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 3mqt_1_I DATA FIRST_RESID 5 DATA SEQUENCE ANIVSVEFIP VNVAXXXXSE NTVIVKVTDE NGVYGLGEAD GPPECMKAFS DATA SEQUENCE EIENEHKWLN NIKEAVIGRD PLEFRANYNR MYDTTKWIGM RGLGLFAISG DATA SEQUENCE IDMALYDLAG KQLGVPAYKL MGGAQKAQLT PYFTLYPSVA ADATLSEIVE DATA SEQUENCE AYKPLIAKAK ERGAKAVKVC IIPNDKVSDK EIVAYLRELR EVIGWDMDMM DATA SEQUENCE VDCLYRWTDW QKARWTFRQL EDIDLYFIEA CLQHDDLIGH QKLAAAINTR DATA SEQUENCE LCGAEMSTTR FEAQEWLEKT GISVVQSDYN RCGGVTELLR IMDICEHHNA DATA SEQUENCE QLMPHNWKTG ITAAAARHFG IVCHISEYVE YLHPDFWNGT LTQQLTLNEP DATA SEQUENCE KIIDGAIEVS DKPGLGIELN IEFVEQVTGH KF 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 5 A HA 0.000 nan 4.320 nan 0.000 0.244 5 A C 0.000 177.573 177.584 -0.019 0.000 1.274 5 A CA 0.000 52.027 52.037 -0.017 0.000 0.836 5 A CB 0.000 18.994 19.000 -0.011 0.000 0.831 6 N N 0.499 119.190 118.700 -0.014 0.000 2.493 6 N HA 0.527 5.267 4.740 -0.000 0.000 0.275 6 N C -0.093 175.415 175.510 -0.003 0.000 1.186 6 N CA -0.306 52.735 53.050 -0.014 0.000 0.978 6 N CB 0.780 39.260 38.487 -0.012 0.000 1.184 6 N HN 0.640 nan 8.380 nan 0.000 0.487 7 I N 1.145 121.715 120.570 -0.000 0.000 2.618 7 I HA -0.061 4.109 4.170 -0.000 0.000 0.284 7 I C 1.326 177.451 176.117 0.014 0.000 1.146 7 I CA -0.001 61.308 61.300 0.014 0.000 1.425 7 I CB 0.653 38.666 38.000 0.022 0.000 1.383 7 I HN 0.237 nan 8.210 nan 0.000 0.562 8 V N 4.056 123.981 119.914 0.019 0.000 3.379 8 V HA 0.090 4.210 4.120 -0.000 0.000 0.249 8 V C 0.445 176.549 176.094 0.016 0.000 1.184 8 V CA 0.827 63.135 62.300 0.013 0.000 1.106 8 V CB 0.560 32.390 31.823 0.010 0.000 0.826 8 V HN 0.900 nan 8.190 nan 0.000 0.465 9 S N -1.129 114.587 115.700 0.027 0.000 2.565 9 S HA 0.738 5.207 4.470 -0.000 0.000 0.269 9 S C -1.479 173.154 174.600 0.054 0.000 1.153 9 S CA -0.570 57.648 58.200 0.030 0.000 0.835 9 S CB 2.425 65.632 63.200 0.011 0.000 1.122 9 S HN -0.103 nan 8.310 nan 0.000 0.462 10 V N 1.240 121.199 119.914 0.075 0.000 2.668 10 V HA 0.635 4.755 4.120 -0.000 0.000 0.304 10 V C -0.861 175.332 176.094 0.164 0.000 1.071 10 V CA -0.378 62.003 62.300 0.135 0.000 0.894 10 V CB 1.619 33.557 31.823 0.191 0.000 1.008 10 V HN 0.995 nan 8.190 nan 0.000 0.425 11 E N 3.460 123.766 120.200 0.177 0.000 2.224 11 E HA 0.535 4.885 4.350 -0.000 0.000 0.265 11 E C -1.644 175.140 176.600 0.305 0.000 0.878 11 E CA -0.573 55.941 56.400 0.189 0.000 0.759 11 E CB 1.623 31.349 29.700 0.044 0.000 1.164 11 E HN 0.581 nan 8.360 nan 0.000 0.414 12 F N 4.818 124.796 119.950 0.047 0.000 2.411 12 F HA 0.384 4.910 4.527 -0.001 0.000 0.355 12 F C 0.228 176.062 175.800 0.057 0.000 1.117 12 F CA -0.654 57.387 58.000 0.067 0.000 1.139 12 F CB 0.793 39.845 39.000 0.088 0.000 1.120 12 F HN 0.303 nan 8.300 nan 0.000 0.493 13 I N 6.185 126.849 120.570 0.157 0.000 2.405 13 I HA 0.269 4.439 4.170 -0.000 0.000 0.280 13 I C -2.483 173.696 176.117 0.104 0.000 1.027 13 I CA -2.320 59.052 61.300 0.121 0.000 1.161 13 I CB 1.193 39.260 38.000 0.112 0.000 1.300 13 I HN 0.262 nan 8.210 nan 0.000 0.463 14 P HA 0.091 nan 4.420 nan 0.000 0.271 14 P C -0.642 176.694 177.300 0.061 0.000 1.226 14 P CA -0.056 63.099 63.100 0.091 0.000 0.765 14 P CB 0.794 32.548 31.700 0.090 0.000 0.835 15 V N 4.886 124.834 119.914 0.057 0.000 2.349 15 V HA 0.320 4.439 4.120 -0.000 0.000 0.284 15 V C 0.040 176.164 176.094 0.050 0.000 1.014 15 V CA -0.373 61.951 62.300 0.040 0.000 0.826 15 V CB 1.095 32.951 31.823 0.055 0.000 1.009 15 V HN 0.516 nan 8.190 nan 0.000 0.431 16 N N 3.628 122.345 118.700 0.030 0.000 2.524 16 N HA 0.413 5.153 4.740 -0.000 0.000 0.261 16 N C -1.013 174.517 175.510 0.034 0.000 0.998 16 N CA -0.161 52.914 53.050 0.042 0.000 0.915 16 N CB 2.259 40.769 38.487 0.037 0.000 1.187 16 N HN 0.396 nan 8.380 nan 0.000 0.507 17 V N 2.634 122.588 119.914 0.067 0.000 2.406 17 V HA 0.405 4.525 4.120 -0.000 0.000 0.272 17 V C 0.934 177.066 176.094 0.064 0.000 1.043 17 V CA -0.693 61.652 62.300 0.076 0.000 0.915 17 V CB 0.800 32.714 31.823 0.152 0.000 0.988 17 V HN 0.674 nan 8.190 nan 0.000 0.466 24 E N 1.101 121.376 120.200 0.125 0.000 2.279 24 E HA 0.622 4.972 4.350 -0.000 0.000 0.252 24 E C -0.943 175.727 176.600 0.117 0.000 0.894 24 E CA -0.274 56.210 56.400 0.141 0.000 0.785 24 E CB 0.637 30.421 29.700 0.140 0.000 1.237 24 E HN 0.823 nan 8.360 nan 0.000 0.418 25 N N 1.405 120.171 118.700 0.110 0.000 2.961 25 N HA 0.557 5.297 4.740 -0.000 0.000 0.245 25 N C -1.470 174.088 175.510 0.080 0.000 1.404 25 N CA -0.772 52.334 53.050 0.092 0.000 0.880 25 N CB 2.046 40.583 38.487 0.083 0.000 1.461 25 N HN 0.218 nan 8.380 nan 0.000 0.510 26 T N -0.944 113.653 114.554 0.071 0.000 2.792 26 T HA 0.601 4.951 4.350 -0.000 0.000 0.303 26 T C -1.951 172.783 174.700 0.056 0.000 1.310 26 T CA -0.542 61.590 62.100 0.053 0.000 1.007 26 T CB 1.230 70.119 68.868 0.035 0.000 1.335 26 T HN 0.402 nan 8.240 nan 0.000 0.504 27 V N 3.545 123.483 119.914 0.041 0.000 2.334 27 V HA 0.495 4.615 4.120 -0.000 0.000 0.281 27 V C 0.125 176.198 176.094 -0.035 0.000 1.016 27 V CA -0.738 61.583 62.300 0.034 0.000 0.832 27 V CB 1.023 32.889 31.823 0.072 0.000 0.999 27 V HN 0.702 nan 8.190 nan 0.000 0.439 28 I N 5.137 125.701 120.570 -0.010 0.000 2.416 28 I HA 0.254 4.424 4.170 -0.000 0.000 0.288 28 I C -0.227 175.828 176.117 -0.104 0.000 1.051 28 I CA -0.194 61.093 61.300 -0.022 0.000 1.375 28 I CB 1.419 39.453 38.000 0.056 0.000 1.407 28 I HN 0.264 nan 8.210 nan 0.000 0.516 29 V N 7.336 127.153 119.914 -0.162 0.000 2.357 29 V HA 0.285 4.405 4.120 -0.000 0.000 0.284 29 V C 0.032 176.096 176.094 -0.049 0.000 1.018 29 V CA -0.670 61.477 62.300 -0.255 0.000 0.841 29 V CB 1.499 33.056 31.823 -0.443 0.000 0.991 29 V HN 0.634 nan 8.190 nan 0.000 0.437 30 K N 4.567 124.964 120.400 -0.006 0.000 2.394 30 K HA 0.700 5.020 4.320 -0.000 0.000 0.260 30 K C -1.549 175.084 176.600 0.055 0.000 0.967 30 K CA -0.460 55.843 56.287 0.026 0.000 0.855 30 K CB 1.820 34.259 32.500 -0.101 0.000 1.101 30 K HN 0.471 nan 8.250 nan 0.000 0.433 31 V N 3.780 123.761 119.914 0.112 0.000 2.384 31 V HA 0.336 4.456 4.120 -0.000 0.000 0.287 31 V C -0.498 175.676 176.094 0.133 0.000 1.020 31 V CA -0.661 61.705 62.300 0.111 0.000 0.850 31 V CB 1.672 33.563 31.823 0.114 0.000 0.987 31 V HN 0.837 nan 8.190 nan 0.000 0.436 32 T N 3.942 118.554 114.554 0.096 0.000 2.797 32 T HA 0.472 4.822 4.350 -0.000 0.000 0.279 32 T C -0.408 174.330 174.700 0.064 0.000 0.991 32 T CA -0.626 61.536 62.100 0.103 0.000 0.979 32 T CB 1.425 70.332 68.868 0.065 0.000 0.943 32 T HN 0.894 nan 8.240 nan 0.000 0.444 33 D N 0.779 121.213 120.400 0.056 0.000 2.423 33 D HA 0.119 4.759 4.640 -0.000 0.000 0.255 33 D C 1.221 177.535 176.300 0.023 0.000 1.174 33 D CA -0.887 53.130 54.000 0.029 0.000 1.008 33 D CB 0.635 41.444 40.800 0.015 0.000 1.101 33 D HN 0.632 nan 8.370 nan 0.000 0.516 34 E N -0.605 119.602 120.200 0.012 0.000 2.472 34 E HA -0.157 4.193 4.350 -0.000 0.000 0.200 34 E C 0.342 176.948 176.600 0.010 0.000 1.046 34 E CA 0.358 56.764 56.400 0.009 0.000 0.871 34 E CB -0.433 29.269 29.700 0.003 0.000 0.806 34 E HN 0.275 nan 8.360 nan 0.000 0.533 35 N N 0.437 119.143 118.700 0.011 0.000 2.336 35 N HA 0.042 4.782 4.740 -0.000 0.000 0.189 35 N C 1.123 176.645 175.510 0.020 0.000 1.113 35 N CA 0.924 53.980 53.050 0.010 0.000 0.858 35 N CB 1.150 39.639 38.487 0.003 0.000 0.970 35 N HN 0.474 nan 8.380 nan 0.000 0.471 36 G N -0.203 108.617 108.800 0.033 0.000 2.195 36 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.246 36 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.246 36 G C 0.085 175.038 174.900 0.089 0.000 0.984 36 G CA 0.225 45.361 45.100 0.060 0.000 0.633 36 G HN 0.175 nan 8.290 nan 0.000 0.525 37 V N 1.578 121.514 119.914 0.035 0.000 2.715 37 V HA 0.535 4.655 4.120 -0.000 0.000 0.299 37 V C 0.319 176.439 176.094 0.044 0.000 1.054 37 V CA 0.422 62.706 62.300 -0.027 0.000 1.077 37 V CB 0.255 32.046 31.823 -0.054 0.000 0.972 37 V HN 0.742 nan 8.190 nan 0.000 0.484 38 Y N 1.725 122.043 120.300 0.029 0.000 2.545 38 Y HA 0.912 5.462 4.550 -0.000 0.000 0.348 38 Y C 0.079 176.011 175.900 0.054 0.000 1.002 38 Y CA -1.160 56.960 58.100 0.033 0.000 1.039 38 Y CB 1.677 40.148 38.460 0.020 0.000 1.271 38 Y HN 0.727 nan 8.280 nan 0.000 0.467 39 G N 2.123 111.069 108.800 0.243 0.000 2.454 39 G HA2 0.682 4.642 3.960 -0.000 0.000 0.329 39 G HA3 0.682 4.642 3.960 -0.000 0.000 0.329 39 G C -1.847 173.219 174.900 0.276 0.000 1.177 39 G CA -1.235 43.985 45.100 0.199 0.000 0.951 39 G HN 0.750 nan 8.290 nan 0.000 0.485 40 L N 0.358 121.711 121.223 0.218 0.000 2.365 40 L HA 0.810 5.150 4.340 -0.000 0.000 0.273 40 L C 0.594 177.523 176.870 0.098 0.000 1.000 40 L CA -0.627 54.319 54.840 0.177 0.000 0.819 40 L CB 2.349 44.528 42.059 0.200 0.000 1.284 40 L HN 0.775 nan 8.230 nan 0.000 0.418 41 G N 1.224 110.055 108.800 0.051 0.000 2.766 41 G HA2 0.721 4.681 3.960 -0.000 0.000 0.288 41 G HA3 0.721 4.681 3.960 -0.000 0.000 0.288 41 G C -1.882 172.999 174.900 -0.032 0.000 1.408 41 G CA -0.393 44.718 45.100 0.017 0.000 0.852 41 G HN 0.612 nan 8.290 nan 0.000 0.487 42 E N -1.332 118.845 120.200 -0.039 0.000 2.340 42 E HA 0.692 5.042 4.350 -0.000 0.000 0.273 42 E C -0.908 175.662 176.600 -0.049 0.000 0.891 42 E CA -1.167 55.197 56.400 -0.060 0.000 0.757 42 E CB 2.322 31.999 29.700 -0.037 0.000 1.231 42 E HN 0.791 nan 8.360 nan 0.000 0.439 43 A N 2.157 124.942 122.820 -0.059 0.000 2.337 43 A HA 0.443 4.763 4.320 -0.000 0.000 0.329 43 A C -0.709 176.881 177.584 0.010 0.000 1.146 43 A CA -0.721 51.319 52.037 0.004 0.000 0.800 43 A CB 1.434 20.461 19.000 0.044 0.000 1.220 43 A HN 0.720 nan 8.150 nan 0.000 0.472 44 D N 0.083 120.446 120.400 -0.063 0.000 2.371 44 D HA 0.539 5.178 4.640 -0.000 0.000 0.242 44 D C 0.665 176.986 176.300 0.035 0.000 1.218 44 D CA 1.646 55.546 54.000 -0.167 0.000 0.945 44 D CB 0.991 41.450 40.800 -0.567 0.000 1.137 44 D HN 1.413 nan 8.370 nan 0.000 0.464 45 G N 0.630 109.466 108.800 0.060 0.000 2.515 45 G HA2 -0.028 3.932 3.960 -0.000 0.000 0.686 45 G HA3 -0.028 3.932 3.960 -0.000 0.000 0.686 45 G C -2.818 172.169 174.900 0.146 0.000 1.274 45 G CA -1.004 44.226 45.100 0.216 0.000 0.874 45 G HN 0.486 nan 8.290 nan 0.000 0.631 46 P HA 0.246 nan 4.420 nan 0.000 0.262 46 P C -1.783 175.588 177.300 0.119 0.000 1.199 46 P CA -0.901 62.263 63.100 0.107 0.000 0.763 46 P CB 0.581 32.336 31.700 0.092 0.000 0.790 47 P HA -0.218 nan 4.420 nan 0.000 0.213 47 P C 1.448 178.826 177.300 0.130 0.000 1.170 47 P CA 1.606 64.779 63.100 0.121 0.000 0.902 47 P CB -0.009 31.748 31.700 0.096 0.000 0.789 48 E N -1.136 119.125 120.200 0.101 0.000 2.153 48 E HA -0.178 4.171 4.350 -0.000 0.000 0.194 48 E C 2.201 178.861 176.600 0.099 0.000 0.988 48 E CA 0.887 57.341 56.400 0.091 0.000 0.811 48 E CB -1.341 28.399 29.700 0.067 0.000 0.746 48 E HN 0.254 nan 8.360 nan 0.000 0.466 49 C N 0.509 119.872 119.300 0.104 0.000 2.457 49 C HA -0.067 4.393 4.460 -0.000 0.000 0.278 49 C C 2.498 177.578 174.990 0.149 0.000 1.309 49 C CA 0.389 59.472 59.018 0.109 0.000 1.735 49 C CB -0.701 27.096 27.740 0.095 0.000 1.992 49 C HN 0.292 nan 8.230 nan 0.000 0.493 50 M N 1.046 120.752 119.600 0.177 0.000 2.117 50 M HA -0.095 4.385 4.480 -0.000 0.000 0.262 50 M C 2.137 178.577 176.300 0.233 0.000 1.065 50 M CA 1.557 57.004 55.300 0.245 0.000 1.114 50 M CB -1.603 31.192 32.600 0.326 0.000 1.361 50 M HN 0.492 nan 8.290 nan 0.000 0.408 51 K N 0.054 120.577 120.400 0.206 0.000 2.032 51 K HA -0.115 4.205 4.320 -0.000 0.000 0.209 51 K C 1.987 178.597 176.600 0.017 0.000 1.048 51 K CA 1.628 57.988 56.287 0.122 0.000 0.927 51 K CB -0.057 32.523 32.500 0.132 0.000 0.712 51 K HN 0.256 nan 8.250 nan 0.000 0.441 52 A N 0.629 123.479 122.820 0.050 0.000 1.902 52 A HA -0.183 4.137 4.320 -0.000 0.000 0.217 52 A C 1.996 179.569 177.584 -0.018 0.000 1.181 52 A CA 1.389 53.434 52.037 0.013 0.000 0.623 52 A CB -0.858 18.161 19.000 0.032 0.000 0.818 52 A HN 0.505 nan 8.150 nan 0.000 0.443 53 F N 2.052 121.944 119.950 -0.096 0.000 2.120 53 F HA -0.270 4.256 4.527 -0.000 0.000 0.300 53 F C 2.706 178.367 175.800 -0.231 0.000 1.095 53 F CA 2.281 60.204 58.000 -0.128 0.000 1.249 53 F CB -0.164 38.781 39.000 -0.093 0.000 0.995 53 F HN 0.327 nan 8.300 nan 0.000 0.480 54 S N -1.036 114.531 115.700 -0.223 0.000 2.515 54 S HA -0.091 4.379 4.470 -0.000 0.000 0.231 54 S C 1.068 175.476 174.600 -0.321 0.000 0.987 54 S CA 1.039 58.938 58.200 -0.501 0.000 0.936 54 S CB -0.489 62.001 63.200 -1.184 0.000 0.766 54 S HN 0.642 nan 8.310 nan 0.000 0.528 55 E N 1.173 121.233 120.200 -0.233 0.000 2.685 55 E HA 0.335 4.685 4.350 -0.000 0.000 0.208 55 E C 0.128 176.631 176.600 -0.162 0.000 0.996 55 E CA -0.400 55.903 56.400 -0.161 0.000 1.054 55 E CB 0.409 30.049 29.700 -0.100 0.000 1.075 55 E HN 0.775 nan 8.360 nan 0.000 0.460 56 I N -1.735 118.696 120.570 -0.232 0.000 3.004 56 I HA 0.296 4.465 4.170 -0.000 0.000 0.287 56 I C 0.356 176.367 176.117 -0.176 0.000 1.144 56 I CA -0.737 60.432 61.300 -0.218 0.000 1.353 56 I CB 0.731 38.539 38.000 -0.320 0.000 1.417 56 I HN -0.218 nan 8.210 nan 0.000 0.602 57 E N 2.802 122.915 120.200 -0.144 0.000 2.277 57 E HA 0.272 4.622 4.350 -0.000 0.000 0.274 57 E C -0.716 175.799 176.600 -0.141 0.000 1.022 57 E CA -0.528 55.799 56.400 -0.122 0.000 0.853 57 