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 2hqm_1_B DATA FIRST_RESID 22 DATA SEQUENCE KHYDYLVIGG GSGGVASARR AASYGAKTLL VEAKALGGTc VNVGcVPKKV DATA SEQUENCE MWYASDLATR VSHANEYGLY QNLPLDKEHL TFNWPEFKQK RDAYVHRLNG DATA SEQUENCE IYQKNLEKEK VDVVFGWARF NKDGNVEVQK RDNTTEVYSA NHILVATGGK DATA SEQUENCE AIFPENIPGF ELGTDSDGFF RLEEQPKKVV VVGAGYIGIE LAGVFHGLGS DATA SEQUENCE ETHLVIRGET VLRKFDECIQ NTITDHYVKE GINVHKLSKI VKVEKNVXTD DATA SEQUENCE KLKIHMNDSK SIDDVDELIW TIGRKSHLGM GSENVGIKLN SHDQIIADEY DATA SEQUENCE QNTNVPNIYS LGDVVGKVEL TPVAIAAGRK LSNRLFGPEK FRNDKLDYEN DATA SEQUENCE VPSVIFSHPE AGSIGISEKE AIEKYGKENI KVYNSKFTAM YYAMLSEKSP DATA SEQUENCE TRYKIVCAGP NEKVVGLHIV GDSSAEILQG FGVAIKMGAT KADFDNCVAI DATA SEQUENCE HPTSAEELVT MR 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 22 K HA 0.000 nan 4.320 nan 0.000 0.191 22 K C 0.000 176.754 176.600 0.257 0.000 0.988 22 K CA 0.000 56.359 56.287 0.120 0.000 0.838 22 K CB 0.000 32.528 32.500 0.046 0.000 1.064 23 H N 0.322 119.412 119.070 0.034 0.000 2.489 23 H HA 0.450 5.006 4.556 0.001 0.000 0.343 23 H C -1.390 173.886 175.328 -0.087 0.000 1.086 23 H CA -0.355 55.736 56.048 0.072 0.000 1.198 23 H CB 0.829 30.612 29.762 0.036 0.000 1.490 23 H HN 0.114 nan 8.280 nan 0.000 0.504 24 Y N 1.928 121.938 120.300 -0.484 0.000 2.602 24 Y HA 0.131 4.681 4.550 0.001 0.000 0.342 24 Y C 1.211 176.965 175.900 -0.244 0.000 1.029 24 Y CA -0.820 57.146 58.100 -0.222 0.000 1.080 24 Y CB 1.406 39.795 38.460 -0.118 0.000 1.284 24 Y HN 0.567 nan 8.280 nan 0.000 0.485 25 D N -0.096 120.406 120.400 0.170 0.000 2.162 25 D HA -0.121 4.520 4.640 0.001 0.000 0.203 25 D C -0.571 175.987 176.300 0.429 0.000 0.967 25 D CA 1.801 55.952 54.000 0.251 0.000 0.840 25 D CB 0.309 41.196 40.800 0.145 0.000 0.972 25 D HN 0.273 nan 8.370 nan 0.000 0.482 26 Y N 0.402 120.787 120.300 0.142 0.000 2.386 26 Y HA 0.474 5.025 4.550 0.001 0.000 0.334 26 Y C -1.465 174.443 175.900 0.012 0.000 1.002 26 Y CA -1.268 56.934 58.100 0.171 0.000 1.068 26 Y CB 1.159 39.656 38.460 0.061 0.000 1.203 26 Y HN -0.241 nan 8.280 nan 0.000 0.443 27 L N 6.725 127.880 121.223 -0.112 0.000 2.349 27 L HA 0.775 5.115 4.340 0.001 0.000 0.278 27 L C -1.629 174.963 176.870 -0.463 0.000 0.996 27 L CA -0.813 53.820 54.840 -0.344 0.000 0.825 27 L CB 1.286 43.195 42.059 -0.250 0.000 1.243 27 L HN 0.454 nan 8.230 nan 0.000 0.412 28 V N 6.394 125.991 119.914 -0.529 0.000 2.384 28 V HA 0.385 4.505 4.120 0.001 0.000 0.287 28 V C 0.159 176.031 176.094 -0.370 0.000 1.020 28 V CA -0.365 61.656 62.300 -0.465 0.000 0.850 28 V CB 1.624 33.164 31.823 -0.471 0.000 0.987 28 V HN 0.572 nan 8.190 nan 0.000 0.436 29 I N 4.851 125.237 120.570 -0.307 0.000 2.291 29 I HA 0.677 4.848 4.170 0.001 0.000 0.290 29 I C 0.740 176.685 176.117 -0.286 0.000 1.050 29 I CA 0.174 61.275 61.300 -0.331 0.000 1.245 29 I CB 0.982 38.774 38.000 -0.347 0.000 1.405 29 I HN 0.867 nan 8.210 nan 0.000 0.478 30 G N 3.553 112.169 108.800 -0.306 0.000 3.305 30 G HA2 0.021 3.982 3.960 0.001 0.000 0.649 30 G HA3 0.021 3.982 3.960 0.001 0.000 0.649 30 G C 0.059 174.829 174.900 -0.218 0.000 1.255 30 G CA -0.583 44.365 45.100 -0.253 0.000 1.137 30 G HN 0.878 nan 8.290 nan 0.000 0.535 31 G N 0.599 109.269 108.800 -0.217 0.000 3.474 31 G HA2 0.592 4.552 3.960 0.001 0.000 0.269 31 G HA3 0.592 4.552 3.960 0.001 0.000 0.269 31 G C 0.962 175.759 174.900 -0.172 0.000 1.339 31 G CA 1.002 45.982 45.100 -0.200 0.000 1.258 31 G HN 1.177 nan 8.290 nan 0.000 0.560 32 G N -0.033 108.686 108.800 -0.135 0.000 2.630 32 G HA2 0.353 4.314 3.960 0.001 0.000 0.223 32 G HA3 0.353 4.314 3.960 0.001 0.000 0.223 32 G C 1.264 176.110 174.900 -0.091 0.000 1.434 32 G CA 0.440 45.470 45.100 -0.117 0.000 1.057 32 G HN 0.165 nan 8.290 nan 0.000 0.570 33 S N -0.202 115.467 115.700 -0.050 0.000 2.353 33 S HA -0.124 4.347 4.470 0.001 0.000 0.222 33 S C 2.453 177.058 174.600 0.008 0.000 1.035 33 S CA 1.765 59.960 58.200 -0.008 0.000 1.025 33 S CB -0.750 62.459 63.200 0.015 0.000 0.902 33 S HN 0.756 nan 8.310 nan 0.000 0.440 34 G N 0.934 109.739 108.800 0.009 0.000 2.394 34 G HA2 0.039 4.000 3.960 0.001 0.000 0.214 34 G HA3 0.039 4.000 3.960 0.001 0.000 0.214 34 G C 1.465 176.370 174.900 0.009 0.000 1.176 34 G CA 0.841 45.953 45.100 0.021 0.000 0.786 34 G HN 0.561 nan 8.290 nan 0.000 0.533 35 G N 0.519 109.302 108.800 -0.028 0.000 2.446 35 G HA2 -0.176 3.784 3.960 0.001 0.000 0.217 35 G HA3 -0.176 3.784 3.960 0.001 0.000 0.217 35 G C 1.794 176.659 174.900 -0.058 0.000 1.168 35 G CA 1.317 46.377 45.100 -0.067 0.000 0.771 35 G HN 0.308 nan 8.290 nan 0.000 0.551 36 V N 1.559 121.447 119.914 -0.043 0.000 2.261 36 V HA -0.124 3.996 4.120 0.001 0.000 0.246 36 V C 3.360 179.469 176.094 0.026 0.000 1.047 36 V CA 2.105 64.403 62.300 -0.004 0.000 1.015 36 V CB -0.935 30.920 31.823 0.053 0.000 0.642 36 V HN 0.488 nan 8.190 nan 0.000 0.446 37 A N -0.912 121.930 122.820 0.036 0.000 1.908 37 A HA -0.266 4.054 4.320 0.001 0.000 0.218 37 A C 2.555 180.159 177.584 0.034 0.000 1.181 37 A CA 2.486 54.541 52.037 0.030 0.000 0.627 37 A CB -0.820 18.195 19.000 0.026 0.000 0.818 37 A HN 0.476 nan 8.150 nan 0.000 0.445 38 S N -0.853 114.885 115.700 0.064 0.000 2.355 38 S HA 0.032 4.502 4.470 0.001 0.000 0.222 38 S C 2.235 176.967 174.600 0.221 0.000 1.031 38 S CA 1.406 59.694 58.200 0.146 0.000 0.993 38 S CB -0.499 62.816 63.200 0.192 0.000 0.859 38 S HN 0.810 nan 8.310 nan 0.000 0.453 39 A N 1.865 124.759 122.820 0.123 0.000 1.865 39 A HA -0.143 4.177 4.320 0.001 0.000 0.217 39 A C 2.199 179.817 177.584 0.058 0.000 1.191 39 A CA 1.689 53.778 52.037 0.086 0.000 0.623 39 A CB -0.695 18.271 19.000 -0.057 0.000 0.826 39 A HN 0.601 nan 8.150 nan 0.000 0.444 40 R N -1.402 119.106 120.500 0.012 0.000 2.091 40 R HA -0.148 4.193 4.340 0.001 0.000 0.238 40 R C 2.468 178.729 176.300 -0.065 0.000 1.136 40 R CA 1.624 57.707 56.100 -0.028 0.000 0.959 40 R CB -0.282 29.997 30.300 -0.034 0.000 0.856 40 R HN 0.419 nan 8.270 nan 0.000 0.437 41 R N 1.044 121.512 120.500 -0.052 0.000 2.096 41 R HA -0.031 4.310 4.340 0.001 0.000 0.235 41 R C 1.947 178.171 176.300 -0.126 0.000 1.127 41 R CA 1.796 57.812 56.100 -0.141 0.000 0.968 41 R CB -0.686 29.567 30.300 -0.079 0.000 0.861 41 R HN 0.249 nan 8.270 nan 0.000 0.440 42 A N 0.150 122.990 122.820 0.034 0.000 1.877 42 A HA -0.015 4.305 4.320 0.001 0.000 0.216 42 A C 2.359 179.886 177.584 -0.095 0.000 1.186 42 A CA 1.793 53.839 52.037 0.015 0.000 0.620 42 A CB -1.078 17.889 19.000 -0.055 0.000 0.822 42 A HN 0.447 nan 8.150 nan 0.000 0.443 43 A N 0.313 123.088 122.820 -0.075 0.000 1.933 43 A HA -0.086 4.235 4.320 0.001 0.000 0.218 43 A C 2.479 180.009 177.584 -0.090 0.000 1.175 43 A CA 2.251 54.242 52.037 -0.076 0.000 0.628 43 A CB -1.013 17.958 19.000 -0.049 0.000 0.814 43 A HN 1.087 nan 8.150 nan 0.000 0.444 44 S N -1.235 114.367 115.700 -0.163 0.000 2.419 44 S HA -0.210 4.260 4.470 0.001 0.000 0.235 44 S C 1.608 176.091 174.600 -0.195 0.000 1.019 44 S CA 1.468 59.529 58.200 -0.231 0.000 0.982 44 S CB -0.811 62.151 63.200 -0.398 0.000 0.789 44 S HN 0.667 nan 8.310 nan 0.000 0.490 45 Y N 1.987 122.267 120.300 -0.033 0.000 2.466 45 Y HA 0.370 4.921 4.550 0.001 0.000 0.272 45 Y C 1.393 177.276 175.900 -0.027 0.000 1.169 45 Y CA -0.179 57.915 58.100 -0.010 0.000 1.285 45 Y CB -0.007 38.468 38.460 0.026 0.000 1.078 45 Y HN 0.499 nan 8.280 nan 0.000 0.523 46 G N 1.325 110.165 108.800 0.066 0.000 3.316 46 G HA2 0.113 4.074 3.960 0.001 0.000 0.445 46 G HA3 0.113 4.074 3.960 0.001 0.000 0.445 46 G C -0.701 174.174 174.900 -0.042 0.000 1.002 46 G CA -0.180 44.931 45.100 0.019 0.000 0.818 46 G HN 0.683 nan 8.290 nan 0.000 0.404 47 A N 2.750 125.507 122.820 -0.106 0.000 2.511 47 A HA 0.687 5.007 4.320 0.001 0.000 0.292 47 A C -0.017 177.510 177.584 -0.095 0.000 1.045 47 A CA -0.056 51.854 52.037 -0.212 0.000 0.870 47 A CB 0.932 19.523 19.000 -0.681 0.000 1.361 47 A HN 1.186 nan 8.150 nan 0.000 0.396 48 K N 1.935 122.330 120.400 -0.008 0.000 2.402 48 K HA 0.298 4.618 4.320 0.001 0.000 0.279 48 K C -0.577 176.165 176.600 0.237 0.000 1.082 48 K CA 0.873 57.214 56.287 0.090 0.000 1.080 48 K CB 0.099 32.606 32.500 0.013 0.000 0.899 48 K HN 0.639 nan 8.250 nan 0.000 0.469 49 T N 4.908 119.596 114.554 0.224 0.000 2.841 49 T HA 0.352 4.703 4.350 0.001 0.000 0.283 49 T C -1.251 173.370 174.700 -0.132 0.000 1.000 49 T CA -0.741 61.410 62.100 0.086 0.000 0.977 49 T CB 1.166 70.049 68.868 0.026 0.000 0.979 49 T HN 0.410 nan 8.240 nan 0.000 0.446 50 L N 4.066 124.960 121.223 -0.548 0.000 2.341 50 L HA 0.806 5.147 4.340 0.001 0.000 0.278 50 L C -1.524 175.002 176.870 -0.574 0.000 1.005 50 L CA -0.936 53.402 54.840 -0.836 0.000 0.818 50 L CB 1.383 42.493 42.059 -1.581 0.000 1.259 50 L HN 0.561 nan 8.230 nan 0.000 0.418 51 L N 6.138 127.078 121.223 -0.472 0.000 2.333 51 L HA 0.730 5.071 4.340 0.001 0.000 0.280 51 L C -1.264 175.327 176.870 -0.466 0.000 1.004 51 L CA -0.317 54.272 54.840 -0.419 0.000 0.820 51 L CB 1.927 43.794 42.059 -0.320 0.000 1.247 51 L HN 0.411 nan 8.230 nan 0.000 0.416 52 V N 3.893 123.534 119.914 -0.455 0.000 2.409 52 V HA 0.645 4.765 4.120 0.001 0.000 0.291 52 V C -0.591 175.254 176.094 -0.415 0.000 1.020 52 V CA -0.580 61.450 62.300 -0.450 0.000 0.848 52 V CB 1.313 32.880 31.823 -0.427 0.000 0.990 52 V HN 0.784 nan 8.190 nan 0.000 0.430 53 E N 3.697 123.634 120.200 -0.438 0.000 2.224 53 E HA 0.731 5.081 4.350 0.001 0.000 0.265 53 E C 0.381 176.923 176.600 -0.096 0.000 0.878 53 E CA -0.097 56.120 56.400 -0.304 0.000 0.759 53 E CB 2.039 31.553 29.700 -0.310 0.000 1.164 53 E HN 0.606 nan 8.360 nan 0.000 0.414 54 A N 4.646 127.427 122.820 -0.065 0.000 2.021 54 A HA 0.079 4.399 4.320 0.001 0.000 0.216 54 A C 1.151 178.893 177.584 0.264 0.000 1.163 54 A CA 1.075 53.190 52.037 0.131 0.000 0.676 54 A CB 0.043 19.105 19.000 0.104 0.000 0.818 54 A HN 0.564 nan 8.150 nan 0.000 0.453 55 K N -1.826 118.706 120.400 0.218 0.000 3.332 55 K HA 0.599 4.920 4.320 0.001 0.000 0.254 55 K C -0.019 176.693 176.600 0.187 0.000 1.304 55 K CA 0.402 56.803 56.287 0.190 0.000 1.215 55 K CB 0.517 33.111 32.500 0.156 0.000 2.064 55 K HN 0.199 nan 8.250 nan 0.000 0.423 56 A N 1.313 124.210 122.820 0.129 0.000 2.414 56 A HA 0.561 4.881 4.320 0.001 0.000 0.306 56 A C -0.854 176.747 177.584 0.029 0.000 1.054 56 A CA -0.700 51.394 52.037 0.095 0.000 0.724 56 A CB 0.756 19.761 19.000 0.008 0.000 1.267 56 A HN 0.310 nan 8.150 nan 0.000 0.418 57 L N 1.502 122.740 121.223 0.025 0.000 2.456 57 L HA 0.418 4.758 4.340 0.001 0.000 0.272 57 L C 1.518 178.146 176.870 -0.404 0.000 1.189 57 L CA 1.459 56.208 54.840 -0.151 0.000 0.846 57 L CB 0.512 42.528 42.059 -0.073 0.000 1.111 57 L HN 1.370 nan 8.230 nan 0.000 0.475 58 G N 1.123 109.576 108.800 -0.579 0.000 2.213 58 G HA2 -0.067 3.893 3.960 0.001 0.000 0.226 58 G HA3 -0.067 3.893 3.960 0.001 0.000 0.226 58 G C 0.667 175.378 174.900 -0.314 0.000 0.992 58 G CA -0.108 44.569 45.100 -0.705 0.000 0.632 58 G HN 1.405 nan 8.290 nan 0.000 0.511 59 G N -0.677 108.001 108.800 -0.202 0.000 2.578 59 G HA2 -0.130 3.831 3.960 0.001 0.000 0.275 59 G HA3 -0.130 3.831 3.960 0.001 0.000 0.275 59 G C 1.101 175.964 174.900 -0.063 0.000 1.271 59 G CA 1.456 46.497 45.100 -0.098 0.000 0.941 59 G HN 1.328 nan 8.290 nan 0.000 0.564 60 T N -0.467 114.080 114.554 -0.012 0.000 2.684 60 T HA -0.226 4.124 4.350 0.001 0.000 0.267 60 T C 2.438 177.129 174.700 -0.016 0.000 1.036 60 T CA 2.512 64.621 62.100 0.015 0.000 1.148 60 T CB -0.688 68.216 68.868 0.060 0.000 0.863 60 T HN 0.911 nan 8.240 nan 0.000 0.436 61 c N 0.988 119.577 118.600 -0.018 0.000 2.413 61 c HA -0.059 4.511 4.570 0.001 0.000 0.278 61 c C 2.790 176.839 174.090 -0.068 0.000 1.224 61 c CA 0.741 57.061 56.329 -0.016 0.000 1.732 61 c CB -1.181 41.331 42.510 0.003 0.000 2.050 61 c HN 0.389 nan 8.230 nan 0.000 0.463 62 V N 1.853 121.703 119.914 -0.107 0.000 2.358 62 V HA -0.144 3.976 4.120 0.001 0.000 0.246 62 V C 2.269 178.262 176.094 -0.170 0.000 1.047 62 V CA 2.298 64.515 62.300 -0.138 0.000 1.035 62 V CB -0.683 31.018 31.823 -0.203 0.000 0.658 62 V HN 0.587 nan 8.190 nan 0.000 0.452 63 N N 0.314 118.918 118.700 -0.160 0.000 2.305 63 N HA -0.005 4.735 4.740 0.001 0.000 0.179 63 N C 1.052 176.405 175.510 -0.261 0.000 1.019 63 N CA 1.730 54.684 53.050 -0.160 0.000 0.869 63 N CB 0.785 39.220 38.487 -0.086 0.000 1.000 63 N HN 0.542 nan 8.380 nan 0.000 0.431 64 V N -3.201 116.558 119.914 -0.257 0.000 2.947 64 V HA 0.691 4.812 4.120 0.001 0.000 0.381 64 V C 0.282 176.263 176.094 -0.188 0.000 1.376 64 V CA -0.318 61.764 62.300 -0.362 0.000 1.292 64 V CB 0.565 32.429 31.823 0.068 0.000 1.295 64 V HN 0.159 nan 8.190 nan 0.000 0.617 65 G N -0.191 108.472 108.800 -0.228 0.000 3.321 65 G HA2 0.244 4.204 3.960 0.001 0.000 0.169 65 G HA3 0.244 4.204 3.960 0.001 0.000 0.169 65 G C 0.863 175.776 174.900 0.022 0.000 1.153 65 G CA 0.629 45.737 45.100 0.013 0.000 1.007 65 G HN 0.284 nan 8.290 nan 0.000 0.668 66 c N 0.193 118.826 118.600 0.055 0.000 2.385 66 c HA -0.050 4.520 4.570 0.001 0.000 0.275 66 c C 2.835 176.935 174.090 0.017 0.000 1.207 66 c CA 1.033 57.398 56.329 0.060 0.000 1.760 66 c CB -1.531 41.017 42.510 0.063 0.000 2.051 66 c HN 0.277 nan 8.230 nan 0.000 0.467 67 V N 2.943 122.854 119.914 -0.006 0.000 2.216 67 V HA -0.138 3.982 4.120 0.001 0.000 0.243 67 V C 0.301 176.423 176.094 0.047 0.000 1.044 67 V CA 2.698 65.014 62.300 0.027 0.000 0.995 67 V CB -2.028 29.790 31.823 -0.009 0.000 0.633 67 V HN 0.345 nan 8.190 nan 0.000 0.446 68 P HA -0.205 nan 4.420 nan 0.000 0.218 68 P C 1.407 178.874 177.300 0.278 0.000 1.148 68 P CA 1.867 64.967 63.100 0.000 0.000 0.822 68 P CB -0.082 31.367 31.700 -0.418 0.000 0.784 69 K N 0.223 120.793 120.400 0.284 0.000 2.097 69 K HA -0.118 4.202 4.320 0.001 0.000 0.206 69 K C 2.236 178.937 176.600 0.169 0.000 1.049 69 K CA 1.379 57.890 56.287 0.373 0.000 0.933 69 K CB -0.729 31.960 32.500 0.315 0.000 0.717 69 K HN -0.170 nan 8.250 nan 0.000 0.442 70 K N 0.928 121.335 120.400 0.013 0.000 2.103 70 K HA 0.016 4.337 4.320 0.001 0.000 0.204 70 K C 2.033 178.623 176.600 -0.016 0.000 1.052 70 K CA 1.059 57.218 56.287 -0.214 0.000 0.945 70 K CB -0.220 32.057 32.500 -0.373 0.000 0.722 70 K HN 0.143 nan 8.250 nan 0.000 0.443 71 V N 1.611 121.643 119.914 0.196 0.000 2.343 71 V HA -0.279 3.841 4.120 0.001 0.000 0.247 71 V C 2.517 178.863 176.094 0.421 0.000 1.051 71 V CA 1.473 63.995 62.300 0.370 0.000 1.036 71 V CB -0.386 31.618 31.823 0.301 0.000 0.654 71 V HN 0.276 nan 8.190 nan 0.000 0.451 72 M N -1.628 118.189 119.600 0.361 0.000 2.175 72 M HA -0.170 4.311 4.480 0.001 0.000 0.264 72 M C 2.001 178.368 176.300 0.112 0.000 1.063 72 M CA 1.551 57.011 55.300 0.267 0.000 1.119 72 M CB -1.226 31.548 32.600 0.290 0.000 1.377 72 M HN 0.628 nan 8.290 nan 0.000 0.415 73 W N 0.420 121.683 121.300 -0.062 0.000 2.338 73 W HA -0.239 4.422 4.660 0.000 0.000 0.304 73 W C 2.039 178.488 176.519 -0.117 0.000 1.212 73 W CA 1.642 58.903 57.345 -0.139 0.000 1.264 73 W CB -0.766 28.533 29.460 -0.268 0.000 1.142 73 W HN 0.205 nan 8.180 nan 0.000 0.512 74 Y N -0.018 120.344 120.300 0.104 0.000 2.224 74 Y HA -0.263 4.287 4.550 0.000 0.000 0.289 74 Y C 2.643 178.389 175.900 -0.256 0.000 1.146 74 Y CA 1.439 59.486 58.100 -0.088 0.000 1.182 74 Y CB -0.931 37.579 38.460 0.084 0.000 0.983 74 Y HN 0.041 nan 8.280 nan 0.000 0.524 75 A N -0.925 121.831 122.820 -0.107 0.000 1.877 75 A HA -0.235 4.085 4.320 0.001 0.000 0.216 75 A C 2.383 179.702 177.584 -0.441 0.000 1.186 75 A CA 1.918 53.731 52.037 -0.374 0.000 0.620 75 A CB -1.187 17.385 19.000 -0.714 0.000 0.822 75 A HN 0.387 nan 8.150 nan 0.000 0.443 76 S N -0.380 115.048 115.700 -0.453 0.000 2.359 76 S HA -0.247 4.223 4.470 0.001 0.000 0.224 76 S C 1.853 176.179 174.600 -0.456 0.000 1.035 76 S CA 2.060 59.991 58.200 -0.449 0.000 1.018 76 S CB -0.521 62.450 63.200 -0.383 0.000 0.876 76 S HN 0.658 nan 8.310 nan 0.000 0.448 77 D N 0.346 120.399 120.400 -0.578 0.000 2.097 77 D HA -0.079 4.562 4.640 0.001 0.000 0.195 77 D C 2.051 178.162 176.300 -0.314 0.000 0.989 77 D CA 1.203 54.876 54.000 -0.545 0.000 0.827 77 D CB -0.324 39.956 40.800 -0.866 0.000 0.966 