639 177.300 0.417 0.000 1.195 515 P CA -0.094 63.186 63.100 0.301 0.000 0.768 515 P CB 0.246 32.112 31.700 0.277 0.000 0.838 516 H N 2.356 121.573 119.070 0.244 0.000 2.886 516 H HA 0.118 4.674 4.556 0.000 0.000 0.329 516 H C -0.972 174.537 175.328 0.301 0.000 1.044 516 H CA 0.136 56.345 56.048 0.268 0.000 1.456 516 H CB 0.186 30.058 29.762 0.183 0.000 1.464 516 H HN 0.367 nan 8.280 nan 0.000 0.573 517 W N 9.887 130.911 121.300 -0.459 0.000 2.278 517 W HA 0.313 4.973 4.660 0.000 0.000 0.317 517 W C -2.788 173.468 176.519 -0.437 0.000 1.030 517 W CA -3.261 53.872 57.345 -0.353 0.000 1.334 517 W CB 0.859 30.095 29.460 -0.373 0.000 1.215 517 W HN 0.574 nan 8.180 nan 0.000 0.405 518 P HA 0.012 nan 4.420 nan 0.000 0.271 518 P C -0.173 177.298 177.300 0.285 0.000 1.218 518 P CA 0.261 63.481 63.100 0.200 0.000 0.780 518 P CB 1.312 33.146 31.700 0.224 0.000 0.901 519 E N 1.897 122.156 120.200 0.099 0.000 2.373 519 E HA -0.018 4.332 4.350 0.000 0.000 0.267 519 E C -0.849 175.687 176.600 -0.106 0.000 1.032 519 E CA -0.533 55.693 56.400 -0.290 0.000 0.889 519 E CB 0.259 29.780 29.700 -0.299 0.000 0.984 519 E HN 0.393 nan 8.360 nan 0.000 0.425 520 Y N 6.647 126.783 120.300 -0.272 0.000 2.573 520 Y HA -0.007 4.543 4.550 0.000 0.000 0.346 520 Y C 0.230 176.087 175.900 -0.072 0.000 1.198 520 Y CA -0.210 57.850 58.100 -0.066 0.000 1.627 520 Y CB -0.522 37.922 38.460 -0.026 0.000 1.457 520 Y HN 0.480 nan 8.280 nan 0.000 0.483 521 N N 1.237 119.808 118.700 -0.215 0.000 2.982 521 N HA 0.063 4.803 4.740 0.000 0.000 0.319 521 N C 0.774 176.137 175.510 -0.245 0.000 1.372 521 N CA -0.084 52.868 53.050 -0.165 0.000 0.735 521 N CB 0.073 38.506 38.487 -0.090 0.000 1.158 521 N HN 0.332 nan 8.380 nan 0.000 0.505 522 Q N -0.133 119.582 119.800 -0.142 0.000 2.167 522 Q HA 0.032 4.372 4.340 0.000 0.000 0.202 522 Q C 1.405 177.323 176.000 -0.137 0.000 0.970 522 Q CA 1.380 57.109 55.803 -0.123 0.000 0.855 522 Q CB -0.415 28.286 28.738 -0.062 0.000 0.911 522 Q HN 0.509 nan 8.270 nan 0.000 0.438 523 K N 1.012 121.341 120.400 -0.118 0.000 2.442 523 K HA -0.065 4.255 4.320 0.000 0.000 0.198 523 K C 0.096 176.618 176.600 -0.129 0.000 1.042 523 K CA 0.187 56.424 56.287 -0.084 0.000 0.958 523 K CB 0.075 32.552 32.500 -0.039 0.000 0.766 523 K HN 0.241 nan 8.250 nan 0.000 0.474 524 E N -0.658 119.351 120.200 -0.318 0.000 2.389 524 E HA -0.168 4.183 4.350 0.000 0.000 0.243 524 E C 0.035 176.579 176.600 -0.094 0.000 1.154 524 E CA 0.257 56.315 56.400 -0.570 0.000 0.723 524 E CB -1.893 27.605 29.700 -0.337 0.000 1.261 524 E HN 0.480 nan 8.360 nan 0.000 0.390 525 G N 0.615 109.406 108.800 -0.014 0.000 2.467 525 G HA2 0.403 4.363 3.960 0.000 0.000 0.257 