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 1isz_1_A DATA FIRST_RESID 1 DATA SEQUENCE AESTLGAAAA QSGRYFGTAI ASGKLGDSAY TTIASREFNM VTAENEMKID DATA SEQUENCE ATEPQRGQFN FSAGDRVYNW AVQNGKQVRG HTLAWHSQQP GWMQSLSGST DATA SEQUENCE LRQAMIDHIN GVMGHYKGKI AQWDVVNEAF SDDGSGGRRD SNLQRTGNDW DATA SEQUENCE IEVAFRTARA ADPAAKLcYN DYNIENWTWA KTQGVYNMVR DFKQRGVPID DATA SEQUENCE cVGFQSHFNS GSPYNSNFRT TLQNFAALGV DVAITELDIQ GASSSTYAAV DATA SEQUENCE TNDcLAVSRc LGITVWGVRD TDSWRSGDTP LLFNGDGSKK AAYTAVLNAL DATA SEQUENCE NGGXXXXXXX XXGQIKGVGS GRcLDVPNAS TTDGTQVQLY DcHSATNQQW DATA SEQUENCE TYTDAGELRV YGDKcLDAAG TGNGTKVQIY ScWGGDNQKW RLNSDGSIVG DATA SEQUENCE VQSGLcLDAV GGGTANGTLI QLYScSNGSN QRWTRT 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 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.579 177.584 -0.009 0.000 1.274 1 A CA 0.000 52.034 52.037 -0.005 0.000 0.836 1 A CB 0.000 18.996 19.000 -0.006 0.000 0.831 2 E N -1.248 118.944 120.200 -0.013 0.000 2.749 2 E HA 0.283 4.634 4.350 0.001 0.000 0.157 2 E C 0.027 176.614 176.600 -0.021 0.000 0.887 2 E CA 0.678 57.065 56.400 -0.021 0.000 1.369 2 E CB -0.293 29.395 29.700 -0.019 0.000 1.005 2 E HN 0.259 nan 8.360 nan 0.000 0.469 3 S N -0.019 115.675 115.700 -0.010 0.000 2.511 3 S HA 0.154 4.624 4.470 0.001 0.000 0.214 3 S C 0.645 175.263 174.600 0.029 0.000 0.997 3 S CA 0.615 58.821 58.200 0.010 0.000 0.908 3 S CB 0.407 63.614 63.200 0.011 0.000 0.803 3 S HN 0.576 nan 8.310 nan 0.000 0.504 4 T N -1.222 113.329 114.554 -0.005 0.000 2.916 4 T HA 0.612 4.963 4.350 0.001 0.000 0.292 4 T C 1.003 175.638 174.700 -0.110 0.000 1.055 4 T CA -0.809 61.283 62.100 -0.013 0.000 1.009 4 T CB 1.101 69.952 68.868 -0.028 0.000 1.118 4 T HN -0.072 nan 8.240 nan 0.000 0.497 5 L N 1.293 122.384 121.223 -0.221 0.000 2.012 5 L HA 0.057 4.397 4.340 0.001 0.000 0.210 5 L C 3.005 179.797 176.870 -0.131 0.000 1.073 5 L CA 1.924 56.526 54.840 -0.398 0.000 0.748 5 L CB -1.136 40.456 42.059 -0.778 0.000 0.891 5 L HN 0.983 nan 8.230 nan 0.000 0.431 6 G N -0.366 108.425 108.800 -0.015 0.000 2.446 6 G HA2 -0.266 3.694 3.960 0.001 0.000 0.217 6 G HA3 -0.266 3.694 3.960 0.001 0.000 0.217 6 G C 1.767 176.717 174.900 0.083 0.000 1.168 6 G CA 0.914 46.094 45.100 0.133 0.000 0.771 6 G HN 0.478 nan 8.290 nan 0.000 0.551 7 A N 1.040 123.874 122.820 0.024 0.000 1.933 7 A HA 0.294 4.615 4.320 0.001 0.000 0.218 7 A C 2.799 180.389 177.584 0.011 0.000 1.175 7 A CA 2.224 54.271 52.037 0.017 0.000 0.628 7 A CB -0.720 18.279 19.000 -0.001 0.000 0.814 7 A HN 0.808 nan 8.150 nan 0.000 0.444 8 A N -0.255 122.556 122.820 -0.016 0.000 1.930 8 A HA 0.213 4.533 4.320 0.001 0.000 0.217 8 A C 2.447 180.036 177.584 0.008 0.000 1.175 8 A CA 1.887 53.908 52.037 -0.026 0.000 0.627 8 A CB -0.838 18.113 19.000 -0.082 0.000 0.815 8 A HN 0.992 nan 8.150 nan 0.000 0.443 9 A N -0.214 122.635 122.820 0.048 0.000 1.929 9 A HA 0.266 4.587 4.320 0.001 0.000 0.216 9 A C 2.410 180.039 177.584 0.075 0.000 1.176 9 A CA 1.636 53.730 52.037 0.094 0.000 0.628 9 A CB -0.850 18.272 19.000 0.204 0.000 0.816 9 A HN 1.022 nan 8.150 nan 0.000 0.444 10 A N -0.597 122.271 122.820 0.079 0.000 2.070 10 A HA -0.184 4.136 4.320 0.001 0.000 0.220 10 A C 2.003 179.612 177.584 0.043 0.000 1.159 10 A CA 1.495 53.574 52.037 0.069 0.000 0.656 10 A CB -0.507 18.533 19.000 0.066 0.000 0.800 10 A HN 0.666 nan 8.150 nan 0.000 0.453 11 Q N 0.023 119.840 119.800 0.029 0.000 2.181 11 Q HA -0.132 4.208 4.340 0.001 0.000 0.205 11 Q C 1.820 177.830 176.000 0.016 0.000 0.980 11 Q CA 1.693 57.506 55.803 0.017 0.000 0.862 11 Q CB -0.162 28.580 28.738 0.008 0.000 0.905 11 Q HN 0.806 nan 8.270 nan 0.000 0.429 12 S N -1.886 113.826 115.700 0.019 0.000 2.582 12 S HA 0.361 4.832 4.470 0.001 0.000 0.234 12 S C 1.077 175.688 174.600 0.019 0.000 0.961 12 S CA 0.095 58.303 58.200 0.013 0.000 0.953 12 S CB 0.903 64.106 63.200 0.006 0.000 0.800 12 S HN 0.467 nan 8.310 nan 0.000 0.471 13 G N 1.373 110.191 108.800 0.031 0.000 2.148 13 G HA2 -0.261 3.700 3.960 0.001 0.000 0.254 13 G HA3 -0.261 3.700 3.960 0.001 0.000 0.254 13 G C 0.156 175.089 174.900 0.055 0.000 0.981 13 G CA 0.131 45.257 45.100 0.043 0.000 0.670 13 G HN 0.609 nan 8.290 nan 0.000 0.528 14 R N -1.023 119.503 120.500 0.043 0.000 2.705 14 R HA 0.728 5.068 4.340 0.001 0.000 0.246 14 R C 0.088 176.447 176.300 0.098 0.000 1.142 14 R CA -0.465 55.640 56.100 0.009 0.000 1.114 14 R CB 0.718 30.978 30.300 -0.068 0.000 1.256 14 R HN 0.510 nan 8.270 nan 0.000 0.536 15 Y N -1.682 118.671 120.300 0.089 0.000 2.602 15 Y HA 0.678 5.228 4.550 0.001 0.000 0.342 15 Y C -1.337 174.664 175.900 0.169 0.000 1.029 15 Y CA -1.745 56.428 58.100 0.120 0.000 1.080 15 Y CB 1.184 39.692 38.460 0.081 0.000 1.284 15 Y HN 0.418 nan 8.280 nan 0.000 0.485 16 F N 1.542 121.726 119.950 0.390 0.000 2.612 16 F HA 0.784 5.312 4.527 0.001 0.000 0.332 16 F C -0.071 176.058 175.800 0.549 0.000 1.167 16 F CA -0.706 57.517 58.000 0.371 0.000 0.970 16 F CB 1.528 40.669 39.000 0.235 0.000 1.234 16 F HN 0.961 nan 8.300 nan 0.000 0.453 17 G N 1.969 111.010 108.800 0.400 0.000 3.108 17 G HA2 0.645 4.605 3.960 0.001 0.000 0.268 17 G HA3 0.645 4.605 3.960 0.001 0.000 0.268 17 G C -1.350 173.476 174.900 -0.125 0.000 1.361 17 G CA -0.703 44.560 45.100 0.270 0.000 1.047 17 G HN 0.625 nan 8.290 nan 0.000 0.540 18 T N -2.064 112.252 114.554 -0.397 0.000 2.787 18 T HA 0.631 4.981 4.350 0.001 0.000 0.297 18 T C -1.046 173.420 174.700 -0.389 0.000 1.221 18 T CA 0.224 61.983 62.100 -0.567 0.000 1.006 18 T CB 1.337 69.450 68.868 -1.259 0.000 1.328 18 T HN 1.287 nan 8.240 nan 0.000 0.509 19 A N 2.668 125.201 122.820 -0.477 0.000 2.290 19 A HA 0.712 5.033 4.320 0.001 0.000 0.310 19 A C -0.474 176.839 177.584 -0.451 0.000 1.202 19 A CA -0.559 51.080 52.037 -0.663 0.000 0.837 19 A CB 0.066 18.151 19.000 -1.525 0.000 1.139 19 A HN 0.647 nan 8.150 nan 0.000 0.509 20 I N 1.757 122.136 120.570 -0.318 0.000 2.441 20 I HA 0.515 4.686 4.170 0.001 0.000 0.295 20 I C 0.478 176.499 176.117 -0.161 0.000 0.994 20 I CA -0.315 60.876 61.300 -0.181 0.000 1.144 20 I CB 1.434 39.324 38.000 -0.184 0.000 1.314 20 I HN 0.708 nan 8.210 nan 0.000 0.445 21 A N 4.050 126.799 122.820 -0.119 0.000 2.271 21 A HA 0.468 4.788 4.320 0.001 0.000 0.317 21 A C 0.989 178.462 177.584 -0.184 0.000 1.245 21 A CA -0.283 51.655 52.037 -0.165 0.000 0.857 21 A CB 0.748 19.622 19.000 -0.209 0.000 1.175 21 A HN 0.825 nan 8.150 nan 0.000 0.512 22 S N 2.481 118.108 115.700 -0.122 0.000 2.400 22 S HA -0.134 4.337 4.470 0.001 0.000 0.232 22 S C 1.770 176.286 174.600 -0.139 0.000 1.025 22 S CA 1.589 59.723 58.200 -0.110 0.000 0.993 22 S CB -0.593 62.589 63.200 -0.030 0.000 0.808 22 S HN 1.227 nan 8.310 nan 0.000 0.478 23 G N 1.455 110.168 108.800 -0.146 0.000 2.498 23 G HA2 -0.078 3.883 3.960 0.001 0.000 0.219 23 G HA3 -0.078 3.883 3.960 0.001 0.000 0.219 23 G C 1.381 176.145 174.900 -0.227 0.000 1.119 23 G CA 0.470 45.480 45.100 -0.150 0.000 0.766 23 G HN 0.626 nan 8.290 nan 0.000 0.552 24 K N -0.324 119.852 120.400 -0.374 0.000 2.358 24 K HA 0.350 4.671 4.320 0.001 0.000 0.197 24 K C 1.722 178.090 176.600 -0.386 0.000 1.025 24 K CA -0.335 55.613 56.287 -0.565 0.000 1.104 24 K CB 0.289 32.014 32.500 -1.292 0.000 0.855 24 K HN 0.210 nan 8.250 nan 0.000 0.531 25 L N 0.275 121.345 121.223 -0.255 0.000 2.549 25 L HA -0.062 4.279 4.340 0.001 0.000 0.229 25 L C 1.922 178.744 176.870 -0.080 0.000 1.158 25 L CA 0.853 55.576 54.840 -0.195 0.000 0.842 25 L CB -0.251 41.650 42.059 -0.264 0.000 0.952 25 L HN 0.314 nan 8.230 nan 0.000 0.452 26 G N -1.743 107.009 108.800 -0.080 0.000 2.838 26 G HA2 -0.126 3.835 3.960 0.001 0.000 0.210 26 G HA3 -0.126 3.835 3.960 0.001 0.000 0.210 26 G C 0.366 175.254 174.900 -0.019 0.000 1.153 26 G CA -0.194 44.886 45.100 -0.033 0.000 0.778 26 G HN 0.178 nan 8.290 nan 0.000 0.539 27 D N 1.169 121.548 120.400 -0.035 0.000 2.352 27 D HA 0.149 4.790 4.640 0.001 0.000 0.245 27 D C 1.904 178.241 176.300 0.062 0.000 1.224 27 D CA 0.183 54.182 54.000 -0.002 0.000 0.879 27 D CB 1.311 42.087 40.800 -0.040 0.000 1.057 27 D HN 0.127 nan 8.370 nan 0.000 0.491 28 S N 3.247 118.977 115.700 0.049 0.000 2.399 28 S HA -0.182 4.289 4.470 0.001 0.000 0.231 28 S C 1.948 176.582 174.600 0.056 0.000 1.022 28 S CA 0.907 59.143 58.200 0.059 0.000 0.983 28 S CB -0.151 63.073 63.200 0.040 0.000 0.803 28 S HN 0.453 nan 8.310 nan 0.000 0.480 29 A N 0.520 123.370 122.820 0.050 0.000 1.930 29 A HA 0.027 4.348 4.320 0.001 0.000 0.217 29 A C 2.025 179.633 177.584 0.040 0.000 1.175 29 A CA 1.357 53.413 52.037 0.031 0.000 0.627 29 A CB -1.137 17.880 19.000 0.028 0.000 0.815 29 A HN 0.667 nan 8.150 nan 0.000 0.443 30 Y N 1.768 122.029 120.300 -0.065 0.000 2.133 30 Y HA -0.221 4.330 4.550 0.001 0.000 0.287 30 Y C 2.941 178.798 175.900 -0.070 0.000 1.134 30 Y CA 2.653 60.699 58.100 -0.090 0.000 1.133 30 Y CB -0.685 37.707 38.460 -0.113 0.000 0.987 30 Y HN 0.431 nan 8.280 nan 0.000 0.502 31 T N -3.565 111.028 114.554 0.066 0.000 2.867 31 T HA -0.155 4.196 4.350 0.001 0.000 0.268 31 T C 1.820 176.587 174.700 0.112 0.000 1.057 31 T CA 1.716 63.866 62.100 0.083 0.000 1.136 31 T CB -1.073 67.927 68.868 0.220 0.000 0.874 31 T HN 0.335 nan 8.240 nan 0.000 0.466 32 T N 2.142 116.721 114.554 0.042 0.000 2.720 32 T HA 0.060 4.411 4.350 0.001 0.000 0.268 32 T C 1.881 176.549 174.700 -0.052 0.000 1.037 32 T CA 1.458 63.563 62.100 0.008 0.000 1.144 32 T CB -0.430 68.429 68.868 -0.015 0.000 0.864 32 T HN 0.424 nan 8.240 nan 0.000 0.444 33 I N 1.034 121.516 120.570 -0.147 0.000 2.233 33 I HA -0.097 4.073 4.170 0.001 0.000 0.243 33 I C 2.930 178.961 176.117 -0.144 0.000 1.093 33 I CA 0.981 62.112 61.300 -0.283 0.000 1.380 33 I CB -0.492 37.170 38.000 -0.563 0.000 1.067 33 I HN 0.171 nan 8.210 nan 0.000 0.413 34 A N 0.959 123.740 122.820 -0.065 0.000 1.908 34 A HA -0.239 4.081 4.320 0.001 0.000 0.218 34 A C 2.503 180.322 177.584 0.392 0.000 1.181 34 A CA 2.407 54.572 52.037 0.214 0.000 0.627 34 A CB -0.904 18.031 19.000 -0.109 0.000 0.818 34 A HN 0.533 nan 8.150 nan 0.000 0.445 35 S N -0.644 115.249 115.700 0.322 0.000 2.406 35 S HA -0.136 4.334 4.470 0.001 0.000 0.228 35 S C 2.023 176.641 174.600 0.030 0.000 1.020 35 S CA 1.129 59.407 58.200 0.132 0.000 0.965 35 S CB -0.354 62.870 63.200 0.041 0.000 0.798 35 S HN 0.637 nan 8.310 nan 0.000 0.488 36 R N 1.033 121.538 120.500 0.008 0.000 2.062 36 R HA 0.061 4.401 4.340 0.001 0.000 0.226 36 R C 1.798 178.048 176.300 -0.085 0.000 1.125 36 R CA 1.266 57.341 56.100 -0.043 0.000 0.966 36 R CB -0.063 30.203 30.300 -0.058 0.000 0.861 36 R HN 0.361 nan 8.270 nan 0.000 0.433 37 E N -0.393 119.689 120.200 -0.197 0.000 2.318 37 E HA 0.019 4.370 4.350 0.001 0.000 0.193 37 E C -0.264 176.004 176.600 -0.552 0.000 0.998 37 E CA 0.488 56.624 56.400 -0.440 0.000 0.859 37 E CB 0.292 29.561 29.700 -0.718 0.000 0.812 37 E HN 0.142 nan 8.360 nan 0.000 0.492 38 F N 1.348 121.386 119.950 0.146 0.000 2.522 38 F HA 0.254 4.781 4.527 0.001 0.000 0.324 38 F C 0.881 176.754 175.800 0.121 0.000 1.077 38 F CA -1.186 56.928 58.000 0.190 0.000 0.944 38 F CB 0.958 40.080 39.000 0.203 0.000 1.175 38 F HN -0.194 nan 8.300 nan 0.000 0.468 39 N N 0.824 119.719 118.700 0.325 0.000 2.291 39 N HA 0.360 5.101 4.740 0.001 0.000 0.244 39 N C -0.784 174.788 175.510 0.103 0.000 1.216 39 N CA -0.121 53.030 53.050 0.168 0.000 0.879 39 N CB 0.828 39.398 38.487 0.138 0.000 1.167 39 N HN 0.593 nan 8.380 nan 0.000 0.515 40 M N 0.306 119.979 119.600 0.121 0.000 2.371 40 M HA 0.563 5.043 4.480 0.001 0.000 0.287 40 M C -2.262 174.020 176.300 -0.030 0.000 1.149 40 M CA -0.724 54.533 55.300 -0.072 0.000 0.929 40 M CB 2.356 34.770 32.600 -0.310 0.000 1.683 40 M HN -0.157 nan 8.290 nan 0.000 0.470 41 V N 2.950 122.816 119.914 -0.081 0.000 2.709 41 V HA 0.799 4.919 4.120 0.001 0.000 0.308 41 V C -0.757 175.274 176.094 -0.105 0.000 1.062 41 V CA -0.519 61.745 62.300 -0.060 0.000 0.901 41 V CB 2.560 34.408 31.823 0.041 0.000 1.003 41 V HN 0.895 nan 8.190 nan 0.000 0.425 42 T N 3.389 117.869 114.554 -0.123 0.000 2.824 42 T HA 0.645 4.996 4.350 0.001 0.000 0.282 42 T C -0.009 174.608 174.700 -0.138 0.000 0.993 42 T CA -0.278 61.756 62.100 -0.110 0.000 0.967 42 T CB 1.650 70.498 68.868 -0.033 0.000 0.960 42 T HN 0.953 nan 8.240 nan 0.000 0.441 43 A N 2.120 124.899 122.820 -0.068 0.000 2.454 43 A HA 0.268 4.589 4.320 0.001 0.000 0.260 43 A C 1.386 178.947 177.584 -0.038 0.000 1.106 43 A CA -0.316 51.695 52.037 -0.042 0.000 0.780 43 A CB -0.014 19.003 19.000 0.029 0.000 1.044 43 A HN 1.066 nan 8.150 nan 0.000 0.498 44 E N 2.228 122.330 120.200 -0.163 0.000 2.077 44 E HA -0.181 4.169 4.350 0.001 0.000 0.193 44 E C 0.771 177.431 176.600 0.101 0.000 0.989 44 E CA 1.830 58.108 56.400 -0.203 0.000 0.800 44 E CB 0.064 29.557 29.700 -0.345 0.000 0.746 44 E HN 0.806 nan 8.360 nan 0.000 0.452 45 N N -1.214 117.543 118.700 0.095 0.000 2.200 45 N HA -0.018 4.723 4.740 0.001 0.000 0.233 45 N C 0.969 176.572 175.510 0.156 0.000 1.236 45 N CA 0.224 53.368 53.050 0.157 0.000 0.845 45 N CB 0.276 38.831 38.487 0.113 0.000 1.257 45 N HN -0.015 nan 8.380 nan 0.000 0.472 46 E N 1.002 121.277 120.200 0.125 0.000 2.273 46 E HA -0.004 4.347 4.350 0.001 0.000 0.198 46 E C 1.146 177.877 176.600 0.217 