77 D HN 0.404 nan 8.370 nan 0.000 0.456 78 L N -0.175 120.888 121.223 -0.268 0.000 2.093 78 L HA -0.106 4.234 4.340 0.001 0.000 0.208 78 L C 2.359 179.110 176.870 -0.200 0.000 1.085 78 L CA 1.188 55.915 54.840 -0.189 0.000 0.755 78 L CB -0.419 41.547 42.059 -0.155 0.000 0.904 78 L HN 0.145 nan 8.230 nan 0.000 0.435 79 A N -0.699 121.975 122.820 -0.243 0.000 1.892 79 A HA -0.250 4.071 4.320 0.001 0.000 0.218 79 A C 2.224 179.672 177.584 -0.227 0.000 1.188 79 A CA 2.517 54.419 52.037 -0.225 0.000 0.631 79 A CB -1.006 17.834 19.000 -0.267 0.000 0.822 79 A HN 0.452 nan 8.150 nan 0.000 0.447 80 T N -0.352 114.048 114.554 -0.256 0.000 2.746 80 T HA -0.127 4.223 4.350 0.001 0.000 0.267 80 T C 2.033 176.478 174.700 -0.425 0.000 1.039 80 T CA 1.491 63.430 62.100 -0.268 0.000 1.142 80 T CB -0.247 68.510 68.868 -0.184 0.000 0.866 80 T HN 0.537 nan 8.240 nan 0.000 0.444 81 R N 0.535 120.876 120.500 -0.265 0.000 2.096 81 R HA -0.027 4.314 4.340 0.001 0.000 0.235 81 R C 2.482 178.675 176.300 -0.179 0.000 1.127 81 R CA 0.928 56.922 56.100 -0.177 0.000 0.968 81 R CB -0.827 29.450 30.300 -0.039 0.000 0.861 81 R HN 0.246 nan 8.270 nan 0.000 0.440 82 V N 1.490 121.305 119.914 -0.164 0.000 2.392 82 V HA -0.249 3.871 4.120 0.001 0.000 0.249 82 V C 2.366 178.401 176.094 -0.099 0.000 1.059 82 V CA 2.166 64.399 62.300 -0.112 0.000 1.051 82 V CB -0.554 31.196 31.823 -0.122 0.000 0.658 82 V HN 0.472 nan 8.190 nan 0.000 0.455 83 S N -0.927 114.662 115.700 -0.184 0.000 2.595 83 S HA -0.165 4.305 4.470 0.001 0.000 0.235 83 S C 1.530 176.134 174.600 0.006 0.000 0.974 83 S CA 0.977 59.110 58.200 -0.112 0.000 0.942 83 S CB -0.475 62.646 63.200 -0.131 0.000 0.766 83 S HN 0.752 nan 8.310 nan 0.000 0.536 84 H N 0.248 119.389 119.070 0.117 0.000 2.648 84 H HA 0.517 5.074 4.556 0.002 0.000 0.265 84 H C 2.274 177.720 175.328 0.196 0.000 0.961 84 H CA 0.289 56.436 56.048 0.164 0.000 1.185 84 H CB -0.511 29.388 29.762 0.229 0.000 1.449 84 H HN 0.523 nan 8.280 nan 0.000 0.523 85 A N 1.763 124.725 122.820 0.236 0.000 1.877 85 A HA -0.202 4.118 4.320 0.001 0.000 0.216 85 A C 2.168 179.881 177.584 0.216 0.000 1.186 85 A CA 1.573 53.744 52.037 0.223 0.000 0.620 85 A CB -0.259 18.834 19.000 0.155 0.000 0.822 85 A HN 0.293 nan 8.150 nan 0.000 0.443 86 N N 0.086 118.880 118.700 0.156 0.000 2.104 86 N HA -0.172 4.568 4.740 0.001 0.000 0.190 86 N C 1.616 177.184 175.510 0.097 0.000 1.024 86 N CA 1.757 54.877 53.050 0.116 0.000 0.853 86 N CB -0.473 38.060 38.487 0.077 0.000 1.008 86 N HN 0.688 nan 8.380 nan 0.000 0.424 87 E N -0.593 119.665 120.200 0.096 0.000 2.150 87 E HA -0.114 4.237 4.350 0.001 0.000 0.193 87 E C 0.793 177.366 176.600 -0.046 0.000 0.985 87 E CA 0.544 56.951 56.400 0.012 0.000 0.814 87 E CB -0.116 29.571 29.700 -0.022 0.000 0.752 87 E HN 0.414 nan 8.360 nan 0.000 0.466 88 Y N 0.013 120.320 120.300 0.011 0.000 2.519 88 Y HA 0.058 4.609 4.550 0.002 0.000 0.311 88 Y C 1.459 177.367 175.900 0.013 0.000 1.207 88 Y CA 0.752 58.852 58.100 0.000 0.000 1.289 88 Y CB 0.304 38.775 38.460 0.019 0.000 1.059 88 Y HN 0.128 nan 8.280 nan 0.000 0.507 89 G N 0.101 108.963 108.800 0.105 0.000 2.162 89 G HA2 -0.292 3.668 3.960 0.001 0.000 0.260 89 G HA3 -0.292 3.668 3.960 0.001 0.000 0.260 89 G C -0.072 174.870 174.900 0.070 0.000 0.976 89 G CA 0.173 45.312 45.100 0.065 0.000 0.655 89 G HN 0.274 nan 8.290 nan 0.000 0.533 90 L N -1.215 120.082 121.223 0.122 0.000 2.322 90 L HA 0.619 4.960 4.340 0.001 0.000 0.279 90 L C 1.046 178.034 176.870 0.197 0.000 1.036 90 L CA -1.397 53.514 54.840 0.118 0.000 0.807 90 L CB 0.849 43.040 42.059 0.220 0.000 1.226 90 L HN 0.197 nan 8.230 nan 0.000 0.433 91 Y N 0.976 121.286 120.300 0.017 0.000 3.108 91 Y HA -0.287 4.264 4.550 0.000 0.000 0.208 91 Y C 1.492 177.391 175.900 -0.003 0.000 1.245 91 Y CA 0.429 58.532 58.100 0.004 0.000 1.171 91 Y CB -1.667 36.793 38.460 -0.001 0.000 1.331 91 Y HN 0.645 nan 8.280 nan 0.000 0.534 92 Q N -0.209 119.644 119.800 0.088 0.000 2.437 92 Q HA -0.144 4.196 4.340 0.001 0.000 0.210 92 Q C 1.367 177.389 176.000 0.037 0.000 0.972 92 Q CA 0.969 56.806 55.803 0.056 0.000 0.903 92 Q CB -0.026 28.729 28.738 0.029 0.000 0.967 92 Q HN 0.604 nan 8.270 nan 0.000 0.486 93 N N -0.297 118.429 118.700 0.044 0.000 2.467 93 N HA 0.001 4.742 4.740 0.001 0.000 0.184 93 N C -0.365 175.154 175.510 0.014 0.000 1.106 93 N CA 0.483 53.548 53.050 0.024 0.000 0.892 93 N CB 0.338 38.840 38.487 0.026 0.000 0.969 93 N HN 0.076 nan 8.380 nan 0.000 0.454 94 L N 1.800 123.040 121.223 0.029 0.000 2.325 94 L HA 0.400 4.741 4.340 0.001 0.000 0.278 94 L C -2.052 174.771 176.870 -0.079 0.000 1.023 94 L CA -2.407 52.420 54.840 -0.021 0.000 0.811 94 L CB 1.377 43.442 42.059 0.011 0.000 1.249 94 L HN -0.117 nan 8.230 nan 0.000 0.431 95 P HA 0.195 nan 4.420 nan 0.000 0.241 95 P C -0.533 176.632 177.300 -0.225 0.000 1.780 95 P CA -0.140 62.773 63.100 -0.312 0.000 1.111 95 P CB -0.074 31.158 31.700 -0.779 0.000 1.852 96 L N 3.705 124.875 121.223 -0.088 0.000 2.466 96 L HA 0.217 4.557 4.340 0.001 0.000 0.248 96 L C 0.377 177.245 176.870 -0.005 0.000 1.240 96 L CA -0.076 54.736 54.840 -0.045 0.000 1.180 96 L CB -0.523 41.513 42.059 -0.038 0.000 1.413 96 L HN 0.304 nan 8.230 nan 0.000 0.406 97 D N -1.563 118.857 120.400 0.033 0.000 2.566 97 D HA 0.164 4.804 4.640 0.001 0.000 0.254 97 D C 0.720 177.062 176.300 0.069 0.000 1.090 97 D CA -1.002 53.036 54.000 0.064 0.000 1.034 97 D CB 1.071 41.931 40.800 0.099 0.000 1.434 97 D HN -0.088 nan 8.370 nan 0.000 0.509 98 K N -0.445 119.977 120.400 0.037 0.000 2.103 98 K HA -0.238 4.082 4.320 0.001 0.000 0.207 98 K C 1.098 177.697 176.600 -0.001 0.000 1.048 98 K CA 1.590 57.876 56.287 -0.003 0.000 0.930 98 K CB -0.013 32.477 32.500 -0.018 0.000 0.716 98 K HN 0.409 nan 8.250 nan 0.000 0.444 99 E N -0.426 119.790 120.200 0.027 0.000 2.150 99 E HA -0.143 4.208 4.350 0.001 0.000 0.193 99 E C 1.225 177.712 176.600 -0.188 0.000 0.985 99 E CA 1.345 57.701 56.400 -0.074 0.000 0.814 99 E CB -0.021 29.628 29.700 -0.086 0.000 0.752 99 E HN 0.510 nan 8.360 nan 0.000 0.466 100 H N -0.578 118.481 119.070 -0.018 0.000 2.551 100 H HA 0.232 4.788 4.556 0.001 0.000 0.271 100 H C 0.137 175.453 175.328 -0.020 0.000 0.984 100 H CA -0.292 55.746 56.048 -0.017 0.000 1.164 100 H CB 0.185 29.938 29.762 -0.015 0.000 1.437 100 H HN 0.053 nan 8.280 nan 0.000 0.550 101 L N 2.910 124.164 121.223 0.053 0.000 2.559 101 L HA 0.040 4.381 4.340 0.001 0.000 0.274 101 L C -0.063 176.826 176.870 0.031 0.000 1.205 101 L CA 0.655 55.508 54.840 0.020 0.000 0.907 101 L CB 0.119 42.165 42.059 -0.023 0.000 1.153 101 L HN 0.339 nan 8.230 nan 0.000 0.490 102 T N 2.021 116.608 114.554 0.054 0.000 2.893 102 T HA 0.528 4.879 4.350 0.001 0.000 0.293 102 T C -0.893 173.902 174.700 0.159 0.000 1.027 102 T CA -0.677 61.473 62.100 0.083 0.000 0.988 102 T CB 1.934 70.832 68.868 0.050 0.000 1.043 102 T HN 0.370 nan 8.240 nan 0.000 0.461 103 F N 2.865 122.820 119.950 0.008 0.000 2.536 103 F HA 0.532 5.060 4.527 0.001 0.000 0.322 103 F C -0.553 175.293 175.800 0.078 0.000 1.144 103 F CA -1.374 56.633 58.000 0.011 0.000 0.924 103 F CB 1.876 40.890 39.000 0.023 0.000 1.181 103 F HN 0.675 nan 8.300 nan 0.000 0.438 104 N N 6.673 125.040 118.700 -0.556 0.000 2.807 104 N HA -0.045 4.695 4.740 0.001 0.000 0.259 104 N C 1.015 176.160 175.510 -0.609 0.000 1.149 104 N CA -0.088 52.723 53.050 -0.397 0.000 1.042 104 N CB -0.133 38.222 38.487 -0.219 0.000 1.367 104 N HN 0.903 nan 8.380 nan 0.000 0.516 105 W N 4.329 125.249 121.300 -0.633 0.000 2.335 105 W HA -0.078 4.582 4.660 0.000 0.000 0.311 105 W C -1.292 175.150 176.519 -0.128 0.000 1.213 105 W CA 1.444 58.575 57.345 -0.357 0.000 1.274 105 W CB -1.204 28.263 29.460 0.011 0.000 1.148 105 W HN 0.435 nan 8.180 nan 0.000 0.498 106 P HA -0.222 nan 4.420 nan 0.000 0.214 106 P C 1.592 178.909 177.300 0.028 0.000 1.163 106 P CA 2.582 65.768 63.100 0.144 0.000 0.883 106 P CB -0.412 31.344 31.700 0.093 0.000 0.788 107 E N -1.534 118.654 120.200 -0.020 0.000 2.077 107 E HA -0.204 4.147 4.350 0.001 0.000 0.193 107 E C 1.824 178.402 176.600 -0.036 0.000 0.989 107 E CA 0.837 57.218 56.400 -0.032 0.000 0.800 107 E CB -0.486 29.192 29.700 -0.037 0.000 0.746 107 E HN 0.083 nan 8.360 nan 0.000 0.452 108 F N 1.797 121.608 119.950 -0.231 0.000 2.234 108 F HA -0.104 4.423 4.527 0.001 0.000 0.299 108 F C 2.232 177.945 175.800 -0.145 0.000 1.087 108 F CA 1.188 59.070 58.000 -0.196 0.000 1.340 108 F CB -0.046 38.796 39.000 -0.263 0.000 1.031 108 F HN -0.127 nan 8.300 nan 0.000 0.500 109 K N 0.144 120.457 120.400 -0.146 0.000 2.063 109 K HA -0.193 4.128 4.320 0.001 0.000 0.208 109 K C 1.955 178.476 176.600 -0.132 0.000 1.048 109 K CA 1.523 57.720 56.287 -0.150 0.000 0.928 109 K CB -0.267 32.211 32.500 -0.037 0.000 0.713 109 K HN 0.301 nan 8.250 nan 0.000 0.442 110 Q N 0.820 120.561 119.800 -0.098 0.000 2.084 110 Q HA -0.147 4.194 4.340 0.001 0.000 0.202 110 Q C 2.053 177.984 176.000 -0.115 0.000 0.978 110 Q CA 1.491 57.246 55.803 -0.081 0.000 0.844 110 Q CB -0.282 28.423 28.738 -0.055 0.000 0.898 110 Q HN 0.365 nan 8.270 nan 0.000 0.426 111 K N 0.427 120.716 120.400 -0.185 0.000 2.057 111 K HA -0.104 4.216 4.320 0.001 0.000 0.207 111 K C 2.248 178.725 176.600 -0.204 0.000 1.049 111 K CA 0.903 57.070 56.287 -0.200 0.000 0.931 111 K CB -0.131 32.205 32.500 -0.272 0.000 0.714 111 K HN 0.058 nan 8.250 nan 0.000 0.440 112 R N 1.118 121.417 120.500 -0.335 0.000 2.081 112 R HA -0.162 4.178 4.340 0.001 0.000 0.235 112 R C 1.420 177.699 176.300 -0.035 0.000 1.131 112 R CA 1.879 57.855 56.100 -0.206 0.000 0.960 112 R CB -0.051 30.089 30.300 -0.267 0.000 0.856 112 R HN 0.154 nan 8.270 nan 0.000 0.436 113 D N 0.032 120.403 120.400 -0.049 0.000 2.144 113 D HA -0.096 4.544 4.640 0.001 0.000 0.200 113 D C 1.684 177.999 176.300 0.026 0.000 0.978 113 D CA 1.345 55.342 54.000 -0.006 0.000 0.833 113 D CB -0.203 40.589 40.800 -0.013 0.000 0.961 113 D HN 0.343 nan 8.370 nan 0.000 0.470 114 A N 0.275 123.102 122.820 0.012 0.000 1.902 114 A HA -0.233 4.088 4.320 0.001 0.000 0.217 114 A C 2.196 179.857 177.584 0.129 0.000 1.181 114 A CA 1.257 53.321 52.037 0.045 0.000 0.623 114 A CB -1.016 17.991 19.000 0.011 0.000 0.818 114 A HN 0.308 nan 8.150 nan 0.000 0.443 115 Y N 0.748 121.036 120.300 -0.020 0.000 2.145 115 Y HA -0.160 4.391 4.550 0.001 0.000 0.286 115 Y C 2.366 178.278 175.900 0.020 0.000 1.145 115 Y CA 1.635 59.731 58.100 -0.006 0.000 1.148 115 Y CB -0.621 37.819 38.460 -0.035 0.000 0.981 115 Y HN 0.056 nan 8.280 nan 0.000 0.507 116 V N 0.398 120.247 119.914 -0.108 0.000 2.343 116 V HA -0.330 3.791 4.120 0.001 0.000 0.247 116 V C 2.561 178.601 176.094 -0.090 0.000 1.051 116 V CA 2.358 64.545 62.300 -0.189 0.000 1.036 116 V CB -0.952 30.806 31.823 -0.108 0.000 0.654 116 V HN 0.566 nan 8.190 nan 0.000 0.451 117 H N 0.488 119.509 119.070 -0.081 0.000 2.352 117 H HA -0.137 4.420 4.556 0.001 0.000 0.299 117 H C 2.619 177.925 175.328 -0.037 0.000 1.097 117 H CA 1.930 57.949 56.048 -0.048 0.000 1.311 117 H CB 0.152 29.897 29.762 -0.028 0.000 1.377 117 H HN 0.327 nan 8.280 nan 0.000 0.504 118 R N 0.010 120.534 120.500 0.042 0.000 2.081 118 R HA -0.099 4.241 4.340 0.001 0.000 0.235 118 R C 2.776 179.040 176.300 -0.059 0.000 1.131 118 R CA 1.132 57.237 56.100 0.008 0.000 0.960 118 R CB -0.141 30.203 30.300 0.074 0.000 0.856 118 R HN 0.323 nan 8.270 nan 0.000 0.436 119 L N 0.522 121.672 121.223 -0.123 0.000 2.083 119 L HA -0.204 4.137 4.340 0.001 0.000 0.209 119 L C 1.804 178.736 176.870 0.103 0.000 1.083 119 L CA 1.513 56.321 54.840 -0.054 0.000 0.752 119 L CB -0.633 41.340 42.059 -0.144 0.000 0.899 119 L HN 0.329 nan 8.230 nan 0.000 0.433 120 N N -0.061 118.625 118.700 -0.023 0.000 2.069 120 N HA -0.174 4.566 4.740 0.001 0.000 0.191 120 N C 1.934 177.446 175.510 0.004 0.000 1.031 120 N CA 1.118 54.153 53.050 -0.026 0.000 0.852 120 N CB -0.400 37.990 38.487 -0.161 0.000 1.018 120 N HN 0.371 nan 8.380 nan 0.000 0.423 121 G N 1.594 110.336 108.800 -0.097 0.000 2.446 121 G HA2 -0.233 3.727 3.960 0.001 0.000 0.217 121 G HA3 -0.233 3.727 3.960 0.001 0.000 0.217 121 G C 1.493 176.387 174.900 -0.011 0.000 1.168 121 G CA 0.707 45.766 45.100 -0.068 0.000 0.771 121 G HN 0.205 nan 8.290 nan 0.000 0.551 122 I N -0.767 119.794 120.570 -0.016 0.000 2.163 122 I HA -0.212 3.958 4.170 0.001 0.000 0.243 122 I C 2.512 178.584 176.117 -0.075 0.000 1.085 122 I CA 1.131 62.395 61.300 -0.059 0.000 1.347 122 I CB -0.337 37.597 38.000 -0.110 0.000 1.044 122 I HN 0.127 nan 8.210 nan 0.000 0.408 123 Y N 0.671 120.938 120.300 -0.055 0.000 2.097 123 Y HA -0.329 4.221 4.550 0.001 0.000 0.282 123 Y C 2.856 178.735 175.900 -0.035 0.000 1.152 123 Y CA 1.949 60.020 58.100 -0.047 0.000 1.136 123 Y CB -0.513 37.917 38.460 -0.050 0.000 0.975 123 Y HN 0.160 nan 8.280 nan 0.000 0.498 124 Q N 0.233 120.121 119.800 0.146 0.000 2.135 124 Q HA -0.268 4.072 4.340 0.001 0.000 0.204 124 Q C 2.234 178.260 176.000 0.042 0.000 0.981 124 Q CA 1.874 57.733 55.803 0.093 0.000 0.856 124 Q CB -0.081 28.718 28.738 0.103 0.000 0.902 124 Q HN 0.376 nan 8.270 nan 0.000 0.425 125 K N -0.193 120.218 120.400 0.018 0.000 2.025 125 K HA -0.139 4.181 4.320 0.001 0.000 0.207 125 K C 1.690 178.278 176.600 -0.019 0.000 1.049 125 K CA 1.490 57.774 56.287 -0.005 0.000 0.933 125 K CB 0.111 32.600 32.500 -0.018 0.000 0.714 125 K HN 0.194 nan 8.250 nan 0.000 0.438 126 N N 0.958 119.634 118.700 -0.041 0.000 2.084 126 N HA -0.156 4.584 4.740 0.001 0.000 0.190 126 N C 1.856 177.344 175.510 -0.035 0.000 1.030 126 N CA 1.178 54.193 53.050 -0.058 0.000 0.849 126 N CB -0.312 38.108 38.487 -0.110 0.000 1.012 126 N HN 0.170 nan 8.380 nan 0.000 0.423 127 L N 1.256 122.470 121.223 -0.015 0.000 2.046 127 L HA -0.145 4.196 4.340 0.001 0.000 0.208 127 L C 2.170 179.028 176.870 -0.019 0.000 1.077 127 L CA 1.237 56.067 54.840 -0.017 0.000 0.747 127 L CB -0.397 41.654 42.059 -0.014 0.000 0.896 127 L HN 0.189 nan 8.230 nan 0.000 0.432 128 E N 0.017 120.212 120.200 -0.008 0.000 2.077 128 E HA -0.266 4.084 4.350 0.001 0.000 0.193 128 E C 2.157 178.753 176.600 -0.007 0.000 0.989 128 E CA 1.171 57.569 56.400 -0.003 0.000 0.800 128 E CB -0.025 29.680 29.700 0.008 0.000 0.746 128 E HN 0.307 nan 8.360 nan 0.000 0.452 129 K N 0.741 121.132 120.400 -0.014 0.000 2.288 129 K HA -0.122 4.199 4.320 0.001 0.000 0.201 129 K C 1.100 177.686 176.600 -0.023 0.000 1.048 129 K CA 0.915 57.191 56.287 -0.018 0.000 0.956 129 K CB 0.226 32.711 32.500 -0.024 0.000 0.746 129 K HN 0.038 nan 8.250 nan 0.000 0.461 130 E N 0.135 120.318 120.200 -0.029 0.000 2.463 130 E HA 0.038 4.388 4.350 0.001 0.000 0.193 130 E C -0.723 175.860 176.600 -0.028 0.000 1.041 130 E CA -0.045 56.334 56.400 -0.036 0.000 0.879 130 E CB 0.457 30.128 29.700 -0.048 0.000 0.997 130 E HN 0.064 nan 8.360 nan 0.000 0.478 131 K N 0.199 120.589 120.400 -0.017 0.000 3.244 131 K HA -0.148 4.173 4.320 0.001 0.000 0.270 131 K C -1.187 175.412 176.600 -0.002 0.000 1.016 131 K CA 0.055 56.339 56.287 -0.005 0.000 0.754 131 K CB -1.327 31.172 32.500 -0.002 0.000 1.326 131 K HN -0.027 nan 8.250 nan 0.000 0.465 132 V N 1.378 121.282 119.914 -0.016 0.000 2.435 132 V HA 0.184 4.304 4.120 0.001 0.000 0.290 132 V C 0.329 176.400 176.094 -0.039 0.000 1.030 132 V CA -0.759 61.522 62.300 -0.032 0.000 0.881 132 V CB 1.686 33.473 31.823 -0.060 0.000 0.983 132 V HN 0.175 nan 8.190 nan 0.000 0.445 133 D N 3.210 123.590 120.400 -0.033 0.000 2.350 133 D HA 0.393 5.033 4.640 0.001 0.000 0.249 133 D C -0.376 175.821 176.300 -0.173 0.000 1.119 133 D CA 0.189 54.160 54.000 -0.048 0.000 0.886 133 D CB 1.752 42.580 40.800 0.047 0.000 1.195 133 D HN 0.247 nan 8.370 nan 0.000 0.437 134 V N 2.767 122.585 119.914 -0.160 0.000 2.448 134 V HA 0.447 4.567 4.120 0.001 0.000 0.295 134 V C 0.027 175.947 176.094 -0.290 0.000 1.025 134 V CA -0.765 61.368 62.300 -0.277 0.000 0.859 134 V CB 2.007 33.675 31.823 -0.258 0.000 0.988 134 V HN 0.232 nan 8.190 nan 0.000 0.431 135 V N 4.766 124.429 119.914 -0.418 0.000 2.656 135 V HA 0.545 4.665 4.120 0.001 0.000 0.307 135 V C -0.947 174.887 176.094 -0.432 0.000 1.051 135 V CA -0.589 61.534 62.300 -0.295 0.000 0.893 