E CB 0.676 30.320 29.700 -0.093 0.000 1.086 57 E HN 0.576 nan 8.360 nan 0.000 0.397 58 N N 2.470 121.092 118.700 -0.130 0.000 2.395 58 N HA -0.029 4.711 4.740 -0.000 0.000 0.246 58 N C 0.208 175.629 175.510 -0.148 0.000 1.246 58 N CA 0.543 53.506 53.050 -0.146 0.000 0.879 58 N CB 0.647 39.062 38.487 -0.121 0.000 1.098 58 N HN 0.580 nan 8.380 nan 0.000 0.444 59 E N -0.101 119.979 120.200 -0.201 0.000 2.940 59 E HA 0.040 4.389 4.350 -0.000 0.000 0.203 59 E C -0.379 176.150 176.600 -0.118 0.000 0.995 59 E CA 0.143 56.437 56.400 -0.178 0.000 1.396 59 E CB 0.468 30.037 29.700 -0.219 0.000 1.310 59 E HN 0.833 nan 8.360 nan 0.000 0.613 60 H N -1.304 117.680 119.070 -0.144 0.000 2.905 60 H HA 0.353 4.909 4.556 -0.001 0.000 0.280 60 H C 0.191 175.386 175.328 -0.221 0.000 1.445 60 H CA -0.790 55.152 56.048 -0.178 0.000 1.165 60 H CB 0.918 30.567 29.762 -0.188 0.000 1.857 60 H HN -0.153 nan 8.280 nan 0.000 0.567 61 K N -0.542 119.789 120.400 -0.115 0.000 2.211 61 K HA -0.081 4.239 4.320 -0.000 0.000 0.204 61 K C -0.130 176.160 176.600 -0.515 0.000 1.047 61 K CA 1.728 57.720 56.287 -0.491 0.000 0.935 61 K CB 0.053 31.963 32.500 -0.983 0.000 0.728 61 K HN 0.651 nan 8.250 nan 0.000 0.452 62 W N 0.365 121.782 121.300 0.195 0.000 2.991 62 W HA 0.254 4.914 4.660 0.001 0.000 0.391 62 W C -0.201 176.321 176.519 0.006 0.000 1.054 62 W CA -0.424 57.010 57.345 0.148 0.000 1.856 62 W CB 0.239 29.879 29.460 0.301 0.000 1.132 62 W HN -0.054 nan 8.180 nan 0.000 0.601 63 L N 2.800 123.890 121.223 -0.222 0.000 2.490 63 L HA 0.368 4.708 4.340 -0.000 0.000 0.256 63 L C -0.757 175.927 176.870 -0.308 0.000 1.089 63 L CA 0.136 54.768 54.840 -0.346 0.000 0.916 63 L CB 0.039 41.648 42.059 -0.749 0.000 1.188 63 L HN -0.218 nan 8.230 nan 0.000 0.476 64 N N 1.632 120.223 118.700 -0.183 0.000 2.381 64 N HA 0.255 4.995 4.740 -0.000 0.000 0.294 64 N C -0.930 174.476 175.510 -0.172 0.000 1.216 64 N CA -0.784 52.165 53.050 -0.168 0.000 0.803 64 N CB 1.876 40.288 38.487 -0.124 0.000 1.372 64 N HN 0.420 nan 8.380 nan 0.000 0.500 65 N N 1.726 120.325 118.700 -0.168 0.000 2.440 65 N HA -0.043 4.697 4.740 -0.000 0.000 0.265 65 N C 1.091 176.533 175.510 -0.113 0.000 1.239 65 N CA 0.064 53.007 53.050 -0.178 0.000 0.909 65 N CB 0.652 39.051 38.487 -0.148 0.000 1.066 65 N HN 0.627 nan 8.380 nan 0.000 0.474 66 I N 4.835 125.342 120.570 -0.104 0.000 2.264 66 I HA -0.299 3.871 4.170 -0.000 0.000 0.248 66 I C 1.822 177.960 176.117 0.035 0.000 1.111 66 I CA 1.408 62.715 61.300 0.011 0.000 1.382 66 I CB 0.103 38.179 38.000 0.126 0.000 1.060 66 I HN 0.599 nan 8.210 nan 0.000 0.418 67 K N 0.484 120.893 120.400 0.014 0.000 2.160 67 K HA -0.239 4.081 4.320 -0.000 0.000 0.206 67 K C 1.805 178.418 176.600 0.022 0.000 1.047 67 K CA 1.816 58.126 56.287 0.039 0.000 0.930 67 K CB -0.263 32.248 32.500 0.018 0.000 0.720 67 K HN 0.530 nan 8.250 nan 0.000 0.450 68 E N 0.286 120.481 120.200 -0.008 0.000 2.347 68 E HA -0.087 4.263 4.350 -0.000 0.000 0.196 68 E C 1.807 178.405 176.600 -0.003 0.000 1.008 68 E CA 0.531 56.922 56.400 -0.014 0.000 0.852 68 E CB 0.038 29.715 29.700 -0.038 0.000 0.783 68 E HN 0.338 nan 8.360 nan 0.000 0.505 69 A N 1.014 123.840 122.820 0.011 0.000 2.168 69 A HA -0.069 4.251 4.320 -0.000 0.000 0.215 69 A C 2.201 179.805 177.584 0.033 0.000 1.152 69 A CA 1.239 53.290 52.037 0.024 0.000 0.716 69 A CB -0.087 18.936 19.000 0.038 0.000 0.794 69 A HN 0.233 nan 8.150 nan 0.000 0.465 70 V N -4.348 115.589 119.914 0.038 0.000 3.480 70 V HA 0.359 4.479 4.120 -0.000 0.000 0.263 70 V C 0.442 176.552 176.094 0.027 0.000 1.442 70 V CA -0.557 61.767 62.300 0.039 0.000 1.053 70 V CB -0.388 31.474 31.823 0.065 0.000 0.846 70 V HN 0.163 nan 8.190 nan 0.000 0.440 71 I N 3.231 123.815 120.570 0.024 0.000 2.683 71 I HA 0.424 4.594 4.170 -0.000 0.000 0.286 71 I C 1.645 177.765 176.117 0.004 0.000 1.175 71 I CA 1.884 63.193 61.300 0.015 0.000 1.429 71 I CB -0.206 37.799 38.000 0.009 0.000 1.371 71 I HN 0.627 nan 8.210 nan 0.000 0.569 72 G N 5.966 114.767 108.800 0.001 0.000 2.176 72 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.253 72 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.253 72 G C 0.444 175.338 174.900 -0.009 0.000 0.979 72 G CA -0.332 44.765 45.100 -0.005 0.000 0.641 72 G HN 0.521 nan 8.290 nan 0.000 0.530 73 R N 0.308 120.802 120.500 -0.009 0.000 2.758 73 R HA 0.529 4.869 4.340 -0.000 0.000 0.265 73 R C -0.906 175.372 176.300 -0.037 0.000 1.016 73 R CA -0.948 55.140 56.100 -0.021 0.000 1.040 73 R CB 0.664 30.954 30.300 -0.016 0.000 1.152 73 R HN 0.204 nan 8.270 nan 0.000 0.503 74 D N 1.566 121.930 120.400 -0.060 0.000 2.295 74 D HA 0.172 4.812 4.640 -0.000 0.000 0.248 74 D C -1.657 174.556 176.300 -0.145 0.000 1.154 74 D CA -2.100 51.847 54.000 -0.089 0.000 0.857 74 D CB 1.447 42.190 40.800 -0.095 0.000 1.117 74 D HN 0.039 nan 8.370 nan 0.000 0.468 75 P HA -0.050 nan 4.420 nan 0.000 0.222 75 P C 1.701 178.703 177.300 -0.498 0.000 1.147 75 P CA 0.324 63.303 63.100 -0.202 0.000 0.790 75 P CB 0.309 31.952 31.700 -0.096 0.000 0.780 76 L N -0.163 120.776 121.223 -0.473 0.000 2.265 76 L HA -0.111 4.229 4.340 -0.000 0.000 0.215 76 L C 0.623 176.873 176.870 -1.033 0.000 1.117 76 L CA 1.352 55.767 54.840 -0.709 0.000 0.782 76 L CB -0.337 41.534 42.059 -0.313 0.000 0.914 76 L HN 0.037 nan 8.230 nan 0.000 0.441 77 E N -0.024 119.786 120.200 -0.650 0.000 1.979 77 E HA -0.007 4.343 4.350 -0.000 0.000 0.285 77 E C 0.576 176.985 176.600 -0.318 0.000 1.188 77 E CA -0.359 55.812 56.400 -0.383 0.000 1.214 77 E CB 0.163 29.759 29.700 -0.174 0.000 1.210 77 E HN 0.276 nan 8.360 nan 0.000 0.477 78 F N 0.564 120.492 119.950 -0.037 0.000 2.134 78 F HA -0.137 4.389 4.527 -0.000 0.000 0.299 78 F C 2.353 178.219 175.800 0.110 0.000 1.097 78 F CA 0.990 58.977 58.000 -0.022 0.000 1.264 78 F CB -0.271 38.680 39.000 -0.082 0.000 1.001 78 F HN 0.204 nan 8.300 nan 0.000 0.479 79 R N 0.128 120.781 120.500 0.256 0.000 2.062 79 R HA -0.076 4.263 4.340 -0.000 0.000 0.231 79 R C 2.500 178.928 176.300 0.213 0.000 1.136 79 R CA 1.233 57.467 56.100 0.224 0.000 0.948 79 R CB -0.872 29.521 30.300 0.156 0.000 0.845 79 R HN 0.286 nan 8.270 nan 0.000 0.430 80 A N 1.393 124.292 122.820 0.131 0.000 1.883 80 A HA -0.219 4.101 4.320 -0.000 0.000 0.217 80 A C 1.743 179.399 177.584 0.120 0.000 1.186 80 A CA 1.865 53.965 52.037 0.105 0.000 0.624 80 A CB -0.771 18.258 19.000 0.049 0.000 0.822 80 A HN 0.436 nan 8.150 nan 0.000 0.444 81 N N -2.058 116.706 118.700 0.107 0.000 2.142 81 N HA -0.175 4.565 4.740 -0.000 0.000 0.186 81 N C 1.769 177.378 175.510 0.165 0.000 1.023 81 N CA 1.441 54.556 53.050 0.108 0.000 0.852 81 N CB -0.344 38.185 38.487 0.071 0.000 0.998 81 N HN 0.612 nan 8.380 nan 0.000 0.424 82 Y N 2.435 122.825 120.300 0.150 0.000 2.081 82 Y HA -0.255 4.295 4.550 -0.001 0.000 0.280 82 Y C 1.921 177.939 175.900 0.197 0.000 1.163 82 Y CA 1.669 59.879 58.100 0.183 0.000 1.135 82 Y CB -0.278 38.290 38.460 0.180 0.000 0.970 82 Y HN 0.062 nan 8.280 nan 0.000 0.498 83 N N 0.208 119.092 118.700 0.306 0.000 2.166 83 N HA -0.175 4.565 4.740 -0.000 0.000 0.186 83 N C 1.978 177.597 175.510 0.181 0.000 1.019 83 N CA 1.473 54.675 53.050 0.253 0.000 0.856 83 N CB -0.506 38.129 38.487 0.247 0.000 0.993 83 N HN 0.417 nan 8.380 nan 0.000 0.426 84 R N 0.370 120.950 120.500 0.133 0.000 2.075 84 R HA 0.090 4.430 4.340 -0.000 0.000 0.232 84 R C 2.182 178.533 176.300 0.085 0.000 1.126 84 R CA 0.873 57.034 56.100 0.103 0.000 0.963 84 R CB -0.055 30.289 30.300 0.074 0.000 0.858 84 R HN 0.157 nan 8.270 nan 0.000 0.435 85 M N -0.768 118.867 119.600 0.057 0.000 2.080 85 M HA -0.249 4.231 4.480 -0.000 0.000 0.260 85 M C 2.076 178.406 176.300 0.051 0.000 1.068 85 M CA 1.798 57.122 55.300 0.040 0.000 1.109 85 M CB -0.446 32.162 32.600 0.013 0.000 1.342 85 M HN 0.247 nan 8.290 nan 0.000 0.405 86 Y N 1.122 121.348 120.300 -0.123 0.000 2.200 86 Y HA -0.247 4.303 4.550 -0.000 0.000 0.290 86 Y C 1.959 177.909 175.900 0.084 0.000 1.137 86 Y CA 1.681 59.744 58.100 -0.061 0.000 1.163 86 Y CB -0.112 38.272 38.460 -0.128 0.000 0.988 86 Y HN 0.225 nan 8.280 nan 0.000 0.518 87 D N -0.695 119.867 120.400 0.271 0.000 2.097 87 D HA -0.158 4.482 4.640 -0.000 0.000 0.197 87 D C 2.204 178.632 176.300 0.214 0.000 0.984 87 D CA 2.256 56.418 54.000 0.270 0.000 0.826 87 D CB -0.690 40.270 40.800 0.267 0.000 0.973 87 D HN 0.512 nan 8.370 nan 0.000 0.460 88 T N -1.981 112.645 114.554 0.120 0.000 3.113 88 T HA -0.039 4.310 4.350 -0.000 0.000 0.263 88 T C 1.516 176.251 174.700 0.058 0.000 1.143 88 T CA 1.299 63.434 62.100 0.059 0.000 1.090 88 T CB -0.259 68.614 68.868 0.008 0.000 0.922 88 T HN 0.133 nan 8.240 nan 0.000 0.521 89 T N -2.252 112.343 114.554 0.068 0.000 3.084 89 T HA 0.388 4.738 4.350 -0.000 0.000 0.270 89 T C 1.443 176.186 174.700 0.072 0.000 1.008 89 T CA -0.597 61.540 62.100 0.062 0.000 0.900 89 T CB 0.108 69.022 68.868 0.077 0.000 1.084 89 T HN 0.170 nan 8.240 nan 0.000 0.538 90 K N 0.678 121.128 120.400 0.083 0.000 2.107 90 K HA -0.169 4.151 4.320 -0.000 0.000 0.211 90 K C 1.717 178.367 176.600 0.083 0.000 1.049 90 K CA 1.784 58.066 56.287 -0.010 0.000 0.927 90 K CB -0.234 32.306 32.500 0.066 0.000 0.714 90 K HN 0.555 nan 8.250 nan 0.000 0.452 91 W N 1.847 123.193 121.300 0.077 0.000 2.374 91 W HA -0.163 4.498 4.660 0.001 0.000 0.288 91 W C 1.491 178.032 176.519 0.038 0.000 1.218 91 W CA 1.449 58.845 57.345 0.085 0.000 1.245 91 W CB 0.132 29.735 29.460 0.238 0.000 1.126 91 W HN 0.106 nan 8.180 nan 0.000 0.545 92 I N -3.226 117.451 120.570 0.178 0.000 4.139 92 I HA 0.373 4.543 4.170 -0.000 0.000 0.335 92 I C 1.298 177.478 176.117 0.106 0.000 1.327 92 I CA 0.479 61.855 61.300 0.126 0.000 1.112 92 I CB -0.522 37.587 38.000 0.182 0.000 1.058 92 I HN -0.202 nan 8.210 nan 0.000 0.396 93 G N 0.853 109.680 108.800 0.044 0.000 3.387 93 G HA2 0.381 4.341 3.960 -0.000 0.000 0.195 93 G HA3 0.381 4.341 3.960 -0.000 0.000 0.195 93 G C 0.603 175.426 174.900 -0.127 0.000 1.853 93 G CA 0.274 45.356 45.100 -0.031 0.000 0.879 93 G HN 0.266 nan 8.290 nan 0.000 0.651 94 M N -2.529 116.915 119.600 -0.259 0.000 2.804 94 M HA -0.193 4.286 4.480 -0.000 0.000 0.147 94 M C 0.031 176.397 176.300 0.111 0.000 0.698 94 M CA 1.692 56.872 55.300 -0.200 0.000 0.560 94 M CB -0.484 32.016 32.600 -0.167 0.000 2.062 94 M HN 0.431 nan 8.290 nan 0.000 0.258 95 R N 0.020 120.541 120.500 0.033 0.000 2.836 95 R HA 0.689 5.029 4.340 -0.000 0.000 0.269 95 R C 0.337 176.610 176.300 -0.044 0.000 1.010 95 R CA 0.142 56.283 56.100 0.069 0.000 0.930 95 R CB 1.109 31.453 30.300 0.073 0.000 1.218 95 R HN 0.827 nan 8.270 nan 0.000 0.473 96 G N 0.689 109.461 108.800 -0.047 0.000 2.512 96 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.240 96 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.240 96 G C 0.644 175.092 174.900 -0.753 0.000 1.246 96 G CA 0.152 45.111 45.100 -0.234 0.000 0.919 96 G HN 0.553 nan 8.290 nan 0.000 0.577 97 L N 1.092 121.709 121.223 -1.009 0.000 2.013 97 L HA 0.070 4.410 4.340 -0.000 0.000 0.212 97 L C 3.059 179.309 176.870 -1.033 0.000 1.073 97 L CA 3.223 57.183 54.840 -1.467 0.000 0.753 97 L CB -0.882 40.739 42.059 -0.730 0.000 0.890 97 L HN 1.111 nan 8.230 nan 0.000 0.432 98 G N -0.245 108.136 108.800 -0.698 0.000 2.469 98 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.220 98 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.220 98 G C 1.487 176.205 174.900 -0.303 0.000 1.136 98 G CA 1.150 45.878 45.100 -0.620 0.000 0.759 98 G HN 0.374 nan 8.290 nan 0.000 0.562 99 L N -0.089 121.034 121.223 -0.167 0.000 2.275 99 L HA 0.115 4.455 4.340 -0.000 0.000 0.215 99 L C 2.461 179.484 176.870 0.254 0.000 1.119 99 L CA 0.582 55.478 54.840 0.092 0.000 0.790 99 L CB -0.301 41.875 42.059 0.196 0.000 0.919 99 L HN 0.106 nan 8.230 nan 0.000 0.443 100 F N -0.304 119.628 119.950 -0.031 0.000 2.102 100 F HA -0.175 4.351 4.527 -0.001 0.000 0.298 100 F C 2.570 178.395 175.800 0.042 0.000 1.105 100 F CA 0.681 58.679 58.000 -0.002 0.000 1.239 100 F CB -1.755 37.225 39.000 -0.033 0.000 0.991 100 F HN 0.098 nan 8.300 nan 0.000 0.474 101 A N 0.714 123.646 122.820 0.188 0.000 1.883 101 A HA -0.173 4.147 4.320 -0.000 0.000 0.217 101 A C 2.353 180.138 177.584 0.336 0.000 1.186 101 A CA 1.817 54.049 52.037 0.325 0.000 0.624 101 A CB -1.246 17.866 19.000 0.187 0.000 0.822 101 A HN 0.364 nan 8.150 nan 0.000 0.444 102 I N -0.121 120.591 120.570 0.238 0.000 2.264 102 I HA -0.256 3.914 4.170 -0.000 0.000 0.248 102 I C 2.696 178.964 176.117 0.251 0.000 1.111 102 I CA 1.437 62.871 61.300 0.224 0.000 1.382 102 I CB -0.299 37.788 38.000 0.145 0.000 1.060 102 I HN 0.242 nan 8.210 nan 0.000 0.418 103 S N 0.746 116.595 115.700 0.248 0.000 2.353 103 S HA -0.154 4.316 4.470 -0.000 0.000 0.222 103 S C 2.157 176.858 174.600 0.168 0.000 1.035 103 S CA 1.533 59.864 58.200 0.219 0.000 1.025 103 S CB -0.860 62.447 63.200 0.177 0.000 0.902 103 S HN 0.647 nan 8.310 nan 0.000 0.440 104 G N 1.352 110.222 108.800 0.116 0.000 2.422 104 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.218 104 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.218 104 G C 1.348 176.267 174.900 0.031 0.000 1.146 104 G CA 0.689 45.799 45.100 0.016 0.000 0.769 104 G HN 0.485 nan 8.290 nan 0.000 0.547 105 I N 0.706 121.339 120.570 0.106 0.000 