0.000 1.002 46 E CA 1.072 57.562 56.400 0.151 0.000 0.828 46 E CB -0.088 29.691 29.700 0.132 0.000 0.747 46 E HN 0.367 nan 8.360 nan 0.000 0.491 47 M N -0.179 119.558 119.600 0.229 0.000 2.404 47 M HA 0.137 4.617 4.480 0.001 0.000 0.271 47 M C -0.028 176.471 176.300 0.333 0.000 1.128 47 M CA -0.095 55.391 55.300 0.309 0.000 0.982 47 M CB 0.566 33.312 32.600 0.244 0.000 1.445 47 M HN -0.153 nan 8.290 nan 0.000 0.495 48 K N 0.479 121.038 120.400 0.265 0.000 2.132 48 K HA 0.237 4.557 4.320 0.001 0.000 0.240 48 K C 1.097 177.859 176.600 0.269 0.000 1.036 48 K CA -0.224 56.212 56.287 0.249 0.000 0.888 48 K CB 1.136 33.777 32.500 0.235 0.000 1.071 48 K HN 0.078 nan 8.250 nan 0.000 0.502 49 I N 1.254 121.936 120.570 0.187 0.000 2.179 49 I HA -0.309 3.862 4.170 0.001 0.000 0.242 49 I C 2.012 178.154 176.117 0.040 0.000 1.088 49 I CA 1.459 62.773 61.300 0.022 0.000 1.357 49 I CB -0.460 37.377 38.000 -0.272 0.000 1.051 49 I HN 0.741 nan 8.210 nan 0.000 0.409 50 D N 1.634 122.034 120.400 0.000 0.000 2.219 50 D HA -0.149 4.492 4.640 0.001 0.000 0.205 50 D C 1.916 178.259 176.300 0.071 0.000 0.970 50 D CA 1.425 55.425 54.000 0.000 0.000 0.851 50 D CB -0.160 40.614 40.800 -0.044 0.000 0.943 50 D HN 0.366 nan 8.370 nan 0.000 0.488 51 A N 0.536 123.423 122.820 0.112 0.000 1.975 51 A HA 0.010 4.330 4.320 0.001 0.000 0.215 51 A C 2.270 179.928 177.584 0.123 0.000 1.170 51 A CA 1.608 53.715 52.037 0.117 0.000 0.656 51 A CB -0.538 18.547 19.000 0.141 0.000 0.821 51 A HN 0.415 nan 8.150 nan 0.000 0.449 52 T N -3.550 111.120 114.554 0.194 0.000 3.037 52 T HA 0.211 4.562 4.350 0.001 0.000 0.251 52 T C 0.593 175.376 174.700 0.138 0.000 1.079 52 T CA 0.701 62.888 62.100 0.145 0.000 1.067 52 T CB 0.159 69.234 68.868 0.345 0.000 0.948 52 T HN 0.380 nan 8.240 nan 0.000 0.496 53 E N 1.359 121.696 120.200 0.228 0.000 3.626 53 E HA 0.264 4.614 4.350 0.001 0.000 0.245 53 E C -2.355 174.388 176.600 0.239 0.000 1.236 53 E CA -1.992 54.494 56.400 0.142 0.000 1.072 53 E CB 1.417 31.312 29.700 0.326 0.000 1.309 53 E HN 0.105 nan 8.360 nan 0.000 0.400 54 P HA -0.173 nan 4.420 nan 0.000 0.216 54 P C -0.085 177.366 177.300 0.253 0.000 1.153 54 P CA 1.252 64.446 63.100 0.156 0.000 0.858 54 P CB 0.291 32.016 31.700 0.040 0.000 0.789 55 Q N -1.056 118.716 119.800 -0.047 0.000 2.353 55 Q HA 0.261 4.601 4.340 0.001 0.000 0.268 55 Q C -0.225 175.233 176.000 -0.902 0.000 1.045 55 Q CA -0.915 54.627 55.803 -0.435 0.000 0.811 55 Q CB 1.758 30.314 28.738 -0.304 0.000 1.305 55 Q HN 0.022 nan 8.270 nan 0.000 0.447 56 R N 0.109 119.498 120.500 -1.852 0.000 2.494 56 R HA 0.089 4.429 4.340 0.001 0.000 0.291 56 R C 0.956 176.736 176.300 -0.866 0.000 0.953 56 R CA 1.822 56.848 56.100 -1.790 0.000 1.098 56 R CB -0.211 29.064 30.300 -1.707 0.000 0.911 56 R HN 0.930 nan 8.270 nan 0.000 0.407 57 G N 2.868 111.226 108.800 -0.736 0.000 2.304 57 G HA2 -0.336 3.625 3.960 0.001 0.000 0.252 57 G HA3 -0.336 3.625 3.960 0.001 0.000 0.252 57 G C -0.109 174.449 174.900 -0.570 0.000 1.014 57 G CA 0.356 45.137 45.100 -0.532 0.000 0.619 57 G HN 0.626 nan 8.290 nan 0.000 0.525 58 Q N 0.398 119.847 119.800 -0.585 0.000 2.421 58 Q HA 0.586 4.926 4.340 0.001 0.000 0.242 58 Q C -0.768 174.953 176.000 -0.463 0.000 1.024 58 Q CA -0.475 55.092 55.803 -0.394 0.000 0.891 58 Q CB 0.513 29.088 28.738 -0.271 0.000 1.222 58 Q HN 0.311 nan 8.270 nan 0.000 0.483 59 F N 1.782 121.626 119.950 -0.178 0.000 2.385 59 F HA 0.288 4.815 4.527 0.001 0.000 0.336 59 F C 0.735 176.237 175.800 -0.497 0.000 1.100 59 F CA -0.614 57.160 58.000 -0.376 0.000 1.116 59 F CB 0.924 39.675 39.000 -0.415 0.000 1.166 59 F HN 0.390 nan 8.300 nan 0.000 0.511 60 N N 3.020 121.443 118.700 -0.460 0.000 2.461 60 N HA 0.247 4.988 4.740 0.001 0.000 0.284 60 N C -1.083 174.134 175.510 -0.489 0.000 1.049 60 N CA -0.296 52.546 53.050 -0.347 0.000 0.889 60 N CB 0.739 39.145 38.487 -0.136 0.000 1.365 60 N HN 0.390 nan 8.380 nan 0.000 0.499 61 F N 1.294 121.229 119.950 -0.025 0.000 2.698 61 F HA 0.266 4.794 4.527 0.001 0.000 0.304 61 F C 2.086 177.934 175.800 0.080 0.000 1.108 61 F CA -0.315 57.671 58.000 -0.024 0.000 1.263 61 F CB 0.178 38.925 39.000 -0.422 0.000 1.013 61 F HN 0.423 nan 8.300 nan 0.000 0.532 62 S N 1.050 116.857 115.700 0.178 0.000 2.351 62 S HA -0.239 4.231 4.470 0.001 0.000 0.220 62 S C 2.458 177.167 174.600 0.181 0.000 1.035 62 S CA 1.890 60.186 58.200 0.161 0.000 1.031 62 S CB -0.235 63.023 63.200 0.096 0.000 0.928 62 S HN 0.377 nan 8.310 nan 0.000 0.433 63 A N 0.582 123.500 122.820 0.164 0.000 1.929 63 A HA 0.213 4.533 4.320 0.001 0.000 0.216 63 A C 2.343 180.055 177.584 0.213 0.000 1.176 63 A CA 1.655 53.784 52.037 0.153 0.000 0.628 63 A CB -1.549 17.519 19.000 0.114 0.000 0.816 63 A HN 0.634 nan 8.150 nan 0.000 0.444 64 G N -0.012 108.970 108.800 0.303 0.000 2.421 64 G HA2 -0.245 3.715 3.960 0.001 0.000 0.216 64 G HA3 -0.245 3.715 3.960 0.001 0.000 0.216 64 G C 1.098 176.270 174.900 0.452 0.000 1.171 64 G CA 1.255 46.590 45.100 0.390 0.000 0.775 64 G HN 0.437 nan 8.290 nan 0.000 0.543 65 D N -0.263 120.441 120.400 0.506 0.000 2.178 65 D HA -0.045 4.595 4.640 0.001 0.000 0.201 65 D C 2.379 178.905 176.300 0.376 0.000 0.980 65 D CA 0.435 54.731 54.000 0.494 0.000 0.842 65 D CB -0.179 40.864 40.800 0.405 0.000 0.948 65 D HN 0.258 nan 8.370 nan 0.000 0.472 66 R N 0.286 120.954 120.500 0.280 0.000 2.081 66 R HA -0.094 4.246 4.340 0.001 0.000 0.235 66 R C 1.990 178.426 176.300 0.226 0.000 1.131 66 R CA 0.897 57.127 56.100 0.215 0.000 0.960 66 R CB -0.112 30.277 30.300 0.149 0.000 0.856 66 R HN 0.064 nan 8.270 nan 0.000 0.436 67 V N 0.025 120.066 119.914 0.212 0.000 2.379 67 V HA -0.238 3.882 4.120 0.001 0.000 0.245 67 V C 1.942 178.182 176.094 0.243 0.000 1.044 67 V CA 1.692 64.104 62.300 0.187 0.000 1.036 67 V CB -0.733 31.158 31.823 0.114 0.000 0.664 67 V HN 0.383 nan 8.190 nan 0.000 0.453 68 Y N 2.080 122.471 120.300 0.152 0.000 2.145 68 Y HA -0.229 4.321 4.550 0.001 0.000 0.286 68 Y C 2.510 178.491 175.900 0.134 0.000 1.145 68 Y CA 1.993 60.163 58.100 0.116 0.000 1.148 68 Y CB -0.393 38.164 38.460 0.161 0.000 0.981 68 Y HN 0.279 nan 8.280 nan 0.000 0.507 69 N N -0.466 118.285 118.700 0.084 0.000 2.120 69 N HA -0.236 4.504 4.740 0.001 0.000 0.188 69 N C 1.632 177.124 175.510 -0.029 0.000 1.024 69 N CA 1.626 54.663 53.050 -0.023 0.000 0.852 69 N CB -1.198 37.371 38.487 0.137 0.000 1.003 69 N HN 0.645 nan 8.380 nan 0.000 0.424 70 W N 2.143 123.405 121.300 -0.063 0.000 2.358 70 W HA -0.080 4.580 4.660 0.001 0.000 0.303 70 W C 2.361 178.823 176.519 -0.096 0.000 1.208 70 W CA 2.171 59.485 57.345 -0.052 0.000 1.274 70 W CB -0.287 29.168 29.460 -0.008 0.000 1.138 70 W HN 0.084 nan 8.180 nan 0.000 0.515 71 A N -0.074 122.799 122.820 0.088 0.000 1.845 71 A HA -0.218 4.102 4.320 0.001 0.000 0.215 71 A C 2.013 179.411 177.584 -0.310 0.000 1.195 71 A CA 2.715 54.699 52.037 -0.090 0.000 0.616 71 A CB -1.353 17.638 19.000 -0.015 0.000 0.832 71 A HN 0.170 nan 8.150 nan 0.000 0.443 72 V N 0.150 119.830 119.914 -0.390 0.000 2.332 72 V HA -0.269 3.851 4.120 0.001 0.000 0.248 72 V C 2.666 178.588 176.094 -0.287 0.000 1.055 72 V CA 2.036 64.118 62.300 -0.362 0.000 1.038 72 V CB -0.868 30.661 31.823 -0.491 0.000 0.651 72 V HN 0.536 nan 8.190 nan 0.000 0.450 73 Q N 0.048 119.668 119.800 -0.300 0.000 2.226 73 Q HA -0.094 4.246 4.340 0.001 0.000 0.204 73 Q C 1.553 177.356 176.000 -0.328 0.000 0.975 73 Q CA 0.985 56.630 55.803 -0.263 0.000 0.866 73 Q CB -0.382 28.217 28.738 -0.232 0.000 0.915 73 Q HN 0.654 nan 8.270 nan 0.000 0.440 74 N N -0.634 117.778 118.700 -0.480 0.000 2.251 74 N HA 0.107 4.847 4.740 0.001 0.000 0.217 74 N C 0.235 175.551 175.510 -0.324 0.000 1.124 74 N CA 0.639 53.389 53.050 -0.500 0.000 0.843 74 N CB 1.174 39.100 38.487 -0.935 0.000 1.024 74 N HN 0.278 nan 8.380 nan 0.000 0.501 75 G N 1.298 109.953 108.800 -0.242 0.000 2.182 75 G HA2 -0.280 3.680 3.960 0.001 0.000 0.248 75 G HA3 -0.280 3.680 3.960 0.001 0.000 0.248 75 G C -0.237 174.593 174.900 -0.117 0.000 1.042 75 G CA 0.232 45.241 45.100 -0.152 0.000 0.775 75 G HN 0.267 nan 8.290 nan 0.000 0.501 76 K N -0.137 120.176 120.400 -0.144 0.000 2.318 76 K HA 0.643 4.963 4.320 0.001 0.000 0.249 76 K C 0.522 177.058 176.600 -0.107 0.000 0.942 76 K CA -0.686 55.548 56.287 -0.088 0.000 0.808 76 K CB 1.705 34.178 32.500 -0.045 0.000 1.189 76 K HN 0.322 nan 8.250 nan 0.000 0.428 77 Q N 0.363 120.102 119.800 -0.101 0.000 2.308 77 Q HA 0.540 4.880 4.340 0.001 0.000 0.207 77 Q C -0.674 175.246 176.000 -0.134 0.000 1.035 77 Q CA -0.882 54.852 55.803 -0.115 0.000 1.008 77 Q CB 1.235 29.890 28.738 -0.138 0.000 1.168 77 Q HN 0.236 nan 8.270 nan 0.000 0.565 78 V N 0.730 120.566 119.914 -0.130 0.000 2.789 78 V HA 0.422 4.542 4.120 0.001 0.000 0.311 78 V C -0.805 175.137 176.094 -0.253 0.000 1.073 78 V CA -0.842 61.366 62.300 -0.153 0.000 0.921 78 V CB 2.016 33.808 31.823 -0.052 0.000 1.009 78 V HN 0.640 nan 8.190 nan 0.000 0.426 79 R N 2.081 122.418 120.500 -0.273 0.000 2.294 79 R HA 0.607 4.948 4.340 0.001 0.000 0.319 79 R C 0.269 176.304 176.300 -0.443 0.000 0.984 79 R CA -0.487 55.428 56.100 -0.309 0.000 0.861 79 R CB 1.893 32.083 30.300 -0.184 0.000 1.104 79 R HN 0.911 nan 8.270 nan 0.000 0.451 80 G N 1.394 109.702 108.800 -0.820 0.000 2.370 80 G HA2 0.219 4.179 3.960 0.001 0.000 0.272 80 G HA3 0.219 4.179 3.960 0.001 0.000 0.272 80 G C -0.988 173.713 174.900 -0.331 0.000 1.208 80 G CA 0.003 44.306 45.100 -1.329 0.000 0.856 80 G HN 0.653 nan 8.290 nan 0.000 0.500 81 H N -0.004 118.987 119.070 -0.133 0.000 3.096 81 H HA 0.583 5.140 4.556 0.001 0.000 0.335 81 H C -0.817 174.631 175.328 0.201 0.000 0.990 81 H CA -0.271 55.825 56.048 0.081 0.000 1.393 81 H CB 1.983 31.758 29.762 0.022 0.000 1.742 81 H HN 0.659 nan 8.280 nan 0.000 0.501 82 T N 4.444 118.962 114.554 -0.061 0.000 2.894 82 T HA 0.289 4.640 4.350 0.001 0.000 0.309 82 T C 0.551 175.353 174.700 0.170 0.000 1.208 82 T CA -0.676 61.394 62.100 -0.050 0.000 1.016 82 T CB 1.152 69.660 68.868 -0.601 0.000 1.192 82 T HN 0.553 nan 8.240 nan 0.000 0.491 83 L N 1.762 123.079 121.223 0.156 0.000 2.202 83 L HA 0.506 4.847 4.340 0.001 0.000 0.205 83 L C 1.212 178.207 176.870 0.209 0.000 1.083 83 L CA 0.348 55.273 54.840 0.142 0.000 0.790 83 L CB -0.138 41.867 42.059 -0.091 0.000 0.942 83 L HN 0.678 nan 8.230 nan 0.000 0.452 84 A N -1.122 121.813 122.820 0.191 0.000 2.353 84 A HA 0.552 4.873 4.320 0.001 0.000 0.299 84 A C -1.974 175.858 177.584 0.412 0.000 1.089 84 A CA -0.204 52.010 52.037 0.295 0.000 0.736 84 A CB 1.052 20.292 19.000 0.400 0.000 1.195 84 A HN 0.173 nan 8.150 nan 0.000 0.447 85 W N 3.559 124.915 121.300 0.094 0.000 3.248 85 W HA 0.381 5.042 4.660 0.001 0.000 0.311 85 W C 0.516 177.019 176.519 -0.027 0.000 1.258 85 W CA -0.835 56.552 57.345 0.070 0.000 1.191 85 W CB 0.923 30.353 29.460 -0.049 0.000 1.389 85 W HN 0.817 nan 8.180 nan 0.000 0.561 86 H N 0.804 119.872 119.070 -0.003 0.000 2.512 86 H HA 0.184 4.740 4.556 0.001 0.000 0.279 86 H C 0.225 175.252 175.328 -0.501 0.000 0.999 86 H CA 0.835 56.743 56.048 -0.234 0.000 1.283 86 H CB 0.149 29.842 29.762 -0.115 0.000 1.421 86 H HN 0.086 nan 8.280 nan 0.000 0.554 87 S N 0.175 114.798 115.700 -1.796 0.000 2.654 87 S HA 0.159 4.629 4.470 0.001 0.000 0.283 87 S C 0.080 173.961 174.600 -1.197 0.000 1.180 87 S CA -0.412 56.819 58.200 -1.614 0.000 1.021 87 S CB 0.818 62.748 63.200 -2.116 0.000 1.018 87 S HN 0.544 nan 8.310 nan 0.000 0.532 88 Q N 0.611 119.975 119.800 -0.726 0.000 2.457 88 Q HA -0.203 4.138 4.340 0.001 0.000 0.283 88 Q C -0.587 175.227 176.000 -0.311 0.000 1.234 88 Q CA 0.699 56.256 55.803 -0.410 0.000 0.877 88 Q CB -1.242 27.322 28.738 -0.290 0.000 1.250 88 Q HN 0.676 nan 8.270 nan 0.000 0.481 89 Q N 0.974 120.561 119.800 -0.355 0.000 2.259 89 Q HA 0.371 4.711 4.340 0.001 0.000 0.246 89 Q C -1.927 173.853 176.000 -0.367 0.000 0.920 89 Q CA -1.735 53.848 55.803 -0.367 0.000 0.895 89 Q CB 0.733 29.232 28.738 -0.398 0.000 1.220 89 Q HN 0.124 nan 8.270 nan 0.000 0.439 90 P HA -0.064 nan 4.420 nan 0.000 0.272 90 P C 0.370 177.400 177.300 -0.450 0.000 1.240 90 P CA 0.077 62.933 63.100 -0.406 0.000 0.791 90 P CB 0.583 32.023 31.700 -0.433 0.000 0.978 91 G N 1.628 110.300 108.800 -0.212 0.000 2.513 91 G HA2 -0.268 3.693 3.960 0.001 0.000 0.219 91 G HA3 -0.268 3.693 3.960 0.001 0.000 0.219 91 G C 1.426 176.254 174.900 -0.120 0.000 1.160 91 G CA 0.748 45.771 45.100 -0.127 0.000 0.767 91 G HN 0.761 nan 8.290 nan 0.000 0.571 92 W N 0.110 121.366 121.300 -0.074 0.000 2.342 92 W HA -0.031 4.629 4.660 0.001 0.000 0.297 92 W C 2.157 178.630 176.519 -0.076 0.000 1.213 92 W CA 1.163 58.465 57.345 -0.072 0.000 1.251 92 W CB -1.001 28.414 29.460 -0.076 0.000 1.136 92 W HN 0.289 nan 8.180 nan 0.000 0.526 93 M N 1.469 120.527 119.600 -0.903 0.000 2.319 93 M HA -0.163 4.318 4.480 0.001 0.000 0.265 93 M C 2.346 178.416 176.300 -0.385 0.000 1.068 93 M CA 1.657 56.479 55.300 -0.798 0.000 1.118 93 M CB -0.233 31.622 32.600 -1.243 0.000 1.395 93 M HN 0.040 nan 8.290 nan 0.000 0.435 94 Q N -0.709 118.891 119.800 -0.334 0.000 2.224 94 Q HA -0.109 4.232 4.340 0.001 0.000 0.203 94 Q C 1.877 177.797 176.000 -0.133 0.000 0.970 94 Q CA 1.678 57.351 55.803 -0.217 0.000 0.865 94 Q CB 0.036 