525 G HA3 0.403 4.363 3.960 0.000 0.000 0.257 525 G C -0.313 174.809 174.900 0.370 0.000 1.227 525 G CA 0.056 45.240 45.100 0.139 0.000 0.835 525 G HN 0.292 nan 8.290 nan 0.000 0.556 526 Y N -0.056 120.376 120.300 0.219 0.000 2.655 526 Y HA 0.731 5.282 4.550 0.000 0.000 0.336 526 Y C -1.452 174.475 175.900 0.044 0.000 1.154 526 Y CA -1.926 56.329 58.100 0.258 0.000 1.055 526 Y CB 1.597 40.208 38.460 0.252 0.000 1.295 526 Y HN 0.552 nan 8.280 nan 0.000 0.465 527 L N 2.411 123.604 121.223 -0.051 0.000 2.307 527 L HA 0.490 4.831 4.340 0.000 0.000 0.284 527 L C -0.977 175.811 176.870 -0.136 0.000 1.023 527 L CA -0.599 53.956 54.840 -0.477 0.000 0.810 527 L CB 1.766 42.934 42.059 -1.484 0.000 1.231 527 L HN 0.775 nan 8.230 nan 0.000 0.423 528 Q N 6.168 125.886 119.800 -0.135 0.000 2.368 528 Q HA 0.471 4.812 4.340 0.000 0.000 0.256 528 Q C -1.024 174.950 176.000 -0.043 0.000 0.980 528 Q CA -0.243 55.580 55.803 0.033 0.000 0.887 528 Q CB 1.654 30.410 28.738 0.029 0.000 1.221 528 Q HN 0.587 nan 8.270 nan 0.000 0.458 529 I N 1.806 122.376 120.570 -0.001 0.000 2.353 529 I HA 0.682 4.852 4.170 0.000 0.000 0.293 529 I C 0.667 176.680 176.117 -0.174 0.000 0.992 529 I CA -0.197 61.080 61.300 -0.038 0.000 1.268 529 I CB 1.504 39.557 38.000 0.087 0.000 1.387 529 I HN 0.767 nan 8.210 nan 0.000 0.478 530 G N 3.138 111.834 108.800 -0.173 0.000 2.356 530 G HA2 0.354 4.314 3.960 0.000 0.000 0.281 530 G HA3 0.354 4.314 3.960 0.000 0.000 0.281 530 G C 0.271 175.116 174.900 -0.092 0.000 1.246 530 G CA 0.014 44.989 45.100 -0.209 0.000 0.889 530 G HN 0.563 nan 8.290 nan 0.000 0.486 531 A N -0.542 122.311 122.820 0.055 0.000 1.986 531 A HA 0.077 4.397 4.320 0.000 0.000 0.220 531 A C 0.872 178.467 177.584 0.019 0.000 1.171 531 A CA 1.720 53.800 52.037 0.073 0.000 0.640 531 A CB -0.478 18.602 19.000 0.134 0.000 0.811 531 A HN 0.560 nan 8.150 nan 0.000 0.451 532 N N 0.362 119.066 118.700 0.008 0.000 2.573 532 N HA 0.233 4.973 4.740 0.000 0.000 0.262 532 N C -1.475 174.031 175.510 -0.007 0.000 1.029 532 N CA -0.090 52.962 53.050 0.004 0.000 0.882 532 N CB 1.424 39.915 38.487 0.007 0.000 1.204 532 N HN 0.001 nan 8.380 nan 0.000 0.519 533 T N 3.136 117.690 114.554 -0.000 0.000 2.728 533 T HA 0.294 4.644 4.350 0.000 0.000 0.296 533 T C 0.151 174.849 174.700 -0.003 0.000 0.940 533 T CA -0.448 61.649 62.100 -0.005 0.000 1.013 533 T CB 0.674 69.566 68.868 0.040 0.000 0.912 533 T HN 0.443 nan 8.240 nan 0.000 0.484 534 Q N 1.823 121.596 119.800 -0.045 0.000 2.472 534 Q HA 0.646 4.987 4.340 0.000 0.000 0.281 534 Q C -1.213 174.715 176.000 -0.121 0.000 0.997 534 Q CA -1.111 54.665 55.803 -0.045 0.000 0.828 534 Q CB 1.437 30.162 28.738 -0.022 0.000 