2.202 105 I HA -0.103 4.067 4.170 -0.000 0.000 0.242 105 I C 2.406 178.644 176.117 0.202 0.000 1.091 105 I CA 1.451 62.846 61.300 0.157 0.000 1.368 105 I CB -0.258 37.884 38.000 0.237 0.000 1.058 105 I HN 0.130 nan 8.210 nan 0.000 0.410 106 D N 0.935 121.489 120.400 0.256 0.000 2.116 106 D HA -0.292 4.348 4.640 -0.000 0.000 0.193 106 D C 2.295 178.825 176.300 0.382 0.000 0.998 106 D CA 1.673 55.882 54.000 0.349 0.000 0.836 106 D CB -0.059 40.992 40.800 0.419 0.000 0.951 106 D HN 0.211 nan 8.370 nan 0.000 0.449 107 M N -0.106 119.657 119.600 0.271 0.000 2.080 107 M HA -0.202 4.278 4.480 -0.000 0.000 0.260 107 M C 2.112 178.543 176.300 0.218 0.000 1.068 107 M CA 2.039 57.470 55.300 0.218 0.000 1.109 107 M CB -0.155 32.509 32.600 0.105 0.000 1.342 107 M HN 0.138 nan 8.290 nan 0.000 0.405 108 A N 0.428 123.348 122.820 0.166 0.000 1.978 108 A HA -0.150 4.169 4.320 -0.000 0.000 0.220 108 A C 2.002 179.692 177.584 0.176 0.000 1.170 108 A CA 1.481 53.608 52.037 0.150 0.000 0.636 108 A CB -0.991 18.078 19.000 0.116 0.000 0.810 108 A HN 0.629 nan 8.150 nan 0.000 0.448 109 L N -2.328 119.021 121.223 0.210 0.000 2.109 109 L HA -0.170 4.170 4.340 -0.000 0.000 0.207 109 L C 2.471 179.476 176.870 0.224 0.000 1.086 109 L CA 1.174 56.124 54.840 0.183 0.000 0.760 109 L CB -0.568 41.599 42.059 0.179 0.000 0.910 109 L HN 0.476 nan 8.230 nan 0.000 0.437 110 Y N -0.162 120.288 120.300 0.250 0.000 2.242 110 Y HA -0.281 4.269 4.550 -0.000 0.000 0.291 110 Y C 2.411 178.348 175.900 0.062 0.000 1.137 110 Y CA 1.585 59.761 58.100 0.128 0.000 1.181 110 Y CB -0.270 38.129 38.460 -0.102 0.000 0.989 110 Y HN 0.224 nan 8.280 nan 0.000 0.527 111 D N -0.097 120.409 120.400 0.177 0.000 2.097 111 D HA -0.158 4.481 4.640 -0.000 0.000 0.197 111 D C 2.055 178.391 176.300 0.060 0.000 0.984 111 D CA 0.823 54.870 54.000 0.077 0.000 0.826 111 D CB -0.233 40.614 40.800 0.078 0.000 0.973 111 D HN 0.189 nan 8.370 nan 0.000 0.460 112 L N 0.555 121.828 121.223 0.084 0.000 2.027 112 L HA 0.063 4.403 4.340 -0.000 0.000 0.206 112 L C 2.189 179.079 176.870 0.034 0.000 1.074 112 L CA 2.193 57.062 54.840 0.048 0.000 0.745 112 L CB -1.143 40.955 42.059 0.064 0.000 0.898 112 L HN 0.059 nan 8.230 nan 0.000 0.433 113 A N -0.473 122.385 122.820 0.064 0.000 1.908 113 A HA -0.105 4.215 4.320 -0.000 0.000 0.218 113 A C 2.329 179.947 177.584 0.057 0.000 1.181 113 A CA 1.698 53.766 52.037 0.052 0.000 0.627 113 A CB -1.625 17.439 19.000 0.105 0.000 0.818 113 A HN 0.555 nan 8.150 nan 0.000 0.445 114 G N -0.449 108.393 108.800 0.070 0.000 2.421 114 G HA2 -0.224 3.735 3.960 -0.000 0.000 0.216 114 G HA3 -0.224 3.735 3.960 -0.000 0.000 0.216 114 G C 1.672 176.570 174.900 -0.004 0.000 1.171 114 G CA 1.107 46.222 45.100 0.026 0.000 0.775 114 G HN 0.569 nan 8.290 nan 0.000 0.543 115 K N 0.062 120.454 120.400 -0.014 0.000 2.063 115 K HA -0.104 4.216 4.320 -0.000 0.000 0.208 115 K C 2.752 179.334 176.600 -0.030 0.000 1.048 115 K CA 1.418 57.684 56.287 -0.036 0.000 0.928 115 K CB -0.153 32.305 32.500 -0.070 0.000 0.713 115 K HN 0.368 nan 8.250 nan 0.000 0.442 116 Q N 0.287 120.075 119.800 -0.021 0.000 2.050 116 Q HA -0.094 4.246 4.340 -0.000 0.000 0.202 116 Q C 2.006 177.997 176.000 -0.015 0.000 0.980 116 Q CA 1.172 56.963 55.803 -0.020 0.000 0.840 116 Q CB 0.018 28.744 28.738 -0.020 0.000 0.898 116 Q HN 0.309 nan 8.270 nan 0.000 0.424 117 L N -1.053 120.164 121.223 -0.009 0.000 2.446 117 L HA 0.128 4.468 4.340 -0.000 0.000 0.219 117 L C 1.030 177.895 176.870 -0.009 0.000 1.116 117 L CA 0.370 55.206 54.840 -0.006 0.000 0.844 117 L CB 0.004 42.065 42.059 0.002 0.000 0.970 117 L HN 0.417 nan 8.230 nan 0.000 0.457 118 G N 1.313 110.105 108.800 -0.013 0.000 2.225 118 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.264 118 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.264 118 G C 0.015 174.903 174.900 -0.020 0.000 1.060 118 G CA 0.298 45.389 45.100 -0.015 0.000 0.833 118 G HN 0.290 nan 8.290 nan 0.000 0.498 119 V N -3.207 116.690 119.914 -0.029 0.000 2.823 119 V HA 0.953 5.073 4.120 -0.000 0.000 0.312 119 V C -2.245 173.793 176.094 -0.093 0.000 1.072 119 V CA -2.792 59.470 62.300 -0.063 0.000 0.937 119 V CB 2.447 34.232 31.823 -0.064 0.000 1.013 119 V HN 0.098 nan 8.190 nan 0.000 0.430 120 P HA 0.191 nan 4.420 nan 0.000 0.271 120 P C 0.757 177.913 177.300 -0.239 0.000 1.216 120 P CA 0.423 63.420 63.100 -0.172 0.000 0.776 120 P CB 1.467 32.983 31.700 -0.305 0.000 0.881 121 A N 4.235 126.944 122.820 -0.184 0.000 1.948 121 A HA -0.252 4.067 4.320 -0.000 0.000 0.220 121 A C 2.001 179.629 177.584 0.074 0.000 1.177 121 A CA 2.007 53.975 52.037 -0.116 0.000 0.636 121 A CB -1.960 16.844 19.000 -0.328 0.000 0.815 121 A HN 0.718 nan 8.150 nan 0.000 0.449 122 Y N -0.400 120.126 120.300 0.377 0.000 2.241 122 Y HA -0.163 4.387 4.550 -0.001 0.000 0.286 122 Y C 1.871 177.840 175.900 0.115 0.000 1.166 122 Y CA 1.535 59.771 58.100 0.226 0.000 1.203 122 Y CB -0.640 37.921 38.460 0.168 0.000 0.977 122 Y HN 0.206 nan 8.280 nan 0.000 0.529 123 K N 0.749 121.034 120.400 -0.191 0.000 2.097 123 K HA -0.027 4.293 4.320 -0.000 0.000 0.205 123 K C 1.884 178.514 176.600 0.050 0.000 1.050 123 K CA 1.564 57.811 56.287 -0.066 0.000 0.938 123 K CB -0.260 32.124 32.500 -0.193 0.000 0.718 123 K HN 0.395 nan 8.250 nan 0.000 0.442 124 L N 0.306 121.571 121.223 0.069 0.000 2.465 124 L HA -0.036 4.304 4.340 -0.000 0.000 0.224 124 L C 1.863 178.820 176.870 0.144 0.000 1.145 124 L CA 0.601 55.536 54.840 0.158 0.000 0.834 124 L CB -0.135 42.058 42.059 0.222 0.000 0.944 124 L HN 0.216 nan 8.230 nan 0.000 0.451 125 M N -1.148 118.516 119.600 0.107 0.000 2.431 125 M HA 0.198 4.678 4.480 -0.000 0.000 0.237 125 M C 1.279 177.621 176.300 0.071 0.000 1.130 125 M CA 0.571 55.907 55.300 0.060 0.000 1.002 125 M CB 0.711 33.322 32.600 0.018 0.000 1.524 125 M HN 0.341 nan 8.290 nan 0.000 0.482 126 G N 0.012 108.869 108.800 0.095 0.000 2.253 126 G HA2 -0.026 3.934 3.960 -0.000 0.000 0.209 126 G HA3 -0.026 3.934 3.960 -0.000 0.000 0.209 126 G C 0.388 175.339 174.900 0.085 0.000 0.997 126 G CA -0.410 44.737 45.100 0.079 0.000 0.640 126 G HN 0.900 nan 8.290 nan 0.000 0.496 127 G N -0.727 108.154 108.800 0.135 0.000 2.576 127 G HA2 0.519 4.479 3.960 -0.000 0.000 0.686 127 G HA3 0.519 4.479 3.960 -0.000 0.000 0.686 127 G C 0.065 175.051 174.900 0.142 0.000 1.242 127 G CA 0.813 46.024 45.100 0.184 0.000 0.819 127 G HN 2.103 nan 8.290 nan 0.000 0.655 128 A N 0.285 123.187 122.820 0.136 0.000 2.477 128 A HA 0.656 4.976 4.320 -0.000 0.000 0.246 128 A C 0.927 178.468 177.584 -0.072 0.000 1.078 128 A CA 0.910 52.890 52.037 -0.096 0.000 0.770 128 A CB 0.560 19.363 19.000 -0.328 0.000 1.011 128 A HN 0.869 nan 8.150 nan 0.000 0.494 129 Q N 0.126 119.873 119.800 -0.089 0.000 2.103 129 Q HA 0.108 4.448 4.340 -0.000 0.000 0.219 129 Q C -0.686 175.276 176.000 -0.064 0.000 0.784 129 Q CA 0.089 55.850 55.803 -0.071 0.000 1.014 129 Q CB 0.586 29.285 28.738 -0.064 0.000 1.183 129 Q HN 0.840 nan 8.270 nan 0.000 0.469 130 K N -1.321 119.026 120.400 -0.088 0.000 2.385 130 K HA 0.697 5.017 4.320 -0.000 0.000 0.248 130 K C 0.371 176.914 176.600 -0.095 0.000 0.955 130 K CA -0.304 55.935 56.287 -0.080 0.000 0.816 130 K CB 1.595 34.049 32.500 -0.077 0.000 1.250 130 K HN -0.120 nan 8.250 nan 0.000 0.434 131 A N 1.669 124.444 122.820 -0.074 0.000 1.917 131 A HA -0.167 4.153 4.320 -0.000 0.000 0.219 131 A C 0.452 177.986 177.584 -0.083 0.000 1.182 131 A CA 1.451 53.446 52.037 -0.070 0.000 0.633 131 A CB -0.253 18.717 19.000 -0.051 0.000 0.819 131 A HN 0.758 nan 8.150 nan 0.000 0.448 132 Q N -2.433 117.316 119.800 -0.085 0.000 2.511 132 Q HA 0.547 4.886 4.340 -0.000 0.000 0.289 132 Q C -1.895 174.048 176.000 -0.095 0.000 1.021 132 Q CA -0.996 54.755 55.803 -0.087 0.000 0.785 132 Q CB 1.839 30.542 28.738 -0.059 0.000 1.472 132 Q HN 0.256 nan 8.270 nan 0.000 0.411 133 L N 1.105 122.266 121.223 -0.103 0.000 2.257 133 L HA 0.402 4.742 4.340 -0.000 0.000 0.290 133 L C -0.973 175.851 176.870 -0.077 0.000 1.044 133 L CA 0.550 55.330 54.840 -0.100 0.000 0.810 133 L CB 1.199 43.182 42.059 -0.127 0.000 1.193 133 L HN 0.552 nan 8.230 nan 0.000 0.425 134 T N 7.264 121.790 114.554 -0.047 0.000 2.963 134 T HA 0.464 4.813 4.350 -0.000 0.000 0.343 134 T C -2.566 172.156 174.700 0.037 0.000 1.146 134 T CA -0.984 61.122 62.100 0.010 0.000 1.016 134 T CB 0.876 69.778 68.868 0.057 0.000 1.046 134 T HN 0.428 nan 8.240 nan 0.000 0.496 135 P HA 0.338 nan 4.420 nan 0.000 0.280 135 P C -1.040 175.964 177.300 -0.493 0.000 1.272 135 P CA -0.822 62.079 63.100 -0.332 0.000 0.819 135 P CB 0.602 31.936 31.700 -0.610 0.000 1.122 136 Y N -0.783 119.211 120.300 -0.510 0.000 2.310 136 Y HA 0.643 5.193 4.550 -0.001 0.000 0.326 136 Y C -1.062 174.473 175.900 -0.607 0.000 1.151 136 Y CA -1.407 56.301 58.100 -0.654 0.000 1.195 136 Y CB 0.202 38.263 38.460 -0.664 0.000 1.210 136 Y HN 0.037 nan 8.280 nan 0.000 0.483 137 F N 2.026 122.020 119.950 0.074 0.000 2.415 137 F HA 0.394 4.921 4.527 0.001 0.000 0.348 137 F C 0.368 176.229 175.800 0.100 0.000 1.119 137 F CA -0.745 57.283 58.000 0.046 0.000 1.069 137 F CB 1.549 40.478 39.000 -0.118 0.000 1.124 137 F HN 0.522 nan 8.300 nan 0.000 0.472 138 T N 5.511 120.277 114.554 0.353 0.000 2.761 138 T HA 0.438 4.788 4.350 -0.000 0.000 0.296 138 T C -0.056 174.867 174.700 0.373 0.000 0.934 138 T CA -0.312 62.022 62.100 0.390 0.000 1.091 138 T CB 0.074 69.230 68.868 0.480 0.000 0.896 138 T HN 0.306 nan 8.240 nan 0.000 0.515 139 L N 4.418 125.826 121.223 0.309 0.000 2.298 139 L HA 0.493 4.833 4.340 -0.000 0.000 0.284 139 L C -0.920 176.264 176.870 0.524 0.000 1.013 139 L CA -1.010 54.056 54.840 0.376 0.000 0.824 139 L CB 0.806 43.036 42.059 0.286 0.000 1.221 139 L HN 0.637 nan 8.230 nan 0.000 0.418 140 Y N 6.046 126.562 120.300 0.360 0.000 2.326 140 Y HA 0.507 5.056 4.550 -0.001 0.000 0.329 140 Y C -2.401 173.639 175.900 0.233 0.000 0.973 140 Y CA -1.909 56.321 58.100 0.217 0.000 1.162 140 Y CB 2.097 40.584 38.460 0.047 0.000 1.147 140 Y HN 0.354 nan 8.280 nan 0.000 0.456 141 P HA 0.162 nan 4.420 nan 0.000 0.286 141 P C -0.866 176.431 177.300 -0.004 0.000 1.261 141 P CA -0.480 62.492 63.100 -0.213 0.000 0.821 141 P CB 1.913 33.227 31.700 -0.644 0.000 1.013 142 S N 1.655 117.418 115.700 0.104 0.000 2.416 142 S HA 0.478 4.948 4.470 -0.000 0.000 0.287 142 S C -0.056 174.557 174.600 0.022 0.000 1.139 142 S CA -0.430 57.841 58.200 0.118 0.000 1.058 142 S CB -1.005 62.223 63.200 0.048 0.000 0.967 142 S HN 0.357 nan 8.310 nan 0.000 0.495 143 V N 2.295 122.224 119.914 0.024 0.000 3.159 143 V HA 0.964 5.083 4.120 -0.000 0.000 0.308 143 V C 0.150 176.257 176.094 0.022 0.000 1.190 143 V CA -1.173 61.125 62.300 -0.004 0.000 1.037 143 V CB 0.924 32.718 31.823 -0.049 0.000 1.060 143 V HN 0.949 nan 8.190 nan 0.000 0.437 144 A N 1.356 124.183 122.820 0.012 0.000 2.448 144 A HA 0.734 5.054 4.320 -0.000 0.000 0.239 144 A C 0.924 178.520 177.584 0.020 0.000 1.080 144 A CA 0.285 52.334 52.037 0.019 0.000 0.779 144 A CB -0.132 18.875 19.000 0.010 0.000 1.026 144 A HN 2.467 nan 8.150 nan 0.000 0.499 145 A N 0.694 123.531 122.820 0.029 0.000 2.561 145 A HA 0.431 4.750 4.320 -0.000 0.000 0.234 145 A C 1.278 178.866 177.584 0.007 0.000 1.055 145 A CA 1.523 53.573 52.037 0.022 0.000 0.756 145 A CB -1.153 17.862 19.000 0.026 0.000 0.986 145 A HN 2.616 nan 8.150 nan 0.000 0.505 146 D N -1.074 119.324 120.400 -0.004 0.000 3.041 146 D HA 0.212 4.852 4.640 -0.000 0.000 0.220 146 D C 0.553 176.844 176.300 -0.015 0.000 1.157 146 D CA 1.419 55.412 54.000 -0.012 0.000 0.876 146 D CB -2.104 38.693 40.800 -0.006 0.000 1.107 146 D HN 2.368 nan 8.370 nan 0.000 0.422 147 A N 0.138 122.947 122.820 -0.019 0.000 2.445 147 A HA 0.635 4.955 4.320 -0.000 0.000 0.242 147 A C 1.345 178.908 177.584 -0.036 0.000 1.075 147 A CA 0.933 52.956 52.037 -0.023 0.000 0.777 147 A CB 0.317 19.301 19.000 -0.027 0.000 1.013 147 A HN 1.692 nan 8.150 nan 0.000 0.493 148 T N 0.284 114.821 114.554 -0.028 0.000 2.874 148 T HA 0.427 4.777 4.350 -0.000 0.000 0.281 148 T C 1.283 175.954 174.700 -0.048 0.000 0.994 148 T CA -0.477 61.600 62.100 -0.038 0.000 1.015 148 T CB 0.402 69.259 68.868 -0.019 0.000 1.028 148 T HN 0.412 nan 8.240 nan 0.000 0.523 149 L N 0.933 122.107 121.223 -0.082 0.000 2.043 149 L HA -0.143 4.197 4.340 -0.000 0.000 0.212 149 L C 3.180 180.088 176.870 0.063 0.000 1.075 149 L CA 1.809 56.585 54.840 -0.106 0.000 0.752 149 L CB -0.873 41.093 42.059 -0.157 0.000 0.891 149 L HN 0.915 nan 8.230 nan 0.000 0.432 150 S N -0.217 115.517 115.700 0.056 0.000 2.356 150 S HA -0.225 4.245 4.470 -0.000 0.000 0.223 150 S C 1.831 176.475 174.600 0.073 0.000 1.032 150 S CA 1.677 59.923 58.200 0.077 0.000 1.005 150 S CB -0.147 63.083 63.200 0.049 0.000 0.867 150 S HN 0.468 nan 8.310 nan 0.000 0.449 151 E N 0.226 120.452 120.200 0.042 0.000 2.153 151 E HA -0.088 4.262 4.350 -0.000 0.000 0.194 151 E C 2.016 178.639 176.600 0.038 0.000 0.988 151 E CA 1.297 57.716 56.400 0.031 0.000 0.811 151 E CB -0.217 29.488 29.700 0.009 0.000 0.746 151 E HN 0.580 nan 8.360 nan 0.000 0.466 152 I N 0.426 121.030 120.570 0.056 0.000 2.286 152 I HA -0.221 3.948 4.170 -0.000 0.000 0.245 152 I C 2.296 178.541 176.117 0.213 0.000 1.104 152 I CA 0.581 61.927 61.300 0.078 0.000 1.397 152 I CB -0.101 37.948 38.000 0.081 0.000 1.072 152 I HN -0.022 nan 8.210 nan 0.000 0.417 153 V N 0.737 120.822 119.914 0.284 0.000 2.287 153 V HA -0.272 3.848 4.120 -0.000 0.000 0.248 153 V C 2.532 178.732 176.094 0.177 0.000 1.053 153 V CA 1.768 64.230 62.300 0.269 0.000 1.027 153 V CB -0.631 31.309 31.823 0.196 0.000 0.646 153 V HN 0.403 nan 8.190 nan 0.000 0.447 154 E N 0.347 120.613 120.200 0.112 0.000 2.058 154 E HA -0.225 4.125 4.350 -0.000 0.000 0.194 154 E C 2.362 178.999 176.600 0.062 0.000 0.997 154 E CA 1.678 58.122 56.400 0.073 0.000 0.801 154 E CB -0.645 29.084 29.700 0.049 0.000 0.746 154 E HN 0.592 nan 8.360 nan 0.000 0.450 155 A N 0.304 123.142 122.820 0.031 0.000 1.933 155 A HA -0.186 4.134 4.320 -0.000 0.000 0.218 155 A C 2.022 179.596 177.584 -0.016 0.000 1.175 155 A CA 1.126 53.150 52.037 -0.022 0.000 0.628 155 A CB -0.779 18.163 19.000 -0.096 0.000 0.814 155 A HN 0.214 nan 8.150 nan 0.000 0.444 156 Y N 0.559 120.885 120.300 0.042 0.000 2.274 156 Y HA -0.179 4.371 4.550 -0.000 0.000 0.290 156 Y C 2.316 178.229 175.900 0.021 0.000 1.145 156 Y CA 1.481 59.599 58.100 0.030 0.000 1.203 156 Y CB -0.243 38.219 38.460 0.003 0.000 0.984 156 Y HN 0.320 nan 8.280 nan 0.000 0.533 157 K N -0.370 120.132 120.400 0.171 0.000 2.020 157 K HA -0.190 4.130 4.320 -0.000 0.000 0.212 157 K C -0.509 176.147 176.600 0.094 0.000 1.050 157 K CA 1.980 58.329 56.287 0.104 0.000 0.929 157 K CB -1.405 31.137 32.500 0.071 0.000 0.714 157 K HN 0.288 nan 8.250 nan 0.000 0.443 158 P HA -0.108 nan 4.420 nan 0.000 0.220 158 P C 1.433 178.812 177.300 0.131 0.000 1.152 158 P CA 1.154 64.307 63.100 0.088 0.000 0.812 158 P CB 0.019 31.760 31.700 0.069 0.000 0.792 159 L N -0.797 120.528 121.223 0.170 0.000 2.027 159 L HA -0.115 4.225 4.340 -0.000 0.000 0.206 159 L C 2.710 179.682 176.870 0.170 0.000 1.074 159 L CA 1.297 56.282 54.840 0.243 0.000 0.745 159 L CB -0.815 41.405 42.059 0.268 0.000 0.898 159 L HN -0.166 nan 8.230 nan 0.000 0.433 160 I N -0.168 120.474 120.570 0.120 0.000 2.264 160 I HA -0.302 3.868 4.170 -0.000 0.000 0.248 160 I C 2.703 178.842 176.117 0.037 0.000 1.111 160 I CA 1.203 62.521 61.300 0.031 0.000 1.382 160 I CB -0.367 37.631 38.000 -0.003 0.000 1.060 160 I HN 0.215 nan 8.210 nan 0.000 0.418 161 A N 0.256 123.113 122.820 0.063 0.000 1.929 161 A HA -0.218 4.101 4.320 -0.000 0.000 0.216 161 A C 2.375 180.001 177.584 0.071 0.000 1.176 161 A CA 1.512 53.581 52.037 0.052 0.000 0.628 161 A CB -0.416 18.611 19.000 0.045 0.000 0.816 161 A HN 0.312 nan 8.150 nan 0.000 0.444 162 K N -0.224 120.252 120.400 0.127 0.000 2.057 162 K HA -0.090 4.230 4.320 -0.000 0.000 0.207 162 K C 2.192 178.916 176.600 0.207 0.000 1.049 162 K CA 1.135 57.515 56.287 0.155 0.000 0.931 162 K CB -0.325 32.290 32.500 0.192 0.000 0.714 162 K HN 0.364 nan 8.250 nan 0.000 0.440 163 A N 1.632 124.607 122.820 0.259 0.000 1.917 163 A HA -0.232 4.088 4.320 -0.000 0.000 0.219 163 A C 1.912 179.518 177.584 0.037 0.000 1.182 163 A CA 1.897 53.996 52.037 0.104 0.000 0.633 163 A CB -0.413 18.499 19.000 -0.147 0.000 0.819 163 A HN 0.324 nan 8.150 nan 0.000 0.448 164 K N -0.831 119.582 120.400 0.022 0.000 2.057 164 K HA -0.144 4.176 4.320 -0.000 0.000 0.207 164 K C 2.107 178.712 176.600 0.009 0.000 1.049 164 K CA 1.202 57.494 56.287 0.009 0.000 0.931 164 K CB -0.145 32.358 32.500 0.004 0.000 0.714 164 K HN 0.441 nan 8.250 nan 0.000 0.440 165 E N 0.953 121.160 120.200 0.013 0.000 2.153 165 E HA -0.169 4.181 4.350 -0.000 0.000 0.194 165 E C 1.618 178.205 176.600 -0.023 0.000 0.988 165 E CA 1.052 57.450 56.400 -0.003 0.000 0.811 165 E CB 0.248 29.947 29.700 -0.003 0.000 0.746 165 E HN 0.120 nan 8.360 nan 0.000 0.466 166 R N -1.041 119.439 120.500 -0.032 0.000 2.297 166 R HA 0.087 4.427 4.340 -0.000 0.000 0.197 166 R C 1.341 177.616 176.300 -0.043 0.000 0.943 166 R CA 0.710 56.766 56.100 -0.074 0.000 1.038 166 R CB 0.083 30.286 30.300 -0.161 0.000 0.957 166 R HN 0.267 nan 8.270 nan 0.000 0.484 167 G N 0.708 109.503 108.800 -0.009 0.000 2.132 167 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.234 167 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.234 167 G C 0.324 175.255 174.900 0.051 0.000 0.989 167 G CA 0.138 45.247 45.100 0.016 0.000 0.676 167 G HN 0.557 nan 8.290 nan 0.000 0.522 168 A N -0.081 122.778 122.820 0.065 0.000 2.565 168 A HA 0.486 4.806 4.320 -0.000 0.000 0.237 168 A C 1.472 179.117 177.584 0.101 0.000 1.053 168 A CA 1.132 53.270 52.037 0.168 0.000 0.755 168 A CB 0.346 19.460 19.000 0.191 0.000 0.980 168 A HN 0.274 nan 8.150 nan 0.000 0.506 169 K N 0.527 120.993 120.400 0.110 0.000 2.400 169 K HA 0.283 4.603 4.320 -0.000 0.000 0.194 169 K C 0.333 176.877 176.600 -0.094 0.000 1.033 169 K CA 1.187 57.511 56.287 0.062 0.000 1.021 169 K CB 0.029 32.647 32.500 0.197 0.000 0.808 169 K HN 0.927 nan 8.250 nan 0.000 0.505 170 A N 0.653 123.354 122.820 -0.200 0.000 2.565 170 A HA 0.469 4.788 4.320 -0.000 0.000 0.298 170 A C -0.957 176.463 177.584 -0.273 0.000 1.062 170 A CA -0.813 50.961 52.037 -0.439 0.000 0.723 170 A CB 1.116 19.439 19.000 -1.129 0.000 1.282 170 A HN -0.068 nan 8.150 nan 0.000 0.400 171 V N -0.902 118.839 119.914 -0.289 0.000 3.007 171 V HA 0.880 5.000 4.120 -0.000 0.000 0.311 171 V C -0.583 175.341 176.094 -0.283 0.000 1.120 171 V CA -0.953 61.239 62.300 -0.181 0.000 0.980 171 V CB 1.861 33.584 31.823 -0.166 0.000 1.033 171 V HN 1.103 nan 8.190 nan 0.000 0.429 172 K N 2.220 122.532 120.400 -0.147 0.000 2.244 172 K HA 0.792 5.112 4.320 -0.000 0.000 0.260 172 K C -0.665 175.892 176.600 -0.071 0.000 0.951 172 K CA -0.576 55.594 56.287 -0.195 0.000 0.826 172 K CB 1.993 34.422 32.500 -0.119 0.000 1.108 172 K HN 1.153 nan 8.250 nan 0.000 0.433 173 V N 0.259 120.080 119.914 -0.155 0.000 3.096 173 V HA 0.714 4.834 4.120 -0.000 0.000 0.319 173 V C -0.578 175.535 176.094 0.031 0.000 1.103 173 V CA -0.726 61.486 62.300 -0.148 0.000 1.016 173 V CB 1.399 32.871 31.823 -0.584 0.000 1.090 173 V HN 0.903 nan 8.190 nan 0.000 0.449 174 C N 1.151 120.565 119.300 0.191 0.000 2.779 174 C HA 0.668 5.127 4.460 -0.000 0.000 0.314 174 C C -0.060 175.115 174.990 0.308 0.000 1.231 174 C CA -0.603 58.559 59.018 0.239 0.000 1.652 174 C CB 1.277 29.185 27.740 0.279 0.000 2.198 174 C HN 0.841 nan 8.230 nan 0.000 0.483 175 I N 3.405 124.124 120.570 0.249 0.000 2.347 175 I HA 0.194 4.364 4.170 -0.000 0.000 0.283 175 I C -0.206 175.961 176.117 0.084 0.000 1.058 175 I CA -0.153 61.262 61.300 0.192 0.000 1.202 175 I CB 0.177 38.274 38.000 0.161 0.000 1.386 175 I HN 0.442 nan 8.210 nan 0.000 0.475 176 I N 7.863 128.456 120.570 0.038 0.000 2.828 176 I HA -0.018 4.152 4.170 -0.000 0.000 0.292 176 I C -1.830 174.277 176.117 -0.016 0.000 1.206 176 I CA -1.709 59.600 61.300 0.016 0.000 1.420 176 I CB -0.813 37.159 38.000 -0.047 0.000 1.368 176 I HN 0.231 nan 8.210 nan 0.000 0.556 177 P HA 0.013 nan 4.420 nan 0.000 0.260 177 P C -0.187 177.086 177.300 -0.044 0.000 1.172 177 P CA 0.502 63.592 63.100 -0.016 0.000 0.760 177 P CB 0.208 31.921 31.700 0.021 0.000 0.773 178 N N 2.315 120.966 118.700 -0.081 0.000 2.875 178 N HA 0.039 4.779 4.740 -0.000 0.000 0.253 178 N C -0.339 175.110 175.510 -0.100 0.000 1.296 178 N CA -0.335 52.664 53.050 -0.086 0.000 0.816 178 N CB 0.511 38.932 38.487 -0.110 0.000 1.504 178 N HN 0.205 nan 8.380 nan 0.000 0.582 179 D N 2.100 122.454 120.400 -0.077 0.000 2.340 179 D HA -0.007 4.632 4.640 -0.000 0.000 0.220 179 D C 0.381 176.642 176.300 -0.064 0.000 1.039 179 D CA 0.391 54.343 54.000 -0.079 0.000 0.866 179 D CB 0.276 41.039 40.800 -0.061 0.000 0.913 179 D HN 0.455 nan 8.370 nan 0.000 0.523 180 K N -0.149 120.216 120.400 -0.059 0.000 2.417 180 K HA 0.229 4.548 4.320 -0.000 0.000 0.196 180 K C -0.122 176.446 176.600 -0.054 0.000 1.023 180 K CA -0.117 56.140 56.287 -0.049 0.000 1.122 180 K CB 1.184 33.660 32.500 -0.040 0.000 0.850 180 K HN 0.018 nan 8.250 nan 0.000 0.521 181 V N 1.362 121.234 119.914 -0.070 0.000 2.680 181 V HA 0.217 4.337 4.120 -0.000 0.000 0.309 181 V C -0.399 175.657 176.094 -0.062 0.000 1.052 181 V CA -0.794 61.465 62.300 -0.068 0.000 0.908 181 V CB 2.144 33.911 31.823 -0.094 0.000 1.001 181 V HN 0.333 nan 8.190 nan 0.000 0.431 182 S N 2.508 118.188 115.700 -0.032 0.000 2.672 182 S HA 0.321 4.791 4.470 -0.000 0.000 0.276 182 S C 0.517 175.144 174.600 0.044 0.000 1.207 182 S CA -0.470 57.723 58.200 -0.011 0.000 1.002 182 S CB 1.347 64.543 63.200 -0.008 0.000 0.998 182 S HN 0.685 nan 8.310 nan 0.000 0.542 183 D N 0.727 121.186 120.400 0.098 0.000 2.144 183 D HA -0.033 4.607 4.640 -0.000 0.000 0.200 183 D C 1.668 178.178 176.300 0.350 0.000 0.978 183 D CA 0.917 55.081 54.000 0.274 0.000 0.833 183 D CB -0.082 40.959 40.800 0.402 0.000 0.961 183 D HN 0.394 nan 8.370 nan 0.000 0.470 184 K N 1.012 121.587 120.400 0.292 0.000 2.057 184 K HA -0.110 4.209 4.320 -0.000 0.000 0.207 184 K C 1.862 178.573 176.600 0.186 0.000 1.049 184 K CA 0.970 57.450 56.287 0.322 0.000 0.931 184 K CB -0.166 32.470 32.500 0.226 0.000 0.714 184 K HN 0.315 nan 8.250 nan 0.000 0.440 185 E N 0.079 120.354 120.200 0.125 0.000 2.150 185 E HA -0.122 4.228 4.350 -0.000 0.000 0.193 185 E C 1.896 178.564 176.600 0.114 0.000 0.985 185 E CA 0.551 57.004 56.400 0.089 0.000 0.814 185 E CB -0.006 29.715 29.700 0.036 0.000 0.752 185 E HN 0.133 nan 8.360 nan 0.000 0.466 186 I N 0.725 121.374 120.570 0.131 0.000 2.315 186 I HA -0.193 3.977 4.170 -0.000 0.000 0.248 186 I C 2.342 178.589 176.117 0.217 0.000 1.117 186 I CA 0.911 62.325 61.300 0.190 0.000 1.404 186 I CB -0.934 37.185 38.000 0.199 0.000 1.071 186 I HN -0.000 nan 8.210 nan 0.000 0.419 187 V N 1.339 121.341 119.914 0.147 0.000 2.295 187 V HA -0.272 3.848 4.120 -0.000 0.000 0.246 187 V C 2.807 178.938 176.094 0.061 0.000 1.049 187 V CA 1.910 64.241 62.300 0.052 0.000 1.024 187 V CB -1.123 30.693 31.823 -0.011 0.000 0.648 187 V HN 0.456 nan 8.190 nan 0.000 0.447 188 A N -0.927 121.950 122.820 0.095 0.000 1.902 188 A HA -0.268 4.052 4.320 -0.000 0.000 0.217 188 A C 2.157 179.809 177.584 0.112 0.000 1.181 188 A CA 2.069 54.156 52.037 0.084 0.000 0.623 188 A CB -0.812 18.241 19.000 0.088 0.000 0.818 188 A HN 0.655 nan 8.150 nan 0.000 0.443 189 Y N 0.784 121.094 120.300 0.015 0.000 2.053 189 Y HA -0.253 4.296 4.550 -0.001 0.000 0.277 189 Y C 1.953 177.846 175.900 -0.012 0.000 1.159 189 Y CA 2.107 60.214 58.100 0.011 0.000 1.125 189 Y CB -0.544 37.930 38.460 0.024 0.000 0.969 189 Y HN 0.215 nan 8.280 nan 0.000 0.492 190 L N -0.185 120.954 121.223 -0.140 0.000 2.083 190 L HA -0.215 4.125 4.340 -0.000 0.000 0.209 190 L C 2.698 179.449 176.870 -0.198 0.000 1.083 190 L CA 1.433 56.110 54.840 -0.271 0.000 0.752 190 L CB -0.576 41.434 42.059 -0.081 0.000 0.899 190 L HN 0.212 nan 8.230 nan 0.000 0.433 191 R N -0.028 120.415 120.500 -0.095 0.000 2.091 191 R HA -0.214 4.126 4.340 -0.000 0.000 0.238 191 R C 2.189 178.439 176.300 -0.084 0.000 1.136 191 R CA 1.559 57.619 56.100 -0.066 0.000 0.959 191 R CB -0.316 29.975 30.300 -0.015 0.000 0.856 191 R HN 0.425 nan 8.270 nan 0.000 0.437 192 E N 0.867 121.018 120.200 -0.082 0.000 2.110 192 E HA -0.153 4.197 4.350 -0.000 0.000 0.193 192 E C 2.064 178.576 176.600 -0.146 0.000 0.988 192 E CA 0.770 57.126 56.400 -0.073 0.000 0.804 192 E CB 0.058 29.744 29.700 -0.023 0.000 0.745 192 E HN 0.283 nan 8.360 nan 0.000 0.458 193 L N 0.352 121.417 121.223 -0.264 0.000 2.093 193 L HA -0.166 4.174 4.340 -0.000 0.000 0.208 193 L C 2.735 179.423 176.870 -0.304 0.000 1.085 193 L CA 0.951 55.588 54.840 -0.338 0.000 0.755 193 L CB -0.322 41.411 42.059 -0.543 0.000 0.904 193 L HN 0.068 nan 8.230 nan 0.000 0.435 194 R N 0.857 121.181 120.500 -0.294 0.000 2.092 194 R HA -0.166 4.174 4.340 -0.000 0.000 0.231 194 R C 1.937 178.051 176.300 -0.309 0.000 1.119 194 R CA 1.541 57.417 56.100 -0.374 0.000 0.970 194 R CB -0.351 29.713 30.300 -0.393 0.000 0.864 194 R HN 0.343 nan 8.270 nan 0.000 0.440 195 E N -0.565 119.544 120.200 -0.151 0.000 2.085 195 E HA -0.155 4.195 4.350 -0.000 0.000 0.194 195 E C 1.858 178.416 176.600 -0.071 0.000 0.994 195 E CA 1.699 58.069 56.400 -0.050 0.000 0.801 195 E CB -0.025 29.675 29.700 -0.000 0.000 0.743 195 E HN 0.142 nan 8.360 nan 0.000 0.453 196 V N 0.907 120.760 119.914 -0.101 0.000 2.379 196 V HA -0.214 3.906 4.120 -0.000 0.000 0.245 196 V C 2.152 178.178 176.094 -0.112 0.000 1.044 196 V CA 1.352 63.602 62.300 -0.082 0.000 1.036 196 V CB -0.274 31.503 31.823 -0.077 0.000 0.664 196 V HN 0.237 nan 8.190 nan 0.000 0.453 197 I N -0.300 120.157 120.570 -0.189 0.000 2.394 197 I HA 0.105 4.274 4.170 -0.000 0.000 0.251 197 I C 1.482 177.483 176.117 -0.193 0.000 1.136 197 I CA 1.197 62.371 61.300 -0.210 0.000 1.425 197 I CB -0.566 37.256 38.000 -0.297 0.000 1.079 197 I HN 0.516 nan 8.210 nan 0.000 0.425 198 G N -0.357 108.305 108.800 -0.230 0.000 2.693 198 G HA2 -0.312 3.647 3.960 -0.000 0.000 0.226 198 G HA3 -0.312 3.647 3.960 -0.000 0.000 0.226 198 G C -0.524 174.162 174.900 -0.357 0.000 1.354 198 G CA -0.047 44.959 45.100 -0.156 0.000 0.873 198 G HN 0.304 nan 8.290 nan 0.000 0.562 199 W N -0.580 120.702 121.300 -0.029 0.000 2.599 199 W HA 0.519 5.179 4.660 -0.001 0.000 0.396 199 W C 1.190 177.700 176.519 -0.015 0.000 0.944 199 W CA 0.294 57.624 57.345 -0.024 0.000 2.042 199 W CB 0.816 30.264 29.460 -0.019 0.000 