28.659 28.738 -0.191 0.000 0.922 94 Q HN 0.519 nan 8.270 nan 0.000 0.445 95 S N 0.434 116.080 115.700 -0.090 0.000 2.414 95 S HA 0.039 4.509 4.470 0.001 0.000 0.227 95 S C 0.935 175.518 174.600 -0.028 0.000 1.022 95 S CA 0.202 58.379 58.200 -0.039 0.000 0.958 95 S CB 0.024 63.227 63.200 0.005 0.000 0.797 95 S HN 0.223 nan 8.310 nan 0.000 0.493 96 L N 1.601 122.811 121.223 -0.021 0.000 2.479 96 L HA 0.239 4.579 4.340 0.001 0.000 0.270 96 L C 0.296 177.142 176.870 -0.040 0.000 1.236 96 L CA -0.015 54.822 54.840 -0.006 0.000 0.823 96 L CB 0.322 42.401 42.059 0.034 0.000 1.098 96 L HN 0.146 nan 8.230 nan 0.000 0.500 97 S N -1.185 114.499 115.700 -0.026 0.000 2.661 97 S HA 0.667 5.138 4.470 0.001 0.000 0.268 97 S C -0.048 174.538 174.600 -0.023 0.000 1.162 97 S CA -0.126 58.050 58.200 -0.041 0.000 0.817 97 S CB 1.359 64.535 63.200 -0.040 0.000 1.141 97 S HN 1.197 nan 8.310 nan 0.000 0.477 98 G N 2.014 110.798 108.800 -0.027 0.000 2.591 98 G HA2 -0.304 3.657 3.960 0.001 0.000 0.278 98 G HA3 -0.304 3.657 3.960 0.001 0.000 0.278 98 G C 1.093 175.995 174.900 0.003 0.000 1.293 98 G CA 1.097 46.191 45.100 -0.010 0.000 0.930 98 G HN 1.795 nan 8.290 nan 0.000 0.562 99 S N -1.674 114.035 115.700 0.014 0.000 2.402 99 S HA -0.180 4.290 4.470 0.001 0.000 0.233 99 S C 2.208 176.827 174.600 0.032 0.000 1.030 99 S CA 2.782 60.998 58.200 0.026 0.000 1.003 99 S CB -0.869 62.346 63.200 0.026 0.000 0.813 99 S HN 1.184 nan 8.310 nan 0.000 0.477 100 T N 2.613 117.183 114.554 0.027 0.000 2.708 100 T HA -0.008 4.343 4.350 0.001 0.000 0.266 100 T C 1.664 176.396 174.700 0.053 0.000 1.037 100 T CA 1.430 63.554 62.100 0.039 0.000 1.146 100 T CB -0.583 68.305 68.868 0.034 0.000 0.865 100 T HN 0.338 nan 8.240 nan 0.000 0.435 101 L N 1.398 122.639 121.223 0.030 0.000 2.027 101 L HA 0.079 4.420 4.340 0.001 0.000 0.206 101 L C 2.469 179.360 176.870 0.035 0.000 1.074 101 L CA 1.714 56.565 54.840 0.018 0.000 0.745 101 L CB -0.682 41.352 42.059 -0.042 0.000 0.898 101 L HN -0.014 nan 8.230 nan 0.000 0.433 102 R N -0.304 120.217 120.500 0.035 0.000 2.103 102 R HA -0.247 4.094 4.340 0.001 0.000 0.242 102 R C 2.342 178.695 176.300 0.088 0.000 1.142 102 R CA 2.064 58.204 56.100 0.067 0.000 0.960 102 R CB -0.779 29.563 30.300 0.070 0.000 0.858 102 R HN 0.536 nan 8.270 nan 0.000 0.439 103 Q N -0.391 119.457 119.800 0.080 0.000 2.079 103 Q HA 0.080 4.421 4.340 0.001 0.000 0.200 103 Q C 1.887 177.960 176.000 0.121 0.000 0.974 103 Q CA 2.065 57.922 55.803 0.089 0.000 0.840 103 Q CB -0.479 28.301 28.738 0.070 0.000 0.898 103 Q HN 0.405 nan 8.270 nan 0.000 0.430 104 A N 0.494 123.397 122.820 0.139 0.000 1.908 104 A HA -0.213 4.107 4.320 0.001 0.000 0.218 104 A C 2.167 179.888 177.584 0.228 0.000 1.181 104 A CA 1.783 53.949 52.037 0.215 0.000 0.627 104 A CB -0.762 18.399 19.000 0.269 0.000 0.818 104 A HN 0.603 nan 8.150 nan 0.000 0.445 105 M N -0.313 119.383 119.600 0.160 0.000 2.065 105 M HA -0.167 4.314 4.480 0.001 0.000 0.259 105 M C 2.017 178.438 176.300 0.200 0.000 1.069 105 M CA 2.093 57.495 55.300 0.170 0.000 1.110 105 M CB -0.383 32.302 32.600 0.141 0.000 1.328 105 M HN 0.443 nan 8.290 nan 0.000 0.405 106 I N 0.554 121.218 120.570 0.156 0.000 2.163 106 I HA -0.359 3.812 4.170 0.001 0.000 0.243 106 I C 1.919 178.117 176.117 0.135 0.000 1.085 106 I CA 1.546 62.920 61.300 0.123 0.000 1.347 106 I CB -0.870 37.187 38.000 0.096 0.000 1.044 106 I HN 0.351 nan 8.210 nan 0.000 0.408 107 D N -0.347 120.159 120.400 0.176 0.000 2.117 107 D HA -0.241 4.400 4.640 0.001 0.000 0.197 107 D C 1.999 178.486 176.300 0.313 0.000 0.987 107 D CA 1.576 55.703 54.000 0.212 0.000 0.829 107 D CB -0.460 40.469 40.800 0.215 0.000 0.961 107 D HN 0.454 nan 8.370 nan 0.000 0.460 108 H N 0.765 120.005 119.070 0.283 0.000 2.321 108 H HA -0.030 4.526 4.556 0.001 0.000 0.300 108 H C 2.197 177.634 175.328 0.182 0.000 1.087 108 H CA 1.323 57.588 56.048 0.362 0.000 1.319 108 H CB -0.344 29.592 29.762 0.289 0.000 1.379 108 H HN 0.064 nan 8.280 nan 0.000 0.501 109 I N 0.234 120.844 120.570 0.067 0.000 2.163 109 I HA -0.310 3.860 4.170 0.001 0.000 0.243 109 I C 2.045 178.052 176.117 -0.184 0.000 1.085 109 I CA 1.335 62.567 61.300 -0.114 0.000 1.347 109 I CB -0.341 37.623 38.000 -0.061 0.000 1.044 109 I HN 0.397 nan 8.210 nan 0.000 0.408 110 N N 1.039 119.686 118.700 -0.088 0.000 2.188 110 N HA -0.109 4.631 4.740 0.001 0.000 0.184 110 N C 1.879 177.278 175.510 -0.186 0.000 1.018 110 N CA 1.579 54.566 53.050 -0.105 0.000 0.858 110 N CB -0.511 37.957 38.487 -0.031 0.000 0.989 110 N HN 0.438 nan 8.380 nan 0.000 0.426 111 G N 1.208 109.860 108.800 -0.247 0.000 2.453 111 G HA2 -0.163 3.798 3.960 0.001 0.000 0.215 111 G HA3 -0.163 3.798 3.960 0.001 0.000 0.215 111 G C 1.769 176.315 174.900 -0.589 0.000 1.201 111 G CA 0.819 45.510 45.100 -0.682 0.000 0.784 111 G HN 0.160 nan 8.290 nan 0.000 0.545 112 V N 1.179 120.834 119.914 -0.432 0.000 2.261 112 V HA -0.199 3.922 4.120 0.001 0.000 0.246 112 V C 2.927 178.951 176.094 -0.118 0.000 1.047 112 V CA 2.155 64.380 62.300 -0.125 0.000 1.015 112 V CB -0.506 31.230 31.823 -0.145 0.000 0.642 112 V HN 0.343 nan 8.190 nan 0.000 0.446 113 M N 0.289 119.720 119.600 -0.280 0.000 2.213 113 M HA -0.073 4.408 4.480 0.001 0.000 0.263 113 M C 2.234 178.463 176.300 -0.119 0.000 1.062 113 M CA 1.840 57.008 55.300 -0.219 0.000 1.105 113 M CB -0.812 31.568 32.600 -0.367 0.000 1.385 113 M HN 0.519 nan 8.290 nan 0.000 0.417 114 G N -0.848 107.846 108.800 -0.177 0.000 2.418 114 G HA2 -0.280 3.681 3.960 0.001 0.000 0.217 114 G HA3 -0.280 3.681 3.960 0.001 0.000 0.217 114 G C 1.178 175.947 174.900 -0.218 0.000 1.158 114 G CA 1.244 46.245 45.100 -0.164 0.000 0.771 114 G HN 0.464 nan 8.290 nan 0.000 0.545 115 H N -0.411 118.377 119.070 -0.470 0.000 2.353 115 H HA -0.049 4.508 4.556 0.001 0.000 0.300 115 H C 1.294 176.188 175.328 -0.724 0.000 1.090 115 H CA 1.311 56.898 56.048 -0.768 0.000 1.327 115 H CB -0.143 28.659 29.762 -1.601 0.000 1.383 115 H HN 0.412 nan 8.280 nan 0.000 0.508 116 Y N 0.569 120.653 120.300 -0.360 0.000 2.532 116 Y HA 0.196 4.747 4.550 0.001 0.000 0.283 116 Y C 0.761 176.561 175.900 -0.167 0.000 1.181 116 Y CA -0.467 57.438 58.100 -0.324 0.000 1.256 116 Y CB 0.065 38.468 38.460 -0.095 0.000 1.112 116 Y HN -0.065 nan 8.280 nan 0.000 0.521 117 K N 1.274 121.639 120.400 -0.059 0.000 2.441 117 K HA -0.062 4.258 4.320 0.001 0.000 0.273 117 K C 1.152 177.748 176.600 -0.007 0.000 1.090 117 K CA 1.259 57.534 56.287 -0.020 0.000 1.158 117 K CB -0.269 32.189 32.500 -0.069 0.000 0.847 117 K HN 0.730 nan 8.250 nan 0.000 0.483 118 G N 4.003 112.829 108.800 0.045 0.000 2.155 118 G HA2 -0.315 3.645 3.960 0.001 0.000 0.257 118 G HA3 -0.315 3.645 3.960 0.001 0.000 0.257 118 G C 0.648 175.574 174.900 0.043 0.000 0.983 118 G CA 0.882 46.006 45.100 0.041 0.000 0.676 118 G HN 0.709 nan 8.290 nan 0.000 0.528 119 K N -0.897 119.526 120.400 0.039 0.000 2.380 119 K HA 0.349 4.669 4.320 0.001 0.000 0.198 119 K C 0.534 177.177 176.600 0.073 0.000 1.070 119 K CA -0.133 56.187 56.287 0.055 0.000 1.040 119 K CB 0.870 33.302 32.500 -0.114 0.000 0.903 119 K HN 0.315 nan 8.250 nan 0.000 0.549 120 I N 0.965 121.543 120.570 0.013 0.000 2.377 120 I HA 0.195 4.366 4.170 0.001 0.000 0.293 120 I C 1.158 177.231 176.117 -0.074 0.000 0.987 120 I CA -0.248 60.979 61.300 -0.121 0.000 1.185 120 I CB 1.188 38.959 38.000 -0.382 0.000 1.341 120 I HN -0.006 nan 8.210 nan 0.000 0.455 121 A N 6.209 128.965 122.820 -0.106 0.000 1.872 121 A HA -0.030 4.291 4.320 0.001 0.000 0.214 121 A C 0.789 178.350 177.584 -0.039 0.000 1.187 121 A CA 1.099 53.100 52.037 -0.060 0.000 0.614 121 A CB 0.048 18.992 19.000 -0.095 0.000 0.826 121 A HN 0.782 nan 8.150 nan 0.000 0.442 122 Q N -3.156 116.575 119.800 -0.116 0.000 2.389 122 Q HA 0.489 4.830 4.340 0.001 0.000 0.277 122 Q C -2.022 173.906 176.000 -0.121 0.000 1.082 122 Q CA -0.359 55.424 55.803 -0.033 0.000 0.810 122 Q CB 2.122 30.857 28.738 -0.004 0.000 1.374 122 Q HN 0.541 nan 8.270 nan 0.000 0.422 123 W N 1.203 122.523 121.300 0.034 0.000 2.656 123 W HA 0.315 4.976 4.660 0.001 0.000 0.327 123 W C -0.756 175.776 176.519 0.021 0.000 1.041 123 W CA -0.452 56.903 57.345 0.017 0.000 1.229 123 W CB 1.722 31.182 29.460 -0.001 0.000 1.397 123 W HN 0.456 nan 8.180 nan 0.000 0.479 124 D N 3.486 124.091 120.400 0.342 0.000 2.483 124 D HA 0.072 4.712 4.640 0.001 0.000 0.220 124 D C 1.187 177.578 176.300 0.152 0.000 1.173 124 D CA 0.207 54.320 54.000 0.187 0.000 0.964 124 D CB 1.154 42.045 40.800 0.153 0.000 1.046 124 D HN 0.099 nan 8.370 nan 0.000 0.517 125 V N 1.712 121.641 119.914 0.025 0.000 2.261 125 V HA -0.149 3.972 4.120 0.001 0.000 0.246 125 V C 1.143 177.146 176.094 -0.152 0.000 1.047 125 V CA 1.120 63.287 62.300 -0.221 0.000 1.015 125 V CB -0.024 31.324 31.823 -0.792 0.000 0.642 125 V HN 0.259 nan 8.190 nan 0.000 0.446 126 V N 0.524 120.380 119.914 -0.097 0.000 2.555 126 V HA 0.493 4.613 4.120 0.001 0.000 0.302 126 V C -0.677 175.425 176.094 0.012 0.000 1.038 126 V CA -0.680 61.681 62.300 0.102 0.000 0.887 126 V CB 1.713 33.681 31.823 0.243 0.000 0.991 126 V HN 0.478 nan 8.190 nan 0.000 0.434 127 N N 2.010 120.725 118.700 0.025 0.000 2.314 127 N HA 0.369 5.110 4.740 0.001 0.000 0.294 127 N C -0.439 175.126 175.510 0.091 0.000 1.029 127 N CA -0.536 52.382 53.050 -0.220 0.000 0.845 127 N CB 1.358 39.434 38.487 -0.685 0.000 1.321 127 N HN 0.744 nan 8.380 nan 0.000 0.481 128 E N 1.189 121.412 120.200 0.037 0.000 2.197 128 E HA -0.259 4.092 4.350 0.001 0.000 0.184 128 E C -0.226 176.683 176.600 0.515 0.000 1.439 128 E CA 0.572 57.166 56.400 0.324 0.000 0.688 128 E CB -1.269 28.788 29.700 0.595 0.000 1.090 128 E HN 0.571 nan 8.360 nan 0.000 0.341 129 A N 0.316 123.503 122.820 0.612 0.000 2.275 129 A HA 0.247 4.568 4.320 0.001 0.000 0.212 129 A C 0.169 177.937 177.584 0.307 0.000 1.201 129 A CA 0.228 52.609 52.037 0.573 0.000 0.843 129 A CB 0.301 19.655 19.000 0.590 0.000 0.873 129 A HN 0.244 nan 8.150 nan 0.000 0.492 130 F N -0.742 119.315 119.950 0.179 0.000 2.470 130 F HA 0.532 5.059 4.527 0.001 0.000 0.329 130 F C 0.928 176.727 175.800 -0.000 0.000 1.072 130 F CA -0.887 57.153 58.000 0.067 0.000 0.989 130 F CB 1.593 40.617 39.000 0.039 0.000 1.193 130 F HN -0.056 nan 8.300 nan 0.000 0.481 131 S N 0.289 116.051 115.700 0.103 0.000 2.603 131 S HA 0.169 4.640 4.470 0.001 0.000 0.268 131 S C 0.262 174.885 174.600 0.038 0.000 1.317 131 S CA -0.524 57.701 58.200 0.040 0.000 1.012 131 S CB 0.439 63.640 63.200 0.002 0.000 0.926 131 S HN 0.610 nan 8.310 nan 0.000 0.539 132 D N 1.092 121.503 120.400 0.018 0.000 2.402 132 D HA 0.082 4.722 4.640 0.001 0.000 0.216 132 D C 0.625 176.911 176.300 -0.023 0.000 1.128 132 D CA 0.161 54.156 54.000 -0.008 0.000 0.833 132 D CB 0.185 41.011 40.800 0.043 0.000 0.971 132 D HN 0.733 nan 8.370 nan 0.000 0.503 133 D N -0.112 120.282 120.400 -0.010 0.000 2.312 133 D HA -0.015 4.626 4.640 0.001 0.000 0.211 133 D C 1.663 177.949 176.300 -0.023 0.000 0.964 133 D CA 1.049 55.039 54.000 -0.016 0.000 0.877 133 D CB -0.071 40.723 40.800 -0.009 0.000 0.924 133 D HN 0.175 nan 8.370 nan 0.000 0.515 134 G N -0.552 108.234 108.800 -0.024 0.000 2.184 134 G HA2 -0.318 3.642 3.960 0.001 0.000 0.206 134 G HA3 -0.318 3.642 3.960 0.001 0.000 0.206 134 G C 1.214 176.115 174.900 0.003 0.000 0.995 134 G CA 0.690 45.776 45.100 -0.024 0.000 0.651 134 G HN 0.627 nan 8.290 nan 0.000 0.511 135 S N -0.160 115.547 115.700 0.013 0.000 2.414 135 S HA 0.388 4.858 4.470 0.001 0.000 0.227 135 S C 2.277 176.905 174.600 0.046 0.000 1.022 135 S CA 1.653 59.865 58.200 0.021 0.000 0.958 135 S CB 0.014 63.221 63.200 0.013 0.000 0.797 135 S HN 2.374 nan 8.310 nan 0.000 0.493 136 G N 0.526 109.374 108.800 0.080 0.000 2.132 136 G HA2 0.014 3.975 3.960 0.001 0.000 0.228 136 G HA3 0.014 3.975 3.960 0.001 0.000 0.228 136 G C 0.267 175.307 174.900 0.233 0.000 1.000 136 G CA -0.068 45.126 45.100 0.156 0.000 0.693 136 G HN 1.072 nan 8.290 nan 0.000 0.515 137 G N -1.070 107.794 108.800 0.107 0.000 2.601 137 G HA2 0.677 4.637 3.960 0.001 0.000 0.317 137 G HA3 0.677 4.637 3.960 0.001 0.000 0.317 137 G C 0.202 174.926 174.900 -0.292 0.000 1.246 137 G CA -0.956 44.118 45.100 -0.044 0.000 1.012 137 G HN 0.323 nan 8.290 nan 0.000 0.494 138 R N -0.100 120.127 120.500 -0.457 0.000 2.734 138 R HA 0.100 4.441 4.340 0.001 0.000 0.266 138 R C 0.655 176.827 176.300 -0.213 0.000 1.044 138 R CA -0.283 55.513 56.100 -0.507 0.000 1.128 138 R CB 0.380 30.514 30.300 -0.277 0.000 1.010 138 R HN 0.633 nan 8.270 nan 0.000 0.461 139 R N 1.306 121.726 120.500 -0.134 0.000 2.390 139 R HA -0.006 4.335 4.340 0.001 0.000 0.291 139 R C -0.690 175.565 176.300 -0.075 0.000 1.070 139 R CA -0.324 55.725 56.100 -0.085 0.000 1.014 139 R CB 0.540 30.782 30.300 -0.097 0.000 1.007 139 R HN 0.471 nan 8.270 nan 0.000 0.466 140 D N 2.568 122.918 120.400 -0.084 0.000 2.374 140 D HA 0.087 4.728 4.640 0.001 0.000 0.240 140 D C -0.975 175.263 176.300 -0.104 0.000 1.229 140 D CA 0.167 54.120 54.000 -0.078 0.000 0.895 140 D CB 0.579 41.341 40.800 -0.062 0.000 1.046 140 D HN 0.547 nan 8.370 nan 0.000 0.498 141 S N 2.549 118.175 115.700 -0.123 0.000 2.697 141 S HA 0.300 4.771 4.470 0.001 0.000 0.289 141 S C 1.106 175.594 174.600 -0.186 0.000 