1.443 534 Q HN 0.567 nan 8.270 nan 0.000 0.390 535 A N 1.034 123.792 122.820 -0.103 0.000 2.429 535 A HA 0.747 5.067 4.320 0.000 0.000 0.242 535 A C -0.081 177.346 177.584 -0.262 0.000 1.088 535 A CA 0.680 52.612 52.037 -0.175 0.000 0.784 535 A CB -0.020 18.959 19.000 -0.036 0.000 1.038 535 A HN 1.330 nan 8.150 nan 0.000 0.501 536 A N 0.039 122.577 122.820 -0.470 0.000 2.534 536 A HA 0.748 5.068 4.320 0.000 0.000 0.300 536 A C -0.912 176.425 177.584 -0.412 0.000 1.223 536 A CA -0.561 51.177 52.037 -0.498 0.000 0.666 536 A CB 0.866 19.413 19.000 -0.754 0.000 1.316 536 A HN 0.858 nan 8.150 nan 0.000 0.468 537 Q N -0.331 119.399 119.800 -0.115 0.000 2.501 537 Q HA 0.512 4.852 4.340 0.000 0.000 0.288 537 Q C -1.368 174.852 176.000 0.366 0.000 1.051 537 Q CA -1.065 54.829 55.803 0.152 0.000 0.788 537 Q CB 2.024 30.802 28.738 0.067 0.000 1.469 537 Q HN 0.643 nan 8.270 nan 0.000 0.416 538 K N 1.087 121.671 120.400 0.308 0.000 3.451 538 K HA -0.220 4.100 4.320 0.000 0.000 0.273 538 K C -0.415 176.317 176.600 0.221 0.000 0.944 538 K CA 0.068 56.493 56.287 0.230 0.000 0.734 538 K CB -1.359 31.223 32.500 0.137 0.000 1.437 538 K HN 0.454 nan 8.250 nan 0.000 0.454 539 L N 1.526 122.828 121.223 0.132 0.000 2.540 539 L HA -0.041 4.299 4.340 0.000 0.000 0.276 539 L C 0.692 177.527 176.870 -0.058 0.000 1.212 539 L CA 0.774 55.469 54.840 -0.241 0.000 0.893 539 L CB 0.348 41.828 42.059 -0.965 0.000 1.138 539 L HN 0.311 nan 8.230 nan 0.000 0.491 540 K N 2.689 123.081 120.400 -0.013 0.000 2.971 540 K HA -0.310 4.010 4.320 0.000 0.000 0.265 540 K C 1.066 177.724 176.600 0.096 0.000 1.052 540 K CA 1.294 57.612 56.287 0.053 0.000 0.780 540 K CB -1.647 30.878 32.500 0.041 0.000 1.214 540 K HN 0.992 nan 8.250 nan 0.000 0.478 541 D N 1.099 121.556 120.400 0.096 0.000 2.149 541 D HA -0.176 4.465 4.640 0.000 0.000 0.198 541 D C 1.678 178.043 176.300 0.109 0.000 0.990 541 D CA 1.581 55.645 54.000 0.108 0.000 0.839 541 D CB 0.210 41.072 40.800 0.102 0.000 0.948 541 D HN 0.558 nan 8.370 nan 0.000 0.460 542 K N 0.150 120.607 120.400 0.095 0.000 2.057 542 K HA -0.165 4.155 4.320 0.000 0.000 0.206 542 K C 2.009 178.688 176.600 0.132 0.000 1.050 542 K CA 1.293 57.630 56.287 0.083 0.000 0.935 542 K CB 0.150 32.673 32.500 0.038 0.000 0.715 542 K HN -0.056 nan 8.250 nan 0.000 0.439 543 E N 0.194 120.504 120.200 0.183 0.000 2.107 543 E HA -0.106 4.244 4.350 0.000 0.000 0.191 543 E C 1.896 178.773 176.600 0.463 0.000 0.982 543 E CA 0.912 57.525 56.400 0.354 0.000 0.809 543 E CB -0.073 29.886 29.700 0.431 0.000 0.756 543 E HN 0.044 nan 8.360 nan 0.000 0.459 544 V N 1.225 121.325 119.914 0.309 0.000 2.332 544 V HA -0.317 3.803 4.120 0.000 0.000 0.248 