135 V CB 2.069 33.756 31.823 -0.226 0.000 0.999 135 V HN 0.689 nan 8.190 nan 0.000 0.426 136 F N 2.825 122.747 119.950 -0.048 0.000 2.404 136 F HA 0.835 5.362 4.527 0.001 0.000 0.354 136 F C 0.823 176.625 175.800 0.004 0.000 1.122 136 F CA 0.155 58.136 58.000 -0.031 0.000 1.080 136 F CB 1.821 40.816 39.000 -0.008 0.000 1.131 136 F HN 0.723 nan 8.300 nan 0.000 0.471 137 G N 2.219 111.104 108.800 0.142 0.000 2.316 137 G HA2 0.055 4.015 3.960 0.001 0.000 0.296 137 G HA3 0.055 4.015 3.960 0.001 0.000 0.296 137 G C -2.347 172.628 174.900 0.124 0.000 1.399 137 G CA -1.066 44.130 45.100 0.160 0.000 0.833 137 G HN 0.494 nan 8.290 nan 0.000 0.565 138 W N 1.644 122.949 121.300 0.009 0.000 2.358 138 W HA 0.582 5.243 4.660 0.001 0.000 0.307 138 W C 0.299 176.788 176.519 -0.049 0.000 1.203 138 W CA 0.024 57.358 57.345 -0.018 0.000 1.279 138 W CB 1.180 30.643 29.460 0.005 0.000 1.264 138 W HN 0.769 nan 8.180 nan 0.000 0.474 139 A N 6.313 128.911 122.820 -0.369 0.000 2.310 139 A HA 0.723 5.044 4.320 0.001 0.000 0.299 139 A C -0.513 176.914 177.584 -0.262 0.000 1.147 139 A CA -0.541 51.322 52.037 -0.290 0.000 0.818 139 A CB 1.015 19.773 19.000 -0.402 0.000 1.096 139 A HN 0.771 nan 8.150 nan 0.000 0.495 140 R N 1.208 121.604 120.500 -0.173 0.000 2.643 140 R HA 0.597 4.938 4.340 0.001 0.000 0.269 140 R C -2.026 174.182 176.300 -0.153 0.000 1.037 140 R CA -0.625 55.411 56.100 -0.106 0.000 0.894 140 R CB 0.687 31.049 30.300 0.103 0.000 1.238 140 R HN 0.393 nan 8.270 nan 0.000 0.459 141 F N 2.623 122.591 119.950 0.030 0.000 2.443 141 F HA 0.254 4.782 4.527 0.001 0.000 0.353 141 F C 0.748 176.571 175.800 0.039 0.000 1.101 141 F CA 0.112 58.129 58.000 0.028 0.000 1.226 141 F CB 0.844 39.854 39.000 0.016 0.000 1.140 141 F HN 0.721 nan 8.300 nan 0.000 0.557 142 N N 1.626 120.462 118.700 0.228 0.000 2.478 142 N HA 0.273 5.014 4.740 0.001 0.000 0.275 142 N C 0.288 175.877 175.510 0.132 0.000 1.221 142 N CA -0.770 52.368 53.050 0.146 0.000 0.979 142 N CB 0.629 39.177 38.487 0.102 0.000 1.202 142 N HN 0.438 nan 8.380 nan 0.000 0.564 143 K N -0.790 119.662 120.400 0.086 0.000 2.152 143 K HA -0.104 4.216 4.320 0.001 0.000 0.206 143 K C 0.224 176.856 176.600 0.053 0.000 1.048 143 K CA 1.461 57.783 56.287 0.059 0.000 0.933 143 K CB -0.182 32.344 32.500 0.043 0.000 0.721 143 K HN 0.548 nan 8.250 nan 0.000 0.447 144 D N -0.434 120.004 120.400 0.064 0.000 2.310 144 D HA -0.064 4.576 4.640 0.001 0.000 0.212 144 D C 1.268 177.610 176.300 0.071 0.000 0.965 144 D CA 1.287 55.323 54.000 0.059 0.000 0.879 144 D CB 0.268 41.104 40.800 0.061 0.000 0.921 144 D HN 0.476 nan 8.370 nan 0.000 0.510 145 G N 0.481 109.341 108.800 0.100 0.000 2.159 145 G HA2 -0.222 3.738 3.960 0.001 0.000 0.227 145 G HA3 -0.222 3.738 3.960 0.001 0.000 0.227 145 G C 0.313 175.341 174.900 0.214 0.000 0.986 145 G CA -0.324 44.849 45.100 0.121 0.000 0.651 145 G HN 0.187 nan 8.290 nan 0.000 0.523 146 N N -0.633 118.184 118.700 0.194 0.000 2.448 146 N HA 0.617 5.357 4.740 0.001 0.000 0.274 146 N C -0.044 175.567 175.510 0.168 0.000 1.239 146 N CA -0.102 53.058 53.050 0.182 0.000 0.982 146 N CB 1.525 40.092 38.487 0.132 0.000 1.199 146 N HN 0.126 nan 8.380 nan 0.000 0.576 147 V N 0.923 120.890 119.914 0.089 0.000 2.350 147 V HA 0.234 4.354 4.120 0.001 0.000 0.285 147 V C -0.119 176.009 176.094 0.058 0.000 1.014 147 V CA -0.697 61.580 62.300 -0.039 0.000 0.831 147 V CB 1.009 32.730 31.823 -0.171 0.000 1.000 147 V HN 0.486 nan 8.190 nan 0.000 0.433 148 E N 3.603 123.822 120.200 0.031 0.000 2.229 148 E HA 0.479 4.829 4.350 0.001 0.000 0.283 148 E C -1.029 175.611 176.600 0.066 0.000 1.030 148 E CA -0.493 55.947 56.400 0.066 0.000 0.836 148 E CB 2.190 31.926 29.700 0.060 0.000 1.068 148 E HN 0.424 nan 8.360 nan 0.000 0.401 149 V N 3.997 123.986 119.914 0.124 0.000 2.350 149 V HA 0.086 4.206 4.120 0.001 0.000 0.285 149 V C -0.114 176.056 176.094 0.127 0.000 1.014 149 V CA -0.711 61.655 62.300 0.110 0.000 0.831 149 V CB 1.256 33.160 31.823 0.136 0.000 1.000 149 V HN 0.650 nan 8.190 nan 0.000 0.433 150 Q N 3.788 123.672 119.800 0.140 0.000 2.323 150 Q HA 0.283 4.624 4.340 0.001 0.000 0.257 150 Q C -0.326 175.760 176.000 0.142 0.000 1.022 150 Q CA -0.275 55.609 55.803 0.134 0.000 0.919 150 Q CB 1.178 30.001 28.738 0.142 0.000 1.220 150 Q HN 0.530 nan 8.270 nan 0.000 0.427 151 K N 1.093 121.565 120.400 0.121 0.000 2.120 151 K HA 0.150 4.470 4.320 0.001 0.000 0.245 151 K C 0.693 177.363 176.600 0.116 0.000 1.024 151 K CA -0.107 56.256 56.287 0.126 0.000 0.906 151 K CB 0.596 33.166 32.500 0.116 0.000 1.051 151 K HN 0.309 nan 8.250 nan 0.000 0.491 152 R N 0.738 121.312 120.500 0.124 0.000 2.356 152 R HA -0.004 4.336 4.340 0.001 0.000 0.234 152 R C -0.104 176.236 176.300 0.067 0.000 0.929 152 R CA 0.473 56.629 56.100 0.094 0.000 1.084 152 R CB 0.093 30.448 30.300 0.092 0.000 1.105 152 R HN 0.633 nan 8.270 nan 0.000 0.515 153 D N -2.030 118.413 120.400 0.072 0.000 2.469 153 D HA -0.005 4.635 4.640 0.001 0.000 0.213 153 D C -0.096 176.234 176.300 0.049 0.000 1.135 153 D CA -0.227 53.807 54.000 0.056 0.000 0.834 153 D CB 0.126 40.962 40.800 0.061 0.000 1.009 153 D HN -0.016 nan 8.370 nan 0.000 0.507 154 N N -0.864 117.869 118.700 0.055 0.000 2.926 154 N HA -0.177 4.563 4.740 0.001 0.000 0.249 154 N C 0.583 176.120 175.510 0.045 0.000 1.100 154 N CA 1.456 54.534 53.050 0.047 0.000 0.777 154 N CB -1.732 36.776 38.487 0.035 0.000 1.112 154 N HN 0.431 nan 8.380 nan 0.000 0.552 155 T N -5.702 108.884 114.554 0.053 0.000 3.046 155 T HA 0.214 4.564 4.350 0.001 0.000 0.242 155 T C 0.385 175.109 174.700 0.041 0.000 1.018 155 T CA 0.919 63.045 62.100 0.043 0.000 1.131 155 T CB 0.093 68.987 68.868 0.043 0.000 0.904 155 T HN 0.410 nan 8.240 nan 0.000 0.459 156 T N 1.907 116.495 114.554 0.056 0.000 1.377 156 T HA -0.103 4.248 4.350 0.001 0.000 0.677 156 T C -0.694 174.017 174.700 0.018 0.000 0.963 156 T CA 0.274 62.405 62.100 0.052 0.000 3.590 156 T CB -1.111 67.781 68.868 0.041 0.000 2.055 156 T HN 0.734 nan 8.240 nan 0.000 0.401 157 E N 1.299 121.507 120.200 0.013 0.000 2.244 157 E HA 0.690 5.041 4.350 0.001 0.000 0.266 157 E C -0.539 175.956 176.600 -0.175 0.000 0.914 157 E CA -0.969 55.350 56.400 -0.134 0.000 0.794 157 E CB 1.570 31.123 29.700 -0.244 0.000 1.210 157 E HN 0.383 nan 8.360 nan 0.000 0.414 158 V N 3.271 123.018 119.914 -0.278 0.000 2.513 158 V HA 0.401 4.522 4.120 0.001 0.000 0.299 158 V C -1.200 174.714 176.094 -0.299 0.000 1.035 158 V CA -0.527 61.680 62.300 -0.155 0.000 0.889 158 V CB 0.944 32.736 31.823 -0.051 0.000 0.988 158 V HN 0.576 nan 8.190 nan 0.000 0.440 159 Y N 1.523 121.846 120.300 0.038 0.000 2.536 159 Y HA 0.689 5.240 4.550 0.001 0.000 0.347 159 Y C 0.436 176.380 175.900 0.075 0.000 1.000 159 Y CA -0.714 57.429 58.100 0.072 0.000 1.051 159 Y CB 2.391 40.874 38.460 0.038 0.000 1.259 159 Y HN 0.664 nan 8.280 nan 0.000 0.468 160 S N 0.849 116.715 115.700 0.276 0.000 2.600 160 S HA 1.003 5.474 4.470 0.001 0.000 0.300 160 S C -0.918 173.702 174.600 0.033 0.000 1.087 160 S CA -0.633 57.691 58.200 0.206 0.000 0.965 160 S CB 2.219 65.602 63.200 0.305 0.000 1.089 160 S HN 1.113 nan 8.310 nan 0.000 0.496 161 A N 1.074 123.887 122.820 -0.012 0.000 2.605 161 A HA 0.654 4.974 4.320 0.001 0.000 0.294 161 A C -0.052 177.548 177.584 0.028 0.000 1.062 161 A CA -0.891 51.053 52.037 -0.155 0.000 0.682 161 A CB 0.634 19.649 19.000 0.024 0.000 1.278 161 A HN 0.669 nan 8.150 nan 0.000 0.410 162 N N 0.741 119.466 118.700 0.042 0.000 2.354 162 N HA 0.025 4.766 4.740 0.001 0.000 0.179 162 N C -0.258 175.051 175.510 -0.336 0.000 1.021 162 N CA 1.195 54.199 53.050 -0.077 0.000 0.887 162 N CB -0.038 38.405 38.487 -0.074 0.000 0.974 162 N HN 0.681 nan 8.380 nan 0.000 0.437 163 H N -0.733 118.561 119.070 0.374 0.000 2.856 163 H HA 0.435 4.992 4.556 0.001 0.000 0.355 163 H C -0.571 175.075 175.328 0.530 0.000 1.079 163 H CA -0.497 55.870 56.048 0.532 0.000 1.240 163 H CB 1.896 32.040 29.762 0.637 0.000 1.701 163 H HN -0.148 nan 8.280 nan 0.000 0.527 164 I N 3.547 124.460 120.570 0.571 0.000 2.499 164 I HA 0.120 4.291 4.170 0.001 0.000 0.288 164 I C -0.868 175.481 176.117 0.388 0.000 1.048 164 I CA -0.784 60.720 61.300 0.341 0.000 1.062 164 I CB 2.447 40.622 38.000 0.292 0.000 1.238 164 I HN 0.177 nan 8.210 nan 0.000 0.426 165 L N 8.310 129.644 121.223 0.186 0.000 2.296 165 L HA 0.588 4.929 4.340 0.001 0.000 0.286 165 L C -0.887 176.020 176.870 0.062 0.000 1.023 165 L CA -0.361 54.595 54.840 0.193 0.000 0.812 165 L CB 1.679 43.791 42.059 0.088 0.000 1.223 165 L HN 0.320 nan 8.230 nan 0.000 0.421 166 V N 5.665 125.646 119.914 0.113 0.000 2.311 166 V HA 0.688 4.808 4.120 0.001 0.000 0.275 166 V C 0.458 176.570 176.094 0.031 0.000 1.022 166 V CA 0.019 62.352 62.300 0.056 0.000 0.830 166 V CB 0.773 32.671 31.823 0.125 0.000 1.012 166 V HN 0.928 nan 8.190 nan 0.000 0.452 167 A N 2.903 125.704 122.820 -0.032 0.000 3.297 167 A HA 0.464 4.784 4.320 0.001 0.000 0.304 167 A C 1.019 178.562 177.584 -0.069 0.000 0.963 167 A CA 0.143 52.166 52.037 -0.023 0.000 0.935 167 A CB 0.242 19.231 19.000 -0.018 0.000 1.093 167 A HN 0.776 nan 8.150 nan 0.000 0.480 168 T N -2.537 111.970 114.554 -0.079 0.000 3.129 168 T HA 0.447 4.797 4.350 0.001 0.000 0.251 168 T C 1.292 175.980 174.700 -0.020 0.000 1.117 168 T CA 0.878 62.890 62.100 -0.148 0.000 1.034 168 T CB -0.214 68.493 68.868 -0.269 0.000 0.968 168 T HN 2.048 nan 8.240 nan 0.000 0.526 169 G N 0.392 109.219 108.800 0.046 0.000 2.598 169 G HA2 0.217 4.177 3.960 0.001 0.000 0.244 169 G HA3 0.217 4.177 3.960 0.001 0.000 0.244 169 G C 0.081 175.086 174.900 0.175 0.000 1.302 169 G CA -0.375 44.789 45.100 0.106 0.000 0.903 169 G HN 1.109 nan 8.290 nan 0.000 0.575 170 G N -1.083 107.822 108.800 0.175 0.000 3.211 170 G HA2 0.986 4.947 3.960 0.001 0.000 0.262 170 G HA3 0.986 4.947 3.960 0.001 0.000 0.262 170 G C -0.555 174.420 174.900 0.124 0.000 1.352 170 G CA 0.292 45.489 45.100 0.162 0.000 1.004 170 G HN 1.667 nan 8.290 nan 0.000 0.559 171 K N -1.966 118.482 120.400 0.081 0.000 2.610 171 K HA 0.658 4.979 4.320 0.001 0.000 0.278 171 K C -0.690 175.956 176.600 0.077 0.000 0.964 171 K CA -0.771 55.548 56.287 0.052 0.000 0.859 171 K CB 1.379 33.853 32.500 -0.044 0.000 1.434 171 K HN 0.951 nan 8.250 nan 0.000 0.410 172 A N 2.487 125.365 122.820 0.096 0.000 2.483 172 A HA 0.337 4.658 4.320 0.001 0.000 0.238 172 A C -0.026 177.598 177.584 0.065 0.000 1.070 172 A CA -0.333 51.735 52.037 0.051 0.000 0.770 172 A CB -0.259 18.745 19.000 0.008 0.000 1.008 172 A HN 0.596 nan 8.150 nan 0.000 0.497 173 I N 1.374 121.933 120.570 -0.018 0.000 2.396 173 I HA 0.278 4.449 4.170 0.001 0.000 0.292 173 I C -0.685 175.335 176.117 -0.162 0.000 0.999 173 I CA 0.075 61.367 61.300 -0.013 0.000 1.310 173 I CB 0.813 38.791 38.000 -0.036 0.000 1.404 173 I HN 0.511 nan 8.210 nan 0.000 0.496 174 F N 6.739 126.615 119.950 -0.124 0.000 2.443 174 F HA 0.387 4.915 4.527 0.001 0.000 0.335 174 F C -1.792 173.698 175.800 -0.517 0.000 1.104 174 F CA -2.153 55.680 58.000 -0.278 0.000 1.013 174 F CB 1.310 40.261 39.000 -0.082 0.000 1.136 174 F HN 0.290 nan 8.300 nan 0.000 0.470 175 P HA 0.145 nan 4.420 nan 0.000 0.231 175 P C -0.230 176.569 177.300 -0.836 0.000 1.811 175 P CA 0.025 62.739 63.100 -0.642 0.000 1.051 175 P CB 0.199 31.439 31.700 -0.767 0.000 1.951 176 E N 1.516 121.133 120.200 -0.973 0.000 2.401 176 E HA -0.144 4.206 4.350 0.001 0.000 0.199 176 E C 1.547 177.768 176.600 -0.633 0.000 1.023 176 E CA 0.632 56.185 56.400 -1.412 0.000 0.859 176 E CB -0.088 29.103 29.700 -0.848 0.000 0.780 176 E HN 0.483 nan 8.360 nan 0.000 0.523 177 N N 0.904 119.376 118.700 -0.379 0.000 2.515 177 N HA -0.088 4.652 4.740 0.001 0.000 0.185 177 N C 0.324 175.784 175.510 -0.084 0.000 1.109 177 N CA 0.487 53.433 53.050 -0.173 0.000 0.903 177 N CB 0.149 38.558 38.487 -0.129 0.000 0.969 177 N HN 0.155 nan 8.380 nan 0.000 0.450 178 I N 1.901 122.420 120.570 -0.085 0.000 2.330 178 I HA 0.285 4.455 4.170 0.001 0.000 0.289 178 I C -2.424 173.840 176.117 0.244 0.000 1.001 178 I CA -2.304 59.041 61.300 0.074 0.000 1.193 178 I CB 1.542 39.585 38.000 0.072 0.000 1.345 178 I HN -0.328 nan 8.210 nan 0.000 0.461 179 P HA 0.079 nan 4.420 nan 0.000 0.263 179 P C 0.864 178.289 177.300 0.209 0.000 1.195 179 P CA 0.611 63.825 63.100 0.189 0.000 0.762 179 P CB 0.656 32.420 31.700 0.107 0.000 0.799 180 G N 3.183 112.086 108.800 0.171 0.000 2.176 180 G HA2 -0.357 3.603 3.960 0.001 0.000 0.253 180 G HA3 -0.357 3.603 3.960 0.001 0.000 0.253 180 G C 0.672 175.688 174.900 0.194 0.000 0.979 180 G CA 0.276 45.453 45.100 0.129 0.000 0.641 180 G HN 0.555 nan 8.290 nan 0.000 0.530 181 F N 2.005 122.091 119.950 0.228 0.000 2.161 181 F HA -0.049 4.479 4.527 0.001 0.000 0.300 181 F C 2.244 178.315 175.800 0.450 0.000 1.089 181 F CA 1.773 59.986 58.000 0.355 0.000 1.282 181 F CB -0.322 38.677 39.000 -0.002 0.000 1.010 181 F HN 0.306 nan 8.300 nan 0.000 0.485 182 E N 2.046 121.740 120.200 -0.842 0.000 2.409 182 E HA -0.176 4.175 4.350 0.001 0.000 0.198 182 E C 1.813 178.356 176.600 -0.095 0.000 1.024 182 E CA 1.074 57.114 56.400 -0.599 0.000 0.861 182 E CB -1.049 28.181 29.700 -0.782 0.000 0.788 182 E HN 0.636 nan 8.360 nan 0.000 0.521 183 L N 0.695 121.927 121.223 0.015 0.000 2.551 183 L HA 0.128 4.468 4.340 0.001 0.000 0.228 183 L C 1.313 178.246 176.870 0.105 0.000 1.153 183 L CA 0.529 55.398 54.840 0.050 0.000 0.851 183 L CB -0.167 41.912 42.059 0.033 0.000 0.959 183 L HN 0.091 nan 8.230 nan 0.000 0.451 184 G N -1.018 107.943 108.800 0.268 0.000 2.568 184 G HA2 0.583 4.544 3.960 0.001 0.000 0.313 184 G HA3 0.583 4.544 3.960 0.001 0.000 0.313 184 G C -0.437 174.725 174.900 0.437 0.000 1.227 184 G CA -0.200 45.008 45.100 0.180 0.000 0.979 184 G HN -0.016 nan 8.290 nan 0.000 0.486 185 T N -0.942 113.800 114.554 0.314 0.000 2.797 185 T HA 0.697 5.047 4.350 0.001 0.000 0.267 185 T C -0.569 174.330 174.700 0.332 0.000 0.986 185 T CA -0.551 61.815 62.100 0.442 0.000 0.999 185 T CB 1.465 70.506 68.868 0.289 0.000 1.508 185 T HN 0.665 nan 8.240 nan 0.000 0.595 186 D N -1.211 119.358 120.400 0.282 0.000 2.654 186 D HA 0.367 5.008 4.640 0.001 0.000 0.255 186 D C 1.390 177.794 176.300 0.173 0.000 1.101 186 D CA -0.362 53.708 54.000 0.116 0.000 1.116 186 D CB 0.196 41.022 40.800 0.044 0.000 1.348 186 D HN 0.460 nan 8.370 nan 0.000 0.609 187 S N -0.740 115.038 115.700 0.130 0.000 2.400 187 S HA -0.231 4.239 4.470 0.001 0.000 0.232 187 S C 1.087 175.856 174.600 0.282 0.000 1.025 187 S CA 1.380 59.660 58.200 0.134 0.000 0.993 187 S CB -0.613 62.646 63.200 0.098 0.000 0.808 187 S HN 0.434 nan 8.310 nan 0.000 0.478 188 D N 2.271 122.864 120.400 0.321 0.000 2.123 188 D HA 0.011 4.651 4.640 0.001 0.000 0.196 188 D C 2.218 178.729 176.300 0.352 0.000 0.992 188 D CA 1.460 55.691 54.000 0.385 0.000 0.833 188 D CB -1.095 39.878 40.800 0.289 0.000 0.954 188 D HN 0.550 nan 8.370 nan 0.000 0.455 189 G N -0.079 108.895 108.800 0.290 0.000 2.422 189 G HA2 -0.291 3.670 3.960 0.001 0.000 0.218 189 G HA3 -0.291 3.670 3.960 0.001 0.000 0.218 189 G C 1.506 176.544 174.900 0.230 0.000 1.146 189 G CA 0.503 45.752 45.100 0.247 0.000 0.769 189 G HN 0.296 nan 8.290 nan 0.000 0.547 190 F N 1.053 121.041 119.950 0.063 0.000 2.091 190 F HA -0.086 4.442 4.527 0.001 0.000 0.299 190 F C 2.076 177.859 175.800 -0.028 0.000 1.103 190 F CA 1.469 59.447 58.000 -0.038 0.000 1.228 190 F CB -0.227 38.586 39.000 -0.313 0.000 0.984 190 F HN 0.115 nan 8.300 nan 0.000 0.477 191 F N 0.436 120.540 119.950 0.256 0.000 2.502 191 F HA 0.066 4.593 4.527 0.001 0.000 0.298 191 F C 2.307 178.160 175.800 0.089 0.000 1.111 191 F CA 0.841 58.921 58.000 0.133 0.000 1.445 191 F CB -0.663 38.467 39.000 0.217 0.000 1.081 191 F HN -0.104 nan 8.300 nan 0.000 0.558 192 R N -0.212 120.436 120.500 0.246 0.000 2.240 192 R HA 0.111 4.452 4.340 0.001 0.000 0.203 192 R C 0.488 176.882 176.300 0.155 0.000 1.011 192 R CA -0.045 56.165 56.100 0.183 0.000 1.007 192 R CB -0.169 30.228 30.300 0.163 0.000 0.911 192 R HN 0.192 nan 8.270 nan 0.000 0.468 193 L N 2.019 123.329 121.223 0.144 0.000 2.601 193 L HA -0.096 4.244 4.340 0.001 0.000 0.277 193 L C 1.141 