1.149 141 S CA -0.870 57.243 58.200 -0.145 0.000 0.850 141 S CB 1.052 64.166 63.200 -0.143 0.000 1.151 141 S HN 0.399 nan 8.310 nan 0.000 0.491 142 N N 0.841 119.429 118.700 -0.187 0.000 2.289 142 N HA -0.094 4.647 4.740 0.001 0.000 0.184 142 N C 1.454 176.788 175.510 -0.293 0.000 1.016 142 N CA 1.167 54.099 53.050 -0.198 0.000 0.872 142 N CB -0.838 37.546 38.487 -0.172 0.000 0.973 142 N HN 0.675 nan 8.380 nan 0.000 0.433 143 L N -0.265 120.680 121.223 -0.464 0.000 2.095 143 L HA -0.029 4.312 4.340 0.001 0.000 0.204 143 L C 2.740 178.992 176.870 -1.031 0.000 1.080 143 L CA 0.977 55.328 54.840 -0.815 0.000 0.759 143 L CB -0.501 40.774 42.059 -1.307 0.000 0.914 143 L HN 0.178 nan 8.230 nan 0.000 0.439 144 Q N 0.888 120.209 119.800 -0.798 0.000 2.167 144 Q HA -0.148 4.193 4.340 0.001 0.000 0.202 144 Q C 2.065 177.982 176.000 -0.138 0.000 0.970 144 Q CA 1.496 57.100 55.803 -0.332 0.000 0.855 144 Q CB -0.053 28.669 28.738 -0.027 0.000 0.911 144 Q HN 0.263 nan 8.270 nan 0.000 0.438 145 R N -0.509 119.891 120.500 -0.167 0.000 2.339 145 R HA 0.002 4.342 4.340 0.001 0.000 0.199 145 R C 1.568 177.826 176.300 -0.069 0.000 1.018 145 R CA 1.214 57.260 56.100 -0.089 0.000 1.036 145 R CB -0.033 30.213 30.300 -0.090 0.000 0.899 145 R HN 0.440 nan 8.270 nan 0.000 0.473 146 T N -3.188 111.308 114.554 -0.097 0.000 3.065 146 T HA 0.232 4.583 4.350 0.001 0.000 0.252 146 T C 0.735 175.456 174.700 0.036 0.000 1.099 146 T CA 0.356 62.432 62.100 -0.040 0.000 1.063 146 T CB 0.910 69.742 68.868 -0.059 0.000 0.948 146 T HN 0.241 nan 8.240 nan 0.000 0.506 147 G N 0.877 109.723 108.800 0.078 0.000 2.326 147 G HA2 0.064 4.025 3.960 0.001 0.000 0.299 147 G HA3 0.064 4.025 3.960 0.001 0.000 0.299 147 G C -0.156 174.912 174.900 0.280 0.000 1.643 147 G CA -0.374 44.812 45.100 0.143 0.000 0.916 147 G HN 0.076 nan 8.290 nan 0.000 0.700 148 N N 0.646 119.474 118.700 0.213 0.000 2.430 148 N HA -0.125 4.616 4.740 0.001 0.000 0.186 148 N C 1.732 177.362 175.510 0.200 0.000 1.032 148 N CA 1.926 55.112 53.050 0.226 0.000 0.893 148 N CB 0.231 38.786 38.487 0.113 0.000 0.957 148 N HN 0.637 nan 8.380 nan 0.000 0.442 149 D N -0.570 119.943 120.400 0.189 0.000 2.319 149 D HA -0.098 4.543 4.640 0.001 0.000 0.230 149 D C 1.647 178.045 176.300 0.163 0.000 1.094 149 D CA -0.207 53.870 54.000 0.128 0.000 0.856 149 D CB -0.905 39.951 40.800 0.093 0.000 0.915 149 D HN 0.545 nan 8.370 nan 0.000 0.517 150 W N 1.303 122.660 121.300 0.095 0.000 2.358 150 W HA -0.100 4.561 4.660 0.001 0.000 0.303 150 W C 1.529 178.141 176.519 0.155 0.000 1.208 150 W CA 0.146 57.552 57.345 0.102 0.000 1.274 150 W CB -1.122 28.390 29.460 0.088 0.000 1.138 150 W HN -0.097 nan 8.180 nan 0.000 0.515 151 I N 1.416 121.629 120.570 -0.595 0.000 2.127 151 I HA -0.323 3.847 4.170 0.001 0.000 0.241 151 I C 2.819 179.001 176.117 0.108 0.000 1.075 151 I CA 2.333 63.392 61.300 -0.402 0.000 1.334 151 I CB -0.850 36.928 38.000 -0.371 0.000 1.040 151 I HN 0.034 nan 8.210 nan 0.000 0.405 152 E N 1.023 121.245 120.200 0.037 0.000 2.070 152 E HA -0.221 4.129 4.350 0.001 0.000 0.197 152 E C 2.316 178.904 176.600 -0.019 0.000 1.004 152 E CA 1.847 58.144 56.400 -0.171 0.000 0.805 152 E CB 0.092 29.626 29.700 -0.276 0.000 0.744 152 E HN 0.286 nan 8.360 nan 0.000 0.451 153 V N 1.222 121.160 119.914 0.040 0.000 2.332 153 V HA -0.297 3.824 4.120 0.001 0.000 0.248 153 V C 2.475 178.617 176.094 0.079 0.000 1.055 153 V CA 1.857 64.199 62.300 0.069 0.000 1.038 153 V CB -0.872 31.022 31.823 0.118 0.000 0.651 153 V HN 0.441 nan 8.190 nan 0.000 0.450 154 A N -0.513 122.366 122.820 0.098 0.000 1.877 154 A HA -0.198 4.122 4.320 0.001 0.000 0.216 154 A C 2.046 179.587 177.584 -0.073 0.000 1.186 154 A CA 1.923 53.974 52.037 0.022 0.000 0.620 154 A CB -0.739 18.265 19.000 0.007 0.000 0.822 154 A HN 0.466 nan 8.150 nan 0.000 0.443 155 F N -0.196 119.755 119.950 0.003 0.000 2.186 155 F HA -0.087 4.441 4.527 0.001 0.000 0.299 155 F C 2.602 178.382 175.800 -0.033 0.000 1.090 155 F CA 1.608 59.605 58.000 -0.006 0.000 1.307 155 F CB -0.205 38.782 39.000 -0.021 0.000 1.019 155 F HN 0.107 nan 8.300 nan 0.000 0.489 156 R N -0.638 119.928 120.500 0.109 0.000 2.075 156 R HA -0.107 4.233 4.340 0.001 0.000 0.232 156 R C 2.117 178.433 176.300 0.027 0.000 1.126 156 R CA 1.867 57.993 56.100 0.043 0.000 0.963 156 R CB -0.958 29.347 30.300 0.007 0.000 0.858 156 R HN 0.194 nan 8.270 nan 0.000 0.435 157 T N 1.018 115.582 114.554 0.017 0.000 2.708 157 T HA -0.147 4.203 4.350 0.001 0.000 0.266 157 T C 1.972 176.654 174.700 -0.031 0.000 1.037 157 T CA 1.463 63.561 62.100 -0.002 0.000 1.146 157 T CB -0.297 68.573 68.868 0.004 0.000 0.865 157 T HN 0.376 nan 8.240 nan 0.000 0.435 158 A N 1.921 124.705 122.820 -0.060 0.000 1.883 158 A HA -0.177 4.144 4.320 0.001 0.000 0.217 158 A C 2.246 179.809 177.584 -0.035 0.000 1.186 158 A CA 2.231 54.206 52.037 -0.102 0.000 0.624 158 A CB -0.632 18.271 19.000 -0.162 0.000 0.822 158 A HN 0.354 nan 8.150 nan 0.000 0.444 159 R N 0.201 120.715 120.500 0.024 0.000 2.103 159 R HA -0.105 4.236 4.340 0.001 0.000 0.242 159 R C 2.106 178.419 176.300 0.021 0.000 1.142 159 R CA 2.169 58.297 56.100 0.046 0.000 0.960 159 R CB -0.886 29.453 30.300 0.065 0.000 0.858 159 R HN 0.416 nan 8.270 nan 0.000 0.439 160 A N 0.013 122.837 122.820 0.007 0.000 1.898 160 A HA 0.033 4.354 4.320 0.001 0.000 0.216 160 A C 2.379 179.956 177.584 -0.012 0.000 1.181 160 A CA 1.623 53.660 52.037 0.000 0.000 0.620 160 A CB -1.003 17.997 19.000 -0.001 0.000 0.819 160 A HN 0.500 nan 8.150 nan 0.000 0.442 161 A N -1.236 121.566 122.820 -0.031 0.000 1.902 161 A HA 0.006 4.327 4.320 0.001 0.000 0.217 161 A C 0.958 178.520 177.584 -0.037 0.000 1.181 161 A CA 1.795 53.801 52.037 -0.051 0.000 0.623 161 A CB -0.098 18.843 19.000 -0.097 0.000 0.818 161 A HN 0.417 nan 8.150 nan 0.000 0.443 162 D N -2.399 117.991 120.400 -0.017 0.000 2.411 162 D HA 0.211 4.852 4.640 0.001 0.000 0.239 162 D C -2.419 173.910 176.300 0.048 0.000 1.307 162 D CA -1.297 52.715 54.000 0.020 0.000 0.930 162 D CB 1.184 42.013 40.800 0.048 0.000 1.395 162 D HN 0.031 nan 8.370 nan 0.000 0.536 163 P HA 0.025 nan 4.420 nan 0.000 0.239 163 P C 0.900 178.238 177.300 0.063 0.000 1.184 163 P CA 0.247 63.378 63.100 0.051 0.000 0.760 163 P CB 0.427 32.148 31.700 0.036 0.000 0.884 164 A N -0.075 122.785 122.820 0.067 0.000 2.072 164 A HA 0.380 4.700 4.320 0.001 0.000 0.216 164 A C 1.469 179.108 177.584 0.092 0.000 1.156 164 A CA 0.495 52.574 52.037 0.069 0.000 0.701 164 A CB -0.626 18.409 19.000 0.059 0.000 0.816 164 A HN 0.306 nan 8.150 nan 0.000 0.458 165 A N 0.277 123.173 122.820 0.128 0.000 2.316 165 A HA 0.532 4.852 4.320 0.001 0.000 0.284 165 A C -0.000 177.685 177.584 0.169 0.000 1.115 165 A CA -0.520 51.617 52.037 0.167 0.000 0.812 165 A CB 0.257 19.436 19.000 0.300 0.000 1.064 165 A HN 0.354 nan 8.150 nan 0.000 0.489 166 K N 1.430 121.925 120.400 0.158 0.000 2.276 166 K HA 0.379 4.700 4.320 0.001 0.000 0.283 166 K C -1.042 175.694 176.600 0.228 0.000 1.044 166 K CA 0.125 56.512 56.287 0.167 0.000 0.944 166 K CB 0.679 33.262 32.500 0.138 0.000 1.012 166 K HN 0.566 nan 8.250 nan 0.000 0.472 167 L N 4.169 125.553 121.223 0.268 0.000 2.257 167 L HA 0.335 4.676 4.340 0.001 0.000 0.290 167 L C -0.397 176.756 176.870 0.473 0.000 1.044 167 L CA -0.892 54.174 54.840 0.377 0.000 0.810 167 L CB 0.867 43.203 42.059 0.462 0.000 1.193 167 L HN 0.657 nan 8.230 nan 0.000 0.425 168 c N 1.891 120.742 118.600 0.419 0.000 2.454 168 c HA 0.483 5.053 4.570 0.001 0.000 0.336 168 c C -0.202 174.176 174.090 0.479 0.000 1.189 168 c CA -0.973 55.579 56.329 0.371 0.000 1.877 168 c CB 1.452 44.075 42.510 0.189 0.000 2.348 168 c HN 0.624 nan 8.230 nan 0.000 0.508 169 Y N 2.316 122.797 120.300 0.301 0.000 2.330 169 Y HA 0.551 5.101 4.550 0.001 0.000 0.336 169 Y C -0.241 175.666 175.900 0.010 0.000 1.036 169 Y CA -0.302 57.948 58.100 0.251 0.000 1.125 169 Y CB 0.618 39.152 38.460 0.123 0.000 1.194 169 Y HN 0.794 nan 8.280 nan 0.000 0.469 170 N N 4.136 122.355 118.700 -0.802 0.000 2.284 170 N HA 0.431 5.171 4.740 0.001 0.000 0.300 170 N C -2.077 172.993 175.510 -0.733 0.000 1.047 170 N CA -0.342 52.344 53.050 -0.607 0.000 0.821 170 N CB 1.369 39.665 38.487 -0.318 0.000 1.337 170 N HN 0.771 nan 8.380 nan 0.000 0.482 171 D N 0.248 120.363 120.400 -0.476 0.000 2.671 171 D HA 0.244 4.885 4.640 0.001 0.000 0.273 171 D C -1.455 174.782 176.300 -0.106 0.000 1.264 171 D CA -0.269 53.568 54.000 -0.272 0.000 0.788 171 D CB 0.941 41.602 40.800 -0.231 0.000 1.324 171 D HN 0.420 nan 8.370 nan 0.000 0.424 172 Y N -0.480 119.810 120.300 -0.016 0.000 2.587 172 Y HA 0.530 5.081 4.550 0.001 0.000 0.337 172 Y C 0.619 176.587 175.900 0.113 0.000 1.065 172 Y CA -0.908 57.214 58.100 0.038 0.000 1.126 172 Y CB 0.617 39.141 38.460 0.107 0.000 1.279 172 Y HN 0.571 nan 8.280 nan 0.000 0.489 173 N N 0.769 119.657 118.700 0.313 0.000 2.754 173 N HA -0.217 4.524 4.740 0.001 0.000 0.248 173 N C -0.253 175.517 175.510 0.433 0.000 1.093 173 N CA 0.915 54.180 53.050 0.357 0.000 0.699 173 N CB -1.041 37.495 38.487 0.081 0.000 1.016 173 N HN 0.795 nan 8.380 nan 0.000 0.552 174 I N -4.148 116.656 120.570 0.391 0.000 3.966 174 I HA 0.281 4.451 4.170 0.001 0.000 0.324 174 I C 0.767 177.210 176.117 0.543 0.000 1.517 174 I CA -0.470 61.064 61.300 0.389 0.000 1.117 174 I CB 0.553 38.643 38.000 0.151 0.000 1.190 174 I HN -0.159 nan 8.210 nan 0.000 0.466 175 E N 1.274 121.754 120.200 0.466 0.000 2.122 175 E HA 0.060 4.411 4.350 0.001 0.000 0.190 175 E C 0.790 177.497 176.600 0.178 0.000 0.977 175 E CA 0.436 57.055 56.400 0.365 0.000 0.820 175 E CB 0.018 29.712 29.700 -0.009 0.000 0.770 175 E HN 0.363 nan 8.360 nan 0.000 0.462 176 N N 0.781 119.313 118.700 -0.280 0.000 2.411 176 N HA -0.077 4.664 4.740 0.001 0.000 0.259 176 N C 0.166 175.536 175.510 -0.233 0.000 1.103 176 N CA -0.054 52.614 53.050 -0.637 0.000 0.954 176 N CB 0.322 37.622 38.487 -1.979 0.000 1.085 176 N HN 0.284 nan 8.380 nan 0.000 0.485 177 W N 3.686 124.866 121.300 -0.199 0.000 2.350 177 W HA -0.205 4.456 4.660 0.001 0.000 0.289 177 W C 1.265 177.736 176.519 -0.079 0.000 1.215 177 W CA 1.947 59.241 57.345 -0.085 0.000 1.236 177 W CB 0.035 29.434 29.460 -0.102 0.000 1.130 177 W HN 0.620 nan 8.180 nan 0.000 0.541 178 T N -2.563 111.881 114.554 -0.183 0.000 3.118 178 T HA -0.110 4.240 4.350 0.001 0.000 0.260 178 T C 0.479 175.165 174.700 -0.023 0.000 1.139 178 T CA 0.054 62.053 62.100 -0.168 0.000 1.085 178 T CB -0.633 68.200 68.868 -0.059 0.000 0.934 178 T HN -0.063 nan 8.240 nan 0.000 0.518 179 W N 1.303 122.544 121.300 -0.099 0.000 2.190 179 W HA 0.684 5.344 4.660 0.001 0.000 0.330 179 W C 1.560 178.011 176.519 -0.113 0.000 1.299 179 W CA -1.540 55.766 57.345 -0.065 0.000 1.215 179 W CB 0.292 29.750 29.460 -0.002 0.000 1.147 179 W HN 0.225 nan 8.180 nan 0.000 0.563 180 A N 2.961 125.867 122.820 0.143 0.000 1.933 180 A HA -0.225 4.095 4.320 0.001 0.000 0.218 180 A C 2.081 179.696 177.584 0.052 0.000 1.175 180 A CA 1.812 53.876 52.037 0.045 0.000 0.628 180 A CB -0.458 18.562 19.000 0.035 0.000 0.814 180 A HN 0.694 nan 8.150 nan 0.000 0.444 181 K N -0.845 119.606 120.400 0.085 0.000 2.057 181 K HA -0.125 4.195 4.320 0.001 0.000 0.207 181 K C 1.951 178.564 176.600 0.022 0.000 1.049 181 K CA 1.760 58.091 56.287 0.074 0.000 0.931 181 K CB -0.293 32.239 32.500 0.053 0.000 0.714 181 K HN 0.455 nan 8.250 nan 0.000 0.440 182 T N 1.396 116.019 114.554 0.115 0.000 2.788 182 T HA -0.122 4.228 4.350 0.001 0.000 0.268 182 T C 1.743 176.451 174.700 0.013 0.000 1.044 182 T CA 1.044 63.227 62.100 0.139 0.000 1.139 182 T CB -0.079 68.902 68.868 0.188 0.000 0.867 182 T HN 0.264 nan 8.240 nan 0.000 0.454 183 Q N 0.436 120.156 119.800 -0.133 0.000 2.123 183 Q HA 0.053 4.393 4.340 0.001 0.000 0.199 183 Q C 2.721 178.686 176.000 -0.057 0.000 0.966 183 Q CA 1.423 57.111 55.803 -0.192 0.000 0.845 183 Q CB -0.957 27.644 28.738 -0.229 0.000 0.907 183 Q HN 0.611 nan 8.270 nan 0.000 0.439 184 G N 0.381 109.148 108.800 -0.055 0.000 2.421 184 G HA2 -0.184 3.777 3.960 0.001 0.000 0.216 184 G HA3 -0.184 3.777 3.960 0.001 0.000 0.216 184 G C 1.623 176.320 174.900 -0.337 0.000 1.171 184 G CA 0.999 46.090 45.100 -0.015 0.000 0.775 184 G HN 0.264 nan 8.290 nan 0.000 0.543 185 V N -0.049 119.468 119.914 -0.661 0.000 2.343 185 V HA -0.217 3.903 4.120 0.001 0.000 0.247 185 V C 2.288 178.270 176.094 -0.186 0.000 1.051 185 V CA 1.868 63.745 62.300 -0.706 0.000 1.036 185 V CB -0.735 30.836 31.823 -0.419 0.000 0.654 185 V HN 0.473 nan 8.190 nan 0.000 0.451 186 Y N 1.994 122.247 120.300 -0.078 0.000 2.097 186 Y HA -0.265 4.286 4.550 0.001 0.000 0.282 186 Y C 2.580 178.344 175.900 -0.228 0.000 1.152 186 Y CA 2.113 60.068 58.100 -0.241 0.000 1.136 186 Y CB -0.456 37.806 38.460 -0.330 0.000 0.975 186 Y HN 0.289 nan 8.280 nan 0.000 0.498 187 N N 0.182 118.795 118.700 -0.145 0.000 2.149 187 N HA -0.254 4.486 4.740 0.001 0.000 0.188 187 N C 2.051 177.401 175.510 -0.267 0.000 1.019 187 N CA 1.828 54.769 53.050 -0.182 0.000 0.857 187 N CB -0.579 37.883 38.487 -0.042 0.000 0.997 187 N HN 0.546 nan 8.380 nan 0.000 0.426 188 M N 0.655 120.068 119.600 -0.311 0.000 2.086 188 M HA -0.118 4.363 4.480 0.001 0.000 0.261 188 M C 1.723 177.601 176.300 -0.703 0.000 1.067 188 M CA 1.371 56.370 55.300 -0.501 0.000 1.116 188 M CB 0.006 32.267 32.600 -0.565 0.000 1.348 188 M HN -0.133 nan 8.290 nan 0.000 0.407 189 V N 0.640 120.212 119.914 -0.569 0.000 2.407 189 V HA -0.271 3.849 4.120 0.001 0.000 0.248 189 V C 2.508 178.423 176.094 -0.298 0.000 1.055 189 V CA 2.228 64.282 62.300 -0.410 0.000 1.049 189 V CB -1.072 30.650 31.823 -0.169 0.000 0.662 189 V HN 0.558 nan 8.190 nan 0.000 0.455 190 R N 0.280 120.528 120.500 -0.420 0.000 2.081 190 R HA -0.238 4.103 4.340 0.001 0.000 0.235 190 R C 2.143 178.343 176.300 -0.167 0.000 1.131 190 R CA 2.311 58.200 56.100 -0.351 0.000 0.960 190 R CB -0.440 29.562 30.300 -0.497 0.000 0.856 190 R HN 0.621 nan 8.270 nan 0.000 0.436 191 D N -0.447 119.866 120.400 -0.146 0.000 2.097 191 D HA -0.184 4.457 4.640 0.001 0.000 0.195 191 D C 1.663 178.046 176.300 0.138 0.000 0.989 191 D CA 1.259 55.253 54.000 -0.011 0.000 0.827 191 D CB -0.111 40.689 40.800 -0.000 0.000 0.966 191 D HN 0.157 nan 8.370 nan 0.000 0.456 192 F N 1.028 120.893 119.950 -0.142 0.000 2.126 192 F HA -0.093 4.434 4.527 0.001 0.000 0.299 192 F C 2.296 178.026 175.800 -0.118 0.000 1.096 192 F CA 0.928 58.841 58.000 -0.144 0.000 1.255 192 F CB -0.643 38.227 39.000 -0.217 0.000 0.997 192 F HN 0.006 nan 8.300 nan 0.000 0.479 193 K N 0.320 120.770 120.400 0.083 0.000 2.097 193 K HA -0.139 4.181 4.320 0.001 0.000 0.205 193 K C 1.964 178.566 176.600 0.004 0.000 1.050 193 K CA 1.031 57.329 56.287 0.018 0.000 0.938 193 K CB -0.751 31.740 32.500 -0.015 0.000 0.718 193 K HN 0.430 nan 8.250 nan 0.000 0.442 194 Q N 0.223 120.024 119.800 0.003 0.000 2.123 194 Q HA -0.025 4.315 4.340 0.001 0.000 0.199 194 Q C 1.611 177.610 176.000 -0.000 0.000 0.966 194 Q CA 1.002 56.804 55.803 -0.003 0.000 0.845 194 Q CB -0.003 28.731 28.738 -0.007 0.000 0.907 194 Q HN 0.234 nan 8.270 nan 0.000 0.439 195 R N -0.351 120.153 120.500 0.005 0.000 2.356 195 R HA 0.112 4.453 4.340 0.001 0.000 0.234 195 R C 0.736 177.012 176.300 -0.039 0.000 0.929 195 R CA 0.493 56.584 56.100 -0.014 0.000 1.084 195 R CB 0.430 30.724 30.300 -0.011 0.000 1.105 195 R HN 0.354 nan 8.270 nan 0.000 0.515 196 G N 1.040 109.820 108.800 -0.033 0.000 2.155 196 G HA2 -0.271 3.689 3.960 0.001 0.000 0.257 196 G HA3 -0.271 3.689 3.960 0.001 0.000 0.257 196 G C 0.301 175.153 174.900 -0.079 0.000 0.983 196 G CA 0.132 45.207 45.100 -0.042 0.000 0.676 196 G HN 0.173 nan 8.290 nan 0.000 0.528 197 V N 2.624 122.452 119.914 -0.144 0.000 2.585 197 V HA 0.299 4.420 4.120 0.001 0.000 0.296 197 V C -0.893 175.101 176.094 -0.166 0.000 1.035 197 V CA -0.483 61.653 62.300 -0.274 0.000 1.084 197 V CB 1.035 32.425 31.823 -0.722 0.000 0.953 197 V HN 0.312 nan 8.190 nan 0.000 0.483 198 P HA 0.317 nan 4.420 nan 0.000 0.271 198 P C -0.660 176.654 177.300 0.025 0.000 1.380 198 P CA 0.284 63.386 63.100 0.003 0.000 0.992 198 P CB 0.620 32.356 31.700 0.060 0.000 1.230 199 I N 3.062 123.610 120.570 -0.037 0.000 2.534 199 I HA 0.251 4.422 4.170 0.001 0.000 0.288 199 I C -0.009 176.137 176.117 0.048 0.000 1.077 199 I CA -0.649 60.597 61.300 -0.090 0.000 1.051 199 I CB 2.348 40.147 38.000 -0.335 0.000 1.234 199 I HN 0.024 nan 8.210 nan 0.000 0.425 200 D N 5.862 126.342 120.400 0.134 0.000 2.388 200 D HA 0.159 4.800 4.640 0.001 0.000 0.208 200 D C 0.023 176.403 176.300 0.134 0.000 1.035 200 D CA 0.520 54.596 54.000 0.127 0.000 0.875 200 D CB 0.564 41.450 40.800 0.142 0.000 0.984 200 D HN 0.567 nan 8.370 nan 0.000 0.508 201 c N -0.750 117.946 118.600 0.159 0.000 3.239 201 c HA 0.790 5.361 4.570 0.001 0.000 0.317 201 c C -0.576 173.598 174.090 0.140 0.000 1.310 201 c CA -1.021 55.400 56.329 0.153 0.000 1.371 201 c CB 1.666 44.268 42.510 0.154 0.000 1.714 201 c HN -0.104 nan 8.230 nan 0.000 0.473 202 V N 1.435 121.405 119.914 0.094 0.000 2.444 202 V HA 0.773 4.893 4.120 0.001 0.000 0.294 202 V C 0.634 176.638 176.094 -0.151 0.000 1.022 202 V CA 0.184 62.443 62.300 -0.068 0.000 0.850 202 V CB 1.677 33.354 31.823 -0.243 0.000 0.992 202 V HN 1.340 nan 8.190 nan 0.000 0.426 203 G N 3.420 112.076 108.800 -0.239 0.000 2.332 203 G HA2 0.630 4.591 3.960 0.001 0.000 0.310 203 G HA3 0.630 4.591 3.960 0.001 0.000 0.310 203 G C -1.107 173.561 174.900 -0.387 0.000 1.123 203 G CA -0.258 44.739 45.100 -0.172 0.000 0.873 203 G HN 0.433 nan 8.290 nan 0.000 0.460 204 F N 1.362 121.271 119.950 -0.069 0.000 2.332 204 F HA 0.293 4.820 4.527 0.001 0.000 0.368 204 F C 1.670 177.388 175.800 -0.137 0.000 1.110 204 F CA -0.615 57.359 58.000 -0.043 0.000 1.087 204 F CB 1.925 41.018 39.000 0.156 0.000 1.235 204 F HN 0.543 nan 8.300 nan 0.000 0.470 205 Q N 1.286 121.007 119.800 -0.131 0.000 2.112 205 Q HA -0.188 4.152 4.340 0.001 0.000 0.206 205 Q C 0.660 176.343 176.000 -0.530 0.000 0.987 205 Q CA 1.666 57.249 55.803 -0.367 0.000 0.858 205 Q CB -0.141 28.409 28.738 -0.314 0.000 0.905 205 Q HN 0.770 nan 8.270 nan 0.000 0.420 206 S N 0.227 115.636 115.700 -0.484 0.000 3.797 206 S HA -0.113 4.357 4.470 0.001 0.000 0.374 206 S C -0.856 173.120 174.600 -1.041 0.000 0.970 206 S CA 0.052 57.689 58.200 -0.938 0.000 1.177 206 S CB -1.482 61.393 63.200 -0.542 0.000 0.891 206 S HN 0.400 nan 8.310 nan 0.000 0.491 207 H N 0.676 119.418 119.070 -0.546 0.000 2.872 207 H HA 0.365 4.921 4.556 0.001 0.000 0.273 207 H C -0.005 175.178 175.328 -0.241 0.000 1.205 207 H CA -0.112 55.796 56.048 -0.234 0.000 1.342 207 H CB -0.143 29.621 29.762 0.005 0.000 1.469 207 H HN 0.274 nan 8.280 nan 0.000 0.487 208 F N 2.975 123.012 119.950 0.146 0.000 2.404 208 F HA 0.222 4.749 4.527 0.001 0.000 0.339 208 F C 0.711 176.568 175.800 0.094 0.000 1.105 208 F CA -0.738 57.325 58.000 0.106 0.000 1.087 208 F CB 1.119 40.144 39.000 0.041 0.000 1.143 208 F HN 0.537 nan 8.300 nan 0.000 0.491 209 N N -2.121 116.756 118.700 0.296 0.000 3.020 209 N HA 0.191 4.931 4.740 0.001 0.000 0.248 209 N C 0.050 175.652 175.510 0.153 0.000 1.480 209 N CA -0.393 52.759 53.050 0.171 0.000 0.874 209 N CB 0.538 39.086 38.487 0.102 0.000 1.433 209 N HN 0.248 nan 8.380 nan 0.000 0.530 210 S N -2.063 113.698 115.700 0.102 0.000 2.469 210 S HA -0.022 4.449 4.470 0.001 0.000 0.238 210 S C 1.567 176.226 174.600 0.098 0.000 0.998 210 S CA 1.143 59.397 58.200 0.090 0.000 0.957 210 S CB -1.161 62.076 63.200 0.061 0.000 0.764 210 S HN 0.803 nan 8.310 nan 0.000 0.514 211 G N 0.062 108.919 108.800 0.095 0.000 2.494 211 G HA2 0.163 4.123 3.960 0.001 0.000 0.216 211 G HA3 0.163 4.123 3.960 0.001 0.000 0.216 211 G C 0.627 175.606 174.900 0.131 0.000 1.140 211 G CA 0.518 45.668 45.100 0.084 0.000 0.801 211 G HN 0.619 nan 8.290 nan 0.000 0.536 212 S N 1.414 117.238 115.700 0.207 0.000 2.317 212 S HA 0.443 4.913 4.470 0.001 0.000 0.144 212 S C -2.803 172.067 174.600 0.450 0.000 1.660 212 S CA -1.121 57.295 58.200 0.360 0.000 1.273 212 S CB 1.257 64.645 63.200 0.313 0.000 1.330 212 S HN 0.068 nan 8.310 nan 0.000 0.395 213 P HA 0.111 nan 4.420 nan 0.000 0.272 213 P C -0.529 176.805 177.300 0.055 0.000 1.230 213 P CA -0.360 62.864 63.100 0.206 0.000 0.788 213 P CB 0.402 32.171 31.700 0.116 0.000 0.949 214 Y N 2.498 122.553 120.300 -0.409 0.000 2.497 214 Y HA 0.185 4.735 4.550 0.001 0.000 0.334 214 Y C 0.054 175.705 175.900 -0.414 0.000 1.199 214 Y CA 0.305 57.851 58.100 -0.923 0.000 1.425 214 Y CB 0.279 38.070 38.460 -1.115 0.000 1.291 214 Y HN 0.351 nan 8.280 nan 0.000 0.562 215 N N 2.508 120.440 118.700 -1.280 0.000 2.249 215 N HA 0.081 4.822 4.740 0.001 0.000 0.296 215 N C 0.210 175.036 175.510 -1.139 0.000 1.051 215 N CA 0.212 52.727 53.050 -0.891 0.000 0.815 215 N CB 2.095 40.277 38.487 -0.509 0.000 1.487 215 N HN 0.814 nan 8.380 nan 0.000 0.475 216 S N 2.213 117.522 115.700 -0.652 0.000 2.465 216 S HA -0.207 4.263 4.470 0.001 0.000 0.241 216 S C 1.160 175.643 174.600 -0.196 0.000 1.000 216 S CA 1.264 59.277 58.200 -0.313 0.000 0.964 216 S CB -0.521 62.629 63.200 -0.083 0.000 0.763 216 S HN 0.768 nan 8.310 nan 0.000 0.512 217 N N 0.955 119.528 118.700 -0.211 0.000 2.571 217 N HA -0.041 4.700 4.740 0.001 0.000 0.189 217 N C 0.959 176.441 175.510 -0.047 0.000 1.154 217 N CA 0.265 53.243 53.050 -0.119 0.000 0.907 217 N CB -0.965 37.473 38.487 -0.083 0.000 0.977 217 N HN 0.429 nan 8.380 nan 0.000 0.449 218 F N 1.853 121.646 119.950 -0.262 0.000 2.171 218 F HA 0.030 4.557 4.527 0.001 0.000 0.300 218 F C 2.309 178.026 175.800 -0.139 0.000 1.090 218 F CA 0.946 58.842 58.000 -0.172 0.000 1.293 218 F CB -0.345 38.577 39.000 -0.129 0.000 1.013 218 F HN 0.106 nan 8.300 nan 0.000 0.486 219 R N -0.410 119.983 120.500 -0.179 0.000 2.096 219 R HA -0.141 4.199 4.340 0.001 0.000 0.235 219 R C 1.960 178.091 176.300 -0.282 0.000 1.127 219 R CA 2.008 57.935 56.100 -0.288 0.000 0.968 219 R CB -0.549 29.663 30.300 -0.147 0.000 0.861 219 R HN 0.280 nan 8.270 nan 0.000 0.440 220 T N -0.088 114.324 114.554 -0.237 0.000 2.777 220 T HA -0.093 4.258 4.350 0.001 0.000 0.266 220 T C 1.682 176.156 174.700 -0.377 0.000 1.040 220 T CA 1.792 63.699 62.100 -0.322 0.000 1.141 220 T CB -0.283 68.367 68.868 -0.363 0.000 0.868 220 T HN 0.365 nan 8.240 nan 0.000 0.444 221 T N 2.678 117.118 114.554 -0.190 0.000 2.708 221 T HA 0.014 4.364 4.350 0.001 0.000 0.266 221 T C 2.000 176.731 174.700 0.052 0.000 1.037 221 T CA 0.941 63.099 62.100 0.098 0.000 1.146 221 T CB -0.526 68.549 68.868 0.345 0.000 0.865 221 T HN 0.253 nan 8.240 nan 0.000 0.435 222 L N 0.701 121.728 121.223 -0.327 0.000 2.042 222 L HA -0.196 4.145 4.340 0.001 0.000 0.210 222 L C 2.888 179.689 176.870 -0.115 0.000 1.076 222 L CA 1.568 56.184 54.840 -0.373 0.000 0.749 222 L CB -0.647 41.042 42.059 -0.616 0.000 0.893 222 L HN 0.356 nan 8.230 nan 0.000 0.432 223 Q N -0.481 119.218 119.800 -0.168 0.000 2.119 223 Q HA -0.145 4.195 4.340 0.001 0.000 0.201 223 Q C 2.029 177.972 176.000 -0.094 0.000 0.972 223 Q CA 1.177 56.904 55.803 -0.127 0.000 0.847 223 Q CB -0.097 28.537 28.738 -0.173 0.000 0.903 223 Q HN 0.469 nan 8.270 nan 0.000 0.433 224 N N 0.188 118.782 118.700 -0.177 0.000 2.166 224 N HA -0.111 4.629 4.740 0.001 0.000 0.186 224 N C 1.379 176.931 175.510 0.071 0.000 1.019 224 N CA 1.129 54.052 53.050 -0.211 0.000 0.856 224 N CB -0.232 37.821 38.487 -0.724 0.000 0.993 224 N HN 0.166 nan 8.380 nan 0.000 0.426 225 F N 1.203 121.259 119.950 0.177 0.000 2.163 225 F HA 0.016 4.543 4.527 0.001 0.000 0.297 225 F C 2.352 178.236 175.800 0.141 0.000 1.094 225 F CA 0.929 59.093 58.000 0.274 0.000 1.290 225 F CB -0.516 38.708 39.000 0.374 0.000 1.017 225 F HN -0.002 nan 8.300 nan 0.000 0.483 226 A N -0.008 122.963 122.820 0.252 0.000 1.978 226 A HA -0.117 4.204 4.320 0.001 0.000 0.220 226 A C 2.321 179.955 177.584 0.083 0.000 1.170 226 A CA 1.631 53.748 52.037 0.133 0.000 0.636 226 A CB -1.248 17.787 19.000 0.058 0.000 0.810 226 A HN 0.304 nan 8.150 nan 0.000 0.448 227 A N -0.571 122.285 122.820 0.060 0.000 2.121 227 A HA 0.100 4.420 4.320 0.001 0.000 0.218 227 A C 1.898 179.502 177.584 0.034 0.000 1.154 227 A CA 1.097 53.151 52.037 0.028 0.000 0.679 227 A CB -0.475 18.526 19.000 0.001 0.000 0.795 227 A HN 0.486 nan 8.150 nan 0.000 0.458 228 L N -1.523 119.730 121.223 0.050 0.000 2.554 228 L HA 0.150 4.491 4.340 0.001 0.000 0.226 228 L C 1.598 178.482 176.870 0.023 0.000 1.137 228 L CA 0.631 55.476 54.840 0.009 0.000 0.863 228 L CB -0.172 41.860 42.059 -0.045 0.000 0.985 228 L HN 0.575 nan 8.230 nan 0.000 0.451 229 G N 0.674 109.502 108.800 0.047 0.000 2.131 229 G HA2 -0.198 3.762 3.960 0.001 0.000 0.201 229 G HA3 -0.198 3.762 3.960 0.001 0.000 0.201 229 G C 0.036 174.975 174.900 0.065 0.000 1.000 229 G CA 0.007 45.135 45.100 0.046 0.000 0.680 229 G HN 0.203 nan 8.290 nan 0.000 0.514 230 V N -2.901 117.071 119.914 0.098 0.000 2.864 230 V HA 0.876 4.997 4.120 0.001 0.000 0.314 230 V C -0.167 176.007 176.094 0.132 0.000 1.073 230 V CA -1.495 60.876 62.300 0.118 0.000 0.956 230 V CB 2.093 34.006 31.823 0.150 0.000 1.023 230 V HN 0.036 nan 8.190 nan 0.000 0.435 231 D N 1.428 121.903 120.400 0.125 0.000 2.354 231 D HA 0.602 5.243 4.640 0.001 0.000 0.247 231 D C -0.090 176.300 176.300 0.152 0.000 1.138 231 D CA 0.105 54.177 54.000 0.119 0.000 0.958 231 D CB 2.037 42.903 40.800 0.111 0.000 1.144 231 D HN 0.934 nan 8.370 nan 0.000 0.458 232 V N -2.803 117.193 119.914 0.138 0.000 2.876 232 V HA 0.943 5.063 4.120 0.001 0.000 0.312 232 V C -0.894 175.284 176.094 0.141 0.000 1.085 232 V CA -0.942 61.473 62.300 0.191 0.000 0.945 232 V CB 1.516 33.445 31.823 0.176 0.000 1.017 232 V HN 0.684 nan 8.190 nan 0.000 0.428 233 A N 3.868 126.810 122.820 0.205 0.000 2.520 233 A HA 0.859 5.180 4.320 0.001 0.000 0.298 233 A C -0.956 176.743 177.584 0.192 0.000 1.051 233 A CA -0.693 51.429 52.037 0.142 0.000 0.690 233 A CB 1.588 20.687 19.000 0.164 0.000 1.281 233 A HN 0.969 nan 8.150 nan 0.000 0.402 234 I N 2.761 123.398 120.570 0.112 0.000 2.291 234 I HA 0.199 4.370 4.170 0.001 0.000 0.292 234 I C 1.516 177.658 176.117 0.043 0.000 1.064 234 I CA 0.063 61.442 61.300 0.131 0.000 1.269 234 I CB 1.482 39.556 38.000 0.124 0.000 1.418 234 I HN 0.909 nan 8.210 nan 0.000 0.485 235 T N 0.892 115.438 114.554 -0.013 0.000 3.040 235 T HA 0.154 4.505 4.350 0.001 0.000 0.252 235 T C 0.835 175.434 174.700 -0.168 0.000 1.064 235 T CA 0.347 62.398 62.100 -0.081 0.000 1.110 235 T CB 0.092 