1.184 199 W HN 0.555 nan 8.180 nan 0.000 0.604 200 D N 0.013 120.471 120.400 0.096 0.000 2.398 200 D HA 0.203 4.843 4.640 -0.000 0.000 0.210 200 D C 0.540 176.852 176.300 0.021 0.000 1.094 200 D CA 0.692 54.734 54.000 0.070 0.000 0.839 200 D CB 0.380 41.214 40.800 0.057 0.000 0.963 200 D HN -0.104 nan 8.370 nan 0.000 0.506 201 M N 0.308 119.885 119.600 -0.039 0.000 2.602 201 M HA 0.298 4.777 4.480 -0.000 0.000 0.312 201 M C -0.659 175.564 176.300 -0.129 0.000 1.181 201 M CA -0.955 54.297 55.300 -0.081 0.000 0.910 201 M CB 2.200 34.730 32.600 -0.116 0.000 1.723 201 M HN -0.245 nan 8.290 nan 0.000 0.459 202 D N 2.283 122.587 120.400 -0.159 0.000 2.339 202 D HA 0.329 4.969 4.640 -0.000 0.000 0.245 202 D C -0.913 175.192 176.300 -0.326 0.000 1.115 202 D CA 0.269 54.147 54.000 -0.204 0.000 0.917 202 D CB 1.421 42.066 40.800 -0.259 0.000 1.192 202 D HN 0.467 nan 8.370 nan 0.000 0.428 203 M N 2.149 121.563 119.600 -0.309 0.000 2.253 203 M HA 0.336 4.816 4.480 -0.000 0.000 0.314 203 M C -1.663 174.388 176.300 -0.414 0.000 1.019 203 M CA -0.577 54.504 55.300 -0.365 0.000 0.932 203 M CB 1.135 33.528 32.600 -0.345 0.000 1.606 203 M HN 0.194 nan 8.290 nan 0.000 0.430 204 M N 4.094 123.352 119.600 -0.571 0.000 2.598 204 M HA 0.680 5.160 4.480 -0.000 0.000 0.317 204 M C -1.119 174.928 176.300 -0.422 0.000 1.179 204 M CA -0.659 54.183 55.300 -0.765 0.000 0.936 204 M CB 2.318 33.927 32.600 -1.651 0.000 1.713 204 M HN 0.393 nan 8.290 nan 0.000 0.460 205 V N 0.438 120.220 119.914 -0.221 0.000 2.588 205 V HA 0.452 4.572 4.120 -0.000 0.000 0.304 205 V C -1.290 174.874 176.094 0.116 0.000 1.042 205 V CA -0.759 61.530 62.300 -0.019 0.000 0.877 205 V CB 2.038 33.907 31.823 0.076 0.000 0.996 205 V HN 0.772 nan 8.190 nan 0.000 0.425 206 D N 2.600 123.077 120.400 0.128 0.000 2.373 206 D HA 0.280 4.920 4.640 -0.000 0.000 0.227 206 D C 0.666 177.049 176.300 0.138 0.000 1.091 206 D CA -0.313 53.766 54.000 0.132 0.000 0.840 206 D CB 1.554 42.428 40.800 0.125 0.000 1.060 206 D HN 0.573 nan 8.370 nan 0.000 0.502 207 C N 3.497 122.879 119.300 0.136 0.000 2.522 207 C HA 0.137 4.596 4.460 -0.000 0.000 0.271 207 C C 1.735 176.765 174.990 0.067 0.000 1.425 207 C CA -0.359 58.785 59.018 0.209 0.000 1.751 207 C CB -1.658 26.340 27.740 0.430 0.000 1.775 207 C HN 0.800 nan 8.230 nan 0.000 0.557 208 L N -0.350 120.852 121.223 -0.035 0.000 3.742 208 L HA -0.305 4.035 4.340 -0.000 0.000 0.431 208 L C -0.010 176.915 176.870 0.092 0.000 1.220 208 L CA 0.272 55.104 54.840 -0.014 0.000 0.863 208 L CB -2.178 39.936 42.059 0.093 0.000 1.751 208 L HN 0.576 nan 8.230 nan 0.000 0.922 209 Y N -3.092 117.292 120.300 0.141 0.000 4.032 209 Y HA -0.320 4.230 4.550 -0.001 0.000 0.230 209 Y C 1.762 177.712 175.900 0.083 0.000 1.202 209 Y CA 1.215 59.404 58.100 0.149 0.000 1.878 209 Y CB -1.802 36.731 38.460 0.123 0.000 1.586 209 Y HN 0.521 nan 8.280 nan 0.000 0.673 210 R N -0.118 120.417 120.500 0.058 0.000 2.096 210 R HA -0.100 4.240 4.340 -0.000 0.000 0.235 210 R C 0.475 176.644 176.300 -0.219 0.000 1.127 210 R CA 1.285 57.244 56.100 -0.235 0.000 0.968 210 R CB 0.129 30.006 30.300 -0.705 0.000 0.861 210 R HN 0.369 nan 8.270 nan 0.000 0.440 211 W N 0.511 121.901 121.300 0.150 0.000 2.438 211 W HA 0.163 4.824 4.660 0.001 0.000 0.324 211 W C 0.846 177.449 176.519 0.141 0.000 1.119 211 W CA -0.268 57.157 57.345 0.133 0.000 1.221 211 W CB 1.741 31.288 29.460 0.146 0.000 1.253 211 W HN 0.119 nan 8.180 nan 0.000 0.555 212 T N -2.797 111.961 114.554 0.340 0.000 3.026 212 T HA -0.047 4.303 4.350 -0.000 0.000 0.245 212 T C 0.034 174.881 174.700 0.245 0.000 1.004 212 T CA 0.282 62.531 62.100 0.249 0.000 1.069 212 T CB 0.105 69.074 68.868 0.168 0.000 1.005 212 T HN 0.166 nan 8.240 nan 0.000 0.472 213 D N 1.647 122.195 120.400 0.247 0.000 2.313 213 D HA 0.116 4.756 4.640 -0.000 0.000 0.239 213 D C 1.135 177.534 176.300 0.166 0.000 1.142 213 D CA -1.172 52.936 54.000 0.180 0.000 0.847 213 D CB 0.565 41.421 40.800 0.093 0.000 1.082 213 D HN 0.452 nan 8.370 nan 0.000 0.480 214 W N 4.247 125.571 121.300 0.040 0.000 2.350 214 W HA -0.166 4.498 4.660 0.007 0.000 0.289 214 W C 0.650 177.154 176.519 -0.025 0.000 1.215 214 W CA 0.410 57.746 57.345 -0.015 0.000 1.236 214 W CB -0.551 28.894 29.460 -0.025 0.000 1.130 214 W HN 0.401 nan 8.180 nan 0.000 0.541 215 Q N 1.276 120.563 119.800 -0.854 0.000 2.224 215 Q HA -0.136 4.204 4.340 -0.000 0.000 0.203 215 Q C 2.069 177.867 176.000 -0.336 0.000 0.970 215 Q CA 1.461 56.748 55.803 -0.860 0.000 0.865 215 Q CB -0.312 27.946 28.738 -0.799 0.000 0.922 215 Q HN 0.465 nan 8.270 nan 0.000 0.445 216 K N 0.461 120.748 120.400 -0.187 0.000 2.031 216 K HA -0.016 4.303 4.320 -0.000 0.000 0.205 216 K C 2.062 178.515 176.600 -0.246 0.000 1.049 216 K CA 0.902 57.154 56.287 -0.059 0.000 0.939 216 K CB -0.025 32.567 32.500 0.154 0.000 0.717 216 K HN 0.118 nan 8.250 nan 0.000 0.438 217 A N 1.555 124.025 122.820 -0.583 0.000 1.908 217 A HA -0.219 4.101 4.320 -0.000 0.000 0.218 217 A C 2.086 179.483 177.584 -0.311 0.000 1.181 217 A CA 1.659 53.137 52.037 -0.932 0.000 0.627 217 A CB -0.600 18.061 19.000 -0.566 0.000 0.818 217 A HN 0.331 nan 8.150 nan 0.000 0.445 218 R N -1.683 118.738 120.500 -0.132 0.000 2.083 218 R HA -0.242 4.098 4.340 -0.000 0.000 0.237 218 R C 2.058 178.336 176.300 -0.036 0.000 1.137 218 R CA 2.139 58.224 56.100 -0.025 0.000 0.951 218 R CB -0.566 29.684 30.300 -0.083 0.000 0.851 218 R HN 0.695 nan 8.270 nan 0.000 0.434 219 W N 1.512 122.688 121.300 -0.205 0.000 2.318 219 W HA -0.201 4.458 4.660 -0.002 0.000 0.313 219 W C 2.026 178.431 176.519 -0.191 0.000 1.221 219 W CA 2.486 59.733 57.345 -0.163 0.000 1.266 219 W CB -0.612 28.763 29.460 -0.142 0.000 1.150 219 W HN 0.039 nan 8.180 nan 0.000 0.496 220 T N 0.710 115.210 114.554 -0.091 0.000 2.684 220 T HA -0.233 4.116 4.350 -0.000 0.000 0.267 220 T C 1.413 175.679 174.700 -0.724 0.000 1.036 220 T CA 1.932 63.773 62.100 -0.432 0.000 1.148 220 T CB -0.659 67.904 68.868 -0.509 0.000 0.863 220 T HN 0.043 nan 8.240 nan 0.000 0.436 221 F N 0.814 120.618 119.950 -0.244 0.000 2.615 221 F HA 0.281 4.808 4.527 -0.000 0.000 0.297 221 F C 2.325 178.016 175.800 -0.182 0.000 1.124 221 F CA -0.131 57.755 58.000 -0.189 0.000 1.451 221 F CB -0.350 38.552 39.000 -0.163 0.000 1.103 221 F HN -0.027 nan 8.300 nan 0.000 0.569 222 R N 0.433 120.848 120.500 -0.143 0.000 2.073 222 R HA -0.165 4.174 4.340 -0.000 0.000 0.234 222 R C 2.114 178.255 176.300 -0.265 0.000 1.134 222 R CA 1.446 57.438 56.100 -0.181 0.000 0.952 222 R CB -0.128 30.043 30.300 -0.215 0.000 0.850 222 R HN 0.112 nan 8.270 nan 0.000 0.433 223 Q N 0.325 119.845 119.800 -0.467 0.000 2.226 223 Q HA -0.120 4.220 4.340 -0.000 0.000 0.204 223 Q C 1.706 177.566 176.000 -0.233 0.000 0.975 223 Q CA 1.104 56.648 55.803 -0.432 0.000 0.866 223 Q CB 0.000 28.344 28.738 -0.657 0.000 0.915 223 Q HN 0.447 nan 8.270 nan 0.000 0.440 224 L N 0.306 121.422 121.223 -0.178 0.000 2.653 224 L HA 0.088 4.428 4.340 -0.000 0.000 0.231 224 L C 1.569 178.444 176.870 0.009 0.000 1.153 224 L CA -0.069 54.733 54.840 -0.062 0.000 0.933 224 L CB 0.060 42.107 42.059 -0.020 0.000 1.175 224 L HN 0.122 nan 8.230 nan 0.000 0.473 225 E N 0.948 121.142 120.200 -0.010 0.000 2.160 225 E HA -0.256 4.094 4.350 -0.000 0.000 0.195 225 E C 1.239 177.867 176.600 0.046 0.000 0.991 225 E CA 1.680 58.091 56.400 0.018 0.000 0.810 225 E CB 0.046 29.743 29.700 -0.006 0.000 0.742 225 E HN 0.656 nan 8.360 nan 0.000 0.466 226 D N 0.333 120.760 120.400 0.045 0.000 2.347 226 D HA -0.107 4.533 4.640 -0.000 0.000 0.213 226 D C 1.782 178.216 176.300 0.223 0.000 0.985 226 D CA 0.364 54.420 54.000 0.094 0.000 0.879 226 D CB -0.423 40.408 40.800 0.051 0.000 0.919 226 D HN 0.437 nan 8.370 nan 0.000 0.526 227 I N -3.621 117.046 120.570 0.162 0.000 3.793 227 I HA 0.187 4.357 4.170 -0.000 0.000 0.315 227 I C -0.179 175.979 176.117 0.069 0.000 1.275 227 I CA 0.011 61.397 61.300 0.144 0.000 1.214 227 I CB -0.069 37.916 38.000 -0.024 0.000 1.018 227 I HN -0.294 nan 8.210 nan 0.000 0.439 228 D N 2.234 122.709 120.400 0.125 0.000 2.760 228 D HA -0.143 4.497 4.640 -0.000 0.000 0.244 228 D C -0.211 176.102 176.300 0.022 0.000 1.123 228 D CA 0.509 54.579 54.000 0.117 0.000 0.719 228 D CB -1.038 39.936 40.800 0.289 0.000 1.045 228 D HN 0.420 nan 8.370 nan 0.000 0.426 229 L N 1.045 122.265 121.223 -0.005 0.000 2.453 229 L HA 0.035 4.375 4.340 -0.000 0.000 0.272 229 L C 1.885 178.737 176.870 -0.031 0.000 1.182 229 L CA -0.321 54.490 54.840 -0.049 0.000 0.858 229 L CB 0.422 42.458 42.059 -0.038 0.000 1.120 229 L HN 0.228 nan 8.230 nan 0.000 0.474 230 Y N 4.976 125.162 120.300 -0.189 0.000 2.200 230 Y HA -0.135 4.416 4.550 0.001 0.000 0.290 230 Y C 0.456 176.321 175.900 -0.058 0.000 1.137 230 Y CA 0.989 59.001 58.100 -0.147 0.000 1.163 230 Y CB 0.332 38.653 38.460 -0.232 0.000 0.988 230 Y HN 0.496 nan 8.280 nan 0.000 0.518 231 F N -1.395 118.575 119.950 0.034 0.000 2.711 231 F HA 0.601 5.128 4.527 0.001 0.000 0.313 231 F C -1.924 173.789 175.800 -0.145 0.000 1.141 231 F CA -2.787 55.165 58.000 -0.081 0.000 0.941 231 F CB 0.485 39.472 39.000 -0.021 0.000 1.349 231 F HN -0.303 nan 8.300 nan 0.000 0.464 232 I N 2.023 122.764 120.570 0.286 0.000 2.439 232 I HA 0.334 4.504 4.170 -0.000 0.000 0.283 232 I C -0.773 175.350 176.117 0.009 0.000 1.023 232 I CA -0.455 60.844 61.300 -0.001 0.000 1.100 232 I CB 1.715 39.422 38.000 -0.487 0.000 1.238 232 I HN 0.773 nan 8.210 nan 0.000 0.445 233 E N 5.973 126.231 120.200 0.096 0.000 2.214 233 E HA 0.597 4.947 4.350 -0.000 0.000 0.274 233 E C 0.355 176.908 176.600 -0.077 0.000 0.977 233 E CA -0.362 56.010 56.400 -0.047 0.000 0.827 233 E CB 1.594 31.311 29.700 0.028 0.000 1.130 233 E HN 0.774 nan 8.360 nan 0.000 0.394 234 A N 2.894 125.620 122.820 -0.157 0.000 2.791 234 A HA -0.242 4.078 4.320 -0.000 0.000 0.292 234 A C 1.138 178.566 177.584 -0.261 0.000 1.487 234 A CA 0.794 52.561 52.037 -0.450 0.000 0.760 234 A CB -2.426 16.077 19.000 -0.828 0.000 1.031 234 A HN 0.787 nan 8.150 nan 0.000 0.503 235 C N -1.059 118.258 119.300 0.028 0.000 2.500 235 C HA 0.496 4.956 4.460 -0.000 0.000 0.279 235 C C 1.391 176.558 174.990 0.295 0.000 1.288 235 C CA 1.510 60.641 59.018 0.190 0.000 1.710 235 C CB -0.743 27.022 27.740 0.042 0.000 2.052 235 C HN 0.658 nan 8.230 nan 0.000 0.488 236 L N 0.406 121.734 121.223 0.176 0.000 2.260 236 L HA 0.437 4.777 4.340 -0.000 0.000 0.265 236 L C -0.501 176.679 176.870 0.518 0.000 1.015 236 L CA -0.891 54.088 54.840 0.232 0.000 0.826 236 L CB 0.505 42.490 42.059 -0.123 0.000 1.373 236 L HN 0.091 nan 8.230 nan 0.000 0.450 237 Q N 0.278 120.350 119.800 0.454 0.000 2.364 237 Q HA -0.003 4.337 4.340 -0.000 0.000 0.267 237 Q C 0.739 177.057 176.000 0.530 0.000 0.999 237 Q CA 0.307 56.381 55.803 0.453 0.000 0.886 237 Q CB 0.506 29.402 28.738 0.263 0.000 1.243 237 Q HN 0.495 nan 8.270 nan 0.000 0.415 238 H N 2.245 121.523 119.070 0.348 0.000 2.421 238 H HA -0.124 4.433 4.556 0.002 0.000 0.298 238 H C 0.126 175.603 175.328 0.248 0.000 1.087 238 H CA 1.358 57.646 56.048 0.400 0.000 1.330 238 H CB 0.746 30.640 29.762 0.220 0.000 1.388 238 H HN 0.548 nan 8.280 nan 0.000 0.526 239 D N 0.397 120.917 120.400 0.200 0.000 2.317 239 D HA -0.097 4.543 4.640 -0.000 0.000 0.211 239 D C 0.394 176.654 176.300 -0.066 0.000 0.966 239 D CA 0.533 54.555 54.000 0.037 0.000 0.876 239 D CB -0.293 40.542 40.800 0.057 0.000 0.927 239 D HN 0.321 nan 8.370 nan 0.000 0.519 240 D N 0.928 121.351 120.400 0.039 0.000 2.517 240 D HA 0.004 4.644 4.640 -0.000 0.000 0.220 240 D C 1.123 177.418 176.300 -0.009 0.000 1.158 240 D CA -0.262 53.764 54.000 0.043 0.000 0.992 240 D CB 0.221 41.106 40.800 0.142 0.000 1.058 240 D HN -0.203 nan 8.370 nan 0.000 0.516 241 L N 3.355 124.431 121.223 -0.246 0.000 2.072 241 L HA 0.007 4.346 4.340 -0.000 0.000 0.205 241 L C 2.128 178.883 176.870 -0.192 0.000 1.079 241 L CA 1.113 55.715 54.840 -0.397 0.000 0.752 241 L CB -0.532 41.227 42.059 -0.500 0.000 0.906 241 L HN 0.542 nan 8.230 nan 0.000 0.436 242 I N -0.939 119.540 120.570 -0.152 0.000 2.226 242 I HA -0.232 3.938 4.170 -0.000 0.000 0.245 242 I C 2.421 178.410 176.117 -0.214 0.000 1.100 242 I CA 1.340 62.543 61.300 -0.161 0.000 1.374 242 I CB -0.733 37.189 38.000 -0.130 0.000 1.057 242 I HN 0.341 nan 8.210 nan 0.000 0.413 243 G N -0.411 108.307 108.800 -0.136 0.000 2.422 243 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.218 243 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.218 243 G C 1.336 176.133 174.900 -0.172 0.000 1.146 243 G CA 0.858 45.856 45.100 -0.172 0.000 0.769 243 G HN 0.382 nan 8.290 nan 0.000 0.547 244 H N 0.230 119.234 119.070 -0.110 0.000 2.353 244 H HA -0.071 4.484 4.556 -0.002 0.000 0.300 244 H C 2.706 177.962 175.328 -0.121 0.000 1.090 244 H CA 1.901 57.922 56.048 -0.046 0.000 1.327 244 H CB -0.036 29.741 29.762 0.025 0.000 1.383 244 H HN 0.560 nan 8.280 nan 0.000 0.508 245 Q N 1.263 121.021 119.800 -0.069 0.000 2.172 245 Q HA -0.082 4.258 4.340 -0.000 0.000 0.200 245 Q C 1.657 177.511 176.000 -0.243 0.000 0.964 245 Q CA 1.509 57.238 55.803 -0.123 0.000 0.855 245 Q CB 0.000 28.663 28.738 -0.125 0.000 0.918 245 Q HN 0.257 nan 8.270 nan 0.000 0.444 246 K N -0.222 119.896 120.400 -0.470 0.000 2.057 246 K HA -0.090 4.230 4.320 -0.000 