178.196 176.870 0.309 0.000 1.219 193 L CA 0.681 55.608 54.840 0.145 0.000 0.915 193 L CB 0.431 42.539 42.059 0.082 0.000 1.160 193 L HN 0.200 nan 8.230 nan 0.000 0.494 194 E N 1.864 122.168 120.200 0.175 0.000 2.431 194 E HA 0.086 4.436 4.350 0.001 0.000 0.200 194 E C -0.154 176.553 176.600 0.179 0.000 0.995 194 E CA 0.152 56.685 56.400 0.222 0.000 0.915 194 E CB 0.719 30.488 29.700 0.114 0.000 0.930 194 E HN 0.560 nan 8.360 nan 0.000 0.496 195 E N 0.972 121.093 120.200 -0.132 0.000 2.312 195 E HA 0.197 4.547 4.350 0.001 0.000 0.267 195 E C -0.940 175.106 176.600 -0.922 0.000 0.894 195 E CA -0.574 55.627 56.400 -0.331 0.000 0.773 195 E CB 1.855 31.450 29.700 -0.176 0.000 1.241 195 E HN -0.039 nan 8.360 nan 0.000 0.432 196 Q N 2.734 122.017 119.800 -0.862 0.000 2.288 196 Q HA 0.239 4.579 4.340 0.001 0.000 0.258 196 Q C -2.054 173.667 176.000 -0.463 0.000 0.957 196 Q CA -1.611 53.625 55.803 -0.944 0.000 0.919 196 Q CB 0.657 29.239 28.738 -0.261 0.000 1.185 196 Q HN 0.118 nan 8.270 nan 0.000 0.408 197 P HA 0.018 nan 4.420 nan 0.000 0.276 197 P C -0.556 176.617 177.300 -0.211 0.000 1.230 197 P CA -0.003 62.922 63.100 -0.292 0.000 0.776 197 P CB 1.226 32.717 31.700 -0.349 0.000 0.888 198 K N 2.515 122.821 120.400 -0.155 0.000 2.167 198 K HA -0.032 4.288 4.320 0.001 0.000 0.203 198 K C 0.572 177.110 176.600 -0.104 0.000 1.052 198 K CA 0.951 57.175 56.287 -0.104 0.000 0.956 198 K CB 0.197 32.650 32.500 -0.079 0.000 0.735 198 K HN 0.318 nan 8.250 nan 0.000 0.451 199 K N 1.014 121.334 120.400 -0.134 0.000 2.545 199 K HA 0.249 4.569 4.320 0.001 0.000 0.252 199 K C -1.742 174.744 176.600 -0.190 0.000 0.948 199 K CA -0.715 55.506 56.287 -0.109 0.000 0.827 199 K CB 1.971 34.427 32.500 -0.073 0.000 1.128 199 K HN -0.124 nan 8.250 nan 0.000 0.429 200 V N 2.942 122.726 119.914 -0.217 0.000 2.680 200 V HA 0.538 4.659 4.120 0.001 0.000 0.309 200 V C -0.601 175.387 176.094 -0.177 0.000 1.052 200 V CA -1.050 61.042 62.300 -0.347 0.000 0.908 200 V CB 1.800 33.146 31.823 -0.794 0.000 1.001 200 V HN 0.440 nan 8.190 nan 0.000 0.431 201 V N 3.993 123.788 119.914 -0.199 0.000 2.487 201 V HA 0.551 4.672 4.120 0.001 0.000 0.298 201 V C -0.381 175.623 176.094 -0.150 0.000 1.028 201 V CA -0.520 61.698 62.300 -0.137 0.000 0.860 201 V CB 1.989 33.678 31.823 -0.224 0.000 0.991 201 V HN 0.668 nan 8.190 nan 0.000 0.427 202 V N 5.558 125.441 119.914 -0.053 0.000 2.495 202 V HA 0.536 4.657 4.120 0.001 0.000 0.298 202 V C -0.337 175.746 176.094 -0.017 0.000 1.031 202 V CA -0.600 61.687 62.300 -0.022 0.000 0.871 202 V CB 2.085 33.957 31.823 0.082 0.000 0.988 202 V HN 0.603 nan 8.190 nan 0.000 0.432 203 V N 3.543 123.434 119.914 -0.038 0.000 2.409 203 V HA 0.983 5.103 4.120 0.001 0.000 0.291 203 V C 0.410 176.567 176.094 0.104 0.000 1.020 203 V CA 0.174 62.497 62.300 0.037 0.000 0.848 203 V CB 1.006 32.860 31.823 0.052 0.000 0.990 203 V HN 1.302 nan 8.190 nan 0.000 0.430 204 G N 3.602 112.462 108.800 0.100 0.000 2.627 204 G HA2 0.390 4.350 3.960 0.001 0.000 0.680 204 G HA3 0.390 4.350 3.960 0.001 0.000 0.680 204 G C -0.035 174.911 174.900 0.076 0.000 1.341 204 G CA -0.097 45.056 45.100 0.089 0.000 0.835 204 G HN 1.253 nan 8.290 nan 0.000 0.643 205 A N 0.608 123.471 122.820 0.072 0.000 2.308 205 A HA 0.692 5.013 4.320 0.001 0.000 0.217 205 A C 1.669 179.301 177.584 0.080 0.000 1.216 205 A CA 1.501 53.579 52.037 0.068 0.000 0.864 205 A CB -0.229 18.809 19.000 0.063 0.000 0.902 205 A HN 2.215 nan 8.150 nan 0.000 0.499 206 G N -1.290 107.560 108.800 0.083 0.000 2.684 206 G HA2 0.217 4.177 3.960 0.001 0.000 0.255 206 G HA3 0.217 4.177 3.960 0.001 0.000 0.255 206 G C 0.662 175.630 174.900 0.113 0.000 1.219 206 G CA 0.226 45.398 45.100 0.121 0.000 0.901 206 G HN 0.660 nan 8.290 nan 0.000 0.548 207 Y N -0.817 119.544 120.300 0.102 0.000 2.293 207 Y HA -0.001 4.550 4.550 0.001 0.000 0.291 207 Y C 2.309 178.241 175.900 0.053 0.000 1.137 207 Y CA 1.106 59.235 58.100 0.048 0.000 1.202 207 Y CB -0.354 38.148 38.460 0.070 0.000 0.990 207 Y HN 0.253 nan 8.280 nan 0.000 0.537 208 I N 1.319 121.504 120.570 -0.642 0.000 2.179 208 I HA -0.214 3.956 4.170 0.001 0.000 0.242 208 I C 2.801 178.816 176.117 -0.169 0.000 1.088 208 I CA 1.639 62.654 61.300 -0.474 0.000 1.357 208 I CB -0.915 36.804 38.000 -0.470 0.000 1.051 208 I HN 0.483 nan 8.210 nan 0.000 0.409 209 G N 0.840 109.583 108.800 -0.095 0.000 2.422 209 G HA2 -0.209 3.752 3.960 0.001 0.000 0.218 209 G HA3 -0.209 3.752 3.960 0.001 0.000 0.218 209 G C 1.568 176.512 174.900 0.072 0.000 1.146 209 G CA 0.543 45.640 45.100 -0.005 0.000 0.769 209 G HN 0.200 nan 8.290 nan 0.000 0.547 210 I N 1.031 121.657 120.570 0.094 0.000 2.286 210 I HA -0.087 4.084 4.170 0.001 0.000 0.248 210 I C 2.659 178.940 176.117 0.273 0.000 1.115 210 I CA 1.135 62.548 61.300 0.189 0.000 1.392 210 I CB -0.289 37.738 38.000 0.044 0.000 1.065 210 I HN 0.277 nan 8.210 nan 0.000 0.418 211 E N -0.017 120.285 120.200 0.169 0.000 2.047 211 E HA -0.170 4.181 4.350 0.001 0.000 0.191 211 E C 2.328 178.977 176.600 0.082 0.000 0.987 211 E CA 1.089 57.600 56.400 0.185 0.000 0.799 211 E CB -0.233 29.562 29.700 0.159 0.000 0.752 211 E HN 0.415 nan 8.360 nan 0.000 0.449 212 L N 0.676 121.854 121.223 -0.074 0.000 2.083 212 L HA -0.178 4.163 4.340 0.001 0.000 0.209 212 L C 2.625 179.498 176.870 0.006 0.000 1.083 212 L CA 0.941 55.617 54.840 -0.274 0.000 0.752 212 L CB -0.567 41.242 42.059 -0.417 0.000 0.899 212 L HN 0.154 nan 8.230 nan 0.000 0.433 213 A N 0.546 123.463 122.820 0.162 0.000 1.877 213 A HA -0.131 4.190 4.320 0.001 0.000 0.216 213 A C 2.430 180.090 177.584 0.125 0.000 1.186 213 A CA 1.756 53.930 52.037 0.228 0.000 0.620 213 A CB -1.292 17.838 19.000 0.216 0.000 0.822 213 A HN 0.432 nan 8.150 nan 0.000 0.443 214 G N -0.600 108.255 108.800 0.091 0.000 2.440 214 G HA2 -0.155 3.805 3.960 0.001 0.000 0.218 214 G HA3 -0.155 3.805 3.960 0.001 0.000 0.218 214 G C 1.537 176.471 174.900 0.056 0.000 1.154 214 G CA 1.324 46.443 45.100 0.030 0.000 0.767 214 G HN 0.322 nan 8.290 nan 0.000 0.552 215 V N 0.161 120.108 119.914 0.054 0.000 2.270 215 V HA -0.101 4.019 4.120 0.001 0.000 0.245 215 V C 2.479 178.570 176.094 -0.005 0.000 1.043 215 V CA 1.706 63.984 62.300 -0.037 0.000 1.014 215 V CB -0.656 31.111 31.823 -0.092 0.000 0.645 215 V HN 0.403 nan 8.190 nan 0.000 0.447 216 F N -0.439 119.585 119.950 0.123 0.000 2.091 216 F HA -0.287 4.241 4.527 0.000 0.000 0.299 216 F C 2.605 178.426 175.800 0.034 0.000 1.103 216 F CA 2.229 60.315 58.000 0.142 0.000 1.228 216 F CB -0.414 38.674 39.000 0.147 0.000 0.984 216 F HN 0.280 nan 8.300 nan 0.000 0.477 217 H N -0.062 119.076 119.070 0.113 0.000 2.357 217 H HA -0.073 4.484 4.556 0.001 0.000 0.301 217 H C 2.339 177.608 175.328 -0.100 0.000 1.082 217 H CA 1.416 57.446 56.048 -0.031 0.000 1.342 217 H CB -0.524 29.158 29.762 -0.133 0.000 1.389 217 H HN 0.314 nan 8.280 nan 0.000 0.511 218 G N 0.658 109.373 108.800 -0.142 0.000 2.470 218 G HA2 -0.130 3.831 3.960 0.001 0.000 0.220 218 G HA3 -0.130 3.831 3.960 0.001 0.000 0.220 218 G C 1.691 176.417 174.900 -0.291 0.000 1.121 218 G CA 0.339 45.277 45.100 -0.271 0.000 0.766 218 G HN 0.382 nan 8.290 nan 0.000 0.553 219 L N -0.285 120.801 121.223 -0.229 0.000 2.607 219 L HA 0.324 4.665 4.340 0.001 0.000 0.228 219 L C 1.942 178.756 176.870 -0.092 0.000 1.123 219 L CA 0.495 55.189 54.840 -0.244 0.000 0.890 219 L CB 0.377 42.236 42.059 -0.333 0.000 1.103 219 L HN 0.354 nan 8.230 nan 0.000 0.468 220 G N -1.030 107.691 108.800 -0.132 0.000 2.201 220 G HA2 -0.230 3.730 3.960 0.001 0.000 0.212 220 G HA3 -0.230 3.730 3.960 0.001 0.000 0.212 220 G C 0.286 175.147 174.900 -0.064 0.000 0.994 220 G CA -0.030 45.003 45.100 -0.111 0.000 0.644 220 G HN 0.247 nan 8.290 nan 0.000 0.508 221 S N 0.867 116.570 115.700 0.006 0.000 2.549 221 S HA 0.403 4.873 4.470 0.001 0.000 0.279 221 S C 0.346 174.936 174.600 -0.016 0.000 1.321 221 S CA -0.251 57.952 58.200 0.004 0.000 1.054 221 S CB 1.719 64.938 63.200 0.031 0.000 0.899 221 S HN 0.478 nan 8.310 nan 0.000 0.497 222 E N 1.971 122.158 120.200 -0.022 0.000 2.415 222 E HA 0.058 4.408 4.350 0.001 0.000 0.260 222 E C -0.815 175.796 176.600 0.017 0.000 1.016 222 E CA 0.287 56.690 56.400 0.006 0.000 0.924 222 E CB 0.345 30.065 29.700 0.033 0.000 0.961 222 E HN 0.462 nan 8.360 nan 0.000 0.459 223 T N 5.355 119.903 114.554 -0.010 0.000 2.824 223 T HA 0.336 4.686 4.350 0.001 0.000 0.282 223 T C -0.896 173.720 174.700 -0.140 0.000 0.993 223 T CA -0.697 61.398 62.100 -0.008 0.000 0.967 223 T CB 0.862 69.775 68.868 0.075 0.000 0.960 223 T HN 0.400 nan 8.240 nan 0.000 0.441 224 H N 1.954 121.032 119.070 0.014 0.000 2.572 224 H HA 0.598 5.155 4.556 0.001 0.000 0.359 224 H C -1.182 174.196 175.328 0.084 0.000 1.134 224 H CA -0.827 55.277 56.048 0.093 0.000 1.187 224 H CB 2.583 32.411 29.762 0.109 0.000 1.597 224 H HN 0.279 nan 8.280 nan 0.000 0.524 225 L N 3.344 124.717 121.223 0.251 0.000 2.406 225 L HA 0.329 4.669 4.340 0.001 0.000 0.272 225 L C -1.323 175.674 176.870 0.212 0.000 0.980 225 L CA -0.650 54.300 54.840 0.184 0.000 0.831 225 L CB 1.559 43.723 42.059 0.175 0.000 1.253 225 L HN 0.319 nan 8.230 nan 0.000 0.406 226 V N 6.586 126.582 119.914 0.136 0.000 2.370 226 V HA 0.586 4.706 4.120 0.001 0.000 0.283 226 V C -0.000 176.161 176.094 0.112 0.000 1.023 226 V CA -0.425 61.949 62.300 0.124 0.000 0.857 226 V CB 1.337 33.182 31.823 0.038 0.000 0.985 226 V HN 0.734 nan 8.190 nan 0.000 0.443 227 I N 1.794 122.434 120.570 0.116 0.000 2.769 227 I HA 0.646 4.816 4.170 0.001 0.000 0.298 227 I C 0.839 177.006 176.117 0.084 0.000 1.128 227 I CA -0.882 60.474 61.300 0.093 0.000 1.031 227 I CB 2.291 40.338 38.000 0.079 0.000 1.235 227 I HN 0.262 nan 8.210 nan 0.000 0.423 228 R N 3.218 123.761 120.500 0.072 0.000 2.115 228 R HA 0.151 4.491 4.340 0.001 0.000 0.230 228 R C 0.887 177.217 176.300 0.051 0.000 1.111 228 R CA 1.093 57.230 56.100 0.061 0.000 0.976 228 R CB -0.480 29.852 30.300 0.053 0.000 0.870 228 R HN 0.911 nan 8.270 nan 0.000 0.445 229 G N -0.073 108.755 108.800 0.047 0.000 2.828 229 G HA2 0.164 4.124 3.960 0.001 0.000 0.244 229 G HA3 0.164 4.124 3.960 0.001 0.000 0.244 229 G C 0.348 175.269 174.900 0.035 0.000 1.365 229 G CA -0.400 44.722 45.100 0.037 0.000 1.041 229 G HN -0.050 nan 8.290 nan 0.000 0.560 230 E N -0.988 119.227 120.200 0.025 0.000 2.442 230 E HA 0.076 4.426 4.350 0.001 0.000 0.195 230 E C 0.469 177.078 176.600 0.014 0.000 1.030 230 E CA 0.517 56.929 56.400 0.019 0.000 0.869 230 E CB 0.627 30.335 29.700 0.013 0.000 0.857 230 E HN 0.235 nan 8.360 nan 0.000 0.505 231 T N 0.167 114.730 114.554 0.015 0.000 2.900 231 T HA 0.385 4.736 4.350 0.001 0.000 0.303 231 T C -0.505 174.199 174.700 0.008 0.000 1.142 231 T CA -0.761 61.341 62.100 0.004 0.000 1.007 231 T CB 1.623 70.490 68.868 -0.002 0.000 1.156 231 T HN -0.071 nan 8.240 nan 0.000 0.490 232 V N 2.484 122.389 119.914 -0.016 0.000 3.295 232 V HA 0.627 4.747 4.120 0.001 0.000 0.308 232 V C 0.707 176.803 176.094 0.002 0.000 1.068 232 V CA -0.794 61.497 62.300 -0.015 0.000 1.062 232 V CB 0.100 31.878 31.823 -0.076 0.000 1.162 232 V HN 1.126 nan 8.190 nan 0.000 0.456 233 L N -0.228 121.019 121.223 0.040 0.000 3.713 233 L HA -0.162 4.178 4.340 0.001 0.000 0.499 233 L C 1.569 178.570 176.870 0.218 0.000 1.281 233 L CA 0.162 55.084 54.840 0.138 0.000 0.796 233 L CB -1.020 41.010 42.059 -0.049 0.000 1.535 233 L HN 0.806 nan 8.230 nan 0.000 0.851 234 R N 0.703 121.292 120.500 0.148 0.000 2.237 234 R HA -0.078 4.263 4.340 0.001 0.000 0.219 234 R C 1.658 178.006 176.300 0.079 0.000 1.080 234 R CA 1.161 57.317 56.100 0.094 0.000 0.995 234 R CB -0.129 30.206 30.300 0.058 0.000 0.875 234 R HN 0.596 nan 8.270 nan 0.000 0.462 235 K N -0.421 120.039 120.400 0.101 0.000 2.432 235 K HA 0.051 4.372 4.320 0.001 0.000 0.196 235 K C 0.126 176.585 176.600 -0.236 0.000 1.038 235 K CA 0.497 56.727 56.287 -0.095 0.000 0.986 235 K CB 0.106 32.477 32.500 -0.214 0.000 0.782 235 K HN -0.037 nan 8.250 nan 0.000 0.485 236 F N 1.114 121.036 119.950 -0.047 0.000 2.457 236 F HA 0.129 4.656 4.527 0.001 0.000 0.330 236 F C 0.914 176.625 175.800 -0.148 0.000 1.069 236 F CA -1.679 56.266 58.000 -0.091 0.000 1.009 236 F CB 0.378 39.332 39.000 -0.078 0.000 1.276 236 F HN -0.109 nan 8.300 nan 0.000 0.492 237 D N 1.256 121.605 120.400 -0.085 0.000 2.506 237 D HA -0.099 4.542 4.640 0.001 0.000 0.234 237 D C 0.870 177.121 176.300 -0.082 0.000 1.143 237 D CA 0.149 54.011 54.000 -0.230 0.000 0.871 237 D CB 0.891 41.299 40.800 -0.653 0.000 1.190 237 D HN 0.503 nan 8.370 nan 0.000 0.459 238 E N 2.283 122.446 120.200 -0.062 0.000 2.209 238 E HA -0.171 4.180 4.350 0.001 0.000 0.196 238 E C 1.878 178.460 176.600 -0.029 0.000 0.993 238 E CA 0.532 56.914 56.400 -0.029 0.000 0.819 238 E CB -0.550 29.138 29.700 -0.021 0.000 0.745 238 E HN 0.511 nan 8.360 nan 0.000 0.477 239 C N 0.451 119.733 119.300 -0.031 0.000 2.425 239 C HA -0.075 4.385 4.460 0.001 0.000 0.277 239 C C 2.685 177.658 174.990 -0.030 0.000 1.280 239 C CA 0.265 59.275 59.018 -0.014 0.000 1.744 239 C CB -1.034 26.719 27.740 0.021 0.000 1.989 239 C HN 0.332 nan 8.230 nan 0.000 0.491 240 I N 0.295 120.843 120.570 -0.038 0.000 2.252 240 I HA -0.219 3.951 4.170 0.001 0.000 0.245 240 I C 2.737 178.794 176.117 -0.100 0.000 1.102 240 I CA 1.503 62.756 61.300 -0.078 0.000 1.385 240 I CB -0.625 37.317 38.000 -0.097 0.000 1.064 240 I HN 0.447 nan 8.210 nan 0.000 0.414 241 Q N 0.554 120.319 119.800 -0.060 0.000 2.061 241 Q HA -0.214 4.126 4.340 0.001 0.000 0.204 241 Q C 2.025 177.987 176.000 -0.063 0.000 0.984 241 Q CA 1.603 57.374 55.803 -0.054 0.000 0.846 241 Q CB -0.185 28.545 28.738 -0.013 0.000 0.902 241 Q HN 0.498 nan 8.270 nan 0.000 0.421 242 N N -0.454 118.218 118.700 -0.046 0.000 2.171 242 N HA -0.074 4.666 4.740 0.001 0.000 0.184 242 N C 1.766 177.249 175.510 -0.045 0.000 1.021 242 N CA 1.482 54.509 53.050 -0.038 0.000 0.854 242 N CB -0.319 38.153 38.487 -0.025 0.000 0.994 242 N HN 0.188 nan 8.380 nan 0.000 0.426 243 T N 1.832 116.351 114.554 -0.059 0.000 2.777 243 T HA 0.038 4.388 4.350 0.001 0.000 0.266 243 T C 1.893 176.556 174.700 -0.061 0.000 1.040 243 T CA 0.459 62.521 62.100 -0.062 0.000 1.141 243 T CB 0.107 68.923 68.868 -0.087 0.000 0.868 243 T HN 0.074 nan 8.240 nan 0.000 0.444 244 I N 1.658 122.154 120.570 -0.124 0.000 2.353 244 I HA -0.075 4.096 4.170 0.001 0.000 0.248 244 I C 2.605 178.588 176.117 -0.222 0.000 1.119 244 I CA 1.253 62.421 61.300 -0.220 0.000 1.417 244 I CB -1.703 36.077 38.000 -0.368 0.000 1.078 244 I HN 0.239 nan 8.210 nan 0.000 0.421 245 T N 1.069 115.536 114.554 -0.146 0.000 2.652 245 T HA -0.182 4.168 4.350 0.001 0.000 0.267 245 T C 1.540 176.242 174.700 0.004 0.000 1.039 245 T CA 1.791 63.848 62.100 -0.072 0.000 1.153 245 T CB -0.217 68.624 68.868 -0.045 0.000 0.863 245 T HN 0.259 nan 8.240 nan 0.000 0.428 246 D N -0.194 120.212 120.400 0.009 0.000 2.117 246 D HA -0.078 4.563 4.640 0.001 0.000 0.198 246 D C 1.967 178.308 176.300 0.069 0.000 0.982 246 D CA 1.148 55.165 54.000 0.028 0.000 0.828 246 D CB -0.532 40.279 40.800 0.018 0.000 0.967 246 D HN 0.436 nan 8.370 nan 0.000 0.464 247 H N -0.641 118.437 119.070 0.013 0.000 2.387 247 H HA -0.134 4.422 4.556 0.000 0.000 0.299 247 H C 1.646 177.070 175.328 0.159 0.000 1.090 247 H CA 1.384 57.465 56.048 0.056 0.000 1.332 247 H CB -0.156 29.629 29.762 0.038 0.000 1.386 247 H HN 0.078 nan 8.280 nan 0.000 0.516 248 Y N -0.428 119.833 120.300 -0.065 0.000 2.145 248 Y HA -0.183 4.367 4.550 0.000 0.000 0.286 248 Y C 2.728 178.503 175.900 -0.209 0.000 1.145 248 Y CA 1.178 59.195 58.100 -0.138 0.000 1.148 248 Y CB -0.788 37.636 38.460 -0.060 0.000 0.981 248 Y HN 0.087 nan 8.280 nan 0.000 0.507 249 V N 0.212 120.132 119.914 0.010 0.000 2.261 249 V HA -0.330 3.790 4.120 0.001 0.000 0.246 249 V C 2.410 178.435 176.094 -0.115 0.000 1.047 249 V CA 2.284 64.543 62.300 -0.068 0.000 1.015 249 V CB -0.669 31.131 31.823 -0.040 0.000 0.642 249 V HN 0.283 nan 8.190 nan 0.000 0.446 250 K N 0.546 120.878 120.400 -0.113 0.000 2.103 250 K HA -0.262 4.059 4.320 0.001 0.000 0.207 250 K C 2.137 178.634 176.600 -0.171 0.000 1.048 250 K CA 2.067 