68.870 68.868 -0.150 0.000 0.921 235 T HN 0.582 nan 8.240 nan 0.000 0.480 236 E N 0.904 120.904 120.200 -0.333 0.000 3.843 236 E HA 0.318 4.668 4.350 0.001 0.000 0.189 236 E C -1.020 175.355 176.600 -0.375 0.000 1.013 236 E CA -0.487 55.635 56.400 -0.463 0.000 1.395 236 E CB 0.698 29.667 29.700 -1.219 0.000 1.136 236 E HN 0.236 nan 8.360 nan 0.000 0.444 237 L N 2.993 124.140 121.223 -0.126 0.000 2.559 237 L HA 0.082 4.422 4.340 0.001 0.000 0.274 237 L C -0.709 176.274 176.870 0.188 0.000 1.205 237 L CA 0.757 55.579 54.840 -0.030 0.000 0.907 237 L CB 0.062 42.174 42.059 0.089 0.000 1.153 237 L HN 0.151 nan 8.230 nan 0.000 0.490 238 D N 4.184 124.690 120.400 0.177 0.000 2.886 238 D HA 0.451 5.092 4.640 0.001 0.000 0.216 238 D C -1.006 175.419 176.300 0.209 0.000 1.256 238 D CA -0.332 53.864 54.000 0.326 0.000 0.844 238 D CB 0.491 41.589 40.800 0.496 0.000 1.669 238 D HN 0.399 nan 8.370 nan 0.000 0.513 239 I N 0.913 121.574 120.570 0.151 0.000 2.439 239 I HA 0.242 4.412 4.170 0.001 0.000 0.285 239 I C 0.016 176.219 176.117 0.143 0.000 1.021 239 I CA -0.974 60.382 61.300 0.094 0.000 1.091 239 I CB 2.015 39.904 38.000 -0.185 0.000 1.242 239 I HN 0.391 nan 8.210 nan 0.000 0.439 240 Q N 5.117 125.000 119.800 0.138 0.000 2.262 240 Q HA 0.117 4.458 4.340 0.001 0.000 0.298 240 Q C 1.165 177.221 176.000 0.093 0.000 1.083 240 Q CA 1.505 57.371 55.803 0.105 0.000 0.962 240 Q CB 0.358 29.145 28.738 0.082 0.000 1.104 240 Q HN 1.026 nan 8.270 nan 0.000 0.376 241 G N 3.183 112.040 108.800 0.094 0.000 2.241 241 G HA2 -0.338 3.623 3.960 0.001 0.000 0.244 241 G HA3 -0.338 3.623 3.960 0.001 0.000 0.244 241 G C 0.508 175.472 174.900 0.108 0.000 0.998 241 G CA 0.141 45.288 45.100 0.078 0.000 0.621 241 G HN 1.869 nan 8.290 nan 0.000 0.519 242 A N -0.897 122.027 122.820 0.173 0.000 2.640 242 A HA 0.080 4.400 4.320 0.001 0.000 0.300 242 A C 1.261 178.992 177.584 0.245 0.000 1.499 242 A CA 1.868 54.093 52.037 0.314 0.000 0.759 242 A CB -1.955 17.218 19.000 0.289 0.000 1.048 242 A HN 2.469 nan 8.150 nan 0.000 0.450 243 S N -0.057 115.725 115.700 0.137 0.000 2.546 243 S HA 0.320 4.791 4.470 0.001 0.000 0.290 243 S C 1.578 176.246 174.600 0.113 0.000 1.290 243 S CA 0.422 58.664 58.200 0.069 0.000 1.069 243 S CB 0.540 63.746 63.200 0.010 0.000 0.846 243 S HN 1.028 nan 8.310 nan 0.000 0.495 244 S N 4.227 119.954 115.700 0.045 0.000 2.370 244 S HA -0.100 4.371 4.470 0.001 0.000 0.226 244 S C 2.202 176.826 174.600 0.041 0.000 1.033 244 S CA 1.669 59.896 58.200 0.045 0.000 1.011 244 S CB -0.466 62.711 63.200 -0.039 0.000 0.852 244 S HN 0.805 nan 8.310 nan 0.000 0.457 245 S N 1.164 116.861 115.700 -0.005 0.000 2.368 245 S HA -0.098 4.373 4.470 0.001 0.000 0.225 245 S C 2.148 176.699 174.600 -0.081 0.000 1.030 245 S CA 1.581 59.766 58.200 -0.025 0.000 0.999 245 S CB -0.665 62.519 63.200 -0.026 0.000 0.844 245 S HN 0.601 nan 8.310 nan 0.000 0.459 246 T N 0.761 115.241 114.554 -0.122 0.000 2.777 246 T HA -0.059 4.291 4.350 0.001 0.000 0.266 246 T C 1.527 176.034 174.700 -0.323 0.000 1.040 246 T CA 1.130 63.036 62.100 -0.324 0.000 1.141 246 T CB -0.441 68.246 68.868 -0.301 0.000 0.868 246 T HN 0.336 nan 8.240 nan 0.000 0.444 247 Y N 1.590 121.811 120.300 -0.132 0.000 2.181 247 Y HA -0.026 4.525 4.550 0.001 0.000 0.288 247 Y C 2.680 178.543 175.900 -0.063 0.000 1.146 247 Y CA 0.700 58.767 58.100 -0.055 0.000 1.164 247 Y CB -0.719 37.741 38.460 0.000 0.000 0.982 247 Y HN 0.208 nan 8.280 nan 0.000 0.515 248 A N -0.487 122.382 122.820 0.083 0.000 1.930 248 A HA -0.067 4.254 4.320 0.001 0.000 0.217 248 A C 2.428 179.998 177.584 -0.024 0.000 1.175 248 A CA 1.564 53.619 52.037 0.030 0.000 0.627 248 A CB -1.195 17.813 19.000 0.014 0.000 0.815 248 A HN 0.401 nan 8.150 nan 0.000 0.443 249 A N -0.432 122.314 122.820 -0.123 0.000 1.877 249 A HA -0.020 4.301 4.320 0.001 0.000 0.216 249 A C 2.222 179.722 177.584 -0.141 0.000 1.186 249 A CA 1.831 53.767 52.037 -0.169 0.000 0.620 249 A CB -0.974 17.814 19.000 -0.353 0.000 0.822 249 A HN 0.385 nan 8.150 nan 0.000 0.443 250 V N -0.184 119.588 119.914 -0.236 0.000 2.343 250 V HA -0.235 3.885 4.120 0.001 0.000 0.247 250 V C 2.749 178.908 176.094 0.108 0.000 1.051 250 V CA 2.484 64.793 62.300 0.017 0.000 1.036 250 V CB -1.312 30.534 31.823 0.039 0.000 0.654 250 V HN 0.617 nan 8.190 nan 0.000 0.451 251 T N 0.272 114.886 114.554 0.101 0.000 2.708 251 T HA -0.180 4.170 4.350 0.001 0.000 0.266 251 T C 1.842 176.577 174.700 0.058 0.000 1.037 251 T CA 1.653 63.826 62.100 0.121 0.000 1.146 251 T CB -0.387 68.567 68.868 0.143 0.000 0.865 251 T HN 0.419 nan 8.240 nan 0.000 0.435 252 N N 1.226 119.945 118.700 0.032 0.000 2.244 252 N HA -0.087 4.653 4.740 0.001 0.000 0.183 252 N C 1.499 177.007 175.510 -0.003 0.000 1.016 252 N CA 0.906 53.962 53.050 0.011 0.000 0.866 252 N CB -0.350 38.141 38.487 0.007 0.000 0.980 252 N HN 0.379 nan 8.380 nan 0.000 0.430 253 D N 0.282 120.687 120.400 0.008 0.000 2.117 253 D HA -0.109 4.531 4.640 0.001 0.000 0.197 253 D C 2.024 178.259 176.300 -0.108 0.000 0.987 253 D CA 0.536 54.509 54.000 -0.045 0.000 0.829 253 D CB -0.494 40.293 40.800 -0.021 0.000 0.961 253 D HN 0.214 nan 8.370 nan 0.000 0.460 254 c N 0.450 119.004 118.600 -0.076 0.000 2.446 254 c HA -0.013 4.558 4.570 0.001 0.000 0.277 254 c C 2.767 176.814 174.090 -0.071 0.000 1.275 254 c CA 0.219 56.490 56.329 -0.096 0.000 1.727 254 c CB -1.217 41.257 42.510 -0.061 0.000 2.010 254 c HN 0.277 nan 8.230 nan 0.000 0.486 255 L N 1.154 122.354 121.223 -0.039 0.000 2.191 255 L HA -0.051 4.289 4.340 0.001 0.000 0.212 255 L C 2.742 179.589 176.870 -0.039 0.000 1.103 255 L CA 1.401 56.223 54.840 -0.030 0.000 0.769 255 L CB -0.596 41.456 42.059 -0.012 0.000 0.908 255 L HN 0.444 nan 8.230 nan 0.000 0.438 256 A N -0.735 122.054 122.820 -0.051 0.000 2.238 256 A HA 0.201 4.522 4.320 0.001 0.000 0.208 256 A C 0.729 178.271 177.584 -0.069 0.000 1.177 256 A CA 0.223 52.227 52.037 -0.056 0.000 0.804 256 A CB -0.023 18.942 19.000 -0.059 0.000 0.823 256 A HN 0.132 nan 8.150 nan 0.000 0.482 257 V N 1.208 121.074 119.914 -0.079 0.000 2.376 257 V HA 0.149 4.270 4.120 0.001 0.000 0.287 257 V C 1.391 177.452 176.094 -0.055 0.000 1.015 257 V CA 0.170 62.422 62.300 -0.081 0.000 0.834 257 V CB 1.020 32.770 31.823 -0.121 0.000 1.001 257 V HN 0.562 nan 8.190 nan 0.000 0.428 258 S N 4.430 120.108 115.700 -0.037 0.000 2.419 258 S HA -0.142 4.329 4.470 0.001 0.000 0.235 258 S C 1.506 176.099 174.600 -0.010 0.000 1.019 258 S CA 0.920 59.108 58.200 -0.020 0.000 0.982 258 S CB -0.181 63.011 63.200 -0.012 0.000 0.789 258 S HN 0.660 nan 8.310 nan 0.000 0.490 259 R N 0.163 120.658 120.500 -0.007 0.000 2.310 259 R HA 0.208 4.548 4.340 0.001 0.000 0.202 259 R C 0.220 176.525 176.300 0.009 0.000 0.933 259 R CA 0.035 56.144 56.100 0.015 0.000 1.054 259 R CB -0.910 29.411 30.300 0.035 0.000 0.985 259 R HN 0.487 nan 8.270 nan 0.000 0.489 260 c N 2.053 120.636 118.600 -0.029 0.000 2.383 260 c HA 0.216 4.786 4.570 0.001 0.000 0.350 260 c C 2.029 176.078 174.090 -0.070 0.000 1.173 260 c CA -0.621 55.675 56.329 -0.055 0.000 1.645 260 c CB -1.259 41.191 42.510 -0.100 0.000 2.221 260 c HN 0.453 nan 8.230 nan 0.000 0.528 261 L N 5.242 126.438 121.223 -0.046 0.000 2.131 261 L HA 0.203 4.543 4.340 0.001 0.000 0.210 261 L C 1.579 178.212 176.870 -0.396 0.000 1.092 261 L CA 1.288 56.093 54.840 -0.059 0.000 0.759 261 L CB -0.687 41.452 42.059 0.134 0.000 0.903 261 L HN 0.926 nan 8.230 nan 0.000 0.435 262 G N -0.883 107.558 108.800 -0.599 0.000 2.315 262 G HA2 0.382 4.342 3.960 0.001 0.000 0.294 262 G HA3 0.382 4.342 3.960 0.001 0.000 0.294 262 G C -1.803 172.684 174.900 -0.689 0.000 1.300 262 G CA -0.798 43.675 45.100 -1.046 0.000 0.843 262 G HN -0.100 nan 8.290 nan 0.000 0.527 263 I N 0.317 120.510 120.570 -0.628 0.000 2.545 263 I HA 0.559 4.729 4.170 0.001 0.000 0.292 263 I C -0.428 175.424 176.117 -0.441 0.000 1.040 263 I CA -0.685 60.354 61.300 -0.435 0.000 1.068 263 I CB 2.711 40.415 38.000 -0.492 0.000 1.251 263 I HN 0.377 nan 8.210 nan 0.000 0.424 264 T N 5.169 119.622 114.554 -0.168 0.000 2.812 264 T HA 0.443 4.793 4.350 0.001 0.000 0.282 264 T C -0.361 174.341 174.700 0.004 0.000 0.990 264 T CA -0.531 61.535 62.100 -0.056 0.000 0.960 264 T CB 1.571 70.493 68.868 0.091 0.000 0.948 264 T HN 0.362 nan 8.240 nan 0.000 0.438 265 V N 1.286 121.239 119.914 0.064 0.000 2.567 265 V HA 0.464 4.585 4.120 0.001 0.000 0.289 265 V C 0.302 176.546 176.094 0.250 0.000 1.049 265 V CA -1.127 61.321 62.300 0.246 0.000 0.969 265 V CB 1.250 33.323 31.823 0.417 0.000 0.995 265 V HN 1.006 nan 8.190 nan 0.000 0.471 266 W N 5.084 126.418 121.300 0.055 0.000 1.303 266 W HA 0.534 5.194 4.660 0.001 0.000 0.478 266 W C 0.587 177.150 176.519 0.072 0.000 0.604 266 W CA 0.664 58.019 57.345 0.016 0.000 2.319 266 W CB -0.030 29.458 29.460 0.047 0.000 1.443 266 W HN 1.211 nan 8.180 nan 0.000 0.249 267 G N 0.012 108.749 108.800 -0.106 0.000 2.334 267 G HA2 -0.076 3.885 3.960 0.001 0.000 0.566 267 G HA3 -0.076 3.885 3.960 0.001 0.000 0.566 267 G C -0.604 174.307 174.900 0.019 0.000 1.413 267 G CA -0.663 44.389 45.100 -0.081 0.000 0.993 267 G HN 0.032 nan 8.290 nan 0.000 0.642 268 V N 0.439 120.384 119.914 0.052 0.000 2.423 268 V HA 0.300 4.421 4.120 0.001 0.000 0.233 268 V C 1.547 177.797 176.094 0.259 0.000 1.067 268 V CA 1.487 63.848 62.300 0.102 0.000 1.073 268 V CB -0.449 31.286 31.823 -0.147 0.000 0.715 268 V HN 0.691 nan 8.190 nan 0.000 0.485 269 R N 0.595 121.224 120.500 0.215 0.000 2.643 269 R HA 0.285 4.626 4.340 0.001 0.000 0.272 269 R C 0.705 177.130 176.300 0.208 0.000 0.995 269 R CA -0.616 55.625 56.100 0.235 0.000 1.032 269 R CB 0.783 31.189 30.300 0.176 0.000 1.126 269 R HN 0.193 nan 8.270 nan 0.000 0.505 270 D N 0.701 121.217 120.400 0.194 0.000 2.158 270 D HA -0.171 4.469 4.640 0.001 0.000 0.197 270 D C 1.637 178.019 176.300 0.137 0.000 0.995 270 D CA 2.187 56.286 54.000 0.166 0.000 0.846 270 D CB -0.159 40.720 40.800 0.132 0.000 0.941 270 D HN 0.693 nan 8.370 nan 0.000 0.456 271 T N -1.834 112.788 114.554 0.115 0.000 3.051 271 T HA -0.081 4.269 4.350 0.001 0.000 0.269 271 T C 1.125 175.874 174.700 0.082 0.000 1.127 271 T CA 0.716 62.867 62.100 0.085 0.000 1.107 271 T CB 0.093 69.000 68.868 0.065 0.000 0.898 271 T HN -0.014 nan 8.240 nan 0.000 0.517 272 D N 1.151 121.617 120.400 0.110 0.000 2.367 272 D HA 0.133 4.774 4.640 0.001 0.000 0.207 272 D C 0.929 177.298 176.300 0.115 0.000 1.034 272 D CA 0.146 54.199 54.000 0.088 0.000 0.861 272 D CB 0.226 41.109 40.800 0.139 0.000 0.943 272 D HN 0.442 nan 8.370 nan 0.000 0.515 273 S N 1.102 116.908 115.700 0.176 0.000 2.576 273 S HA 0.024 4.494 4.470 0.001 0.000 0.276 273 S C 1.228 176.030 174.600 0.337 0.000 1.339 273 S CA -0.768 57.608 58.200 0.293 0.000 1.039 273 S CB 0.580 63.967 63.200 0.312 0.000 0.902 273 S HN 0.334 nan 8.310 nan 0.000 0.516 274 W N 4.792 126.165 121.300 0.121 0.000 2.825 274 W HA 0.201 4.862 4.660 0.001 0.000 0.243 274 W C 0.281 176.845 176.519 0.074 0.000 1.293 274 W CA -0.150 57.255 57.345 0.102 0.000 1.403 274 W CB -0.869 28.683 29.460 0.153 0.000 1.134 274 W HN 0.648 nan 8.180 nan 0.000 0.666 275 R N 1.231 121.659 120.500 -0.120 0.000 2.718 275 R HA 0.065 4.405 4.340 0.001 0.000 0.307 275 R C 1.661 177.937 176.300 -0.040 0.000 1.244 275 R CA 0.535 56.472 56.100 -0.271 0.000 1.348 275 R CB 0.287 30.279 30.300 -0.513 0.000 1.304 275 R HN 0.056 nan 8.270 nan 0.000 0.663 276 S N -0.813 114.905 115.700 0.029 0.000 2.420 276 S HA -0.164 4.307 4.470 0.001 0.000 0.237 276 S C 1.987 176.609 174.600 0.036 0.000 1.023 276 S CA 1.423 59.659 58.200 0.060 0.000 0.991 276 S CB -0.210 63.027 63.200 0.062 0.000 0.792 276 S HN 0.543 nan 8.310 nan 0.000 0.488 277 G N 1.489 110.290 108.800 0.002 0.000 2.470 277 G HA2 -0.125 3.835 3.960 0.001 0.000 0.220 277 G HA3 -0.125 3.835 3.960 0.001 0.000 0.220 277 G C 0.969 175.875 174.900 0.009 0.000 1.121 277 G CA 0.896 45.997 45.100 0.001 0.000 0.766 277 G HN 0.561 nan 8.290 nan 0.000 0.553 278 D N 0.606 121.011 120.400 0.008 0.000 2.339 278 D HA 0.029 4.670 4.640 0.001 0.000 0.217 278 D C 1.382 177.723 176.300 0.069 0.000 1.050 278 D CA 1.065 55.082 54.000 0.029 0.000 0.856 278 D CB -0.250 40.560 40.800 0.016 0.000 0.922 278 D HN 0.379 nan 8.370 nan 0.000 0.518 279 T N -0.081 114.519 114.554 0.077 0.000 3.290 279 T HA -0.148 4.203 4.350 0.001 0.000 0.422 279 T C -1.813 172.974 174.700 0.145 0.000 0.771 279 T CA 0.154 62.315 62.100 0.101 0.000 2.100 279 T CB -1.103 67.808 68.868 0.071 0.000 1.676 279 T HN 0.156 nan 8.240 nan 0.000 0.613 280 P HA 0.360 nan 4.420 nan 0.000 0.261 280 P C 0.650 178.180 177.300 0.384 0.000 1.268 280 P CA -0.281 62.980 63.100 0.267 0.000 0.833 280 P CB 0.441 32.291 31.700 0.250 0.000 1.231 281 L N -0.915 120.497 121.223 0.316 0.000 2.421 281 L HA 0.385 4.725 4.340 0.001 0.000 0.267 281 L C 1.985 178.953 176.870 0.163 0.000 1.036 281 L CA -1.092 53.941 54.840 0.322 0.000 0.829 281 L CB 0.578 42.827 42.059 0.317 0.000 1.437 281 L HN -0.276 nan 8.230 nan 0.000 0.488 282 L N -0.627 120.661 121.223 0.109 0.000 2.446 282 L HA 0.161 4.502 4.340 0.001 0.000 0.219 282 L C -0.389 176.309 176.870 -0.286 0.000 1.116 282 L CA 0.546 55.297 54.840 -0.148 0.000 0.844 282 L CB 0.048 41.998 42.059 -0.182 0.000 0.970 282 L HN 0.238 nan 8.230 nan 0.000 0.457 283 F N 0.102 120.106 119.950 0.091 0.000 2.532 283 F HA 0.302 4.830 4.527 0.001 0.000 0.321 283 F C 0.389 176.216 175.800 0.045 0.000 1.089 283 F CA -1.432 56.591 58.000 0.039 0.000 0.926 283 F CB 1.059 40.083 39.000 0.039 0.000 1.168 283 F HN -0.072 nan 8.300 nan 0.000 0.459 284 N N 0.132 118.940 118.700 0.181 0.000 2.418 284 N HA 0.351 5.091 4.740 0.001 0.000 0.283 284 N C 1.184 176.765 175.510 0.118 0.000 1.267 284 N CA -0.241 52.878 53.050 0.115 0.000 0.975 284 N CB 0.007 38.522 38.487 0.047 0.000 1.167 284 N HN 0.637 nan 8.380 nan 0.000 0.581 285 G N -0.970 107.879 108.800 0.082 0.000 2.475 285 G HA2 -0.275 3.685 3.960 0.001 0.000 0.220 285 G HA3 -0.275 3.685 3.960 0.001 0.000 0.220 285 G C 0.638 175.572 174.900 0.057 0.000 1.125 285 G CA 0.837 45.979 45.100 0.070 0.000 0.755 285 G HN 0.694 nan 8.290 nan 0.000 0.565 286 D N 0.436 120.864 120.400 0.046 0.000 2.371 286 D HA 0.097 4.738 4.640 0.001 0.000 0.221 286 D C 2.089 178.411 176.300 0.037 0.000 0.986 286 D CA 1.028 55.046 54.000 0.030 0.000 0.899 286 D CB -0.123 40.684 40.800 0.012 0.000 0.902 286 D HN 0.441 nan 8.370 nan 0.000 0.530 287 G N 1.124 109.965 108.800 0.069 0.000 2.159 287 G HA2 -0.280 3.680 3.960 0.001 0.000 0.256 287 G HA3 -0.280 3.680 3.960 0.001 0.000 0.256 287 G C 0.442 175.422 174.900 0.133 0.000 0.977 287 G CA 0.575 45.714 45.100 0.065 0.000 0.652 287 G HN 0.478 nan 8.290 nan 0.000 0.531 288 S N -0.369 115.402 115.700 0.118 0.000 2.586 288 S HA 0.669 5.139 4.470 0.001 0.000 0.274 288 S C 0.244 174.888 174.600 0.073 0.000 1.281 288 S CA -0.562 57.684 58.200 0.078 0.000 1.035 288 S CB 1.744 64.939 63.200 -0.008 0.000 0.962 288 S HN 0.433 nan 8.310 nan 0.000 0.512 289 K N 1.807 122.150 120.400 -0.094 0.000 2.448 289 K HA 0.162 4.482 4.320 0.001 0.000 0.278 289 K C 0.141 176.591 176.600 -0.251 0.000 1.009 289 K CA 0.100 56.131 56.287 -0.427 0.000 0.995 289 K CB 0.407 32.511 32.500 -0.659 0.000 0.917 289 K HN 0.542 nan 8.250 nan 0.000 0.481 290 K N 0.804 121.054 120.400 -0.251 0.000 2.148 290 K HA 0.239 4.559 4.320 0.001 0.000 0.239 290 K C 1.165 177.722 176.600 -0.072 0.000 1.018 290 K CA -0.361 55.849 56.287 -0.128 0.000 0.923 290 K CB 0.935 33.372 32.500 -0.104 0.000 1.117 290 K HN 0.611 nan 8.250 nan 0.000 0.477 291 A N 0.972 123.772 122.820 -0.034 0.000 1.940 291 A HA -0.216 4.105 4.320 0.001 0.000 0.219 291 A C 2.139 179.724 177.584 0.001 0.000 1.176 291 A CA 2.317 54.369 52.037 0.025 0.000 0.631 291 A CB -1.017 17.985 19.000 0.004 0.000 0.814 291 A HN 0.773 nan 8.150 nan 0.000 0.446 292 A N -1.692 121.096 122.820 -0.054 0.000 2.019 292 A HA -0.083 4.237 4.320 0.001 0.000 0.219 292 A C 2.044 179.501 177.584 -0.212 0.000 1.164 292 A CA 1.587 53.558 52.037 -0.110 0.000 0.644 292 A CB -0.733 18.172 19.000 -0.158 0.000 0.805 292 A HN 0.769 nan 8.150 nan 0.000 0.449 293 Y N 1.258 121.358 120.300 -0.334 0.000 2.097 293 Y HA -0.219 4.331 4.550 0.001 0.000 0.282 293 Y C 2.600 178.342 175.900 -0.262 0.000 1.152 293 Y CA 2.494 60.355 58.100 -0.399 0.000 1.136 293 Y CB -0.760 37.378 38.460 -0.536 0.000 0.975 293 Y HN 0.297 nan 8.280 nan 0.000 0.498 294 T N 0.833 115.408 114.554 0.035 0.000 2.759 294 T HA -0.210 4.140 4.350 0.001 0.000 0.269 294 T C 2.085 176.735 174.700 -0.083 0.000 1.042 294 T CA 1.433 63.541 62.100 0.013 0.000 1.140 294 T CB -0.789 68.139 68.868 0.101 0.000 0.864 294 T HN 0.517 nan 8.240 nan 0.000 0.455 295 A N 0.850 123.634 122.820 -0.059 0.000 1.933 295 A HA -0.028 4.292 4.320 0.001 0.000 0.218 295 A C 2.577 180.104 177.584 -0.095 0.000 1.175 295 A CA 1.246 53.261 52.037 -0.036 0.000 0.628 295 A CB -0.892 18.113 19.000 0.008 0.000 0.814 295 A HN 0.367 nan 8.150 nan 0.000 0.444 296 V N -0.423 119.373 119.914 -0.197 0.000 2.307 296 V HA -0.202 3.919 4.120 0.001 0.000 0.245 296 V C 2.470 178.389 176.094 -0.292 0.000 1.045 296 V CA 1.843 64.010 62.300 -0.221 0.000 1.024 296 V CB -0.746 30.870 31.823 -0.345 0.000 0.651 296 V HN 0.581 nan 8.190 nan 0.000 0.449 297 L N 0.922 121.879 121.223 -0.443 0.000 2.012 297 L HA -0.170 4.170 4.340 0.001 0.000 0.210 297 L C 2.219 178.978 176.870 -0.185 0.000 1.073 297 L CA 2.035 56.650 54.840 -0.375 0.000 0.748 297 L CB -0.917 40.889 42.059 -0.422 0.000 0.891 297 L HN 0.314 nan 8.230 nan 0.000 0.431 298 N N 0.109 118.729 118.700 -0.132 0.000 2.166 298 N HA -0.148 4.593 4.740 0.001 0.000 0.186 298 N C 1.824 177.302 175.510 -0.053 0.000 1.019 298 N CA 1.543 54.553 53.050 -0.067 0.000 0.856 298 N CB -0.561 37.905 38.487 -0.034 0.000 0.993 298 N HN 0.546 nan 8.380 nan 0.000 0.426 299 A N 1.111 123.897 122.820 -0.057 0.000 1.877 299 A HA -0.038 4.283 4.320 0.001 0.000 0.216 299 A C 2.343 179.909 177.584 -0.029 0.000 1.186 299 A CA 0.916 52.935 52.037 -0.030 0.000 0.620 299 A CB -0.770 18.222 19.000 -0.013 0.000 0.822 299 A HN 0.222 nan 8.150 nan 0.000 0.443 300 L N -0.198 120.995 121.223 -0.050 0.000 2.131 300 L HA -0.139 4.202 4.340 0.001 0.000 0.210 300 L C 1.309 178.159 176.870 -0.034 0.000 1.092 300 L CA 0.836 55.654 54.840 -0.035 0.000 0.759 300 L CB -0.483 41.538 42.059 -0.064 0.000 0.903 300 L HN 0.335 nan 8.230 nan 0.000 0.435 301 N N 0.606 119.278 118.700 -0.046 0.000 2.421 301 N HA 0.118 4.859 4.740 0.001 0.000 0.201 301 N C 0.317 175.814 175.510 -0.022 0.000 1.198 301 N CA 0.773 53.803 53.050 -0.033 0.000 0.838 301 N CB 0.494 38.958 38.487 -0.039 0.000 1.011 301 N HN 0.355 nan 8.380 nan 0.000 0.463 302 G N -0.941 107.848 108.800 -0.019 0.000 3.367 302 G HA2 0.396 4.357 3.960 0.001 0.000 0.686 302 G HA3 0.396 4.357 3.960 0.001 0.000 0.686 302 G C -0.057 174.836 174.900 -0.012 0.000 1.146 302 G CA -0.329 44.764 45.100 -0.013 0.000 0.913 302 G HN 0.526 nan 8.290 nan 0.000 0.554 314 Q N -0.782 119.071 119.800 0.089 0.000 2.260 314 Q HA 0.605 4.946 4.340 0.001 0.000 0.238 314 Q C -0.373 175.684 176.000 0.095 0.000 0.948 314 Q CA -0.247 55.633 55.803 0.128 0.000 0.895 314 Q CB 2.133 30.924 28.738 0.089 0.000 1.218 314 Q HN 0.421 nan 8.270 nan 0.000 0.470 315 I N 1.924 122.540 120.570 0.077 0.000 2.420 315 I HA 0.281 4.451 4.170 0.001 0.000 0.282 315 I C -0.481 175.701 176.117 0.110 0.000 1.019 315 I CA -0.436 60.852 61.300 -0.019 0.000 1.130 315 I CB 1.237 39.040 38.000 -0.328 0.000 1.262 315 I HN 0.333 nan 8.210 nan 0.000 0.454 316 K N 4.772 125.271 120.400 0.166 0.000 2.185 316 K HA 0.551 4.872 4.320 0.001 0.000 0.269 316 K C 0.199 176.927 176.600 0.213 0.000 0.987 316 K CA -0.494 55.902 56.287 0.182 0.000 0.865 316 K CB 1.568 34.121 32.500 0.090 0.000 1.090 316 K HN 0.722 nan 8.250 nan 0.000 0.450 317 G N 2.237 111.122 108.800 0.142 0.000 2.378 317 G HA2 0.109 4.069 3.960 0.001 0.000 0.255 317 G HA3 0.109 4.069 3.960 0.001 0.000 0.255 317 G C 0.930 175.675 174.900 -0.257 0.000 1.270 317 G CA -0.650 44.265 45.100 -0.308 0.000 0.876 317 G HN 0.505 nan 8.290 nan 0.000 0.521 318 V N 3.523 123.229 119.914 -0.347 0.000 2.307 318 V HA -0.109 4.011 4.120 0.001 0.000 0.245 318 V C 2.948 178.924 176.094 -0.196 0.000 1.045 318 V CA 2.490 64.659 62.300 -0.219 0.000 1.024 318 V CB -0.842 30.852 31.823 -0.215 0.000 0.651 318 V HN 0.795 nan 8.190 nan 0.000 0.449 319 G N -0.398 108.251 108.800 -0.252 0.000 2.484 319 G HA2 -0.175 3.785 3.960 0.001 0.000 0.218 319 G HA3 -0.175 3.785 3.960 0.001 0.000 0.218 319 G C 1.701 176.513 174.900 -0.146 0.000 1.130 319 G CA 1.260 46.248 45.100 -0.187 0.000 0.784 319 G HN 0.653 nan 8.290 nan 0.000 0.543 320 S N -1.635 113.972 115.700 -0.155 0.000 2.506 320 S HA 0.374 4.845 4.470 0.001 0.000 0.219 320 S C 1.915 176.473 174.600 -0.069 0.000 1.031 320 S CA 1.081 59.222 58.200 -0.099 0.000 0.911 320 S CB 0.231 63.380 63.200 -0.085 0.000 0.812 320 S HN 1.408 nan 8.310 nan 0.000 0.497 321 G N 1.685 110.443 108.800 -0.070 0.000 2.168 321 G HA2 -0.275 3.686 3.960 0.001 0.000 0.263 321 G HA3 -0.275 3.686 3.960 0.001 0.000 0.263 321 G C 0.144 175.040 174.900 -0.007 0.000 0.977 321 G CA 0.414 45.492 45.100 -0.037 0.000 0.659 321 G HN 0.604 nan 8.290 nan 0.000 0.533 322 R N -1.235 119.269 120.500 0.006 0.000 2.758 322 R HA 0.671 5.012 4.340 0.001 0.000 0.265 322 R C -0.121 176.250 176.300 0.119 0.000 1.016 322 R CA -0.352 55.777 56.100 0.048 0.000 1.040 322 R CB 1.248 31.567 30.300 0.033 0.000 1.152 322 R HN 0.201 nan 8.270 nan 0.000 0.503 323 c N 1.354 120.049 118.600 0.158 0.000 2.365 323 c HA 0.326 4.897 4.570 0.001 0.000 0.349 323 c C -0.080 174.135 174.090 0.209 0.000 1.191 323 c CA -0.748 55.695 56.329 0.189 0.000 2.114 323 c CB 0.798 43.412 42.510 0.173 0.000 2.367 323 c HN 0.597 nan 8.230 nan 0.000 0.530 324 L N 3.836 125.144 121.223 0.141 0.000 2.534 324 L HA 0.230 4.570 4.340 0.001 0.000 0.271 324 L C 0.077 177.122 176.870 0.291 0.000 1.178 324 L CA 1.317 56.178 54.840 0.036 0.000 0.907 324 L CB -0.246 41.545 42.059 -0.447 0.000 1.164 324 L HN 0.680 nan 8.230 nan 0.000 0.482 325 D N 3.788 124.346 120.400 0.263 0.000 2.819 325 D HA 0.260 4.901 4.640 0.001 0.000 0.232 325 D C -1.413 175.012 176.300 0.209 0.000 1.160 325 D CA -0.458 53.694 54.000 0.254 0.000 0.858 325 D CB 2.349 43.290 40.800 0.236 0.000 1.610 325 D HN 0.222 nan 8.370 nan 0.000 0.481 326 V N 4.421 124.421 119.914 0.144 0.000 2.334 326 V HA 0.267 4.387 4.120 0.001 0.000 0.267 326 V C -2.073 174.066 176.094 0.074 0.000 1.040 326 V CA -1.561 60.813 62.300 0.125 0.000 0.866 326 V CB 0.872 32.751 31.823 0.092 0.000 1.019 326 V HN 0.475 nan 8.190 nan 0.000 0.468 327 P HA -0.069 nan 4.420 nan 0.000 0.257 327 P C 0.544 177.839 177.300 -0.008 0.000 1.153 327 P CA 0.730 63.828 63.100 -0.005 0.000 0.762 327 P CB 0.028 31.742 31.700 0.022 0.000 0.743 328 N N 2.579 121.244 118.700 -0.059 0.000 2.693 328 N HA -0.297 4.444 4.740 0.001 0.000 0.249 328 N C 0.390 175.896 175.510 -0.006 0.000 1.119 328 N CA 1.287 54.314 53.050 -0.039 0.000 0.717 328 N CB -1.746 36.725 38.487 -0.027 0.000 1.071 328 N HN 0.732 nan 8.380 nan 0.000 0.555 329 A N -1.285 121.554 122.820 0.031 0.000 2.822 329 A HA -0.261 4.060 4.320 0.001 0.000 0.287 329 A C 0.782 178.378 177.584 0.019 0.000 1.479 329 A CA 1.484 53.573 52.037 0.088 0.000 0.779 329 A CB -1.871 17.155 19.000 0.044 0.000 1.022 329 A HN 0.923 nan 8.150 nan 0.000 0.532 330 S N -0.693 115.032 115.700 0.042 0.000 2.579 330 S HA 0.511 4.981 4.470 0.001 0.000 0.275 330 S C 1.385 175.962 174.600 -0.037 0.000 1.345 330 S CA 0.880 59.073 58.200 -0.011 0.000 1.031 330 S CB 0.651 63.868 63.200 0.028 0.000 0.892 330 S HN 1.597 nan 8.310 nan 0.000 0.529 331 T N -0.650 113.830 114.554 -0.124 0.000 3.111 331 T HA 0.219 4.570 4.350 0.001 0.000 0.284 331 T C 0.478 175.160 174.700 -0.030 0.000 0.983 331 T CA 0.145 62.155 62.100 -0.149 0.000 0.900 331 T CB -0.597 68.060 68.868 -0.351 0.000 1.132 331 T HN 0.733 nan 8.240 nan 0.000 0.531 332 T N 0.897 115.451 114.554 -0.001 0.000 2.884 332 T HA 0.346 4.697 4.350 0.001 0.000 0.298 332 T C -0.393 174.343 174.700 0.060 0.000 0.998 332 T CA -0.603 61.505 62.100 0.015 0.000 1.124 332 T CB 0.456 69.334 68.868 0.016 0.000 0.931 332 T HN 0.026 nan 8.240 nan 0.000 0.531 333 D N 1.911 122.339 120.400 0.046 0.000 2.443 333 D HA 0.403 5.044 4.640 0.001 0.000 0.239 333 D C 1.550 177.952 176.300 0.171 0.000 1.136 333 D CA 1.483 55.547 54.000 0.107 0.000 0.879 333 D CB 0.509 41.311 40.800 0.003 0.000 1.195 333 D HN 1.048 nan 8.370 nan 0.000 0.443 334 G N 1.596 110.540 108.800 0.240 0.000 2.194 334 G HA2 -0.265 3.696 3.960 0.001 0.000 0.236 334 G HA3 -0.265 3.696 3.960 0.001 0.000 0.236 334 G C 0.514 175.499 174.900 0.142 0.000 0.987 334 G CA 0.215 45.427 45.100 0.188 0.000 0.635 334 G HN 0.575 nan 8.290 nan 0.000 0.520 335 T N 1.673 116.311 114.554 0.140 0.000 2.769 335 T HA 0.407 4.757 4.350 0.001 0.000 0.293 335 T C 0.421 175.199 174.700 0.129 0.000 0.931 335 T CA 0.472 62.644 62.100 0.120 0.000 1.139 335 T CB 1.398 70.336 68.868 0.117 0.000 0.881 335 T HN 0.552 nan 8.240 nan 0.000 0.532 336 Q N 3.376 123.240 119.800 0.107 0.000 2.314 336 Q HA 0.378 4.718 4.340 0.001 0.000 0.258 336 Q C 0.194 176.254 176.000 0.101 0.000 0.954 336 Q CA -0.790 55.073 55.803 0.101 0.000 0.890 336 Q CB 0.665 29.453 28.738 0.084 0.000 1.210 336 Q HN 0.651 nan 8.270 nan 0.000 0.410 337 V N 1.653 121.625 119.914 0.096 0.000 3.133 337 V HA 0.414 4.535 4.120 0.001 0.000 0.305 337 V C -0.395 175.747 176.094 0.079 0.000 1.084 337 V CA -0.252 62.108 62.300 0.100 0.000 1.089 337 V CB 1.145 33.012 31.823 0.072 0.000 1.073 337 V HN 1.019 nan 8.190 nan 0.000 0.477 338 Q N 2.052 121.913 119.800 0.102 0.000 2.831 338 Q HA 0.691 5.032 4.340 0.001 0.000 0.322 338 Q C -1.529 174.565 176.000 0.157 0.000 0.923 338 Q CA -1.154 54.720 55.803 0.120 0.000 0.767 338 Q CB 2.195 31.012 28.738 0.132 0.000 1.469 338 Q HN 0.680 nan 8.270 nan 0.000 0.496 339 L N 1.028 122.358 121.223 0.180 0.000 2.325 339 L HA 0.661 5.002 4.340 0.001 0.000 0.279 339 L C -1.296 175.738 176.870 0.273 0.000 1.054 339 L CA -0.831 54.131 54.840 0.203 0.000 0.804 339 L CB 1.107 43.256 42.059 0.150 0.000 1.200 339 L HN 0.649 nan 8.230 nan 0.000 0.436 340 Y N 0.904 121.271 120.300 0.112 0.000 2.592 340 Y HA 0.197 4.747 4.550 0.001 0.000 0.334 340 Y C -0.724 175.252 175.900 0.126 0.000 1.136 340 Y CA -1.191 56.977 58.100 0.112 0.000 1.042 340 Y CB 1.574 40.116 38.460 0.138 0.000 