0.000 0.207 246 K C 1.895 178.127 176.600 -0.615 0.000 1.049 246 K CA 1.235 57.018 56.287 -0.840 0.000 0.931 246 K CB -0.216 31.205 32.500 -1.798 0.000 0.714 246 K HN 0.200 nan 8.250 nan 0.000 0.440 247 L N 1.087 122.124 121.223 -0.310 0.000 2.027 247 L HA -0.065 4.274 4.340 -0.000 0.000 0.206 247 L C 2.193 179.074 176.870 0.018 0.000 1.074 247 L CA 1.761 56.636 54.840 0.058 0.000 0.745 247 L CB -0.850 41.261 42.059 0.086 0.000 0.898 247 L HN 0.123 nan 8.230 nan 0.000 0.433 248 A N -0.444 122.362 122.820 -0.025 0.000 1.948 248 A HA -0.217 4.103 4.320 -0.000 0.000 0.220 248 A C 2.372 179.947 177.584 -0.016 0.000 1.177 248 A CA 2.124 54.153 52.037 -0.014 0.000 0.636 248 A CB -1.149 17.848 19.000 -0.004 0.000 0.815 248 A HN 0.580 nan 8.150 nan 0.000 0.449 249 A N -1.191 121.608 122.820 -0.035 0.000 2.067 249 A HA 0.411 4.731 4.320 -0.000 0.000 0.217 249 A C 2.243 179.838 177.584 0.018 0.000 1.156 249 A CA 1.531 53.554 52.037 -0.023 0.000 0.683 249 A CB -0.488 18.478 19.000 -0.056 0.000 0.808 249 A HN 0.970 nan 8.150 nan 0.000 0.455 250 A N -0.015 122.841 122.820 0.061 0.000 1.997 250 A HA 0.392 4.712 4.320 -0.000 0.000 0.212 250 A C 1.257 178.890 177.584 0.081 0.000 1.178 250 A CA 0.476 52.584 52.037 0.120 0.000 0.698 250 A CB -0.441 18.728 19.000 0.283 0.000 0.842 250 A HN 0.721 nan 8.150 nan 0.000 0.458 251 I N -2.296 118.309 120.570 0.060 0.000 3.156 251 I HA 0.310 4.480 4.170 -0.000 0.000 0.306 251 I C 0.417 176.540 176.117 0.010 0.000 1.048 251 I CA -0.327 60.993 61.300 0.034 0.000 1.207 251 I CB 0.627 38.634 38.000 0.013 0.000 1.456 251 I HN 0.217 nan 8.210 nan 0.000 0.616 252 N N 0.438 119.139 118.700 0.001 0.000 2.234 252 N HA 0.163 4.903 4.740 -0.000 0.000 0.227 252 N C -0.312 175.183 175.510 -0.026 0.000 1.151 252 N CA -0.333 52.712 53.050 -0.009 0.000 0.865 252 N CB 0.190 38.675 38.487 -0.003 0.000 1.066 252 N HN 0.844 nan 8.380 nan 0.000 0.515 253 T N -1.534 112.996 114.554 -0.040 0.000 2.604 253 T HA 0.488 4.838 4.350 -0.000 0.000 0.267 253 T C -0.285 174.372 174.700 -0.071 0.000 0.923 253 T CA -0.879 61.180 62.100 -0.067 0.000 1.077 253 T CB 1.156 69.980 68.868 -0.073 0.000 1.392 253 T HN -0.085 nan 8.240 nan 0.000 0.531 254 R N 0.170 120.621 120.500 -0.082 0.000 2.340 254 R HA 0.591 4.931 4.340 -0.000 0.000 0.300 254 R C -1.067 175.209 176.300 -0.040 0.000 1.069 254 R CA -0.637 55.430 56.100 -0.056 0.000 0.984 254 R CB 0.364 30.638 30.300 -0.043 0.000 1.003 254 R HN 0.289 nan 8.270 nan 0.000 0.459 255 L N 3.167 124.355 121.223 -0.057 0.000 2.317 255 L HA 0.403 4.742 4.340 -0.000 0.000 0.281 255 L C -0.842 175.960 176.870 -0.113 0.000 1.024 255 L CA -0.334 54.466 54.840 -0.066 0.000 0.810 255 L CB 1.394 43.446 42.059 -0.012 0.000 1.240 255 L HN 0.730 nan 8.230 nan 0.000 0.427 256 C N 2.571 121.753 119.300 -0.196 0.000 2.358 256 C HA 1.011 5.471 4.460 -0.000 0.000 0.354 256 C C 0.658 175.499 174.990 -0.248 0.000 1.183 256 C CA -0.269 58.557 59.018 -0.320 0.000 2.150 256 C CB 0.633 28.020 27.740 -0.588 0.000 2.361 256 C HN 1.009 nan 8.230 nan 0.000 0.535 257 G N -1.078 107.447 108.800 -0.459 0.000 2.600 257 G HA2 0.672 4.632 3.960 -0.000 0.000 0.293 257 G HA3 0.672 4.632 3.960 -0.000 0.000 0.293 257 G C -0.184 173.988 174.900 -1.213 0.000 1.408 257 G CA 0.120 44.641 45.100 -0.964 0.000 0.782 257 G HN 2.036 nan 8.290 nan 0.000 0.482 258 A N -1.081 120.629 122.820 -1.850 0.000 3.028 258 A HA -0.175 4.145 4.320 -0.000 0.000 0.248 258 A C 1.391 178.791 177.584 -0.306 0.000 1.316 258 A CA 1.924 53.245 52.037 -1.193 0.000 1.003 258 A CB -2.120 16.195 19.000 -1.143 0.000 1.148 258 A HN 1.276 nan 8.150 nan 0.000 0.828 259 E N -0.529 119.578 120.200 -0.155 0.000 2.118 259 E HA -0.140 4.210 4.350 -0.000 0.000 0.195 259 E C 1.675 178.168 176.600 -0.178 0.000 0.992 259 E CA 1.696 58.018 56.400 -0.130 0.000 0.804 259 E CB -0.145 29.507 29.700 -0.080 0.000 0.741 259 E HN 0.850 nan 8.360 nan 0.000 0.458 260 M N 0.791 120.260 119.600 -0.219 0.000 2.428 260 M HA 0.080 4.560 4.480 -0.000 0.000 0.239 260 M C 0.693 176.900 176.300 -0.156 0.000 1.121 260 M CA -0.196 54.863 55.300 -0.402 0.000 1.019 260 M CB 0.714 32.846 32.600 -0.780 0.000 1.485 260 M HN 0.000 nan 8.290 nan 0.000 0.484 261 S N 0.708 116.445 115.700 0.061 0.000 2.645 261 S HA 0.494 4.964 4.470 -0.000 0.000 0.266 261 S C 0.251 174.933 174.600 0.136 0.000 1.258 261 S CA -0.463 57.864 58.200 0.213 0.000 0.990 261 S CB 1.117 64.483 63.200 0.277 0.000 0.967 261 S HN 0.335 nan 8.310 nan 0.000 0.556 262 T N -1.942 112.722 114.554 0.183 0.000 2.900 262 T HA 0.692 5.042 4.350 -0.000 0.000 0.295 262 T C -0.163 174.653 174.700 0.192 0.000 1.044 262 T CA 0.096 62.306 62.100 0.185 0.000 0.995 262 T CB 0.730 69.738 68.868 0.233 0.000 1.072 262 T HN 2.423 nan 8.240 nan 0.000 0.473 263 T N 0.208 114.858 114.554 0.160 0.000 0.541 263 T HA -0.193 4.157 4.350 -0.000 0.000 0.774 263 T C 0.909 175.579 174.700 -0.051 0.000 0.992 263 T CA 0.592 62.751 62.100 0.098 0.000 4.077 263 T CB -0.908 68.132 68.868 0.286 0.000 2.303 263 T HN 1.425 nan 8.240 nan 0.000 0.398 264 R N 1.028 121.357 120.500 -0.285 0.000 2.193 264 R HA 0.025 4.365 4.340 -0.000 0.000 0.229 264 R C 1.777 177.919 176.300 -0.263 0.000 1.110 264 R CA 1.946 57.855 56.100 -0.318 0.000 0.988 264 R CB -0.575 29.462 30.300 -0.438 0.000 0.871 264 R HN 0.646 nan 8.270 nan 0.000 0.458 265 F N 2.034 122.015 119.950 0.052 0.000 2.146 265 F HA 0.001 4.526 4.527 -0.003 0.000 0.298 265 F C 2.362 178.208 175.800 0.075 0.000 1.096 265 F CA 1.122 59.157 58.000 0.058 0.000 1.275 265 F CB -0.432 38.606 39.000 0.064 0.000 1.008 265 F HN 0.024 nan 8.300 nan 0.000 0.480 266 E N 0.428 120.787 120.200 0.266 0.000 2.047 266 E HA -0.151 4.199 4.350 -0.000 0.000 0.191 266 E C 2.502 179.272 176.600 0.283 0.000 0.987 266 E CA 0.929 57.485 56.400 0.260 0.000 0.799 266 E CB -0.416 29.458 29.700 0.290 0.000 0.752 266 E HN 0.330 nan 8.360 nan 0.000 0.449 267 A N 1.549 124.465 122.820 0.160 0.000 1.903 267 A HA -0.336 3.984 4.320 -0.000 0.000 0.219 267 A C 2.138 179.771 177.584 0.083 0.000 1.191 267 A CA 2.107 54.192 52.037 0.080 0.000 0.638 267 A CB -0.729 18.251 19.000 -0.033 0.000 0.823 267 A HN 0.269 nan 8.150 nan 0.000 0.451 268 Q N -0.908 118.922 119.800 0.051 0.000 2.167 268 Q HA -0.193 4.146 4.340 -0.000 0.000 0.202 268 Q C 2.088 178.104 176.000 0.026 0.000 0.970 268 Q CA 1.553 57.368 55.803 0.021 0.000 0.855 268 Q CB -0.135 28.634 28.738 0.052 0.000 0.911 268 Q HN 0.799 nan 8.270 nan 0.000 0.438 269 E N -0.514 119.728 120.200 0.069 0.000 2.047 269 E HA -0.194 4.156 4.350 -0.000 0.000 0.191 269 E C 1.460 178.037 176.600 -0.039 0.000 0.987 269 E CA 1.122 57.527 56.400 0.008 0.000 0.799 269 E CB -0.181 29.510 29.700 -0.014 0.000 0.752 269 E HN 0.461 nan 8.360 nan 0.000 0.449 270 W N 0.585 121.813 121.300 -0.120 0.000 2.302 270 W HA -0.267 4.394 4.660 0.003 0.000 0.320 270 W C 2.227 178.640 176.519 -0.178 0.000 1.241 270 W CA 0.524 57.769 57.345 -0.167 0.000 1.264 270 W CB -0.580 28.766 29.460 -0.189 0.000 1.154 270 W HN 0.204 nan 8.180 nan 0.000 0.483 271 L N 0.233 121.469 121.223 0.022 0.000 1.989 271 L HA -0.225 4.115 4.340 -0.000 0.000 0.211 271 L C 2.126 178.865 176.870 -0.218 0.000 1.071 271 L CA 1.978 56.687 54.840 -0.218 0.000 0.749 271 L CB -1.709 40.020 42.059 -0.550 0.000 0.890 271 L HN 0.102 nan 8.230 nan 0.000 0.431 272 E N -1.129 118.981 120.200 -0.149 0.000 2.150 272 E HA -0.231 4.118 4.350 -0.000 0.000 0.193 272 E C 2.153 178.742 176.600 -0.018 0.000 0.985 272 E CA 1.099 57.492 56.400 -0.012 0.000 0.814 272 E CB 0.131 29.861 29.700 0.049 0.000 0.752 272 E HN 0.257 nan 8.360 nan 0.000 0.466 273 K N -0.524 119.838 120.400 -0.064 0.000 2.166 273 K HA -0.031 4.289 4.320 -0.000 0.000 0.201 273 K C 2.009 178.552 176.600 -0.095 0.000 1.052 273 K CA 1.532 57.761 56.287 -0.095 0.000 0.969 273 K CB 0.244 32.645 32.500 -0.165 0.000 0.761 273 K HN 0.151 nan 8.250 nan 0.000 0.459 274 T N -4.381 110.127 114.554 -0.076 0.000 3.000 274 T HA 0.211 4.561 4.350 -0.000 0.000 0.248 274 T C 1.353 176.052 174.700 -0.001 0.000 1.034 274 T CA 0.509 62.585 62.100 -0.040 0.000 1.060 274 T CB 0.358 69.233 68.868 0.011 0.000 0.983 274 T HN 0.267 nan 8.240 nan 0.000 0.482 275 G N 2.821 111.623 108.800 0.004 0.000 2.153 275 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.252 275 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.252 275 G C 0.192 175.100 174.900 0.014 0.000 0.994 275 G CA 0.114 45.219 45.100 0.008 0.000 0.698 275 G HN 1.203 nan 8.290 nan 0.000 0.521 276 I N -1.757 118.839 120.570 0.043 0.000 2.948 276 I HA 0.347 4.517 4.170 -0.000 0.000 0.303 276 I C 1.222 177.324 176.117 -0.026 0.000 1.224 276 I CA 0.792 62.105 61.300 0.022 0.000 1.442 276 I CB 0.436 38.460 38.000 0.039 0.000 1.328 276 I HN -0.065 nan 8.210 nan 0.000 0.578 277 S N 3.390 119.062 115.700 -0.048 0.000 2.517 277 S HA 0.245 4.715 4.470 -0.000 0.000 0.214 277 S C 0.312 174.877 174.600 -0.058 0.000 0.991 277 S CA -0.177 57.996 58.200 -0.045 0.000 0.906 277 S CB 0.287 63.459 63.200 -0.047 0.000 0.789 277 S HN 0.515 nan 8.310 nan 0.000 0.513 278 V N 2.124 121.970 119.914 -0.114 0.000 2.525 278 V HA 0.444 4.564 4.120 -0.000 0.000 0.299 278 V C -0.524 175.443 176.094 -0.212 0.000 1.034 278 V CA -0.720 61.491 62.300 -0.148 0.000 0.863 278 V CB 1.819 33.493 31.823 -0.247 0.000 0.999 278 V HN -0.039 nan 8.190 nan 0.000 0.423 279 V N 4.983 124.796 119.914 -0.169 0.000 2.481 279 V HA 0.362 4.482 4.120 -0.000 0.000 0.286 279 V C 0.476 176.443 176.094 -0.211 0.000 1.042 279 V CA -0.110 62.057 62.300 -0.221 0.000 0.928 279 V CB 1.662 33.386 31.823 -0.165 0.000 0.986 279 V HN 1.001 nan 8.190 nan 0.000 0.462 280 Q N 1.307 120.948 119.800 -0.264 0.000 2.139 280 Q HA 0.204 4.544 4.340 -0.000 0.000 0.219 280 Q C 0.352 176.239 176.000 -0.188 0.000 0.805 280 Q CA -0.237 55.450 55.803 -0.194 0.000 1.024 280 Q CB 1.013 29.647 28.738 -0.173 0.000 1.163 280 Q HN 0.791 nan 8.270 nan 0.000 0.485 281 S N 2.370 117.937 115.700 -0.222 0.000 2.643 281 S HA -0.101 4.369 4.470 -0.000 0.000 0.310 281 S C -0.058 174.390 174.600 -0.253 0.000 1.253 281 S CA 0.496 58.575 58.200 -0.202 0.000 1.047 281 S CB 0.326 63.413 63.200 -0.189 0.000 0.767 281 S HN 0.224 nan 8.310 nan 0.000 0.498 282 D N 0.718 121.004 120.400 -0.189 0.000 2.210 282 D HA 0.186 4.826 4.640 -0.000 0.000 0.249 282 D C 0.703 176.877 176.300 -0.209 0.000 1.078 282 D CA -0.649 53.253 54.000 -0.164 0.000 0.875 282 D CB 0.485 41.265 40.800 -0.033 0.000 1.175 282 D HN 0.508 nan 8.370 nan 0.000 0.440 283 Y N 2.668 122.896 120.300 -0.120 0.000 2.132 283 Y HA -0.309 4.242 4.550 0.001 0.000 0.280 283 Y C 1.753 177.604 175.900 -0.081 0.000 1.193 283 Y CA 2.003 60.017 58.100 -0.144 0.000 1.157 283 Y CB -0.463 37.911 38.460 -0.143 0.000 0.966 283 Y HN 0.507 nan 8.280 nan 0.000 0.511 284 N N -1.081 117.666 118.700 0.080 0.000 2.238 284 N HA 0.191 4.930 4.740 -0.000 0.000 0.222 284 N C 0.696 176.164 175.510 -0.070 0.000 1.133 284 N CA -0.090 52.974 53.050 0.023 0.000 0.854 284 N CB 0.286 38.775 38.487 0.003 0.000 1.041 284 N HN 0.227 nan 8.380 nan 0.000 0.510 285 R N -0.797 119.662 120.500 -0.067 0.000 2.622 285 R HA 0.165 4.505 4.340 -0.000 0.000 0.180 285 R C 1.381 177.790 176.300 0.181 0.000 0.813 285 R CA 0.737 56.786 56.100 -0.085 0.000 1.049 285 R CB -0.397 29.721 30.300 -0.304 0.000 1.438 285 R HN 0.381 nan 8.270 nan 0.000 0.636 286 C N -0.389 118.959 119.300 0.080 0.000 2.500 286 C HA 0.424 4.884 4.460 -0.000 0.000 0.273 286 C C 1.506 176.598 174.990 0.169 0.000 1.428 286 C CA 0.486 59.564 59.018 0.100 0.000 1.766 286 C CB -0.311 27.418 27.740 -0.019 0.000 1.817 286 C HN 0.701 nan 8.230 nan 0.000 0.543 287 G N -0.971 107.956 108.800 0.212 0.000 2.425 287 G HA2 0.444 4.404 3.960 -0.000 0.000 0.177 287 G HA3 0.444 4.404 3.960 -0.000 0.000 0.177 287 G C 0.746 175.851 174.900 0.341 0.000 0.999 287 G CA 0.418 45.740 45.100 0.370 0.000 0.723 287 G HN 2.243 nan 8.290 nan 0.000 0.491 288 G N -1.443 107.448 108.800 0.152 0.000 2.582 288 G HA2 0.092 4.052 3.960 -0.000 0.000 0.222 288 G HA3 0.092 4.052 3.960 -0.000 0.000 0.222 288 G C 0.850 175.741 174.900 -0.013 0.000 1.311 288 G CA 0.162 45.329 45.100 0.111 0.000 0.915 288 G HN 1.158 nan 8.290 nan 0.000 0.528 289 V N 0.660 120.555 119.914 -0.031 0.000 2.490 289 V HA -0.152 3.968 4.120 -0.000 0.000 0.250 289 V C 3.111 179.129 176.094 -0.127 0.000 1.061 289 V CA 3.215 65.398 62.300 -0.195 0.000 1.064 289 V CB -0.931 30.590 31.823 -0.503 0.000 0.670 289 V HN 0.932 nan 8.190 nan 0.000 0.461 290 T N -0.677 113.891 114.554 0.023 0.000 2.821 290 T HA -0.183 4.167 4.350 -0.000 0.000 0.267 290 T C 1.909 176.481 174.700 -0.214 0.000 1.046 290 T CA 1.649 63.759 62.100 0.015 0.000 1.139 290 T CB -0.103 68.837 68.868 0.119 0.000 0.871 290 T HN 0.477 nan 8.240 nan 0.000 0.454 291 E N 0.981 120.981 120.200 -0.332 0.000 2.107 291 E HA 0.070 4.420 4.350 -0.000 0.000 0.191 291 E C 2.013 178.485 176.600 -0.214 0.000 0.982 291 E CA 0.674 56.850 56.400 -0.373 0.000 0.809 291 E CB -0.480 29.046 29.700 -0.291 0.000 0.756 291 E HN 0.401 nan 8.360 nan 0.000 0.459 292 L N 0.098 121.200 121.223 -0.202 0.000 2.131 292 L HA -0.163 4.177 4.340 -0.000 0.000 0.210 292 L C 2.327 179.209 176.870 0.020 0.000 1.092 292 L CA 0.789 55.491 54.840 -0.229 0.000 0.759 292 L CB -0.336 41.342 42.059 -0.636 0.000 0.903 292 L HN 0.239 nan 8.230 nan 0.000 0.435 293 L N -0.831 120.449 121.223 0.095 0.000 2.083 293 L HA -0.210 4.130 4.340 -0.000 0.000 0.209 293 L C 2.761 179.656 176.870 0.042 0.000 1.083 293 L CA 1.217 56.146 54.840 0.150 0.000 0.752 293 L CB -0.420 41.703 42.059 0.106 0.000 0.899 293 L HN 0.194 nan 8.230 nan 0.000 0.433 294 R N 0.020 120.495 120.500 -0.042 0.000 2.075 294 R HA -0.092 4.248 4.340 -0.000 0.000 0.232 294 R C 2.264 178.531 176.300 -0.056 0.000 1.126 294 R CA 1.256 57.313 56.100 -0.071 0.000 0.963 294 R CB -0.276 29.932 30.300 -0.153 0.000 0.858 294 R HN 0.316 nan 8.270 nan 0.000 0.435 295 I N 0.558 121.087 120.570 -0.068 0.000 2.394 295 I HA -0.280 3.890 4.170 -0.000 0.000 0.251 295 I C 2.611 178.731 176.117 0.004 0.000 1.136 295 I CA 1.025 62.293 61.300 -0.053 0.000 1.425 295 I CB -0.212 37.735 38.000 -0.089 0.000 1.079 295 I HN 0.264 nan 8.210 nan 0.000 0.425 296 M N 0.972 120.605 119.600 0.054 0.000 2.080 296 M HA -0.259 4.221 4.480 -0.000 0.000 0.260 296 M C 1.695 178.011 176.300 0.026 0.000 1.068 296 M CA 2.057 57.395 55.300 0.064 0.000 1.109 296 M CB -0.200 32.460 32.600 0.100 0.000 1.342 296 M HN 0.131 nan 8.290 nan 0.000 0.405 297 D N 0.587 121.006 120.400 0.033 0.000 2.117 297 D HA -0.118 4.521 4.640 -0.000 0.000 0.197 297 D C 1.939 178.283 176.300 0.073 0.000 0.987 297 D CA 1.543 55.569 54.000 0.044 0.000 0.829 297 D CB -0.415 40.405 40.800 0.033 0.000 0.961 297 D HN 0.483 nan 8.370 nan 0.000 0.460 298 I N 0.491 121.103 120.570 0.071 0.000 2.252 298 I HA -0.268 3.902 4.170 -0.000 0.000 0.245 298 I C 2.475 178.719 176.117 0.211 0.000 1.102 298 I CA 0.599 61.983 61.300 0.141 0.000 1.385 298 I CB -0.178 37.873 38.000 0.085 0.000 1.064 298 I HN 0.053 nan 8.210 nan 0.000 0.414 299 C N 0.453 119.816 119.300 0.105 0.000 2.413 299 C HA -0.208 4.251 4.460 -0.000 0.000 0.276 299 C C 2.799 177.848 174.990 0.097 0.000 1.236 299 C CA 1.286 60.356 59.018 0.086 0.000 1.735 299 C CB -1.054 26.698 27.740 0.020 0.000 2.031 299 C HN 0.544 nan 8.230 nan 0.000 0.474 300 E N 0.035 120.274 120.200 0.064 0.000 2.097 300 E HA -0.326 4.024 4.350 -0.000 0.000 0.196 300 E C 1.930 178.579 176.600 0.082 0.000 1.000 300 E CA 1.896 58.323 56.400 0.045 0.000 0.804 300 E CB -0.296 29.426 29.700 0.037 0.000 0.740 300 E HN 0.831 nan 8.360 nan 0.000 0.454 301 H N -0.606 118.479 119.070 0.026 0.000 2.353 301 H HA -0.114 4.440 4.556 -0.005 0.000 0.300 301 H C 1.308 176.568 175.328 -0.113 0.000 1.090 301 H CA 2.309 58.332 56.048 -0.043 0.000 1.327 301 H CB -0.215 29.508 29.762 -0.066 0.000 1.383 301 H HN 0.290 nan 8.280 nan 0.000 0.508 302 H N -0.518 118.478 119.070 -0.123 0.000 2.547 302 H HA 0.075 4.629 4.556 -0.004 0.000 0.266 302 H C 0.644 175.904 175.328 -0.115 0.000 0.988 302 H CA 0.571 56.519 56.048 -0.168 0.000 1.147 302 H CB -0.238 29.489 29.762 -0.058 0.000 1.365 302 H HN 0.419 nan 8.280 nan 0.000 0.589 303 N N -0.105 118.587 118.700 -0.012 0.000 2.716 303 N HA -0.224 4.516 4.740 -0.000 0.000 0.250 303 N C -0.918 174.597 175.510 0.008 0.000 1.033 303 N CA 0.578 53.621 53.050 -0.011 0.000 0.727 303 N CB -0.888 37.578 38.487 -0.035 0.000 0.950 303 N HN 0.503 nan 8.380 nan 0.000 0.541 304 A N 0.045 122.883 122.820 0.029 0.000 2.311 304 A HA 0.685 5.004 4.320 -0.000 0.000 0.334 304 A C 0.020 177.605 177.584 0.001 0.000 1.139 304 A CA -0.560 51.483 52.037 0.011 0.000 0.830 304 A CB 0.955 19.959 19.000 0.006 0.000 1.234 304 A HN 0.425 nan 8.150 nan 0.000 0.483 305 Q N -0.517 119.286 119.800 0.006 0.000 2.227 305 Q HA 0.524 4.864 4.340 -0.000 0.000 0.245 305 Q C -1.297 174.711 176.000 0.014 0.000 0.926 305 Q CA -0.679 55.139 55.803 0.024 0.000 0.895 305 Q CB 1.912 30.702 28.738 0.087 0.000 1.230 305 Q HN 0.540 nan 8.270 nan 0.000 0.450 306 L N 2.381 123.625 121.223 0.034 0.000 2.316 306 L HA 0.433 4.773 4.340 -0.000 0.000 0.280 306 L C -1.301 175.625 176.870 0.092 0.000 1.006 306 L CA 0.144 55.008 54.840 0.040 0.000 0.836 306 L CB 1.006 43.112 42.059 0.078 0.000 1.221 306 L HN 0.654 nan 8.230 nan 0.000 0.418 307 M N 7.348 126.979 119.600 0.052 0.000 1.986 307 M HA 0.371 4.851 4.480 -0.000 0.000 0.247 307 M C -2.463 173.840 176.300 0.004 0.000 0.851 307 M CA -1.471 53.896 55.300 0.112 0.000 0.785 307 M CB 1.236 33.993 32.600 0.262 0.000 1.554 307 M HN 0.347 nan 8.290 nan 0.000 0.361 308 P HA -0.026 nan 4.420 nan 0.000 0.268 308 P C -0.522 176.691 177.300 -0.146 0.000 1.204 308 P CA 0.183 63.066 63.100 -0.362 0.000 0.768 308 P CB 0.238 31.283 31.700 -1.091 0.000 0.842 309 H N 3.160 122.131 119.070 -0.165 0.000 3.125 309 H HA 0.054 4.610 4.556 -0.000 0.000 0.310 309 H C 0.042 175.412 175.328 0.070 0.000 0.980 309 H CA 0.921 56.952 56.048 -0.027 0.000 1.422 309 H CB -0.065 29.667 29.762 -0.050 0.000 1.432 309 H HN 0.180 nan 8.280 nan 0.000 0.577 310 N N 5.880 124.401 118.700 -0.298 0.000 2.690 310 N HA 0.086 4.826 4.740 -0.000 0.000 0.255 310 N C -1.987 173.380 175.510 -0.237 0.000 1.195 310 N CA -0.568 52.402 53.050 -0.133 0.000 0.790 310 N CB 0.202 38.686 38.487 -0.005 0.000 1.216 310 N HN 0.675 nan 8.380 nan 0.000 0.528 311 W N 6.001 127.019 121.300 -0.469 0.000 2.073 311 W HA 0.364 5.023 4.660 -0.000 0.000 0.295 311 W C -0.928 175.473 176.519 -0.197 0.000 1.005 311 W CA -0.311 56.822 57.345 -0.354 0.000 1.451 311 W CB 0.491 29.717 29.460 -0.390 0.000 1.515 311 W HN 0.289 nan 8.180 nan 0.000 0.341 312 K N 0.555 120.824 120.400 -0.218 0.000 3.747 312 K HA 0.455 4.775 4.320 -0.000 0.000 0.286 312 K C -0.138 176.333 176.600 -0.214 0.000 1.421 312 K CA 0.245 56.452 56.287 -0.134 0.000 1.450 312 K CB 0.786 33.245 32.500 -0.069 0.000 2.881 312 K HN -0.023 nan 8.250 nan 0.000 0.779 313 T N -1.145 113.301 114.554 -0.179 0.000 2.887 313 T HA 0.385 4.735 4.350 -0.000 0.000 0.292 313 T C 0.692 175.278 174.700 -0.191 0.000 1.087 313 T CA -0.093 61.913 62.100 -0.157 0.000 1.009 313 T CB 1.608 70.428 68.868 -0.081 0.000 1.203 313 T HN 0.461 nan 8.240 nan 0.000 0.518 314 G N 0.420 109.118 108.800 -0.170 0.000 2.527 314 G HA2 -0.065 3.895 3.960 -0.000 0.000 0.219 314 G HA3 -0.065 3.895 3.960 -0.000 0.000 0.219 314 G C 1.317 176.144 174.900 -0.122 0.000 1.117 314 G CA 0.602 45.605 45.100 -0.163 0.000 0.759 314 G HN 0.692 nan 8.290 nan 0.000 0.556 315 I N 0.495 121.004 120.570 -0.102 0.000 2.193 315 I HA -0.135 4.035 4.170 -0.000 0.000 0.240 315 I C 2.940 178.989 176.117 -0.114 0.000 1.084 315 I CA 1.380 62.637 61.300 -0.072 0.000 1.365 315 I CB -0.613 37.361 38.000 -0.043 0.000 1.064 315 I HN 0.051 nan 8.210 nan 0.000 0.410 316 T N 1.051 115.511 114.554 -0.157 0.000 2.720 316 T HA -0.188 4.162 4.350 -0.000 0.000 0.268 316 T C 2.065 176.551 174.700 -0.356 0.000 1.037 316 T CA 1.457 63.405 62.100 -0.253 0.000 1.144 316 T CB -0.373 68.372 68.868 -0.205 0.000 0.864 316 T HN 0.475 nan 8.240 nan 0.000 0.444 317 A N 1.610 124.242 122.820 -0.313 0.000 1.892 317 A HA -0.001 4.319 4.320 -0.000 0.000 0.218 317 A C 2.672 180.193 177.584 -0.105 0.000 1.188 317 A CA 2.115 53.951 52.037 -0.334 0.000 0.631 317 A CB -1.230 17.541 19.000 -0.382 0.000 0.822 317 A HN 0.535 nan 8.150 nan 0.000 0.447 318 A N -0.251 122.537 122.820 -0.053 0.000 1.883 318 A HA 0.110 4.430 4.320 -0.000 0.000 0.217 318 A C 2.548 180.184 177.584 0.086 0.000 1.186 318 A CA 2.381 54.459 52.037 0.069 0.000 0.624 318 A CB -1.137 17.897 19.000 0.057 0.000 0.822 318 A HN 1.170 nan 8.150 nan 0.000 0.444 319 A N -0.125 122.641 122.820 -0.090 0.000 1.883 319 A HA 0.103 4.423 4.320 -0.000 0.000 0.217 319 A C 2.533 179.996 177.584 -0.202 0.000 1.186 319 A CA 2.345 54.290 52.037 -0.154 0.000 0.624 319 A CB -1.132 17.694 19.000 -0.291 0.000 0.822 319 A HN 1.167 nan 8.150 nan 0.000 0.444 320 A N -0.229 122.306 122.820 -0.474 0.000 1.940 320 A HA -0.197 4.122 4.320 -0.000 0.000 0.219 320 A C 2.235 179.879 177.584 0.100 0.000 1.176 320 A CA 1.592 53.474 52.037 -0.258 0.000 0.631 320 A CB -0.491 18.368 19.000 -0.235 0.000 0.814 320 A HN 0.587 nan 8.150 nan 0.000 0.446 321 R N -1.339 119.231 120.500 0.116 0.000 2.081 321 R HA -0.106 4.234 4.340 -0.000 0.000 0.235 321 R C 2.150 178.429 176.300 -0.035 0.000 1.131 321 R CA 1.458 57.592 56.100 0.056 0.000 0.960 321 R CB -0.551 29.774 30.300 0.042 0.000 0.856 321 R HN 0.686 nan 8.270 nan 0.000 0.436 322 H N -0.627 118.495 119.070 0.086 0.000 2.333 322 H HA -0.102 4.453 4.556 -0.001 0.000 0.302 322 H C 2.003 177.400 175.328 0.115 0.000 1.075 322 H CA 1.450 57.572 56.048 0.122 0.000 1.348 322 H CB -0.293 29.547 29.762 0.131 0.000 1.393 322 H HN 0.117 nan 8.280 nan 0.000 0.509 323 F N 1.531 121.551 119.950 0.118 0.000 2.069 323 F HA -0.141 4.385 4.527 -0.001 0.000 0.298 323 F C 2.622 178.463 175.800 0.068 0.000 1.113 323 F CA 1.546 59.602 58.000 0.094 0.000 1.214 323 F CB -0.701 38.420 39.000 0.202 0.000 0.978 323 F HN 0.109 nan 8.300 nan 0.000 0.474 324 G N 0.333 109.244 108.800 0.185 0.000 2.505 324 G HA2 -0.354 3.606 3.960 -0.000 0.000 0.220 324 G HA3 -0.354 3.606 3.960 -0.000 0.000 0.220 324 G C 1.611 176.457 174.900 -0.088 0.000 1.145 324 G CA 1.314 46.446 45.100 0.053 0.000 0.761 324 G HN 0.447 nan 8.290 nan 0.000 0.571 325 I N 0.090 120.586 120.570 -0.123 0.000 3.111 325 I HA 0.071 4.241 4.170 -0.000 0.000 0.272 325 I C 2.188 178.201 176.117 -0.175 0.000 1.268 325 I CA 0.469 61.657 61.300 -0.188 0.000 1.467 325 I CB 0.472 38.281 38.000 -0.319 0.000 1.087 325 I HN 0.044 nan 8.210 nan 0.000 0.467 326 V N -1.186 118.618 119.914 -0.182 0.000 3.263 326 V HA 0.018 4.138 4.120 -0.000 0.000 0.248 326 V C 1.159 177.128 176.094 -0.208 0.000 1.145 326 V CA 0.292 62.493 62.300 -0.165 0.000 1.107 326 V CB 0.141 31.860 31.823 -0.174 0.000 0.797 326 V HN 0.421 nan 8.190 nan 0.000 0.467 327 C N 3.496 122.566 119.300 -0.383 0.000 2.645 327 C HA 0.100 4.560 4.460 -0.000 0.000 0.451 327 C C 2.207 177.075 174.990 -0.203 0.000 1.018 327 C CA -0.381 58.398 59.018 -0.399 0.000 1.180 327 C CB -2.079 25.352 27.740 -0.514 0.000 1.563 327 C HN 0.710 nan 8.230 nan 0.000 0.551 328 H N 2.813 121.795 119.070 -0.147 0.000 2.545 328 H HA -0.097 4.459 4.556 -0.000 0.000 0.282 328 H C 1.595 176.883 175.328 -0.067 0.000 1.020 328 H CA 1.679 57.668 56.048 -0.097 0.000 1.243 328 H CB -0.331 29.383 29.762 -0.080 0.000 1.377 328 H HN 0.824 nan 8.280 nan 0.000 0.581 329 I N -0.922 119.358 120.570 -0.483 0.000 3.251 329 I HA 0.155 4.325 4.170 -0.000 0.000 0.277 329 I C -0.025 176.022 176.117 -0.117 0.000 1.268 329 I CA -0.147 60.977 61.300 -0.293 0.000 1.449 329 I CB 0.164 37.980 38.000 -0.306 0.000 1.083 329 I HN -0.082 nan 8.210 nan 0.000 0.464 330 S N 1.538 117.182 115.700 -0.094 0.000 2.433 330 S HA 0.189 4.659 4.470 -0.000 0.000 0.310 330 S C 0.776 175.345 174.600 -0.053 0.000 1.097 330 S CA -0.538 57.653 58.200 -0.015 0.000 1.103 330 S CB 1.951 65.173 63.200 0.036 0.000 0.992 330 S HN 0.345 nan 8.310 nan 0.000 0.469 331 E N 2.312 122.456 120.200 -0.093 0.000 2.077 331 E HA -0.132 4.218 4.350 -0.000 0.000 0.193 331 E C -0.631 175.685 176.600 -0.474 0.000 0.989 331 E CA 1.488 57.681 56.400 -0.346 0.000 0.800 331 E CB 0.160 29.550 29.700 -0.516 0.000 0.746 331 E HN 0.679 nan 8.360 nan 0.000 0.452 332 Y N -1.307 119.024 120.300 0.051 0.000 2.633 332 Y HA 0.438 4.988 4.550 -0.001 0.000 0.339 332 Y C -0.076 175.860 175.900 0.061 0.000 1.045 332 Y CA -1.273 56.843 58.100 0.026 0.000 1.098 332 Y CB 1.639 40.144 38.460 0.075 0.000 1.296 332 Y HN -0.171 nan 8.280 nan 0.000 0.494 333 V N -2.305 117.704 119.914 0.157 0.000 3.102 333 V HA 0.575 4.695 4.120 -0.000 0.000 0.312 333 V C -0.592 175.336 176.094 -0.277 0.000 1.135 333 V CA -1.405 60.945 62.300 0.084 0.000 1.022 333 V CB 1.775 33.695 31.823 0.162 0.000 1.056 333 V HN 0.812 nan 8.190 nan 0.000 0.436 334 E N 0.730 120.697 120.200 -0.389 0.000 2.414 334 E HA 0.257 4.607 4.350 -0.000 0.000 0.263 334 E C -1.844 174.582 176.600 -0.291 0.000 1.000 334 E CA -0.058 55.885 56.400 -0.762 0.000 0.914 334 E CB 0.554 30.062 29.700 -0.320 0.000 0.948 334 E HN 0.741 nan 8.360 nan 0.000 0.444 335 Y N 4.148 124.166 120.300 -0.470 0.000 2.396 335 Y HA 0.297 4.847 4.550 -0.001 0.000 0.332 335 Y C -1.505 174.406 175.900 0.018 0.000 1.034 335 Y CA -1.136 56.849 58.100 -0.192 0.000 1.057 335 Y CB 1.287 39.617 38.460 -0.217 0.000 1.220 335 Y HN 0.527 nan 8.280 nan 0.000 0.440 336 L N 6.764 127.827 121.223 -0.268 0.000 2.255 336 L HA 0.416 4.756 4.340 -0.000 0.000 0.289 336 L C -1.248 175.574 176.870 -0.079 0.000 1.046 336 L CA -0.025 54.712 54.840 -0.172 0.000 0.816 336 L CB 0.146 41.852 42.059 -0.587 0.000 1.197 336 L HN 0.692 nan 8.230 nan 0.000 0.427 337 H N 6.394 125.643 119.070 0.298 0.000 2.457 337 H HA 0.398 4.954 4.556 -0.000 0.000 0.335 337 H C -2.108 173.263 175.328 0.072 0.000 1.115 337 H CA -1.932 54.284 56.048 0.280 0.000 1.219 337 H CB 2.307 32.308 29.762 0.400 0.000 1.471 337 H HN 0.460 nan 8.280 nan 0.000 0.491 338 P HA -0.139 nan 4.420 nan 0.000 0.220 338 P C 0.743 178.010 177.300 -0.054 0.000 1.144 338 P CA 1.043 64.063 63.100 -0.134 0.000 0.800 338 P CB 0.391 31.940 31.700 -0.252 0.000 0.772 339 D N -1.932 118.467 120.400 -0.001 0.000 2.263 339 D HA -0.100 4.540 4.640 -0.000 0.000 0.208 339 D C 0.941 176.939 176.300 -0.503 0.000 0.971 339 D CA 1.087 54.843 54.000 -0.406 0.000 0.867 339 D CB -0.355 39.915 40.800 -0.883 0.000 0.929 339 D HN 0.269 