58.280 56.287 -0.124 0.000 0.930 250 K CB -0.183 32.258 32.500 -0.099 0.000 0.716 250 K HN 0.767 nan 8.250 nan 0.000 0.444 251 E N -1.300 118.724 120.200 -0.293 0.000 2.427 251 E HA -0.031 4.319 4.350 0.001 0.000 0.196 251 E C 0.895 177.372 176.600 -0.205 0.000 1.028 251 E CA 0.868 57.117 56.400 -0.252 0.000 0.864 251 E CB 0.346 29.840 29.700 -0.343 0.000 0.813 251 E HN 0.459 nan 8.360 nan 0.000 0.514 252 G N 1.054 109.697 108.800 -0.262 0.000 2.227 252 G HA2 -0.168 3.793 3.960 0.001 0.000 0.168 252 G HA3 -0.168 3.793 3.960 0.001 0.000 0.168 252 G C 0.118 174.824 174.900 -0.322 0.000 1.006 252 G CA -0.119 44.880 45.100 -0.168 0.000 0.684 252 G HN 0.206 nan 8.290 nan 0.000 0.489 253 I N 2.677 122.934 120.570 -0.522 0.000 2.436 253 I HA 0.158 4.329 4.170 0.001 0.000 0.289 253 I C -0.054 175.913 176.117 -0.250 0.000 1.083 253 I CA -0.555 60.506 61.300 -0.398 0.000 1.372 253 I CB 0.550 38.277 38.000 -0.453 0.000 1.408 253 I HN 0.066 nan 8.210 nan 0.000 0.516 254 N N 7.181 125.696 118.700 -0.307 0.000 2.400 254 N HA 0.073 4.814 4.740 0.001 0.000 0.267 254 N C -0.635 174.762 175.510 -0.187 0.000 1.208 254 N CA -0.030 52.821 53.050 -0.333 0.000 0.951 254 N CB 1.014 39.131 38.487 -0.616 0.000 1.227 254 N HN 0.245 nan 8.380 nan 0.000 0.488 255 V N 4.115 123.937 119.914 -0.153 0.000 2.368 255 V HA 0.052 4.172 4.120 0.001 0.000 0.266 255 V C 0.527 176.548 176.094 -0.122 0.000 1.045 255 V CA -0.576 61.702 62.300 -0.037 0.000 0.899 255 V CB 0.206 32.037 31.823 0.013 0.000 1.006 255 V HN 0.522 nan 8.190 nan 0.000 0.470 256 H N 5.074 124.180 119.070 0.061 0.000 2.820 256 H HA 0.310 4.867 4.556 0.001 0.000 0.278 256 H C 0.000 175.356 175.328 0.047 0.000 1.142 256 H CA -0.400 55.682 56.048 0.057 0.000 1.346 256 H CB 0.721 30.522 29.762 0.065 0.000 1.438 256 H HN 0.592 nan 8.280 nan 0.000 0.473 257 K N 2.294 122.750 120.400 0.093 0.000 2.126 257 K HA 0.207 4.527 4.320 0.001 0.000 0.257 257 K C 0.825 177.470 176.600 0.075 0.000 1.007 257 K CA -0.843 55.487 56.287 0.071 0.000 0.928 257 K CB 1.378 33.900 32.500 0.037 0.000 1.013 257 K HN 0.492 nan 8.250 nan 0.000 0.473 258 L N 0.445 121.705 121.223 0.062 0.000 3.742 258 L HA -0.262 4.079 4.340 0.001 0.000 0.431 258 L C -0.769 176.142 176.870 0.067 0.000 1.220 258 L CA 0.220 55.094 54.840 0.056 0.000 0.863 258 L CB -1.955 40.131 42.059 0.045 0.000 1.751 258 L HN 0.565 nan 8.230 nan 0.000 0.922 259 S N -0.312 115.436 115.700 0.081 0.000 2.542 259 S HA 0.772 5.243 4.470 0.001 0.000 0.293 259 S C -0.326 174.323 174.600 0.081 0.000 1.089 259 S CA -0.926 57.325 58.200 0.086 0.000 0.961 259 S CB 2.659 65.926 63.200 0.112 0.000 1.062 259 S HN 0.362 nan 8.310 nan 0.000 0.483 260 K N 0.968 121.414 120.400 0.078 0.000 2.468 260 K HA 0.602 4.922 4.320 0.001 0.000 0.252 260 K C -1.342 175.320 176.600 0.102 0.000 0.932 260 K CA -0.692 55.651 56.287 0.093 0.000 0.794 260 K CB 0.980 33.529 32.500 0.082 0.000 1.241 260 K HN 0.485 nan 8.250 nan 0.000 0.428 261 I N 3.308 123.966 120.570 0.146 0.000 2.556 261 I HA -0.029 4.141 4.170 0.001 0.000 0.284 261 I C 0.440 176.664 176.117 0.179 0.000 1.114 261 I CA -0.197 61.206 61.300 0.172 0.000 1.418 261 I CB 1.382 39.542 38.000 0.266 0.000 1.394 261 I HN 0.582 nan 8.210 nan 0.000 0.552 262 V N 5.875 125.883 119.914 0.156 0.000 3.548 262 V HA 0.223 4.343 4.120 0.001 0.000 0.279 262 V C 0.175 176.349 176.094 0.133 0.000 1.446 262 V CA 0.405 62.779 62.300 0.124 0.000 1.023 262 V CB 0.246 32.122 31.823 0.089 0.000 0.820 262 V HN 0.751 nan 8.190 nan 0.000 0.438 263 K N -0.107 120.404 120.400 0.184 0.000 2.589 263 K HA 0.489 4.809 4.320 0.001 0.000 0.265 263 K C -2.225 174.520 176.600 0.242 0.000 0.935 263 K CA -0.316 56.082 56.287 0.184 0.000 0.850 263 K CB 2.566 35.114 32.500 0.080 0.000 1.372 263 K HN -0.121 nan 8.250 nan 0.000 0.420 264 V N 3.329 123.374 119.914 0.218 0.000 2.656 264 V HA 0.497 4.618 4.120 0.001 0.000 0.307 264 V C -0.724 175.454 176.094 0.140 0.000 1.051 264 V CA -0.648 61.757 62.300 0.176 0.000 0.893 264 V CB 1.660 33.597 31.823 0.191 0.000 0.999 264 V HN 0.875 nan 8.190 nan 0.000 0.426 265 E N 2.890 123.156 120.200 0.111 0.000 2.367 265 E HA 0.629 4.979 4.350 0.001 0.000 0.273 265 E C -1.357 175.261 176.600 0.030 0.000 0.903 265 E CA -1.166 55.279 56.400 0.076 0.000 0.764 265 E CB 3.049 32.814 29.700 0.108 0.000 1.252 265 E HN 0.478 nan 8.360 nan 0.000 0.446 266 K N 1.594 122.003 120.400 0.015 0.000 2.159 266 K HA 0.274 4.594 4.320 0.001 0.000 0.266 266 K C -0.580 176.017 176.600 -0.004 0.000 0.975 266 K CA -0.388 55.896 56.287 -0.005 0.000 0.865 266 K CB 1.490 33.984 32.500 -0.010 0.000 1.087 266 K HN 0.552 nan 8.250 nan 0.000 0.446 267 N N 0.964 119.655 118.700 -0.015 0.000 2.476 267 N HA 0.202 4.942 4.740 0.001 0.000 0.287 267 N C -0.158 175.343 175.510 -0.014 0.000 1.262 267 N CA -0.844 52.197 53.050 -0.014 0.000 0.980 267 N CB 0.772 39.245 38.487 -0.024 0.000 1.163 267 N HN 0.154 nan 8.380 nan 0.000 0.592 271 D N 0.882 121.263 120.400 -0.032 0.000 3.028 271 D HA -0.130 4.511 4.640 0.001 0.000 0.207 271 D C -0.086 176.188 176.300 -0.045 0.000 1.100 271 D CA 1.257 55.236 54.000 -0.035 0.000 0.995 271 D CB -0.602 40.177 40.800 -0.035 0.000 1.108 271 D HN 0.420 nan 8.370 nan 0.000 0.421 272 K N -0.284 120.086 120.400 -0.050 0.000 2.087 272 K HA 0.537 4.858 4.320 0.001 0.000 0.255 272 K C -0.180 176.382 176.600 -0.064 0.000 0.988 272 K CA -0.949 55.299 56.287 -0.065 0.000 0.915 272 K CB 0.967 33.424 32.500 -0.071 0.000 1.043 272 K HN -0.074 nan 8.250 nan 0.000 0.457 273 L N 1.566 122.740 121.223 -0.082 0.000 2.399 273 L HA 0.383 4.723 4.340 0.001 0.000 0.265 273 L C -0.193 176.614 176.870 -0.105 0.000 1.089 273 L CA -0.038 54.754 54.840 -0.080 0.000 0.802 273 L CB 0.661 42.665 42.059 -0.091 0.000 1.180 273 L HN 0.514 nan 8.230 nan 0.000 0.454 274 K N 1.500 121.840 120.400 -0.100 0.000 2.507 274 K HA 0.561 4.881 4.320 0.001 0.000 0.252 274 K C -1.466 175.011 176.600 -0.206 0.000 0.943 274 K CA -0.563 55.620 56.287 -0.173 0.000 0.808 274 K CB 1.152 33.555 32.500 -0.161 0.000 1.142 274 K HN 0.325 nan 8.250 nan 0.000 0.426 275 I N 4.218 124.627 120.570 -0.268 0.000 2.353 275 I HA 0.215 4.385 4.170 0.001 0.000 0.293 275 I C -0.175 175.768 176.117 -0.290 0.000 0.992 275 I CA -0.325 60.850 61.300 -0.209 0.000 1.268 275 I CB 1.081 38.947 38.000 -0.224 0.000 1.387 275 I HN 0.542 nan 8.210 nan 0.000 0.478 276 H N 6.706 125.760 119.070 -0.027 0.000 2.504 276 H HA 0.435 4.991 4.556 0.001 0.000 0.322 276 H C -0.489 174.840 175.328 0.001 0.000 1.055 276 H CA -0.657 55.385 56.048 -0.011 0.000 1.231 276 H CB 1.698 31.466 29.762 0.010 0.000 1.417 276 H HN 0.399 nan 8.280 nan 0.000 0.472 277 M N 2.372 122.027 119.600 0.092 0.000 2.471 277 M HA 0.078 4.559 4.480 0.001 0.000 0.309 277 M C 1.687 178.036 176.300 0.082 0.000 1.186 277 M CA -0.526 54.813 55.300 0.065 0.000 1.008 277 M CB 0.803 33.418 32.600 0.025 0.000 1.551 277 M HN 0.587 nan 8.290 nan 0.000 0.477 278 N N 0.359 119.100 118.700 0.069 0.000 2.463 278 N HA -0.115 4.625 4.740 0.001 0.000 0.181 278 N C 0.199 175.740 175.510 0.052 0.000 1.078 278 N CA 0.960 54.045 53.050 0.059 0.000 0.902 278 N CB -0.354 38.165 38.487 0.054 0.000 0.970 278 N HN 0.702 nan 8.380 nan 0.000 0.451 279 D N -0.185 120.248 120.400 0.055 0.000 2.339 279 D HA -0.009 4.631 4.640 0.001 0.000 0.217 279 D C 0.604 176.935 176.300 0.051 0.000 1.050 279 D CA 0.704 54.734 54.000 0.051 0.000 0.856 279 D CB -0.187 40.646 40.800 0.056 0.000 0.922 279 D HN 0.266 nan 8.370 nan 0.000 0.518 280 S N -2.122 113.613 115.700 0.058 0.000 2.765 280 S HA -0.253 4.218 4.470 0.001 0.000 0.266 280 S C 0.197 174.837 174.600 0.066 0.000 1.302 280 S CA 0.722 58.961 58.200 0.066 0.000 1.274 280 S CB -2.355 60.875 63.200 0.050 0.000 1.559 280 S HN 0.473 nan 8.310 nan 0.000 0.658 281 K N 1.542 121.975 120.400 0.056 0.000 2.098 281 K HA 0.693 5.013 4.320 0.001 0.000 0.244 281 K C 0.390 176.991 176.600 0.001 0.000 1.014 281 K CA 0.159 56.470 56.287 0.039 0.000 0.917 281 K CB 1.227 33.763 32.500 0.060 0.000 1.072 281 K HN 0.584 nan 8.250 nan 0.000 0.477 282 S N -0.054 115.615 115.700 -0.051 0.000 2.651 282 S HA 0.609 5.079 4.470 0.001 0.000 0.279 282 S C -0.929 173.561 174.600 -0.184 0.000 1.148 282 S CA -0.977 57.124 58.200 -0.165 0.000 0.837 282 S CB 0.873 63.914 63.200 -0.265 0.000 1.138 282 S HN 0.426 nan 8.310 nan 0.000 0.478 283 I N 2.046 122.450 120.570 -0.276 0.000 2.410 283 I HA 0.435 4.606 4.170 0.001 0.000 0.286 283 I C -1.220 174.731 176.117 -0.276 0.000 1.009 283 I CA -0.544 60.567 61.300 -0.315 0.000 1.111 283 I CB 1.657 39.367 38.000 -0.483 0.000 1.262 283 I HN 0.589 nan 8.210 nan 0.000 0.443 284 D N 4.392 124.665 120.400 -0.210 0.000 2.440 284 D HA 0.265 4.905 4.640 0.001 0.000 0.258 284 D C -0.208 176.004 176.300 -0.147 0.000 1.092 284 D CA -0.173 53.727 54.000 -0.166 0.000 1.016 284 D CB 0.586 41.316 40.800 -0.116 0.000 1.141 284 D HN 0.455 nan 8.370 nan 0.000 0.552 285 D N -0.794 119.537 120.400 -0.115 0.000 2.701 285 D HA -0.144 4.496 4.640 0.001 0.000 0.235 285 D C -0.685 175.545 176.300 -0.116 0.000 1.155 285 D CA 0.378 54.319 54.000 -0.097 0.000 0.649 285 D CB -1.371 39.384 40.800 -0.076 0.000 1.050 285 D HN 0.010 nan 8.370 nan 0.000 0.425 286 V N 1.153 120.983 119.914 -0.139 0.000 2.432 286 V HA 0.051 4.171 4.120 0.001 0.000 0.275 286 V C 1.483 177.493 176.094 -0.139 0.000 1.043 286 V CA -0.212 61.992 62.300 -0.159 0.000 0.925 286 V CB 1.750 33.456 31.823 -0.197 0.000 0.985 286 V HN 0.057 nan 8.190 nan 0.000 0.466 287 D N 2.842 123.154 120.400 -0.147 0.000 2.305 287 D HA 0.058 4.699 4.640 0.001 0.000 0.206 287 D C 0.569 176.779 176.300 -0.150 0.000 0.974 287 D CA 0.712 54.628 54.000 -0.139 0.000 0.871 287 D CB 0.940 41.651 40.800 -0.149 0.000 0.947 287 D HN 0.618 nan 8.370 nan 0.000 0.516 288 E N 0.177 120.267 120.200 -0.182 0.000 2.354 288 E HA 0.389 4.739 4.350 0.001 0.000 0.283 288 E C -2.164 174.314 176.600 -0.204 0.000 0.938 288 E CA -0.706 55.588 56.400 -0.176 0.000 0.777 288 E CB 1.795 31.372 29.700 -0.206 0.000 1.222 288 E HN -0.118 nan 8.360 nan 0.000 0.423 289 L N 5.374 126.486 121.223 -0.187 0.000 2.381 289 L HA 0.680 5.021 4.340 0.001 0.000 0.274 289 L C -1.620 175.080 176.870 -0.283 0.000 0.988 289 L CA -0.420 54.247 54.840 -0.289 0.000 0.824 289 L CB 1.214 43.057 42.059 -0.360 0.000 1.263 289 L HN 0.664 nan 8.230 nan 0.000 0.410 290 I N 4.246 124.644 120.570 -0.288 0.000 2.418 290 I HA 0.270 4.440 4.170 0.001 0.000 0.287 290 I C -1.258 174.712 176.117 -0.245 0.000 1.008 290 I CA -0.503 60.700 61.300 -0.163 0.000 1.104 290 I CB 1.366 39.393 38.000 0.046 0.000 1.264 290 I HN 0.632 nan 8.210 nan 0.000 0.438 291 W N 4.731 125.999 121.300 -0.052 0.000 2.335 291 W HA 0.375 5.035 4.660 0.001 0.000 0.306 291 W C 0.459 176.891 176.519 -0.144 0.000 1.216 291 W CA -0.508 56.767 57.345 -0.118 0.000 1.237 291 W CB 1.151 30.465 29.460 -0.244 0.000 1.243 291 W HN 0.441 nan 8.180 nan 0.000 0.493 292 T N 1.123 115.752 114.554 0.126 0.000 3.504 292 T HA 0.287 4.638 4.350 0.001 0.000 0.286 292 T C -0.083 174.646 174.700 0.048 0.000 1.530 292 T CA -0.547 61.576 62.100 0.038 0.000 1.652 292 T CB -0.905 67.962 68.868 -0.003 0.000 0.895 292 T HN 0.501 nan 8.240 nan 0.000 0.674 293 I N -1.375 119.226 120.570 0.051 0.000 3.816 293 I HA 0.713 4.884 4.170 0.001 0.000 0.334 293 I C 0.645 176.764 176.117 0.003 0.000 1.551 293 I CA -0.733 60.593 61.300 0.042 0.000 1.153 293 I CB -0.240 37.795 38.000 0.059 0.000 1.197 293 I HN 0.705 nan 8.210 nan 0.000 0.439 294 G N 1.352 110.148 108.800 -0.006 0.000 2.392 294 G HA2 0.062 4.022 3.960 0.001 0.000 0.677 294 G HA3 0.062 4.022 3.960 0.001 0.000 0.677 294 G C -1.200 173.699 174.900 -0.003 0.000 1.334 294 G CA -1.162 43.936 45.100 -0.004 0.000 0.961 294 G HN 0.361 nan 8.290 nan 0.000 0.616 295 R N -0.174 120.336 120.500 0.016 0.000 2.807 295 R HA 0.710 5.050 4.340 0.001 0.000 0.276 295 R C 0.055 176.381 176.300 0.042 0.000 0.979 295 R CA -0.997 55.124 56.100 0.035 0.000 0.928 295 R CB 2.415 32.746 30.300 0.053 0.000 1.191 295 R HN 0.820 nan 8.270 nan 0.000 0.471 296 K N -0.423 120.013 120.400 0.060 0.000 2.352 296 K HA 0.516 4.836 4.320 0.001 0.000 0.240 296 K C -0.734 175.925 176.600 0.099 0.000 1.017 296 K CA -0.896 55.434 56.287 0.071 0.000 0.851 296 K CB 1.646 34.189 32.500 0.072 0.000 1.261 296 K HN 0.275 nan 8.250 nan 0.000 0.451 297 S N 1.186 116.952 115.700 0.111 0.000 2.549 297 S HA -0.032 4.439 4.470 0.001 0.000 0.283 297 S C -0.359 174.361 174.600 0.199 0.000 1.320 297 S CA -0.377 57.906 58.200 0.139 0.000 1.058 297 S CB -0.072 63.200 63.200 0.119 0.000 0.882 297 S HN 0.550 nan 8.310 nan 0.000 0.498 298 H N 3.750 122.876 119.070 0.093 0.000 3.109 298 H HA 0.298 4.854 4.556 0.001 0.000 0.266 298 H C -0.855 174.541 175.328 0.114 0.000 1.334 298 H CA -0.847 55.270 56.048 0.115 0.000 1.456 298 H CB -0.825 29.003 29.762 0.109 0.000 1.587 298 H HN 0.421 nan 8.280 nan 0.000 0.500 299 L N 4.555 125.977 121.223 0.332 0.000 2.272 299 L HA 0.338 4.679 4.340 0.001 0.000 0.284 299 L C 1.299 178.328 176.870 0.266 0.000 1.045 299 L CA -0.195 54.770 54.840 0.208 0.000 0.842 299 L CB 1.533 43.690 42.059 0.163 0.000 1.224 299 L HN 0.706 nan 8.230 nan 0.000 0.430 300 G N 2.388 111.325 108.800 0.229 0.000 2.815 300 G HA2 0.166 4.126 3.960 0.001 0.000 0.215 300 G HA3 0.166 4.126 3.960 0.001 0.000 0.215 300 G C 0.558 175.652 174.900 0.323 0.000 1.054 300 G CA -0.221 45.105 45.100 0.377 0.000 0.832 300 G HN 0.396 nan 8.290 nan 0.000 0.557 301 M N 0.602 120.296 119.600 0.157 0.000 1.876 301 M HA 0.461 4.942 4.480 0.001 0.000 0.216 301 M C 1.364 177.788 176.300 0.207 0.000 1.334 301 M CA 0.468 55.843 55.300 0.125 0.000 0.951 301 M CB 0.148 32.785 32.600 0.061 0.000 1.271 301 M HN -0.086 nan 8.290 nan 0.000 0.414 302 G N -0.463 108.485 108.800 0.247 0.000 3.741 302 G HA2 0.279 4.240 3.960 0.001 0.000 0.263 302 G HA3 0.279 4.240 3.960 0.001 0.000 0.263 302 G C 0.936 176.006 174.900 0.283 0.000 1.175 302 G CA 0.041 45.288 45.100 0.246 0.000 1.642 302 G HN 0.878 nan 8.290 nan 0.000 0.644 303 S N 0.769 116.619 115.700 0.250 0.000 2.400 303 S HA -0.190 4.281 4.470 0.001 0.000 0.232 303 S C 2.038 176.638 174.600 0.000 0.000 1.025 303 S CA 1.457 59.731 58.200 0.124 0.000 0.993 303 S CB -0.094 63.172 63.200 0.109 0.000 0.808 303 S HN 0.562 nan 8.310 nan 0.000 0.478 304 E N 2.447 122.672 120.200 0.042 0.000 2.153 304 E HA -0.171 4.180 4.350 0.001 0.000 0.194 304 E C 1.102 177.702 176.600 0.000 0.000 0.988 304 E CA 1.086 57.495 56.400 0.015 0.000 0.811 304 E CB -0.917 28.803 29.700 0.034 0.000 0.746 304 E HN 0.533 nan 8.360 nan 0.000 0.466 305 N N 1.129 119.845 118.700 0.027 0.000 2.520 305 N HA -0.075 4.666 4.740 0.001 0.000 0.185 305 N C 1.717 177.204 175.510 -0.037 0.000 1.068 305 N CA 1.427 54.491 53.050 0.025 0.000 0.911 305 N CB 0.382 38.923 38.487 0.090 0.000 0.961 305 N HN 0.389 nan 8.380 nan 0.000 0.446 306 V N -5.356 114.476 119.914 -0.137 0.000 3.477 306 V HA 0.546 4.666 4.120 0.001 0.000 0.297 306 V C 1.138 177.121 176.094 -0.186 0.000 1.433 306 V CA 0.248 62.411 62.300 -0.228 0.000 1.052 306 V CB 0.137 31.642 31.823 -0.529 0.000 0.895 306 V HN 0.119 nan 8.190 nan 0.000 0.438 307 G N 1.359 110.081 108.800 -0.131 0.000 2.132 307 G HA2 -0.227 3.734 3.960 0.001 0.000 0.228 307 G HA3 -0.227 3.734 3.960 0.001 0.000 0.228 307 G C -0.062 174.779 174.900 -0.099 0.000 1.000 307 G CA 0.184 45.228 45.100 -0.094 0.000 0.693 307 G HN 0.603 nan 8.290 nan 0.000 0.515 308 I N 1.286 121.780 120.570 -0.125 0.000 2.587 308 I HA 0.089 4.260 4.170 0.001 0.000 0.284 308 I C 1.087 177.174 176.117 -0.050 0.000 1.134 308 I CA 0.342 61.582 61.300 -0.100 0.000 1.410 308 I CB 0.461 38.395 38.000 -0.109 0.000 1.392 308 I HN 0.031 nan 8.210 nan 0.000 0.545 309 K N 7.484 127.861 120.400 -0.039 0.000 2.322 309 K HA 0.415 4.735 4.320 0.001 0.000 0.283 309 K C -0.625 175.970 176.600 -0.008 0.000 1.042 309 K CA -0.280 55.994 56.287 -0.022 0.000 0.958 309 K CB 0.838 33.324 32.500 -0.022 0.000 0.984 309 K HN 0.483 nan 8.250 nan 0.000 0.473 310 L N 2.646 123.868 121.223 -0.001 0.000 2.334 310 L HA 0.304 4.645 4.340 0.001 0.000 0.272 310 L C 0.767 177.638 