544 V C 2.228 178.462 176.094 0.233 0.000 1.055 544 V CA 1.908 64.369 62.300 0.269 0.000 1.038 544 V CB -0.918 31.009 31.823 0.173 0.000 0.651 544 V HN 0.361 nan 8.190 nan 0.000 0.450 545 A N -0.232 122.697 122.820 0.181 0.000 1.865 545 A HA -0.264 4.056 4.320 0.000 0.000 0.217 545 A C 2.119 179.765 177.584 0.104 0.000 1.191 545 A CA 2.202 54.315 52.037 0.125 0.000 0.623 545 A CB -0.796 18.267 19.000 0.104 0.000 0.826 545 A HN 0.524 nan 8.150 nan 0.000 0.444 546 F N -0.664 119.266 119.950 -0.032 0.000 2.043 546 F HA -0.227 4.301 4.527 0.001 0.000 0.297 546 F C 2.033 177.680 175.800 -0.255 0.000 1.121 546 F CA 1.978 59.863 58.000 -0.191 0.000 1.199 546 F CB -0.775 38.027 39.000 -0.331 0.000 0.968 546 F HN 0.386 nan 8.300 nan 0.000 0.478 547 W N 0.384 121.585 121.300 -0.166 0.000 2.392 547 W HA -0.133 4.527 4.660 -0.000 0.000 0.279 547 W C 2.536 178.892 176.519 -0.271 0.000 1.225 547 W CA 1.537 58.642 57.345 -0.400 0.000 1.233 547 W CB -1.082 28.302 29.460 -0.127 0.000 1.122 547 W HN -0.094 nan 8.180 nan 0.000 0.561 548 T N 0.321 114.936 114.554 0.102 0.000 2.915 548 T HA -0.157 4.193 4.350 0.000 0.000 0.269 548 T C 1.441 176.151 174.700 0.016 0.000 1.071 548 T CA 1.432 63.599 62.100 0.111 0.000 1.132 548 T CB -0.243 68.685 68.868 0.100 0.000 0.878 548 T HN 0.146 nan 8.240 nan 0.000 0.479 549 N N 0.897 119.523 118.700 -0.124 0.000 2.278 549 N HA 0.099 4.839 4.740 0.000 0.000 0.181 549 N C 1.747 177.125 175.510 -0.220 0.000 1.023 549 N CA 0.386 53.345 53.050 -0.151 0.000 0.862 549 N CB -0.656 37.725 38.487 -0.176 0.000 1.003 549 N HN 0.193 nan 8.380 nan 0.000 0.431 550 L N 0.682 121.614 121.223 -0.486 0.000 2.013 550 L HA -0.055 4.285 4.340 0.000 0.000 0.212 550 L C 1.846 178.609 176.870 -0.178 0.000 1.073 550 L CA 1.589 56.126 54.840 -0.506 0.000 0.753 550 L CB -0.606 40.865 42.059 -0.980 0.000 0.890 550 L HN 0.082 nan 8.230 nan 0.000 0.432 551 F N -1.189 118.742 119.950 -0.032 0.000 2.502 551 F HA -0.046 4.481 4.527 -0.000 0.000 0.298 551 F C 2.168 177.969 175.800 0.002 0.000 1.111 551 F CA 0.176 58.192 58.000 0.026 0.000 1.445 551 F CB -0.284 38.750 39.000 0.057 0.000 1.081 551 F HN 0.192 nan 8.300 nan 0.000 0.558 552 A N 0.306 123.211 122.820 0.142 0.000 2.259 552 A HA 0.064 4.384 4.320 0.000 0.000 0.208 552 A C 0.883 178.499 177.584 0.053 0.000 1.201 552 A CA 0.138 52.223 52.037 0.079 0.000 0.824 552 A CB -0.533 18.490 19.000 0.038 0.000 0.838 552 A HN 0.360 nan 8.150 nan 0.000 0.485 553 K N 0.000 120.438 120.400 0.064 0.000 2.780 553 K HA 0.000 4.320 4.320 0.000 0.000 0.191 553 K CA 0.000 56.314 56.287 0.045 0.000 0.838 553 K CB 0.000 32.536 32.500 0.059 0.000 1.064 553 K HN 0.000 nan 8.250 nan 0.000 0.543