nan 8.370 nan 0.000 0.492 340 F N -2.130 117.933 119.950 0.188 0.000 2.706 340 F HA 0.252 4.779 4.527 0.000 0.000 0.313 340 F C 0.377 176.392 175.800 0.359 0.000 1.096 340 F CA -0.691 57.446 58.000 0.228 0.000 1.219 340 F CB 0.429 39.582 39.000 0.255 0.000 1.051 340 F HN -0.092 nan 8.300 nan 0.000 0.568 341 W N 0.884 122.267 121.300 0.138 0.000 3.097 341 W HA 0.248 4.908 4.660 0.001 0.000 0.335 341 W C -0.610 175.908 176.519 -0.003 0.000 1.114 341 W CA -0.524 56.869 57.345 0.081 0.000 1.231 341 W CB 1.525 30.962 29.460 -0.038 0.000 1.388 341 W HN -0.216 nan 8.180 nan 0.000 0.485 342 N N 2.128 120.382 118.700 -0.743 0.000 2.322 342 N HA 0.120 4.860 4.740 -0.000 0.000 0.194 342 N C 0.924 176.048 175.510 -0.644 0.000 1.126 342 N CA -0.002 52.700 53.050 -0.580 0.000 0.845 342 N CB 0.379 38.613 38.487 -0.423 0.000 0.976 342 N HN 0.421 nan 8.380 nan 0.000 0.475 343 G N -0.510 107.708 108.800 -0.971 0.000 2.321 343 G HA2 -0.099 3.861 3.960 -0.000 0.000 0.237 343 G HA3 -0.099 3.861 3.960 -0.000 0.000 0.237 343 G C 0.960 175.759 174.900 -0.169 0.000 1.282 343 G CA -0.125 44.769 45.100 -0.344 0.000 0.886 343 G HN 0.110 nan 8.290 nan 0.000 0.528 344 T N 2.625 117.123 114.554 -0.093 0.000 2.665 344 T HA -0.175 4.174 4.350 -0.000 0.000 0.268 344 T C 2.521 177.127 174.700 -0.157 0.000 1.035 344 T CA 1.410 63.452 62.100 -0.096 0.000 1.151 344 T CB -0.216 68.662 68.868 0.017 0.000 0.862 344 T HN 0.352 nan 8.240 nan 0.000 0.438 345 L N 0.527 121.719 121.223 -0.052 0.000 2.056 345 L HA -0.099 4.241 4.340 -0.000 0.000 0.207 345 L C 2.947 179.734 176.870 -0.139 0.000 1.078 345 L CA 1.214 56.010 54.840 -0.074 0.000 0.749 345 L CB -1.161 40.917 42.059 0.032 0.000 0.901 345 L HN 0.280 nan 8.230 nan 0.000 0.433 346 T N -0.989 113.511 114.554 -0.090 0.000 2.759 346 T HA -0.187 4.163 4.350 -0.000 0.000 0.269 346 T C 1.923 176.521 174.700 -0.171 0.000 1.042 346 T CA 1.139 63.171 62.100 -0.113 0.000 1.140 346 T CB -0.081 68.794 68.868 0.012 0.000 0.864 346 T HN 0.297 nan 8.240 nan 0.000 0.455 347 Q N 0.392 120.075 119.800 -0.196 0.000 2.269 347 Q HA 0.111 4.451 4.340 -0.000 0.000 0.201 347 Q C 1.934 177.770 176.000 -0.273 0.000 0.946 347 Q CA 1.061 56.734 55.803 -0.216 0.000 0.877 347 Q CB 0.088 28.704 28.738 -0.204 0.000 0.963 347 Q HN 0.628 nan 8.270 nan 0.000 0.472 348 Q N -0.969 118.592 119.800 -0.398 0.000 2.288 348 Q HA 0.113 4.453 4.340 -0.000 0.000 0.256 348 Q C 1.614 177.234 176.000 -0.634 0.000 0.835 348 Q CA -0.162 55.282 55.803 -0.598 0.000 0.958 348 Q CB 0.462 28.626 28.738 -0.957 0.000 1.125 348 Q HN 0.082 nan 8.270 nan 0.000 0.513 349 L N 1.323 122.260 121.223 -0.476 0.000 2.217 349 L HA 0.030 4.370 4.340 -0.000 0.000 0.211 349 L C 0.588 177.381 176.870 -0.127 0.000 1.107 349 L CA 1.304 56.010 54.840 -0.223 0.000 0.783 349 L CB 0.122 42.142 42.059 -0.066 0.000 0.919 349 L HN 0.102 nan 8.230 nan 0.000 0.442 350 T N -2.318 112.146 114.554 -0.151 0.000 2.907 350 T HA 0.619 4.969 4.350 -0.000 0.000 0.292 350 T C -0.496 174.138 174.700 -0.109 0.000 1.043 350 T CA -0.777 61.261 62.100 -0.103 0.000 1.003 350 T CB 1.782 70.596 68.868 -0.091 0.000 1.084 350 T HN 0.018 nan 8.240 nan 0.000 0.483 351 L N 1.440 122.619 121.223 -0.074 0.000 2.322 351 L HA 0.573 4.913 4.340 -0.000 0.000 0.269 351 L C 1.024 177.866 176.870 -0.047 0.000 1.012 351 L CA -1.107 53.694 54.840 -0.065 0.000 0.815 351 L CB 1.207 43.239 42.059 -0.046 0.000 1.295 351 L HN 1.074 nan 8.230 nan 0.000 0.438 352 N N 1.014 119.688 118.700 -0.044 0.000 2.740 352 N HA -0.151 4.589 4.740 -0.000 0.000 0.248 352 N C -0.458 175.042 175.510 -0.018 0.000 1.062 352 N CA -0.106 52.930 53.050 -0.024 0.000 0.704 352 N CB -0.106 38.375 38.487 -0.010 0.000 0.968 352 N HN 0.621 nan 8.380 nan 0.000 0.547 353 E N 1.084 121.259 120.200 -0.042 0.000 2.415 353 E HA 0.099 4.449 4.350 -0.000 0.000 0.263 353 E C -1.948 174.666 176.600 0.022 0.000 0.995 353 E CA -0.879 55.499 56.400 -0.036 0.000 0.915 353 E CB 0.269 29.883 29.700 -0.143 0.000 0.951 353 E HN 0.317 nan 8.360 nan 0.000 0.449 354 P HA -0.033 nan 4.420 nan 0.000 0.262 354 P C -0.003 177.404 177.300 0.179 0.000 1.182 354 P CA 0.076 63.230 63.100 0.091 0.000 0.761 354 P CB 0.380 32.126 31.700 0.076 0.000 0.795 355 K N 3.409 123.871 120.400 0.103 0.000 2.319 355 K HA 0.172 4.492 4.320 -0.000 0.000 0.265 355 K C -0.181 176.412 176.600 -0.011 0.000 1.000 355 K CA 0.025 56.353 56.287 0.070 0.000 0.943 355 K CB -0.123 32.380 32.500 0.005 0.000 0.950 355 K HN 0.337 nan 8.250 nan 0.000 0.485 356 I N 5.566 126.028 120.570 -0.181 0.000 2.337 356 I HA 0.204 4.373 4.170 -0.000 0.000 0.291 356 I C -0.168 175.875 176.117 -0.123 0.000 1.046 356 I CA -0.162 61.013 61.300 -0.208 0.000 1.324 356 I CB 0.242 37.974 38.000 -0.446 0.000 1.409 356 I HN 0.379 nan 8.210 nan 0.000 0.494 357 I N 6.132 126.666 120.570 -0.059 0.000 2.420 357 I HA 0.204 4.374 4.170 -0.000 0.000 0.282 357 I C -0.190 175.917 176.117 -0.018 0.000 1.019 357 I CA -0.296 60.980 61.300 -0.040 0.000 1.130 357 I CB 1.228 39.210 38.000 -0.029 0.000 1.262 357 I HN 0.575 nan 8.210 nan 0.000 0.454 358 D N 5.138 125.529 120.400 -0.014 0.000 2.800 358 D HA -0.184 4.456 4.640 -0.000 0.000 0.232 358 D C 1.170 177.489 176.300 0.032 0.000 1.137 358 D CA 1.722 55.726 54.000 0.006 0.000 0.718 358 D CB -0.698 40.104 40.800 0.003 0.000 1.084 358 D HN 1.109 nan 8.370 nan 0.000 0.432 359 G N -2.185 106.646 108.800 0.051 0.000 2.184 359 G HA2 -0.046 3.914 3.960 -0.000 0.000 0.264 359 G HA3 -0.046 3.914 3.960 -0.000 0.000 0.264 359 G C 0.440 175.425 174.900 0.141 0.000 0.975 359 G CA 0.799 45.985 45.100 0.143 0.000 0.642 359 G HN 1.365 nan 8.290 nan 0.000 0.536 360 A N -0.072 122.784 122.820 0.060 0.000 2.325 360 A HA 0.883 5.203 4.320 -0.000 0.000 0.333 360 A C 0.101 177.681 177.584 -0.007 0.000 1.155 360 A CA -0.304 51.743 52.037 0.017 0.000 0.814 360 A CB 0.930 19.924 19.000 -0.009 0.000 1.206 360 A HN 1.571 nan 8.150 nan 0.000 0.482 361 I N -1.158 119.379 120.570 -0.055 0.000 2.498 361 I HA 0.573 4.743 4.170 -0.000 0.000 0.290 361 I C -0.602 175.467 176.117 -0.079 0.000 1.032 361 I CA -0.761 60.496 61.300 -0.072 0.000 1.073 361 I CB 1.909 39.822 38.000 -0.144 0.000 1.251 361 I HN 0.396 nan 8.210 nan 0.000 0.426 362 E N 4.831 125.001 120.200 -0.050 0.000 2.360 362 E HA 0.253 4.603 4.350 -0.000 0.000 0.269 362 E C -0.660 175.900 176.600 -0.066 0.000 1.022 362 E CA -0.305 56.062 56.400 -0.055 0.000 0.887 362 E CB 2.220 31.902 29.700 -0.029 0.000 0.990 362 E HN 0.497 nan 8.360 nan 0.000 0.426 363 V N 3.261 123.109 119.914 -0.109 0.000 2.333 363 V HA 0.122 4.241 4.120 -0.000 0.000 0.274 363 V C 0.574 176.632 176.094 -0.060 0.000 1.028 363 V CA -0.655 61.554 62.300 -0.152 0.000 0.851 363 V CB 1.022 32.661 31.823 -0.307 0.000 1.000 363 V HN 0.672 nan 8.190 nan 0.000 0.456 364 S N 2.496 118.210 115.700 0.024 0.000 2.617 364 S HA 0.232 4.701 4.470 -0.000 0.000 0.269 364 S C 0.486 175.209 174.600 0.206 0.000 1.292 364 S CA -0.423 57.835 58.200 0.097 0.000 1.010 364 S CB 1.100 64.354 63.200 0.089 0.000 0.944 364 S HN 0.829 nan 8.310 nan 0.000 0.536 365 D N -0.253 120.255 120.400 0.180 0.000 2.395 365 D HA 0.117 4.757 4.640 -0.000 0.000 0.226 365 D C -0.018 176.343 176.300 0.102 0.000 1.146 365 D CA -0.320 53.787 54.000 0.179 0.000 0.830 365 D CB -0.240 40.653 40.800 0.155 0.000 0.958 365 D HN 0.430 nan 8.370 nan 0.000 0.501 366 K N 1.175 121.642 120.400 0.111 0.000 2.355 366 K HA 0.204 4.524 4.320 -0.000 0.000 0.270 366 K C -2.388 174.250 176.600 0.063 0.000 1.003 366 K CA -1.308 55.024 56.287 0.075 0.000 0.957 366 K CB 0.545 33.090 32.500 0.076 0.000 0.939 366 K HN 0.024 nan 8.250 nan 0.000 0.482 367 P HA 0.033 nan 4.420 nan 0.000 0.274 367 P C 0.278 177.564 177.300 -0.024 0.000 1.231 367 P CA 0.197 63.292 63.100 -0.009 0.000 0.790 367 P CB 0.864 32.553 31.700 -0.017 0.000 0.951 368 G N 1.251 110.021 108.800 -0.050 0.000 2.583 368 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.292 368 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.292 368 G C 0.679 175.449 174.900 -0.216 0.000 1.203 368 G CA 0.291 45.344 45.100 -0.078 0.000 0.987 368 G HN 0.490 nan 8.290 nan 0.000 0.554 369 L N 2.082 123.202 121.223 -0.172 0.000 2.509 369 L HA 0.384 4.724 4.340 -0.000 0.000 0.222 369 L C 2.236 179.117 176.870 0.019 0.000 1.123 369 L CA 0.890 55.588 54.840 -0.238 0.000 0.856 369 L CB -0.333 41.666 42.059 -0.098 0.000 0.985 369 L HN 1.984 nan 8.230 nan 0.000 0.456 370 G N 1.502 110.325 108.800 0.040 0.000 2.246 370 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.273 370 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.273 370 G C 0.109 175.053 174.900 0.073 0.000 1.055 370 G CA -0.128 45.025 45.100 0.088 0.000 0.851 370 G HN 0.291 nan 8.290 nan 0.000 0.500 371 I N -0.072 120.529 120.570 0.051 0.000 2.496 371 I HA 0.290 4.460 4.170 -0.000 0.000 0.285 371 I C 0.694 176.835 176.117 0.039 0.000 1.080 371 I CA -0.061 61.265 61.300 0.043 0.000 1.404 371 I CB 1.250 39.278 38.000 0.046 0.000 1.403 371 I HN 0.171 nan 8.210 nan 0.000 0.539 372 E N 6.061 126.274 120.200 0.022 0.000 2.267 372 E HA 0.286 4.636 4.350 -0.000 0.000 0.241 372 E C -1.034 175.563 176.600 -0.004 0.000 0.950 372 E CA -0.692 55.717 56.400 0.014 0.000 0.776 372 E CB 0.714 30.417 29.700 0.006 0.000 1.207 372 E HN 0.345 nan 8.360 nan 0.000 0.436 373 L N 3.574 124.799 121.223 0.003 0.000 2.380 373 L HA 0.278 4.617 4.340 -0.000 0.000 0.273 373 L C -0.045 176.787 176.870 -0.063 0.000 1.138 373 L CA -0.042 54.773 54.840 -0.041 0.000 0.832 373 L CB 0.813 42.830 42.059 -0.070 0.000 1.124 373 L HN 0.348 nan 8.230 nan 0.000 0.454 374 N N 4.874 123.536 118.700 -0.063 0.000 2.807 374 N HA 0.076 4.816 4.740 -0.000 0.000 0.259 374 N C 1.041 176.523 175.510 -0.046 0.000 1.149 374 N CA 0.240 53.270 53.050 -0.033 0.000 1.042 374 N CB -0.076 38.400 38.487 -0.018 0.000 1.367 374 N HN 0.741 nan 8.380 nan 0.000 0.516 375 I N 0.803 121.302 120.570 -0.120 0.000 2.454 375 I HA -0.211 3.959 4.170 -0.000 0.000 0.254 375 I C 1.966 178.018 176.117 -0.109 0.000 1.156 375 I CA 0.851 62.013 61.300 -0.230 0.000 1.433 375 I CB 0.164 38.048 38.000 -0.194 0.000 1.082 375 I HN 0.442 nan 8.210 nan 0.000 0.432 376 E N 0.302 120.490 120.200 -0.021 0.000 2.072 376 E HA -0.206 4.144 4.350 -0.000 0.000 0.190 376 E C 2.047 178.666 176.600 0.030 0.000 0.982 376 E CA 1.069 57.475 56.400 0.010 0.000 0.803 376 E CB -0.241 29.476 29.700 0.028 0.000 0.755 376 E HN 0.405 nan 8.360 nan 0.000 0.453 377 F N 1.768 121.676 119.950 -0.070 0.000 2.091 377 F HA -0.256 4.271 4.527 -0.000 0.000 0.299 377 F C 2.231 177.992 175.800 -0.064 0.000 1.103 377 F CA 1.211 59.174 58.000 -0.062 0.000 1.228 377 F CB -0.363 38.596 39.000 -0.067 0.000 0.984 377 F HN -0.213 nan 8.300 nan 0.000 0.477 378 V N 0.493 120.348 119.914 -0.099 0.000 2.295 378 V HA -0.308 3.812 4.120 -0.000 0.000 0.246 378 V C 2.241 178.236 176.094 -0.165 0.000 1.049 378 V CA 2.365 64.555 62.300 -0.182 0.000 1.024 378 V CB -0.799 30.915 31.823 -0.181 0.000 0.648 378 V HN 0.359 nan 8.190 nan 0.000 0.447 379 E N -0.467 119.671 120.200 -0.103 0.000 2.153 379 E HA -0.239 4.110 4.350 -0.000 0.000 0.194 379 E C 2.354 178.902 176.600 -0.086 0.000 0.988 379 E CA 1.065 57.436 56.400 -0.048 0.000 0.811 379 E CB -0.141 29.558 29.700 -0.002 0.000 0.746 379 E HN 0.655 nan 8.360 nan 0.000 0.466 380 Q N 0.184 119.898 119.800 -0.142 0.000 2.020 380 Q HA -0.154 4.186 4.340 -0.000 0.000 0.202 380 Q C 2.646 178.530 176.000 -0.194 0.000 0.982 380 Q CA 2.094 57.804 55.803 -0.156 0.000 0.838 380 Q CB -0.168 28.458 28.738 -0.186 0.000 0.899 380 Q HN 0.359 nan 8.270 nan 0.000 0.423 381 V N -1.517 118.202 119.914 -0.325 0.000 2.488 381 V HA -0.129 3.990 4.120 -0.000 0.000 0.246 381 V C 2.353 178.354 176.094 -0.156 0.000 1.046 381 V CA 1.862 63.986 62.300 -0.293 0.000 1.053 381 V CB -1.305 30.231 31.823 -0.479 0.000 0.679 381 V HN 0.421 nan 8.190 nan 0.000 0.458 382 T N -2.265 112.214 114.554 -0.124 0.000 2.812 382 T HA 0.275 4.625 4.350 -0.000 0.000 0.264 382 T C 1.955 176.635 174.700 -0.033 0.000 1.042 382 T CA 1.757 63.826 62.100 -0.050 0.000 1.140 382 T CB -0.253 68.609 68.868 -0.010 0.000 0.870 382 T HN 1.649 nan 8.240 nan 0.000 0.445 383 G N 0.267 109.043 108.800 -0.039 0.000 2.194 383 G HA2 -0.053 3.907 3.960 -0.000 0.000 0.236 383 G HA3 -0.053 3.907 3.960 -0.000 0.000 0.236 383 G C 0.087 174.983 174.900 -0.006 0.000 0.987 383 G CA 0.671 45.757 45.100 -0.024 0.000 0.635 383 G HN 1.274 nan 8.290 nan 0.000 0.520 384 H N 0.915 119.988 119.070 0.005 0.000 2.670 384 H HA 0.840 5.396 4.556 -0.000 0.000 0.361 384 H C 0.584 175.935 175.328 0.039 0.000 1.169 384 H CA -0.042 56.016 56.048 0.017 0.000 1.198 384 H CB 0.999 30.770 29.762 0.016 0.000 1.700 384 H HN 0.542 nan 8.280 nan 0.000 0.542 385 K N 0.966 121.389 120.400 0.038 0.000 2.219 385 K HA 0.348 4.668 4.320 -0.000 0.000 0.258 385 K C -0.952 175.709 176.600 0.102 0.000 1.008 385 K CA -0.189 56.137 56.287 0.066 0.000 0.928 385 K CB 1.050 33.576 32.500 0.042 0.000 0.983 385 K HN 0.546 nan 8.250 nan 0.000 0.484 386 F N 0.000 119.927 119.950 -0.038 0.000 2.286 386 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 386 F CA 0.000 57.960 58.000 -0.067 0.000 1.383 386 F CB 0.000 38.957 39.000 -0.072 0.000 1.145 386 F HN 0.000 nan 8.300 nan 0.000 0.574