176.870 0.001 0.000 1.020 310 L CA -0.918 53.928 54.840 0.011 0.000 0.812 310 L CB 1.379 43.450 42.059 0.020 0.000 1.264 310 L HN 0.800 nan 8.230 nan 0.000 0.439 311 N N -0.978 117.727 118.700 0.008 0.000 2.431 311 N HA 0.072 4.813 4.740 0.001 0.000 0.289 311 N C 0.708 176.186 175.510 -0.053 0.000 1.277 311 N CA -0.249 52.792 53.050 -0.014 0.000 0.972 311 N CB 0.670 39.163 38.487 0.011 0.000 1.143 311 N HN 0.610 nan 8.380 nan 0.000 0.578 312 S N -1.685 113.930 115.700 -0.143 0.000 2.660 312 S HA -0.050 4.421 4.470 0.001 0.000 0.228 312 S C 0.272 174.651 174.600 -0.369 0.000 0.966 312 S CA 0.066 58.117 58.200 -0.249 0.000 0.940 312 S CB -0.512 62.498 63.200 -0.317 0.000 0.773 312 S HN 0.576 nan 8.310 nan 0.000 0.535 313 H N 1.237 120.312 119.070 0.007 0.000 2.581 313 H HA 0.279 4.835 4.556 0.001 0.000 0.275 313 H C -0.321 175.020 175.328 0.021 0.000 1.126 313 H CA -0.251 55.804 56.048 0.012 0.000 1.097 313 H CB -0.054 29.714 29.762 0.011 0.000 1.626 313 H HN 0.370 nan 8.280 nan 0.000 0.565 314 D N 1.742 122.193 120.400 0.085 0.000 2.708 314 D HA -0.184 4.456 4.640 0.001 0.000 0.236 314 D C -0.148 176.207 176.300 0.092 0.000 1.146 314 D CA 0.795 54.841 54.000 0.076 0.000 0.662 314 D CB -0.730 40.115 40.800 0.076 0.000 1.059 314 D HN 0.576 nan 8.370 nan 0.000 0.428 315 Q N -0.374 119.482 119.800 0.093 0.000 2.266 315 Q HA 0.598 4.938 4.340 0.001 0.000 0.261 315 Q C 0.653 176.690 176.000 0.061 0.000 0.985 315 Q CA -0.825 55.028 55.803 0.084 0.000 0.873 315 Q CB 1.806 30.598 28.738 0.089 0.000 1.306 315 Q HN 0.227 nan 8.270 nan 0.000 0.447 316 I N 2.444 123.048 120.570 0.058 0.000 2.618 316 I HA 0.035 4.206 4.170 0.001 0.000 0.284 316 I C 0.062 176.199 176.117 0.033 0.000 1.146 316 I CA 0.096 61.422 61.300 0.043 0.000 1.425 316 I CB 0.275 38.305 38.000 0.050 0.000 1.383 316 I HN 0.391 nan 8.210 nan 0.000 0.562 317 I N 5.807 126.389 120.570 0.019 0.000 2.472 317 I HA 0.489 4.659 4.170 0.001 0.000 0.290 317 I C 0.335 176.460 176.117 0.014 0.000 1.016 317 I CA 0.052 61.359 61.300 0.011 0.000 1.348 317 I CB 1.160 39.162 38.000 0.003 0.000 1.417 317 I HN 0.659 nan 8.210 nan 0.000 0.521 318 A N 4.563 127.390 122.820 0.010 0.000 2.520 318 A HA 0.584 4.905 4.320 0.001 0.000 0.298 318 A C -1.035 176.556 177.584 0.012 0.000 1.051 318 A CA -0.815 51.240 52.037 0.029 0.000 0.690 318 A CB 1.321 20.351 19.000 0.050 0.000 1.281 318 A HN 0.726 nan 8.150 nan 0.000 0.402 319 D N 0.376 120.803 120.400 0.044 0.000 2.440 319 D HA 0.140 4.780 4.640 0.001 0.000 0.269 319 D C 1.073 177.369 176.300 -0.007 0.000 1.249 319 D CA 0.162 54.181 54.000 0.031 0.000 1.055 319 D CB 0.181 41.035 40.800 0.090 0.000 1.104 319 D HN 0.697 nan 8.370 nan 0.000 0.561 320 E N -1.088 119.064 120.200 -0.080 0.000 2.331 320 E HA -0.253 4.098 4.350 0.001 0.000 0.199 320 E C 0.682 177.082 176.600 -0.334 0.000 1.008 320 E CA 1.042 57.306 56.400 -0.228 0.000 0.843 320 E CB -0.580 28.913 29.700 -0.344 0.000 0.761 320 E HN 0.597 nan 8.360 nan 0.000 0.507 321 Y N 0.784 121.131 120.300 0.079 0.000 2.524 321 Y HA 0.153 4.704 4.550 0.001 0.000 0.266 321 Y C 0.220 176.190 175.900 0.117 0.000 1.180 321 Y CA -0.319 57.831 58.100 0.084 0.000 1.244 321 Y CB 0.596 39.096 38.460 0.067 0.000 1.125 321 Y HN -0.102 nan 8.280 nan 0.000 0.524 322 Q N -1.103 118.819 119.800 0.204 0.000 2.489 322 Q HA -0.230 4.110 4.340 0.001 0.000 0.259 322 Q C -1.164 175.009 176.000 0.288 0.000 0.934 322 Q CA 0.496 56.428 55.803 0.215 0.000 1.131 322 Q CB -2.408 26.461 28.738 0.218 0.000 1.472 322 Q HN 0.486 nan 8.270 nan 0.000 0.560 323 N N 1.838 120.701 118.700 0.272 0.000 2.488 323 N HA 0.187 4.927 4.740 0.001 0.000 0.274 323 N C 0.813 176.371 175.510 0.081 0.000 1.111 323 N CA 0.646 53.824 53.050 0.213 0.000 0.974 323 N CB 1.123 39.719 38.487 0.182 0.000 1.089 323 N HN 0.386 nan 8.380 nan 0.000 0.465 324 T N -1.038 113.513 114.554 -0.004 0.000 2.793 324 T HA 0.067 4.418 4.350 0.001 0.000 0.299 324 T C 1.401 176.075 174.700 -0.043 0.000 1.038 324 T CA -0.533 61.551 62.100 -0.027 0.000 0.948 324 T CB 0.415 69.245 68.868 -0.063 0.000 1.231 324 T HN 0.543 nan 8.240 nan 0.000 0.538 325 N N -0.431 118.241 118.700 -0.048 0.000 2.494 325 N HA -0.033 4.707 4.740 0.001 0.000 0.182 325 N C 0.102 175.570 175.510 -0.070 0.000 1.076 325 N CA 0.131 53.154 53.050 -0.045 0.000 0.908 325 N CB -0.432 38.032 38.487 -0.039 0.000 0.967 325 N HN 0.396 nan 8.380 nan 0.000 0.449 326 V N 2.539 122.388 119.914 -0.109 0.000 2.432 326 V HA 0.299 4.419 4.120 0.001 0.000 0.275 326 V C -2.170 173.829 176.094 -0.157 0.000 1.043 326 V CA -1.728 60.492 62.300 -0.134 0.000 0.925 326 V CB 1.142 32.856 31.823 -0.181 0.000 0.985 326 V HN 0.014 nan 8.190 nan 0.000 0.466 327 P HA 0.094 nan 4.420 nan 0.000 0.262 327 P C 0.358 177.577 177.300 -0.136 0.000 1.182 327 P CA 0.438 63.479 63.100 -0.098 0.000 0.761 327 P CB 0.122 31.793 31.700 -0.048 0.000 0.795 328 N N 0.354 118.955 118.700 -0.166 0.000 2.800 328 N HA -0.165 4.576 4.740 0.001 0.000 0.250 328 N C -0.546 174.743 175.510 -0.368 0.000 1.078 328 N CA 1.001 53.978 53.050 -0.121 0.000 0.804 328 N CB -1.530 36.964 38.487 0.011 0.000 1.135 328 N HN 0.452 nan 8.380 nan 0.000 0.565 329 I N 0.863 121.040 120.570 -0.655 0.000 2.418 329 I HA 0.339 4.509 4.170 0.001 0.000 0.287 329 I C -0.401 175.315 176.117 -0.668 0.000 1.008 329 I CA -0.697 60.322 61.300 -0.469 0.000 1.104 329 I CB 1.041 38.896 38.000 -0.241 0.000 1.264 329 I HN -0.146 nan 8.210 nan 0.000 0.438 330 Y N 3.311 123.697 120.300 0.143 0.000 2.598 330 Y HA 0.689 5.239 4.550 0.001 0.000 0.340 330 Y C 0.322 176.289 175.900 0.112 0.000 1.038 330 Y CA -1.071 57.105 58.100 0.127 0.000 1.100 330 Y CB 1.958 40.511 38.460 0.156 0.000 1.281 330 Y HN 0.452 nan 8.280 nan 0.000 0.488 331 S N 1.245 117.088 115.700 0.239 0.000 2.537 331 S HA 0.873 5.344 4.470 0.001 0.000 0.270 331 S C -1.847 172.843 174.600 0.149 0.000 1.142 331 S CA -0.586 57.710 58.200 0.160 0.000 0.870 331 S CB 0.871 64.134 63.200 0.106 0.000 1.112 331 S HN 0.707 nan 8.310 nan 0.000 0.466 332 L N 0.915 122.212 121.223 0.125 0.000 2.892 332 L HA 1.034 5.374 4.340 0.001 0.000 0.269 332 L C 0.243 177.177 176.870 0.107 0.000 1.058 332 L CA 0.088 55.005 54.840 0.129 0.000 0.923 332 L CB 0.549 42.696 42.059 0.147 0.000 1.518 332 L HN 1.348 nan 8.230 nan 0.000 0.402 333 G N 0.179 109.054 108.800 0.125 0.000 2.584 333 G HA2 -0.198 3.763 3.960 0.001 0.000 0.229 333 G HA3 -0.198 3.763 3.960 0.001 0.000 0.229 333 G C 0.031 174.992 174.900 0.101 0.000 1.320 333 G CA 0.507 45.671 45.100 0.108 0.000 0.891 333 G HN 0.951 nan 8.290 nan 0.000 0.573 334 D N -0.579 119.877 120.400 0.093 0.000 2.144 334 D HA -0.046 4.594 4.640 0.001 0.000 0.199 334 D C 2.541 178.895 176.300 0.090 0.000 0.984 334 D CA 1.420 55.477 54.000 0.095 0.000 0.834 334 D CB -0.353 40.508 40.800 0.101 0.000 0.955 334 D HN 0.504 nan 8.370 nan 0.000 0.465 335 V N 0.230 120.196 119.914 0.087 0.000 2.469 335 V HA -0.216 3.904 4.120 0.001 0.000 0.251 335 V C 2.128 178.268 176.094 0.076 0.000 1.064 335 V CA 1.310 63.662 62.300 0.086 0.000 1.066 335 V CB -0.032 31.834 31.823 0.071 0.000 0.667 335 V HN 0.048 nan 8.190 nan 0.000 0.461 336 V N -0.022 119.933 119.914 0.068 0.000 2.446 336 V HA 0.270 4.391 4.120 0.001 0.000 0.244 336 V C 1.983 178.102 176.094 0.041 0.000 1.039 336 V CA 1.461 63.791 62.300 0.050 0.000 1.045 336 V CB -0.500 31.347 31.823 0.039 0.000 0.681 336 V HN 0.784 nan 8.190 nan 0.000 0.459 337 G N 0.606 109.437 108.800 0.052 0.000 2.141 337 G HA2 -0.286 3.675 3.960 0.001 0.000 0.231 337 G HA3 -0.286 3.675 3.960 0.001 0.000 0.231 337 G C 0.202 175.118 174.900 0.026 0.000 0.984 337 G CA 0.322 45.450 45.100 0.046 0.000 0.660 337 G HN 0.514 nan 8.290 nan 0.000 0.525 338 K N 1.094 121.500 120.400 0.011 0.000 2.264 338 K HA 0.540 4.861 4.320 0.001 0.000 0.277 338 K C 0.867 177.533 176.600 0.109 0.000 1.067 338 K CA -0.157 56.114 56.287 -0.027 0.000 0.900 338 K CB 0.779 33.138 32.500 -0.234 0.000 1.124 338 K HN 0.780 nan 8.250 nan 0.000 0.469 339 V N 3.956 123.932 119.914 0.105 0.000 5.574 339 V HA -0.212 3.909 4.120 0.001 0.000 0.296 339 V C -0.420 175.752 176.094 0.130 0.000 0.678 339 V CA 0.932 63.312 62.300 0.133 0.000 1.093 339 V CB -1.303 30.651 31.823 0.219 0.000 1.279 339 V HN 0.929 nan 8.190 nan 0.000 0.446 340 E N 4.261 124.526 120.200 0.108 0.000 1.842 340 E HA 0.484 4.834 4.350 0.001 0.000 0.278 340 E C -0.101 176.574 176.600 0.124 0.000 1.171 340 E CA -0.109 56.364 56.400 0.123 0.000 1.127 340 E CB 0.398 30.179 29.700 0.136 0.000 1.100 340 E HN 0.648 nan 8.360 nan 0.000 0.456 341 L N 0.332 121.612 121.223 0.095 0.000 2.393 341 L HA 0.248 4.589 4.340 0.001 0.000 0.260 341 L C 1.317 178.226 176.870 0.064 0.000 1.002 341 L CA -0.693 54.190 54.840 0.072 0.000 0.818 341 L CB 2.022 44.098 42.059 0.029 0.000 1.369 341 L HN 0.124 nan 8.230 nan 0.000 0.412 342 T N 0.649 115.240 114.554 0.062 0.000 2.708 342 T HA -0.052 4.298 4.350 0.001 0.000 0.266 342 T C -1.145 173.574 174.700 0.032 0.000 1.037 342 T CA 1.722 63.852 62.100 0.051 0.000 1.146 342 T CB -0.485 68.416 68.868 0.055 0.000 0.865 342 T HN 0.461 nan 8.240 nan 0.000 0.435 343 P HA 0.001 nan 4.420 nan 0.000 0.220 343 P C 1.499 178.783 177.300 -0.026 0.000 1.148 343 P CA 0.544 63.644 63.100 0.000 0.000 0.803 343 P CB -0.147 31.550 31.700 -0.004 0.000 0.782 344 V N 0.182 120.078 119.914 -0.029 0.000 2.307 344 V HA -0.212 3.908 4.120 0.001 0.000 0.245 344 V C 2.483 178.549 176.094 -0.045 0.000 1.045 344 V CA 2.200 64.454 62.300 -0.077 0.000 1.024 344 V CB -1.706 30.094 31.823 -0.039 0.000 0.651 344 V HN 0.098 nan 8.190 nan 0.000 0.449 345 A N -0.063 122.768 122.820 0.017 0.000 1.902 345 A HA -0.160 4.160 4.320 0.001 0.000 0.217 345 A C 2.194 179.791 177.584 0.022 0.000 1.181 345 A CA 1.831 53.893 52.037 0.041 0.000 0.623 345 A CB -0.552 18.479 19.000 0.052 0.000 0.818 345 A HN 0.486 nan 8.150 nan 0.000 0.443 346 I N -0.219 120.358 120.570 0.011 0.000 2.127 346 I HA -0.322 3.848 4.170 0.001 0.000 0.241 346 I C 3.001 179.111 176.117 -0.012 0.000 1.075 346 I CA 1.247 62.552 61.300 0.007 0.000 1.334 346 I CB -0.330 37.676 38.000 0.010 0.000 1.040 346 I HN 0.367 nan 8.210 nan 0.000 0.405 347 A N 0.527 123.325 122.820 -0.037 0.000 1.877 347 A HA -0.159 4.162 4.320 0.001 0.000 0.216 347 A C 2.517 180.067 177.584 -0.057 0.000 1.186 347 A CA 1.867 53.867 52.037 -0.060 0.000 0.620 347 A CB -0.918 18.023 19.000 -0.098 0.000 0.822 347 A HN 0.444 nan 8.150 nan 0.000 0.443 348 A N -0.518 122.269 122.820 -0.054 0.000 1.933 348 A HA 0.138 4.458 4.320 0.001 0.000 0.218 348 A C 2.387 179.990 177.584 0.031 0.000 1.175 348 A CA 1.882 53.917 52.037 -0.004 0.000 0.628 348 A CB -1.334 17.703 19.000 0.060 0.000 0.814 348 A HN 0.718 nan 8.150 nan 0.000 0.444 349 G N -0.548 108.273 108.800 0.035 0.000 2.418 349 G HA2 -0.224 3.736 3.960 0.001 0.000 0.217 349 G HA3 -0.224 3.736 3.960 0.001 0.000 0.217 349 G C 1.794 176.718 174.900 0.040 0.000 1.158 349 G CA 0.956 46.090 45.100 0.057 0.000 0.771 349 G HN 0.555 nan 8.290 nan 0.000 0.545 350 R N 0.172 120.673 120.500 0.003 0.000 2.075 350 R HA 0.069 4.409 4.340 0.001 0.000 0.232 350 R C 2.635 178.903 176.300 -0.054 0.000 1.126 350 R CA 1.253 57.337 56.100 -0.027 0.000 0.963 350 R CB -0.163 30.104 30.300 -0.054 0.000 0.858 350 R HN 0.257 nan 8.270 nan 0.000 0.435 351 K N 0.322 120.692 120.400 -0.050 0.000 2.148 351 K HA -0.114 4.207 4.320 0.001 0.000 0.204 351 K C 1.951 178.520 176.600 -0.051 0.000 1.050 351 K CA 0.779 57.030 56.287 -0.059 0.000 0.942 351 K CB -0.103 32.385 32.500 -0.020 0.000 0.724 351 K HN 0.043 nan 8.250 nan 0.000 0.446 352 L N 0.793 121.992 121.223 -0.039 0.000 2.056 352 L HA -0.103 4.238 4.340 0.001 0.000 0.207 352 L C 1.936 178.679 176.870 -0.212 0.000 1.078 352 L CA 1.761 56.539 54.840 -0.102 0.000 0.749 352 L CB -0.382 41.638 42.059 -0.064 0.000 0.901 352 L HN -0.067 nan 8.230 nan 0.000 0.433 353 S N 0.056 115.692 115.700 -0.107 0.000 2.402 353 S HA -0.103 4.367 4.470 0.001 0.000 0.229 353 S C 1.708 176.310 174.600 0.004 0.000 1.021 353 S CA 1.013 59.187 58.200 -0.044 0.000 0.974 353 S CB -0.484 62.783 63.200 0.111 0.000 0.800 353 S HN 0.551 nan 8.310 nan 0.000 0.484 354 N N 1.596 120.267 118.700 -0.048 0.000 2.069 354 N HA -0.110 4.631 4.740 0.001 0.000 0.191 354 N C 1.748 177.134 175.510 -0.207 0.000 1.031 354 N CA 1.028 53.957 53.050 -0.201 0.000 0.852 354 N CB -0.356 37.797 38.487 -0.557 0.000 1.018 354 N HN 0.403 nan 8.380 nan 0.000 0.423 355 R N 0.652 121.047 120.500 -0.174 0.000 2.075 355 R HA 0.054 4.394 4.340 0.001 0.000 0.232 355 R C 2.038 178.125 176.300 -0.356 0.000 1.126 355 R CA 0.851 56.846 56.100 -0.176 0.000 0.963 355 R CB -0.110 30.111 30.300 -0.132 0.000 0.858 355 R HN 0.169 nan 8.270 nan 0.000 0.435 356 L N -0.924 119.936 121.223 -0.604 0.000 2.162 356 L HA 0.032 4.372 4.340 0.001 0.000 0.205 356 L C 1.040 177.252 176.870 -1.096 0.000 1.086 356 L CA 0.796 55.001 54.840 -1.058 0.000 0.778 356 L CB 0.084 41.080 42.059 -1.771 0.000 0.928 356 L HN 0.179 nan 8.230 nan 0.000 0.446 357 F N -1.184 118.561 119.950 -0.341 0.000 2.798 357 F HA 0.352 4.879 4.527 0.001 0.000 0.328 357 F C 1.332 176.798 175.800 -0.555 0.000 1.098 357 F CA -0.610 57.209 58.000 -0.300 0.000 1.172 357 F CB -0.366 38.540 39.000 -0.156 0.000 1.072 357 F HN -0.154 nan 8.300 nan 0.000 0.555 358 G N 0.536 108.938 108.800 -0.663 0.000 2.525 358 G HA2 0.473 4.434 3.960 0.001 0.000 0.287 358 G HA3 0.473 4.434 3.960 0.001 0.000 0.287 358 G C -2.416 172.262 174.900 -0.370 0.000 1.350 358 G CA -1.343 43.072 45.100 -1.142 0.000 1.039 358 G HN -0.183 nan 8.290 nan 0.000 0.513 359 P HA 0.050 nan 4.420 nan 0.000 0.269 359 P C 0.811 178.083 177.300 -0.047 0.000 1.211 359 P CA -0.025 63.057 63.100 -0.029 0.000 0.781 359 P CB 0.761 32.476 31.700 0.026 0.000 0.877 360 E N 2.200 122.352 120.200 -0.081 0.000 2.171 360 E HA -0.282 4.068 4.350 0.001 0.000 0.197 360 E C 1.422 177.945 176.600 -0.129 0.000 0.997 360 E CA 1.433 57.780 56.400 -0.089 0.000 0.810 360 E CB -0.029 29.625 29.700 -0.077 0.000 0.738 360 E HN 0.454 nan 8.360 nan 0.000 0.467 361 K N -0.572 119.687 120.400 -0.234 0.000 2.442 361 K HA -0.122 4.199 4.320 0.001 0.000 0.198 361 K C 0.683 177.047 176.600 -0.394 0.000 1.044 361 K CA 0.937 57.014 56.287 -0.350 0.000 0.948 361 K CB -0.100 32.106 32.500 -0.490 0.000 0.762 361 K HN 0.076 nan 8.250 nan 0.000 0.472 362 F N 1.606 121.517 119.950 -0.065 0.000 2.668 362 F HA 0.340 4.867 4.527 0.001 0.000 0.297 362 F C 1.320 177.071 175.800 -0.081 0.000 1.124 362 F CA -0.850 57.114 58.000 -0.060 0.000 1.353 362 F CB 0.284 39.240 39.000 -0.075 0.000 0.992 362 F HN -0.104 nan 8.300 nan 0.000 0.524 363 R N 0.184 120.700 120.500 0.027 0.000 2.127 363 R HA -0.091 4.249 4.340 0.001 0.000 0.238 363 R C 0.738 177.008 176.300 -0.049 0.000 1.134 363 R CA 1.250 57.325 56.100 -0.041 0.000 0.975 363 R CB -0.233 30.026 30.300 -0.070 0.000 0.865 363 R HN 0.133 nan 8.270 nan 0.000 0.447 364 N N 0.706 119.426 118.700 0.033 0.000 2.328 364 N HA 0.019 4.760 4.740 0.001 0.000 0.247 364 N C -0.894 174.791 175.510 0.292 0.000 1.165 364 N CA -0.050 53.072 53.050 0.121 0.000 0.873 364 N CB 0.512 39.066 38.487 0.112 0.000 1.125 364 N HN 0.093 nan 8.380 nan 0.000 0.513 365 D N 2.231 122.771 120.400 0.234 0.000 2.390 365 D HA 0.127 4.768 4.640 0.001 0.000 0.249 365 D C 0.051 176.487 176.300 0.227 0.000 1.144 365 D CA 0.497 54.631 54.000 0.224 0.000 0.880 365 D CB 0.651 41.580 40.800 0.216 0.000 1.182 365 D HN 0.246 nan 8.370 nan 0.000 0.451 366 K N 1.468 121.947 120.400 0.132 0.000 2.575 366 K HA 0.466 4.787 4.320 0.001 0.000 0.279 366 K C -1.539 175.064 176.600 0.006 0.000 0.969 366 K CA -1.100 55.213 56.287 0.043 0.000 0.868 366 K CB 0.897 33.306 32.500 -0.151 0.000 1.457 366 K HN 0.210 nan 8.250 nan 0.000 0.426 367 L N 1.734 122.950 121.223 -0.011 0.000 2.305 367 L HA 0.325 4.666 4.340 0.001 0.000 0.281 367 L C -0.736 176.093 176.870 -0.068 0.000 1.085 367 L CA 0.285 55.055 54.840 -0.117 0.000 0.813 367 L CB 1.044 42.898 42.059 -0.342 0.000 1.157 367 L HN 0.733 nan 8.230 nan 0.000 0.436 368 D N 3.265 123.618 120.400 -0.079 0.000 2.336 368 D HA 0.040 4.680 4.640 0.001 0.000 0.249 368 D C 0.048 176.318 176.300 -0.050 0.000 1.213 368 D CA 0.265 54.263 54.000 -0.003 0.000 0.870 368 D CB 0.463 41.261 40.800 -0.003 0.000 1.076 368 D HN 0.513 nan 8.370 nan 0.000 0.483 369 Y N 1.753 122.041 120.300 -0.020 0.000 2.490 369 Y HA 0.142 4.692 4.550 0.001 0.000 0.281 369 Y C 0.901 176.793 175.900 -0.012 0.000 1.174 369 Y CA 0.045 58.136 58.100 -0.015 0.000 1.295 369 Y CB 0.300 38.749 38.460 -0.019 0.000 1.062 369 Y HN 0.321 nan 8.280 nan 0.000 0.522 370 E N 0.303 120.572 120.200 0.115 0.000 2.277 370 E HA 0.130 4.480 4.350 0.001 0.000 0.274 370 E C -0.161 176.465 176.600 0.042 0.000 1.022 370 E CA -0.385 56.057 56.400 0.071 0.000 0.853 370 E CB 0.414 30.149 29.700 0.059 0.000 1.086 370 E HN 0.252 nan 8.360 nan 0.000 0.397 371 N N -0.063 118.660 118.700 0.038 0.000 2.735 371 N HA -0.174 4.567 4.740 0.001 0.000 0.248 371 N C -1.057 174.463 175.510 0.016 0.000 1.083 371 N CA -0.260 52.808 53.050 0.029 0.000 0.703 371 N CB -0.690 37.816 38.487 0.032 0.000 1.005 371 N HN 0.069 nan 8.380 nan 0.000 0.550 372 V N 1.470 121.391 119.914 0.011 0.000 2.488 372 V HA 0.280 4.400 4.120 0.001 0.000 0.277 372 V C -1.224 174.871 176.094 0.002 0.000 1.046 372 V CA -0.879 61.418 62.300 -0.005 0.000 0.986 372 V CB 0.933 32.748 31.823 -0.012 0.000 0.989 372 V HN 0.091 nan 8.190 nan 0.000 0.475 373 P HA 0.370 nan 4.420 nan 0.000 0.277 373 P C -0.816 176.479 177.300 -0.009 0.000 1.240 373 P CA -0.231 62.870 63.100 0.002 0.000 0.798 373 P CB 1.499 33.199 31.700 -0.000 0.000 0.979 374 S N 0.318 116.016 115.700 -0.004 0.000 2.579 374 S HA 0.667 5.138 4.470 0.001 0.000 0.272 374 S C -1.024 173.534 174.600 -0.071 0.000 1.141 374 S CA -0.681 57.498 58.200 -0.035 0.000 0.843 374 S CB 1.268 64.458 63.200 -0.017 0.000 1.122 374 S HN 0.221 nan 8.310 nan 0.000 0.468 375 V N 1.427 121.231 119.914 -0.183 0.000 2.914 375 V HA 0.606 4.726 4.120 0.001 0.000 0.314 375 V C -1.119 174.731 176.094 -0.407 0.000 1.084 375 V CA -0.801 61.297 62.300 -0.337 0.000 0.963 375 V CB 1.840 33.365 31.823 -0.496 0.000 1.025 375 V HN 0.917 nan 8.190 nan 0.000 0.432 376 I N 3.222 123.518 120.570 -0.456 0.000 2.382 376 I HA 0.379 4.549 4.170 0.001 0.000 0.286 376 I C -0.615 175.266 176.117 -0.394 0.000 1.002 376 I CA -0.008 61.098 61.300 -0.323 0.000 1.135 376 I CB 1.358 39.167 38.000 -0.318 0.000 1.288 376 I HN 0.426 nan 8.210 nan 0.000 0.448 377 F N 5.094 124.939 119.950 -0.175 0.000 2.705 377 F HA 0.144 4.672 4.527 0.001 0.000 0.355 377 F C 1.405 177.215 175.800 0.017 0.000 1.172 377 F CA -0.283 57.497 58.000 -0.366 0.000 1.332 377 F CB -0.482 38.051 39.000 -0.779 0.000 1.621 377 F HN 0.475 nan 8.300 nan 0.000 0.605 378 S N -1.131 114.701 115.700 0.219 0.000 2.625 378 S HA 0.242 4.712 4.470 0.001 0.000 0.262 378 S C -0.483 174.474 174.600 0.594 0.000 1.223 378 S CA -0.535 57.904 58.200 0.400 0.000 0.993 378 S CB 0.739 64.040 63.200 0.168 0.000 1.051 378 S HN 0.496 nan 8.310 nan 0.000 0.562 379 H N 1.479 120.876 119.070 0.543 0.000 2.887 379 H HA 0.527 5.084 4.556 0.001 0.000 0.300 379 H C -2.849 172.750 175.328 0.452 0.000 1.038 379 H CA -1.850 54.471 56.048 0.454 0.000 1.352 379 H CB 1.153 31.115 29.762 0.333 0.000 1.473 379 H HN 0.415 nan 8.280 nan 0.000 0.503 380 P HA 0.073 nan 4.420 nan 0.000 0.274 380 P C -0.392 176.950 177.300 0.070 0.000 1.246 380 P CA -0.493 62.551 63.100 -0.093 0.000 0.795 380 P CB 1.381 32.943 31.700 -0.230 0.000 1.006 381 E N 0.582 120.858 120.200 0.127 0.000 2.422 381 E HA 0.412 4.762 4.350 0.001 0.000 0.260 381 E C -0.586 175.940 176.600 -0.123 0.000 1.108 381 E CA -0.676 55.709 56.400 -0.026 0.000 0.943 381 E CB 0.279 29.911 29.700 -0.113 0.000 0.961 381 E HN 0.509 nan 8.360 nan 0.000 0.443 382 A N 1.055 123.738 122.820 -0.229 0.000 2.515 382 A HA 0.778 5.099 4.320 0.001 0.000 0.296 382 A C -0.522 176.914 177.584 -0.247 0.000 1.094 382 A CA -0.204 51.708 52.037 -0.207 0.000 0.718 382 A CB 2.194 21.051 19.000 -0.237 0.000 1.307 382 A HN 0.754 nan 8.150 nan 0.000 0.408 383 G N -0.738 107.971 108.800 -0.152 0.000 2.690 383 G HA2 0.681 4.641 3.960 0.001 0.000 0.293 383 G HA3 0.681 4.641 3.960 0.001 0.000 0.293 383 G C -1.138 173.769 174.900 0.010 0.000 1.399 383 G CA 0.138 45.171 45.100 -0.112 0.000 0.890 383 G HN 1.517 nan 8.290 nan 0.000 0.485 384 S N -0.170 115.579 115.700 0.081 0.000 2.535 384 S HA 0.734 5.205 4.470 0.001 0.000 0.272 384 S C -1.564 173.101 174.600 0.108 0.000 1.149 384 S CA -0.656 57.667 58.200 0.204 0.000 0.888 384 S CB 1.318 64.815 63.200 0.494 0.000 1.110 384 S HN 1.040 nan 8.310 nan 0.000 0.463 385 I N 3.221 123.805 120.570 0.023 0.000 2.752 385 I HA 0.665 4.836 4.170 0.001 0.000 0.295 385 I C 0.153 176.259 176.117 -0.017 0.000 1.219 385 I CA 0.682 61.987 61.300 0.009 0.000 1.030 385 I CB 1.348 39.348 38.000 -0.001 0.000 1.259 385 I HN 1.188 nan 8.210 nan 0.000 0.423 386 G N 6.306 115.127 108.800 0.036 0.000 2.615 386 G HA2 -0.161 3.800 3.960 0.001 0.000 0.218 386 G HA3 -0.161 3.800 3.960 0.001 0.000 0.218 386 G C -0.732 174.249 174.900 0.135 0.000 1.339 386 G CA -0.113 45.020 45.100 0.055 0.000 0.884 386 G HN 1.180 nan 8.290 nan 0.000 0.559 387 I N -1.183 119.478 120.570 0.153 0.000 2.676 387 I HA 0.766 4.936 4.170 0.001 0.000 0.309 387 I C 0.850 177.130 176.117 0.273 0.000 0.990 387 I CA -0.192 61.207 61.300 0.165 0.000 1.168 387 I CB 1.873 39.945 38.000 0.121 0.000 1.343 387 I HN 1.119 nan 8.210 nan 0.000 0.482 388 S N 2.051 117.815 115.700 0.107 0.000 2.624 388 S HA 0.115 4.585 4.470 0.001 0.000 0.263 388 S C 0.913 175.556 174.600 0.073 0.000 1.287 388 S CA -0.022 58.173 58.200 -0.008 0.000 0.990 388 S CB 1.353 64.479 63.200 -0.124 0.000 0.950 388 S HN 0.907 nan 8.310 nan 0.000 0.561 389 E N 0.989 121.216 120.200 0.045 0.000 2.085 389 E HA -0.220 4.131 4.350 0.001 0.000 0.194 389 E C 1.791 178.415 176.600 0.041 0.000 0.994 389 E CA 1.393 57.826 56.400 0.056 0.000 0.801 389 E CB -0.164 29.558 29.700 0.036 0.000 0.743 389 E HN 0.694 nan 8.360 nan 0.000 0.453 390 K N 0.150 120.560 120.400 0.016 0.000 2.057 390 K HA -0.163 4.158 4.320 0.001 0.000 0.207 390 K C 2.168 178.781 176.600 0.021 0.000 1.049 390 K CA 1.669 57.963 56.287 0.013 0.000 0.931 390 K CB -0.067 32.431 32.500 -0.004 0.000 0.714 390 K HN 0.220 nan 8.250 nan 0.000 0.440 391 E N 0.463 120.677 120.200 0.023 0.000 2.110 391 E HA -0.169 4.182 4.350 0.001 0.000 0.193 391 E C 1.986 178.624 176.600 0.064 0.000 0.988 391 E CA 1.016 57.432 56.400 0.027 0.000 0.804 391 E CB -0.079 29.635 29.700 0.023 0.000 0.745 391 E HN 0.313 nan 8.360 nan 0.000 0.458 392 A N 1.084 123.972 122.820 0.113 0.000 1.930 392 A HA -0.140 4.181 4.320 0.001 0.000 0.217 392 A C 2.164 179.869 177.584 0.203 0.000 1.175 392 A CA 0.936 53.103 52.037 0.218 0.000 0.627 392 A CB -0.494 18.615 19.000 0.181 0.000 0.815 392 A HN 0.128 nan 8.150 nan 0.000 0.443 393 I N -0.640 119.995 120.570 0.107 0.000 2.226 393 I HA -0.226 3.945 4.170 0.001 0.000 0.245 393 I C 2.521 178.671 176.117 0.055 0.000 1.100 393 I CA 1.714 63.060 61.300 0.077 0.000 1.374 393 I CB -0.221 37.804 38.000 0.042 0.000 1.057 393 I HN 0.359 nan 8.210 nan 0.000 0.413 394 E N 1.469 121.687 120.200 0.030 0.000 2.072 394 E HA -0.253 4.098 4.350 0.001 0.000 0.191 394 E C 2.097 178.674 176.600 -0.039 0.000 0.985 394 E CA 1.559 57.957 56.400 -0.003 0.000 0.801 394 E CB -0.070 29.622 29.700 -0.013 0.000 0.750 394 E HN 0.302 nan 8.360 nan 0.000 0.452 395 K N -1.590 118.766 120.400 -0.073 0.000 2.137 395 K HA -0.072 4.248 4.320 0.001 0.000 0.202 395 K C 1.049 177.445 176.600 -0.340 0.000 1.052 395 K CA 1.017 57.147 56.287 -0.262 0.000 0.961 395 K CB 0.005 32.252 32.500 -0.423 0.000 0.741 395 K HN 0.196 nan 8.250 nan 0.000 0.452 396 Y N -0.446 119.854 120.300 0.000 0.000 2.430 396 Y HA 0.312 4.862 4.550 0.001 0.000 0.248 396 Y C 0.436 176.335 175.900 -0.002 0.000 1.108 396 Y CA 0.147 58.247 58.100 -0.000 0.000 1.264 396 Y CB 1.448 39.909 38.460 0.000 0.000 1.172 396 Y HN 0.195 nan 8.280 nan 0.000 0.520 397 G N 1.134 110.011 108.800 0.128 0.000 2.777 397 G HA2 -0.222 3.738 3.960 0.001 0.000 0.686 397 G HA3 -0.222 3.738 3.960 0.001 0.000 0.686 397 G C 0.426 175.367 174.900 0.069 0.000 1.177 397 G CA -0.263 44.882 45.100 0.075 0.000 0.775 397 G HN 0.182 nan 8.290 nan 0.000 0.613 398 K N 1.089 121.513 120.400 0.040 0.000 2.077 398 K HA -0.241 4.080 4.320 0.001 0.000 0.213 398 K C 2.361 178.970 176.600 0.015 0.000 1.051 398 K CA 2.471 58.772 56.287 0.024 0.000 0.929 398 K CB -0.128 32.380 32.500 0.012 0.000 0.715 398 K HN 0.718 nan 8.250 nan 0.000 0.451 399 E N 0.624 120.833 120.200 0.015 0.000 2.171 399 E HA -0.168 4.183 4.350 0.001 0.000 0.197 399 E C 1.128 177.729 176.600 0.002 0.000 0.997 399 E CA 1.187 57.591 56.400 0.007 0.000 0.810 399 E CB -0.163 29.543 29.700 0.011 0.000 0.738 399 E HN 0.331 nan 8.360 nan 0.000 0.467 400 N N 0.076 118.785 118.700 0.015 0.000 2.230 400 N HA 0.061 4.802 4.740 0.001 0.000 0.202 400 N C -0.393 175.094 175.510 -0.039 0.000 1.119 400 N CA 0.149 53.196 53.050 -0.004 0.000 0.851 400 N CB 0.918 39.420 38.487 0.025 0.000 0.990 400 N HN 0.105 nan 8.380 nan 0.000 0.497 401 I N 1.263 121.819 120.570 -0.023 0.000 2.354 401 I HA 0.250 4.421 4.170 0.001 0.000 0.292 401 I C 0.219 176.302 176.117 -0.056 0.000 0.989 401 I CA -0.549 60.727 61.300 -0.039 0.000 1.188 401 I CB 1.547 39.548 38.000 0.002 0.000 1.342 401 I HN -0.214 nan 8.210 nan 0.000 0.457 402 K N 5.313 125.668 120.400 -0.074 0.000 2.323 402 K HA 0.671 4.992 4.320 0.001 0.000 0.259 402 K C -1.438 175.083 176.600 -0.131 0.000 0.947 402 K CA -0.444 55.767 56.287 -0.127 0.000 0.819 402 K CB 1.763 34.187 32.500 -0.127 0.000 1.109 402 K HN 0.367 nan 8.250 nan 0.000 0.429 403 V N 4.843 124.637 119.914 -0.200 0.000 2.555 403 V HA 0.422 4.542 4.120 0.001 0.000 0.302 403 V C -1.223 174.715 176.094 -0.260 0.000 1.038 403 V CA -0.779 61.449 62.300 -0.120 0.000 0.887 403 V CB 1.264 33.062 31.823 -0.042 0.000 0.991 403 V HN 0.660 nan 8.190 nan 0.000 0.434 404 Y N 2.836 123.136 120.300 0.000 0.000 2.364 404 Y HA 0.555 5.106 4.550 0.000 0.000 0.340 404 Y C 0.258 176.186 175.900 0.046 0.000 0.975 404 Y CA -0.462 57.648 58.100 0.017 0.000 1.089 404 Y CB 1.831 40.295 38.460 0.007 0.000 1.192 404 Y HN 0.656 nan 8.280 nan 0.000 0.454 405 N N 0.675 119.489 118.700 0.190 0.000 2.265 405 N HA 0.692 5.433 4.740 0.001 0.000 0.300 405 N C -1.547 174.063 175.510 0.166 0.000 1.148 405 N CA -0.911 52.233 53.050 0.157 0.000 0.772 405 N CB 2.161 40.704 38.487 0.093 0.000 1.434 405 N HN 0.388 nan 8.380 nan 0.000 0.481 406 S N 0.322 116.124 115.700 0.171 0.000 2.614 406 S HA 0.449 4.920 4.470 0.001 0.000 0.275 406 S C -1.900 172.786 174.600 0.143 0.000 1.161 406 S CA -0.789 57.519 58.200 0.180 0.000 0.969 406 S CB 0.347 63.692 63.200 0.242 0.000 1.059 406 S HN 0.404 nan 8.310 nan 0.000 0.482 407 K N 3.719 124.205 120.400 0.143 0.000 2.413 407 K HA 0.709 5.030 4.320 0.001 0.000 0.257 407 K C -1.096 175.609 176.600 0.174 0.000 0.946 407 K CA -0.583 55.735 56.287 0.052 0.000 0.823 407 K CB 1.390 33.898 32.500 0.015 0.000 1.109 407 K HN 0.556 nan 8.250 nan 0.000 0.427 408 F N -2.190 117.684 119.950 -0.127 0.000 2.817 408 F HA 0.468 4.995 4.527 0.000 0.000 0.317 408 F C -1.280 174.461 175.800 -0.098 0.000 1.168 408 F CA -1.006 56.938 58.000 -0.094 0.000 0.911 408 F CB 1.246 40.198 39.000 -0.080 0.000 1.337 408 F HN 0.137 nan 8.300 nan 0.000 0.464 409 T N 2.107 116.721 114.554 0.099 0.000 2.770 409 T HA 0.723 5.074 4.350 0.001 0.000 0.283 409 T C 0.057 174.919 174.700 0.269 0.000 0.988 409 T CA -0.207 61.904 62.100 0.019 0.000 0.957 409 T CB 1.184 70.068 68.868 0.027 0.000 0.930 409 T HN 0.955 nan 8.240 nan 0.000 0.443 410 A N 3.752 126.736 122.820 0.273 0.000 2.555 410 A HA 0.174 4.494 4.320 0.001 0.000 0.233 410 A C 1.751 179.569 177.584 0.389 0.000 1.060 410 A CA -0.162 52.125 52.037 0.417 0.000 0.759 410 A CB -0.191 19.052 19.000 0.404 0.000 0.995 410 A HN 1.070 nan 8.150 nan 0.000 0.506 411 M N 1.755 121.528 119.600 0.287 0.000 2.260 411 M HA -0.191 4.289 4.480 0.001 0.000 0.261 411 M C 1.625 178.030 176.300 0.175 0.000 1.066 411 M CA 2.165 57.582 55.300 0.196 0.000 1.082 411 M CB -0.342 32.338 32.600 0.134 0.000 1.388 411 M HN 0.971 nan 8.290 nan 0.000 0.419 412 Y N 0.131 120.453 120.300 0.037 0.000 2.241 412 Y HA -0.303 4.248 4.550 0.001 0.000 0.286 412 Y C 1.149 176.926 175.900 -0.205 0.000 1.166 412 Y CA 1.964 60.006 58.100 -0.097 0.000 1.203 412 Y CB -0.591 37.700 38.460 -0.283 0.000 0.977 412 Y HN 0.318 nan 8.280 nan 0.000 0.529 413 Y N -0.653 119.656 120.300 0.015 0.000 2.546 413 Y HA 0.137 4.687 4.550 -0.000 0.000 0.287 413 Y C 2.399 178.218 175.900 -0.135 0.000 1.158 413 Y CA 0.311 58.336 58.100 -0.125 0.000 1.307 413 Y CB -0.643 37.808 38.460 -0.015 0.000 1.036 413 Y HN 0.234 nan 8.280 nan 0.000 0.532 414 A N 0.189 123.007 122.820 -0.002 0.000 1.940 414 A HA -0.194 4.126 4.320 0.001 0.000 0.219 414 A C 1.986 179.493 177.584 -0.129 0.000 1.176 414 A CA 1.516 53.535 52.037 -0.030 0.000 0.631 414 A CB -0.410 18.585 19.000 -0.008 0.000 0.814 414 A HN 0.272 nan 8.150 nan 0.000 0.446 415 M N -0.635 118.797 119.600 -0.281 0.000 2.618 415 M HA 0.321 4.801 4.480 0.001 0.000 0.240 415 M C -0.100 175.975 176.300 -0.374 0.000 1.123 415 M CA 0.495 55.539 55.300 -0.427 0.000 1.060 415 M CB -1.087 30.975 32.600 -0.895 0.000 1.535 415 M HN 0.234 nan 8.290 nan 0.000 0.507 416 L N -1.003 120.069 121.223 -0.251 0.000 2.323 416 L HA 0.352 4.692 4.340 0.001 0.000 0.265 416 L C 1.384 178.226 176.870 -0.048 0.000 1.012 416 L CA -0.455 54.290 54.840 -0.159 0.000 0.820 416 L CB 1.976 43.916 42.059 -0.200 0.000 1.334 416 L HN 0.048 nan 8.230 nan 0.000 0.427 417 S N -0.897 114.797 115.700 -0.010 0.000 2.425 417 S HA -0.000 4.470 4.470 0.001 0.000 0.225 417 S C 0.531 175.161 174.600 0.049 0.000 1.024 417 S CA -0.074 58.137 58.200 0.018 0.000 0.951 417 S CB -0.221 62.993 63.200 0.024 0.000 0.796 417 S HN 0.689 nan 8.310 nan 0.000 0.498 418 E N 1.759 122.009 120.200 0.083 0.000 2.349 418 E HA 0.438 4.788 4.350 0.001 0.000 0.265 418 E C -0.611 176.067 176.600 0.130 0.000 1.064 418 E CA -0.488 55.985 56.400 0.122 0.000 0.886 418 E CB 0.594 30.418 29.700 0.206 0.000 1.036 418 E HN 0.085 nan 8.360 nan 0.000 0.413 419 K N 0.569 120.984 120.400 0.025 0.000 2.443 419 K HA 0.513 4.833 4.320 0.001 0.000 0.251 419 K C -0.943 175.394 176.600 -0.438 0.000 0.972 419 K CA -0.960 55.180 56.287 -0.244 0.000 0.833 419 K CB 2.196 34.612 32.500 -0.141 0.000 1.317 419 K HN 0.550 nan 8.250 nan 0.000 0.441 420 S N 1.339 116.462 115.700 -0.963 0.000 2.540 420 S HA 0.645 5.115 4.470 0.001 0.000 0.275 420 S C -2.830 171.400 174.600 -0.617 0.000 1.123 420 S CA -1.298 56.449 58.200 -0.755 0.000 0.907 420 S CB 1.522 64.263 63.200 -0.764 0.000 1.081 420 S HN 0.340 nan 8.310 nan 0.000 0.476 421 P HA 0.409 nan 4.420 nan 0.000 0.286 421 P C -1.128 175.907 177.300 -0.442 0.000 1.261 421 P CA -0.362 62.497 63.100 -0.402 0.000 0.821 421 P CB 1.188 32.704 31.700 -0.306 0.000 1.013 422 T N 3.703 117.908 114.554 -0.581 0.000 2.812 422 T HA 0.471 4.821 4.350 0.001 0.000 0.282 422 T C -0.264 174.007 174.700 -0.715 0.000 0.990 422 T CA -0.608 61.027 62.100 -0.776 0.000 0.960 422 T CB 0.746 68.766 68.868 -1.413 0.000 0.948 422 T HN 0.240 nan 8.240 nan 0.000 0.438 423 R N 3.031 123.273 120.500 -0.430 0.000 2.500 423 R HA 0.311 4.651 4.340 0.001 0.000 0.299 423 R C -1.449 174.909 176.300 0.096 0.000 1.038 423 R CA -0.497 55.492 56.100 -0.186 0.000 0.903 423 R CB 1.599 31.842 30.300 -0.095 0.000 1.177 423 R HN 0.728 nan 8.270 nan 0.000 0.455 424 Y N 1.458 121.773 120.300 0.026 0.000 2.352 424 Y HA 0.429 4.980 4.550 0.002 0.000 0.339 424 Y C 0.449 176.389 175.900 0.067 0.000 0.992 424 Y CA -0.976 57.152 58.100 0.046 0.000 1.100 424 Y CB 2.979 41.490 38.460 0.084 0.000 1.192 424 Y HN 0.239 nan 8.280 nan 0.000 0.458 425 K N 4.745 125.278 120.400 0.221 0.000 2.578 425 K HA 0.513 4.834 4.320 0.001 0.000 0.250 425 K C -1.839 174.829 176.600 0.114 0.000 0.955 425 K CA -0.411 55.983 56.287 0.178 0.000 0.825 425 K CB 1.101 33.717 32.500 0.194 0.000 1.151 425 K HN 0.660 nan 8.250 nan 0.000 0.432 426 I N 4.587 125.224 120.570 0.112 0.000 2.339 426 I HA 0.268 4.438 4.170 0.001 0.000 0.290 426 I C -0.555 175.608 176.117 0.076 0.000 0.994 426 I CA -1.194 60.124 61.300 0.031 0.000 1.191 426 I CB 1.813 39.794 38.000 -0.031 0.000 1.343 426 I HN 0.219 nan 8.210 nan 0.000 0.458 427 V N 5.801 125.726 119.914 0.018 0.000 2.370 427 V HA 0.326 4.447 4.120 0.001 0.000 0.279 427 V C -0.151 175.927 176.094 -0.028 0.000 1.029 427 V CA -0.419 61.902 62.300 0.035 0.000 0.870 427 V CB 1.194 33.069 31.823 0.087 0.000 0.984 427 V HN 0.816 nan 8.190 nan 0.000 0.451 428 C N 4.114 123.400 119.300 -0.024 0.000 2.493 428 C HA 0.946 5.406 4.460 0.001 0.000 0.326 428 C C 0.524 175.431 174.990 -0.139 0.000 1.200 428 C CA -0.640 58.332 59.018 -0.076 0.000 1.739 428 C CB 1.095 28.835 27.740 -0.000 0.000 2.300 428 C HN 0.998 nan 8.230 nan 0.000 0.500 429 A N 2.053 124.728 122.820 -0.242 0.000 2.386 429 A HA 0.960 5.281 4.320 0.001 0.000 0.311 429 A C 0.003 177.408 177.584 -0.299 0.000 1.068 429 A CA 0.494 52.291 52.037 -0.401 0.000 0.743 429 A CB 0.828 19.249 19.000 -0.965 0.000 1.258 429 A HN 2.484 nan 8.150 nan 0.000 0.429 430 G N 1.941 110.611 108.800 -0.216 0.000 2.757 430 G HA2 -0.050 3.910 3.960 0.001 0.000 0.638 430 G HA3 -0.050 3.910 3.960 0.001 0.000 0.638 430 G C -1.581 173.276 174.900 -0.070 0.000 1.344 430 G CA -0.075 44.954 45.100 -0.119 0.000 0.855 430 G HN 0.786 nan 8.290 nan 0.000 0.537 431 P HA 0.030 nan 4.420 nan 0.000 0.229 431 P C 0.944 178.231 177.300 -0.022 0.000 1.160 431 P CA 0.886 63.972 63.100 -0.024 0.000 0.777 431 P CB 0.087 31.779 31.700 -0.013 0.000 0.814 432 N N 0.458 119.139 118.700 -0.031 0.000 2.336 432 N HA 0.000 4.741 4.740 0.001 0.000 0.189 432 N C 0.006 175.492 175.510 -0.041 0.000 1.113 432 N CA 0.140 53.173 53.050 -0.028 0.000 0.858 432 N CB -0.201 38.270 38.487 -0.027 0.000 0.970 432 N HN 0.241 nan 8.380 nan 0.000 0.471 433 E N 0.660 120.829 120.200 -0.052 0.000 2.320 433 E HA -0.221 4.129 4.350 0.001 0.000 0.234 433 E C -0.278 176.262 176.600 -0.100 0.000 1.183 433 E CA 0.440 56.806 56.400 -0.056 0.000 0.713 433 E CB -1.249 28.453 29.700 0.003 0.000 1.226 433 E HN 0.374 nan 8.360 nan 0.000 0.382 434 K N 1.031 121.361 120.400 -0.117 0.000 2.451 434 K HA 0.110 4.431 4.320 0.001 0.000 0.280 434 K C 0.023 176.528 176.600 -0.157 0.000 1.020 434 K CA -0.131 56.082 56.287 -0.123 0.000 1.008 434 K CB 0.679 33.114 32.500 -0.109 0.000 0.917 434 K HN -0.026 nan 8.250 nan 0.000 0.478 435 V N 6.695 126.500 119.914 -0.180 0.000 2.421 435 V HA -0.031 4.089 4.120 0.001 0.000 0.271 435 V C 1.078 177.106 176.094 -0.111 0.000 1.031 435 V CA -0.023 62.150 62.300 -0.213 0.000 1.032 435 V CB 0.680 32.283 31.823 -0.366 0.000 1.009 435 V HN 0.774 nan 8.190 nan 0.000 0.477 436 V N 1.996 121.857 119.914 -0.089 0.000 3.661 436 V HA 0.645 4.766 4.120 0.001 0.000 0.271 436 V C 0.757 176.854 176.094 0.005 0.000 1.315 436 V CA 0.643 62.933 62.300 -0.017 0.000 1.072 436 V CB 0.253 32.084 31.823 0.013 0.000 0.830 436 V HN 0.801 nan 8.190 nan 0.000 0.443 437 G N 0.648 109.419 108.800 -0.049 0.000 2.753 437 G HA2 0.618 4.578 3.960 0.001 0.000 0.297 437 G HA3 0.618 4.578 3.960 0.001 0.000 0.297 437 G C -2.197 172.493 174.900 -0.350 0.000 1.430 437 G CA -0.564 44.449 45.100 -0.145 0.000 1.040 437 G HN 0.328 nan 8.290 nan 0.000 0.530 438 L N 2.361 123.220 121.223 -0.607 0.000 2.441 438 L HA 0.692 5.032 4.340 0.001 0.000 0.270 438 L C -1.354 175.130 176.870 -0.643 0.000 0.973 438 L CA -0.817 53.746 54.840 -0.460 0.000 0.842 438 L CB 1.373 43.328 42.059 -0.174 0.000 1.239 438 L HN 0.616 nan 8.230 nan 0.000 0.406 439 H N 6.821 125.894 119.070 0.005 0.000 2.744 439 H HA 0.643 5.199 4.556 0.000 0.000 0.339 439 H C -0.794 174.545 175.328 0.017 0.000 1.004 439 H CA -0.426 55.634 56.048 0.020 0.000 1.257 439 H CB 1.987 31.779 29.762 0.052 0.000 1.552 439 H HN 0.758 nan 8.280 nan 0.000 0.522 440 I N -0.622 120.001 120.570 0.088 0.000 2.769 440 I HA 0.764 4.935 4.170 0.001 0.000 0.298 440 I C -1.177 174.982 176.117 0.071 0.000 1.128 440 I CA -1.156 60.211 61.300 0.111 0.000 1.031 440 I CB 2.592 40.557 38.000 -0.058 0.000 1.235 440 I HN 0.151 nan 8.210 nan 0.000 0.423 441 V N 3.346 123.322 119.914 0.104 0.000 2.686 441 V HA 1.001 5.121 4.120 0.001 0.000 0.306 441 V C 0.229 176.294 176.094 -0.047 0.000 1.065 441 V CA 0.107 62.395 62.300 -0.021 0.000 0.894 441 V CB 1.160 32.934 31.823 -0.083 0.000 1.004 441 V HN 1.366 nan 8.190 nan 0.000 0.424 442 G N 2.721 111.482 108.800 -0.066 0.000 2.347 442 G HA2 0.190 4.150 3.960 0.001 0.000 0.321 442 G HA3 0.190 4.150 3.960 0.001 0.000 0.321 442 G C -1.626 173.282 174.900 0.014 0.000 1.412 442 G CA -1.053 43.992 45.100 -0.091 0.000 0.990 442 G HN 0.572 nan 8.290 nan 0.000 0.637 443 D N 0.209 120.638 120.400 0.048 0.000 2.506 443 D HA 0.381 5.022 4.640 0.001 0.000 0.234 443 D C 1.320 177.703 176.300 0.138 0.000 1.143 443 D CA 1.583 55.660 54.000 0.128 0.000 0.871 443 D CB 0.952 41.841 40.800 0.149 0.000 1.190 443 D HN 1.023 nan 8.370 nan 0.000 0.459 444 S N 0.006 115.798 115.700 0.154 0.000 2.857 444 S HA -0.236 4.234 4.470 0.001 0.000 0.268 444 S C 1.725 176.379 174.600 0.090 0.000 1.297 444 S CA 1.064 59.346 58.200 0.137 0.000 1.280 444 S CB -1.133 62.151 63.200 0.140 0.000 1.562 444 S HN 0.487 nan 8.310 nan 0.000 0.661 445 S N 1.263 116.996 115.700 0.055 0.000 2.387 445 S HA -0.149 4.322 4.470 0.001 0.000 0.230 445 S C 2.308 176.861 174.600 -0.079 0.000 1.035 445 S CA 1.479 59.673 58.200 -0.010 0.000 1.014 445 S CB -0.514 62.663 63.200 -0.038 0.000 0.836 445 S HN 0.972 nan 8.310 nan 0.000 0.466 446 A N 1.587 124.320 122.820 -0.145 0.000 1.908 446 A HA -0.158 4.162 4.320 0.001 0.000 0.218 446 A C 2.071 179.623 177.584 -0.053 0.000 1.181 446 A CA 1.451 53.357 52.037 -0.218 0.000 0.627 446 A CB -0.367 18.422 19.000 -0.352 0.000 0.818 446 A HN 0.389 nan 8.150 nan 0.000 0.445 447 E N -0.570 119.644 120.200 0.023 0.000 2.250 447 E HA 0.051 4.402 4.350 0.001 0.000 0.192 447 E C 1.936 178.564 176.600 0.047 0.000 0.986 447 E CA 0.420 56.853 56.400 0.055 0.000 0.849 447 E CB -0.223 29.531 29.700 0.091 0.000 0.797 447 E HN 0.728 nan 8.360 nan 0.000 0.482 448 I N 0.829 121.429 120.570 0.050 0.000 2.315 448 I HA -0.241 3.930 4.170 0.001 0.000 0.248 448 I C 2.387 178.574 176.117 0.116 0.000 1.117 448 I CA 0.495 61.843 61.300 0.080 0.000 1.404 448 I CB -0.103 37.931 38.000 0.057 0.000 1.071 448 I HN 0.072 nan 8.210 nan 0.000 0.419 449 L N 0.733 121.983 121.223 0.046 0.000 2.046 449 L HA -0.241 4.100 4.340 0.001 0.000 0.208 449 L C 2.499 179.415 176.870 0.077 0.000 1.077 449 L CA 1.819 56.691 54.840 0.054 0.000 0.747 449 L CB -0.732 41.313 42.059 -0.023 0.000 0.896 449 L HN 0.171 nan 8.230 nan 0.000 0.432 450 Q N -0.234 119.584 119.800 0.030 0.000 2.082 450 Q HA -0.205 4.135 4.340 0.001 0.000 0.211 450 Q C 2.123 178.109 176.000 -0.023 0.000 1.002 450 Q CA 2.502 58.308 55.803 0.004 0.000 0.868 450 Q CB -1.139 27.597 28.738 -0.004 0.000 0.931 450 Q HN 0.555 nan 8.270 nan 0.000 0.414 451 G N -1.294 107.463 108.800 -0.072 0.000 2.418 451 G HA2 -0.247 3.714 3.960 0.001 0.000 0.217 451 G HA3 -0.247 3.714 3.960 0.001 0.000 0.217 451 G C 1.110 175.844 174.900 -0.276 0.000 1.158 451 G CA 0.837 45.815 45.100 -0.204 0.000 0.771 451 G HN 0.404 nan 8.290 nan 0.000 0.545 452 F N 1.703 121.560 119.950 -0.154 0.000 2.216 452 F HA 0.055 4.582 4.527 0.001 0.000 0.300 452 F C 2.846 178.606 175.800 -0.067 0.000 1.085 452 F CA 0.859 58.746 58.000 -0.188 0.000 1.326 452 F CB -0.519 38.342 39.000 -0.231 0.000 1.027 452 F HN 0.186 nan 8.300 nan 0.000 0.497 453 G N -0.183 108.675 108.800 0.097 0.000 2.418 453 G HA2 -0.207 3.753 3.960 0.001 0.000 0.217 453 G HA3 -0.207 3.753 3.960 0.001 0.000 0.217 453 G C 1.834 176.752 174.900 0.030 0.000 1.158 453 G CA 1.175 46.310 45.100 0.059 0.000 0.771 453 G HN 0.252 nan 8.290 nan 0.000 0.545 454 V N 1.451 121.357 119.914 -0.013 0.000 2.407 454 V HA -0.130 3.991 4.120 0.001 0.000 0.248 454 V C 3.289 179.375 176.094 -0.013 0.000 1.055 454 V CA 2.021 64.305 62.300 -0.026 0.000 1.049 454 V CB -0.731 31.056 31.823 -0.059 0.000 0.662 454 V HN 0.485 nan 8.190 nan 0.000 0.455 455 A N -0.360 122.447 122.820 -0.022 0.000 1.930 455 A HA -0.109 4.211 4.320 0.001 0.000 0.217 455 A C 2.170 179.820 177.584 0.111 0.000 1.175 455 A CA 1.587 53.637 52.037 0.021 0.000 0.627 455 A CB -0.461 18.524 19.000 -0.026 0.000 0.815 455 A HN 0.495 nan 8.150 nan 0.000 0.443 456 I N -0.643 120.014 120.570 0.146 0.000 2.315 456 I HA -0.183 3.988 4.170 0.001 0.000 0.248 456 I C 2.011 178.172 176.117 0.073 0.000 1.117 456 I CA 0.981 62.364 61.300 0.138 0.000 1.404 456 I CB -0.064 38.023 38.000 0.145 0.000 1.071 456 I HN 0.081 nan 8.210 nan 0.000 0.419 457 K N 0.341 120.772 120.400 0.052 0.000 2.362 457 K HA -0.002 4.319 4.320 0.001 0.000 0.200 457 K C 1.703 178.320 176.600 0.029 0.000 1.046 457 K CA 1.091 57.397 56.287 0.033 0.000 0.952 457 K CB -0.141 32.370 32.500 0.019 0.000 0.753 457 K HN 0.394 nan 8.250 nan 0.000 0.466 458 M N -0.812 118.807 119.600 0.033 0.000 2.561 458 M HA 0.073 4.553 4.480 0.001 0.000 0.238 458 M C 0.486 176.807 176.300 0.033 0.000 1.131 458 M CA 0.431 55.747 55.300 0.027 0.000 1.046 458 M CB 0.469 33.081 32.600 0.021 0.000 1.532 458 M HN 0.256 nan 8.290 nan 0.000 0.497 459 G N 1.364 110.189 108.800 0.041 0.000 2.171 459 G HA2 -0.162 3.798 3.960 0.001 0.000 0.238 459 G HA3 -0.162 3.798 3.960 0.001 0.000 0.238 459 G C 0.089 175.011 174.900 0.038 0.000 1.039 459 G CA -0.032 45.088 45.100 0.033 0.000 0.759 459 G HN 0.683 nan 8.290 nan 0.000 0.501 460 A N 0.195 123.060 122.820 0.075 0.000 2.531 460 A HA 0.653 4.973 4.320 0.001 0.000 0.236 460 A C 1.123 178.714 177.584 0.011 0.000 1.062 460 A CA 1.427 53.530 52.037 0.110 0.000 0.760 460 A CB 0.213 19.391 19.000 0.297 0.000 0.995 460 A HN 1.944 nan 8.150 nan 0.000 0.501 461 T N -0.533 114.014 114.554 -0.012 0.000 2.937 461 T HA 0.481 4.831 4.350 0.001 0.000 0.283 461 T C 0.983 175.576 174.700 -0.179 0.000 1.012 461 T CA -0.356 61.687 62.100 -0.097 0.000 0.997 461 T CB 1.154 69.992 68.868 -0.050 0.000 1.136 461 T HN 0.504 nan 8.240 nan 0.000 0.551 462 K N 0.818 121.077 120.400 -0.234 0.000 2.063 462 K HA 0.041 4.361 4.320 0.001 0.000 0.208 462 K C 2.346 178.881 176.600 -0.108 0.000 1.048 462 K CA 1.956 58.065 56.287 -0.295 0.000 0.928 462 K CB -1.236 31.098 32.500 -0.276 0.000 0.713 462 K HN 0.736 nan 8.250 nan 0.000 0.442 463 A N 0.912 123.702 122.820 -0.050 0.000 1.978 463 A HA -0.185 4.135 4.320 0.001 0.000 0.220 463 A C 1.754 179.369 177.584 0.051 0.000 1.170 463 A CA 2.031 54.068 52.037 0.000 0.000 0.636 463 A CB -0.608 18.392 19.000 0.001 0.000 0.810 463 A HN 0.446 nan 8.150 nan 0.000 0.448 464 D N -0.883 119.569 120.400 0.087 0.000 2.117 464 D HA -0.099 4.541 4.640 0.001 0.000 0.198 464 D C 1.599 178.048 176.300 0.248 0.000 0.982 464 D CA 0.986 55.073 54.000 0.146 0.000 0.828 464 D CB -0.376 40.524 40.800 0.167 0.000 0.967 464 D HN 0.398 nan 8.370 nan 0.000 0.464 465 F N 1.902 121.855 119.950 0.005 0.000 2.126 465 F HA -0.147 4.380 4.527 0.000 0.000 0.299 465 F C 2.068 177.879 175.800 0.019 0.000 1.096 465 F CA 0.945 58.974 58.000 0.049 0.000 1.255 465 F CB -0.660 38.358 39.000 0.030 0.000 0.997 465 F HN -0.096 nan 8.300 nan 0.000 0.479 466 D N -0.946 119.561 120.400 0.179 0.000 2.348 466 D HA -0.126 4.514 4.640 0.001 0.000 0.216 466 D C 1.530 177.861 176.300 0.050 0.000 0.970 466 D CA 0.643 54.688 54.000 0.076 0.000 0.889 466 D CB -0.545 40.270 40.800 0.025 0.000 0.912 466 D HN 0.181 nan 8.370 nan 0.000 0.524 467 N N -0.259 118.474 118.700 0.054 0.000 2.370 467 N HA -0.031 4.709 4.740 0.001 0.000 0.198 467 N C -1.029 174.486 175.510 0.007 0.000 1.156 467 N CA -0.070 52.995 53.050 0.026 0.000 0.839 467 N CB 0.080 38.582 38.487 0.026 0.000 0.989 467 N HN -0.000 nan 8.380 nan 0.000 0.468 468 C N 0.456 119.757 119.300 0.002 0.000 2.369 468 C HA 0.555 5.016 4.460 0.001 0.000 0.322 468 C C 0.234 175.220 174.990 -0.007 0.000 1.258 468 C CA -0.826 58.179 59.018 -0.022 0.000 1.487 468 C CB -0.094 27.607 27.740 -0.066 0.000 2.165 468 C HN -0.004 nan 8.230 nan 0.000 0.483 469 V N 5.787 125.697 119.914 -0.008 0.000 2.872 469 V HA 0.331 4.452 4.120 0.001 0.000 0.307 469 V C 1.198 177.296 176.094 0.008 0.000 1.072 469 V CA 0.578 62.879 62.300 0.001 0.000 1.148 469 V CB 0.678 32.501 31.823 -0.001 0.000 0.954 469 V HN 1.133 nan 8.190 nan 0.000 0.490 470 A N 5.446 128.278 122.820 0.020 0.000 2.332 470 A HA 0.627 4.948 4.320 0.001 0.000 0.258 470 A C -0.270 177.346 177.584 0.054 0.000 1.087 470 A CA -0.380 51.682 52.037 0.042 0.000 0.802 470 A CB 0.081 19.108 19.000 0.045 0.000 1.042 470 A HN 0.721 nan 8.150 nan 0.000 0.489 471 I N 1.254 121.868 120.570 0.072 0.000 2.339 471 I HA 0.290 4.461 4.170 0.001 0.000 0.290 471 I C -0.285 175.911 176.117 0.131 0.000 0.994 471 I CA -0.132 61.215 61.300 0.079 0.000 1.191 471 I CB 1.130 39.161 38.000 0.052 0.000 1.343 471 I HN 0.781 nan 8.210 nan 0.000 0.458 472 H N 7.234 126.316 119.070 0.020 0.000 2.538 472 H HA 0.621 5.177 4.556 0.000 0.000 0.353 472 H C -2.528 172.816 175.328 0.026 0.000 1.109 472 H CA -1.816 54.245 56.048 0.021 0.000 1.192 472 H CB 1.702 31.470 29.762 0.010 0.000 1.555 472 H HN 0.324 nan 8.280 nan 0.000 0.518 473 P HA 0.346 nan 4.420 nan 0.000 0.297 473 P C -1.247 175.957 177.300 -0.161 0.000 1.319 473 P CA -0.619 62.089 63.100 -0.654 0.000 0.810 473 P CB 1.556 32.865 31.700 -0.651 0.000 0.947 474 T N -2.135 112.403 114.554 -0.026 0.000 2.787 474 T HA 0.396 4.747 4.350 0.001 0.000 0.297 474 T C 0.655 175.447 174.700 0.153 0.000 1.221 474 T CA -0.496 61.649 62.100 0.076 0.000 1.006 474 T CB 1.051 69.975 68.868 0.093 0.000 1.328 474 T HN -0.023 nan 8.240 nan 0.000 0.509 475 S N -0.024 115.823 115.700 0.244 0.000 2.371 475 S HA 0.186 4.656 4.470 0.001 0.000 0.221 475 S C 2.525 177.405 174.600 0.466 0.000 1.036 475 S CA 0.755 59.208 58.200 0.422 0.000 0.965 475 S CB -0.867 62.619 63.200 0.477 0.000 0.845 475 S HN 0.936 nan 8.310 nan 0.000 0.475 476 A N 1.886 124.907 122.820 0.334 0.000 1.927 476 A HA -0.264 4.056 4.320 0.001 0.000 0.220 476 A C 1.920 179.647 177.584 0.237 0.000 1.185 476 A CA 2.087 54.278 52.037 0.258 0.000 0.639 476 A CB -0.859 18.270 19.000 0.214 0.000 0.820 476 A HN 0.635 nan 8.150 nan 0.000 0.451 477 E N -0.440 119.878 120.200 0.197 0.000 2.169 477 E HA -0.294 4.056 4.350 0.001 0.000 0.202 477 E C 1.670 178.345 176.600 0.124 0.000 1.016 477 E CA 1.610 58.096 56.400 0.144 0.000 0.817 477 E CB -0.129 29.650 29.700 0.131 0.000 0.736 477 E HN 0.609 nan 8.360 nan 0.000 0.462 478 E N 0.238 120.527 120.200 0.149 0.000 2.204 478 E HA -0.169 4.182 4.350 0.001 0.000 0.195 478 E C 2.198 178.914 176.600 0.193 0.000 0.990 478 E CA 0.669 57.143 56.400 0.123 0.000 0.821 478 E CB -0.180 29.576 29.700 0.093 0.000 0.750 478 E HN 0.464 nan 8.360 nan 0.000 0.477 479 L N 0.503 121.823 121.223 0.162 0.000 2.275 479 L HA -0.090 4.251 4.340 0.001 0.000 0.215 479 L C 2.084 179.019 176.870 0.108 0.000 1.119 479 L CA 0.664 55.506 54.840 0.002 0.000 0.790 479 L CB -0.172 41.590 42.059 -0.495 0.000 0.919 479 L HN 0.029 nan 8.230 nan 0.000 0.443 480 V N -4.721 115.270 119.914 0.128 0.000 3.376 480 V HA 0.170 4.290 4.120 0.001 0.000 0.313 480 V C 0.904 177.042 176.094 0.073 0.000 1.393 480 V CA 0.527 62.904 62.300 0.128 0.000 1.125 480 V CB -0.274 31.612 31.823 0.106 0.000 1.037 480 V HN 0.410 nan 8.190 nan 0.000 0.440 481 T N -3.043 111.543 114.554 0.055 0.000 3.748 481 T HA 0.510 4.860 4.350 0.001 0.000 0.281 481 T C -0.254 174.460 174.700 0.022 0.000 0.977 481 T CA -0.236 61.878 62.100 0.023 0.000 1.056 481 T CB -0.072 68.802 68.868 0.010 0.000 1.138 481 T HN 0.253 nan 8.240 nan 0.000 0.498 482 M N 1.670 121.278 119.600 0.013 0.000 2.283 482 M HA 0.567 5.047 4.480 0.001 0.000 0.314 482 M C 0.853 177.221 176.300 0.112 0.000 1.153 482 M CA -0.731 54.603 55.300 0.056 0.000 1.084 482 M CB 0.975 33.611 32.600 0.058 0.000 1.468 482 M HN 0.381 nan 8.290 nan 0.000 0.474 483 R N 0.000 120.644 120.500 0.240 0.000 2.786 483 R HA 0.000 4.340 4.340 0.001 0.000 0.208 483 R CA 0.000 56.239 56.100 0.232 0.000 0.921 483 R CB 0.000 30.475 30.300 0.291 0.000 0.687 483 R HN 0.000 nan 8.270 nan 0.000 0.535