1.325 340 Y HN 0.550 nan 8.280 nan 0.000 0.457 341 D N 2.844 122.991 120.400 -0.422 0.000 2.583 341 D HA -0.021 4.620 4.640 0.001 0.000 0.232 341 D C -0.134 176.283 176.300 0.195 0.000 1.128 341 D CA 0.847 54.751 54.000 -0.160 0.000 0.859 341 D CB 0.397 41.008 40.800 -0.315 0.000 1.169 341 D HN 0.481 nan 8.370 nan 0.000 0.481 342 c N 4.468 123.169 118.600 0.170 0.000 2.662 342 c HA 0.291 4.861 4.570 0.001 0.000 0.420 342 c C 0.543 174.817 174.090 0.307 0.000 1.314 342 c CA -0.182 56.279 56.329 0.221 0.000 1.963 342 c CB -0.665 41.918 42.510 0.122 0.000 2.686 342 c HN 0.725 nan 8.230 nan 0.000 0.609 343 H N -0.886 118.242 119.070 0.096 0.000 3.114 343 H HA 0.222 4.779 4.556 0.001 0.000 0.325 343 H C -0.800 174.567 175.328 0.066 0.000 1.206 343 H CA -0.464 55.630 56.048 0.077 0.000 1.316 343 H CB 0.301 30.117 29.762 0.091 0.000 1.981 343 H HN 0.569 nan 8.280 nan 0.000 0.527 344 S N 1.888 117.597 115.700 0.015 0.000 2.671 344 S HA 0.525 4.996 4.470 0.001 0.000 0.331 344 S C 0.312 174.858 174.600 -0.089 0.000 1.182 344 S CA 0.040 58.213 58.200 -0.045 0.000 1.276 344 S CB -0.941 62.266 63.200 0.012 0.000 1.360 344 S HN 0.916 nan 8.310 nan 0.000 0.563 345 A N 2.967 125.655 122.820 -0.219 0.000 2.475 345 A HA 0.725 5.045 4.320 0.001 0.000 0.301 345 A C 1.047 178.539 177.584 -0.153 0.000 1.059 345 A CA -0.370 51.565 52.037 -0.170 0.000 0.710 345 A CB 0.803 19.639 19.000 -0.274 0.000 1.288 345 A HN 0.821 nan 8.150 nan 0.000 0.408 346 T N -0.650 113.855 114.554 -0.081 0.000 2.881 346 T HA -0.159 4.192 4.350 0.001 0.000 0.270 346 T C 0.970 175.537 174.700 -0.222 0.000 1.068 346 T CA 1.633 63.675 62.100 -0.097 0.000 1.131 346 T CB -0.553 68.331 68.868 0.026 0.000 0.871 346 T HN 0.776 nan 8.240 nan 0.000 0.479 347 N N 0.910 119.527 118.700 -0.138 0.000 2.485 347 N HA -0.006 4.735 4.740 0.001 0.000 0.199 347 N C 1.041 176.360 175.510 -0.319 0.000 1.236 347 N CA 0.115 53.015 53.050 -0.250 0.000 0.852 347 N CB -0.047 38.454 38.487 0.023 0.000 1.018 347 N HN 0.592 nan 8.380 nan 0.000 0.457 348 Q N -0.510 119.097 119.800 -0.322 0.000 2.081 348 Q HA 0.176 4.517 4.340 0.001 0.000 0.220 348 Q C -0.595 175.302 176.000 -0.172 0.000 0.775 348 Q CA -0.110 55.606 55.803 -0.145 0.000 0.983 348 Q CB 0.907 29.589 28.738 -0.093 0.000 1.188 348 Q HN 0.419 nan 8.270 nan 0.000 0.458 349 Q N 0.369 119.935 119.800 -0.391 0.000 2.368 349 Q HA 0.223 4.564 4.340 0.001 0.000 0.256 349 Q C -1.443 174.297 176.000 -0.433 0.000 0.980 349 Q CA -0.190 55.459 55.803 -0.257 0.000 0.887 349 Q CB 0.813 29.441 28.738 -0.183 0.000 1.221 349 Q HN 0.066 nan 8.270 nan 0.000 0.458 350 W N 1.412 122.641 121.300 -0.118 0.000 2.520 350 W HA 0.389 5.049 4.660 0.001 0.000 0.323 350 W C -0.080 176.407 176.519 -0.054 0.000 1.062 350 W CA -0.520 56.756 57.345 -0.115 0.000 1.215 350 W CB 1.704 31.071 29.460 -0.154 0.000 1.340 350 W HN 0.247 nan 8.180 nan 0.000 0.516 351 T N 2.920 117.581 114.554 0.178 0.000 2.779 351 T HA 0.158 4.508 4.350 0.001 0.000 0.280 351 T C -1.464 173.374 174.700 0.231 0.000 0.987 351 T CA -0.442 61.750 62.100 0.153 0.000 0.966 351 T CB 0.384 69.299 68.868 0.077 0.000 0.933 351 T HN 0.151 nan 8.240 nan 0.000 0.442 352 Y N 4.591 124.929 120.300 0.064 0.000 2.425 352 Y HA 0.378 4.928 4.550 0.001 0.000 0.347 352 Y C 0.951 176.883 175.900 0.053 0.000 0.976 352 Y CA -1.226 56.909 58.100 0.058 0.000 1.190 352 Y CB -0.061 38.421 38.460 0.037 0.000 1.136 352 Y HN 0.716 nan 8.280 nan 0.000 0.517 353 T N 0.891 115.371 114.554 -0.124 0.000 2.847 353 T HA 0.143 4.493 4.350 0.001 0.000 0.279 353 T C 0.907 175.419 174.700 -0.314 0.000 0.984 353 T CA -0.612 61.394 62.100 -0.156 0.000 0.988 353 T CB 0.941 69.771 68.868 -0.062 0.000 1.040 353 T HN 0.552 nan 8.240 nan 0.000 0.528 354 D N 0.770 121.064 120.400 -0.176 0.000 2.218 354 D HA -0.027 4.613 4.640 0.001 0.000 0.204 354 D C 2.116 178.327 176.300 -0.148 0.000 0.976 354 D CA 1.336 55.242 54.000 -0.156 0.000 0.853 354 D CB -0.435 40.325 40.800 -0.068 0.000 0.939 354 D HN 0.763 nan 8.370 nan 0.000 0.481 355 A N -0.314 122.430 122.820 -0.125 0.000 2.167 355 A HA 0.324 4.644 4.320 0.001 0.000 0.214 355 A C 1.727 179.237 177.584 -0.123 0.000 1.151 355 A CA 1.260 53.242 52.037 -0.091 0.000 0.735 355 A CB -0.052 18.912 19.000 -0.060 0.000 0.802 355 A HN 0.261 nan 8.150 nan 0.000 0.467 356 G N -0.643 108.018 108.800 -0.232 0.000 2.134 356 G HA2 -0.171 3.789 3.960 0.001 0.000 0.209 356 G HA3 -0.171 3.789 3.960 0.001 0.000 0.209 356 G C -0.271 174.678 174.900 0.081 0.000 0.993 356 G CA 0.168 45.151 45.100 -0.194 0.000 0.669 356 G HN 0.615 nan 8.290 nan 0.000 0.519 357 E N -0.678 119.559 120.200 0.061 0.000 2.250 357 E HA 0.709 5.059 4.350 0.001 0.000 0.269 357 E C 0.081 176.892 176.600 0.351 0.000 1.018 357 E CA -0.753 55.796 56.400 0.248 0.000 0.873 357 E CB 1.523 31.306 29.700 0.138 0.000 1.134 357 E HN 0.188 nan 8.360 nan 0.000 0.403 358 L N 2.544 123.986 121.223 0.364 0.000 2.337 358 L HA 0.387 4.727 4.340 0.001 0.000 0.269 358 L C -0.180 176.906 176.870 0.359 0.000 1.018 358 L CA -0.366 54.648 54.840 0.289 0.000 0.876 358 L CB 0.578 42.605 42.059 -0.053 0.000 1.236 358 L HN 0.295 nan 8.230 nan 0.000 0.436 359 R N 2.035 122.697 120.500 0.271 0.000 2.486 359 R HA 0.707 5.047 4.340 0.001 0.000 0.286 359 R C -0.937 175.331 176.300 -0.053 0.000 0.999 359 R CA -0.674 55.512 56.100 0.143 0.000 0.993 359 R CB 2.834 33.183 30.300 0.082 0.000 1.084 359 R HN 0.269 nan 8.270 nan 0.000 0.487 360 V N 3.447 123.192 119.914 -0.282 0.000 2.841 360 V HA 0.243 4.364 4.120 0.001 0.000 0.310 360 V C -1.104 174.713 176.094 -0.462 0.000 1.090 360 V CA -0.424 61.431 62.300 -0.742 0.000 0.930 360 V CB 1.268 32.157 31.823 -1.557 0.000 1.014 360 V HN 0.905 nan 8.190 nan 0.000 0.425 361 Y N 4.063 124.228 120.300 -0.224 0.000 4.798 361 Y HA -0.216 4.335 4.550 0.001 0.000 0.237 361 Y C 1.676 177.526 175.900 -0.084 0.000 1.017 361 Y CA 1.477 59.493 58.100 -0.139 0.000 2.010 361 Y CB -1.946 36.441 38.460 -0.122 0.000 1.582 361 Y HN 1.720 nan 8.280 nan 0.000 0.621 362 G N -0.634 108.183 108.800 0.029 0.000 2.498 362 G HA2 -0.402 3.558 3.960 0.001 0.000 0.229 362 G HA3 -0.402 3.558 3.960 0.001 0.000 0.229 362 G C 0.572 175.500 174.900 0.046 0.000 1.156 362 G CA 0.823 45.941 45.100 0.031 0.000 0.680 362 G HN 0.510 nan 8.290 nan 0.000 0.512 363 D N 0.250 120.692 120.400 0.070 0.000 2.582 363 D HA 0.279 4.919 4.640 0.001 0.000 0.246 363 D C 0.261 176.619 176.300 0.096 0.000 1.334 363 D CA -0.012 54.032 54.000 0.073 0.000 0.805 363 D CB 0.155 40.988 40.800 0.056 0.000 1.087 363 D HN 0.229 nan 8.370 nan 0.000 0.499 364 K N 0.077 120.545 120.400 0.113 0.000 2.164 364 K HA 0.502 4.823 4.320 0.001 0.000 0.258 364 K C -0.751 175.941 176.600 0.154 0.000 0.951 364 K CA -0.545 55.829 56.287 0.144 0.000 0.844 364 K CB 1.833 34.453 32.500 0.201 0.000 1.099 364 K HN -0.023 nan 8.250 nan 0.000 0.435 365 c N 2.169 120.906 118.600 0.228 0.000 2.507 365 c HA 0.355 4.925 4.570 0.001 0.000 0.319 365 c C -0.160 174.137 174.090 0.345 0.000 1.208 365 c CA -0.975 55.521 56.329 0.278 0.000 1.619 365 c CB 0.991 43.655 42.510 0.257 0.000 2.230 365 c HN 0.734 nan 8.230 nan 0.000 0.492 366 L N 4.226 125.669 121.223 0.367 0.000 2.534 366 L HA 0.256 4.597 4.340 0.001 0.000 0.271 366 L C 0.064 177.201 176.870 0.445 0.000 1.178 366 L CA 1.332 56.331 54.840 0.264 0.000 0.907 366 L CB -0.094 41.855 42.059 -0.182 0.000 1.164 366 L HN 0.665 nan 8.230 nan 0.000 0.482 367 D N 4.412 125.036 120.400 0.374 0.000 2.646 367 D HA 0.524 5.164 4.640 0.001 0.000 0.245 367 D C -1.366 175.114 176.300 0.300 0.000 1.099 367 D CA -0.493 53.718 54.000 0.351 0.000 0.849 367 D CB 2.141 43.123 40.800 0.303 0.000 1.448 367 D HN 0.673 nan 8.370 nan 0.000 0.489 368 A N 2.431 125.396 122.820 0.241 0.000 2.249 368 A HA 0.596 4.916 4.320 0.001 0.000 0.314 368 A C 0.375 178.002 177.584 0.072 0.000 1.290 368 A CA -0.398 51.741 52.037 0.170 0.000 0.893 368 A CB 0.959 20.025 19.000 0.110 0.000 1.165 368 A HN 0.542 nan 8.150 nan 0.000 0.530 369 A N 2.584 125.442 122.820 0.065 0.000 2.840 369 A HA 0.574 4.895 4.320 0.001 0.000 0.269 369 A C 0.911 178.507 177.584 0.020 0.000 1.439 369 A CA 0.613 52.663 52.037 0.022 0.000 1.083 369 A CB -1.037 17.978 19.000 0.025 0.000 1.019 369 A HN 2.271 nan 8.150 nan 0.000 0.607 370 G N -1.641 107.170 108.800 0.019 0.000 2.341 370 G HA2 0.345 4.306 3.960 0.001 0.000 0.293 370 G HA3 0.345 4.306 3.960 0.001 0.000 0.293 370 G C 0.130 175.032 174.900 0.003 0.000 1.298 370 G CA 0.408 45.515 45.100 0.011 0.000 0.868 370 G HN 0.742 nan 8.290 nan 0.000 0.540 371 T N -2.546 112.006 114.554 -0.004 0.000 3.004 371 T HA 0.539 4.890 4.350 0.001 0.000 0.266 371 T C 1.159 175.849 174.700 -0.016 0.000 0.986 371 T CA 1.263 63.353 62.100 -0.016 0.000 0.902 371 T CB 0.689 69.541 68.868 -0.027 0.000 1.118 371 T HN 1.550 nan 8.240 nan 0.000 0.522 372 G N 1.214 110.008 108.800 -0.010 0.000 2.522 372 G HA2 0.478 4.439 3.960 0.001 0.000 0.304 372 G HA3 0.478 4.439 3.960 0.001 0.000 0.304 372 G C -0.388 174.498 174.900 -0.024 0.000 1.210 372 G CA -0.801 44.284 45.100 -0.025 0.000 0.960 372 G HN 0.228 nan 8.290 nan 0.000 0.497 373 N N -0.333 118.320 118.700 -0.078 0.000 2.407 373 N HA 0.223 4.963 4.740 0.001 0.000 0.250 373 N C 1.328 176.860 175.510 0.036 0.000 1.236 373 N CA 1.541 54.524 53.050 -0.111 0.000 0.879 373 N CB 1.117 39.398 38.487 -0.343 0.000 1.088 373 N HN 1.089 nan 8.380 nan 0.000 0.450 374 G N 0.847 109.743 108.800 0.161 0.000 2.179 374 G HA2 -0.285 3.676 3.960 0.001 0.000 0.260 374 G HA3 -0.285 3.676 3.960 0.001 0.000 0.260 374 G C 0.244 175.212 174.900 0.113 0.000 0.977 374 G CA 0.427 45.626 45.100 0.165 0.000 0.641 374 G HN 0.611 nan 8.290 nan 0.000 0.533 375 T N 1.382 115.994 114.554 0.098 0.000 2.902 375 T HA 0.331 4.682 4.350 0.001 0.000 0.301 375 T C 0.715 175.475 174.700 0.100 0.000 1.012 375 T CA 0.641 62.792 62.100 0.084 0.000 1.151 375 T CB 1.056 69.968 68.868 0.073 0.000 0.946 375 T HN 0.538 nan 8.240 nan 0.000 0.542 376 K N 3.294 123.746 120.400 0.087 0.000 2.412 376 K HA 0.208 4.529 4.320 0.001 0.000 0.281 376 K C -0.828 175.835 176.600 0.104 0.000 1.027 376 K CA -0.366 55.974 56.287 0.089 0.000 0.989 376 K CB 0.349 32.896 32.500 0.078 0.000 0.935 376 K HN 0.292 nan 8.250 nan 0.000 0.475 377 V N 5.909 125.881 119.914 0.097 0.000 2.398 377 V HA 0.217 4.337 4.120 0.001 0.000 0.286 377 V C -0.090 176.057 176.094 0.088 0.000 1.026 377 V CA -0.382 61.978 62.300 0.099 0.000 0.868 377 V CB 1.074 32.911 31.823 0.024 0.000 0.982 377 V HN 0.998 nan 8.190 nan 0.000 0.443 378 Q N 5.179 125.059 119.800 0.133 0.000 2.943 378 Q HA 0.759 5.099 4.340 0.001 0.000 0.328 378 Q C -0.912 175.220 176.000 0.221 0.000 0.934 378 Q CA -1.099 54.801 55.803 0.161 0.000 0.782 378 Q CB 2.587 31.424 28.738 0.166 0.000 1.470 378 Q HN 0.648 nan 8.270 nan 0.000 0.503 379 I N -2.066 118.655 120.570 0.251 0.000 2.562 379 I HA 0.794 4.965 4.170 0.001 0.000 0.301 379 I C -1.385 174.943 176.117 0.352 0.000 1.003 379 I CA -1.021 60.455 61.300 0.293 0.000 1.127 379 I CB 1.629 39.783 38.000 0.256 0.000 1.304 379 I HN 0.732 nan 8.210 nan 0.000 0.446 380 Y N 2.385 122.804 120.300 0.198 0.000 2.624 380 Y HA 0.433 4.984 4.550 0.001 0.000 0.334 380 Y C -0.505 175.521 175.900 0.210 0.000 1.155 380 Y CA -0.735 57.481 58.100 0.193 0.000 1.046 380 Y CB 2.133 40.727 38.460 0.223 0.000 1.316 380 Y HN 0.760 nan 8.280 nan 0.000 0.457 381 S N 1.940 117.502 115.700 -0.230 0.000 2.552 381 S HA 0.078 4.548 4.470 0.001 0.000 0.289 381 S C -0.528 174.243 174.600 0.285 0.000 1.304 381 S CA -0.194 57.983 58.200 -0.037 0.000 1.063 381 S CB -0.309 62.767 63.200 -0.207 0.000 0.848 381 S HN 0.612 nan 8.310 nan 0.000 0.499 382 c N 5.441 124.182 118.600 0.236 0.000 2.629 382 c HA 0.228 4.798 4.570 0.001 0.000 0.410 382 c C 1.442 175.721 174.090 0.315 0.000 1.339 382 c CA -0.523 55.951 56.329 0.241 0.000 1.810 382 c CB -1.090 41.504 42.510 0.141 0.000 2.549 382 c HN 1.080 nan 8.230 nan 0.000 0.589 383 W N 1.195 122.572 121.300 0.127 0.000 2.079 383 W HA 0.378 5.038 4.660 0.001 0.000 0.285 383 W C 0.698 177.263 176.519 0.078 0.000 0.891 383 W CA 0.129 57.533 57.345 0.100 0.000 1.308 383 W CB -0.805 28.732 29.460 0.127 0.000 1.047 383 W HN 0.919 nan 8.180 nan 0.000 0.522 384 G N 1.452 109.998 108.800 -0.422 0.000 2.157 384 G HA2 -0.157 3.804 3.960 0.001 0.000 0.239 384 G HA3 -0.157 3.804 3.960 0.001 0.000 0.239 384 G C 0.580 175.011 174.900 -0.781 0.000 0.982 384 G CA -0.132 44.704 45.100 -0.440 0.000 0.650 384 G HN 0.658 nan 8.290 nan 0.000 0.527 385 G N -0.494 107.313 108.800 -1.655 0.000 2.594 385 G HA2 0.427 4.387 3.960 0.001 0.000 0.243 385 G HA3 0.427 4.387 3.960 0.001 0.000 0.243 385 G C 0.593 175.125 174.900 -0.614 0.000 1.229 385 G CA 0.394 44.661 45.100 -1.388 0.000 0.843 385 G HN 0.059 nan 8.290 nan 0.000 0.578 386 D N -0.009 120.172 120.400 -0.366 0.000 2.310 386 D HA -0.119 4.522 4.640 0.001 0.000 0.212 386 D C 2.014 178.114 176.300 -0.334 0.000 0.965 386 D CA 0.682 54.512 54.000 -0.284 0.000 0.879 386 D CB 0.160 40.850 40.800 -0.183 0.000 0.921 386 D HN 0.576 nan 8.370 nan 0.000 0.510 387 N N 0.230 118.759 118.700 -0.286 0.000 2.461 387 N HA -0.100 4.641 4.740 0.001 0.000 0.188 387 N C 0.657 175.982 175.510 -0.310 0.000 1.134 387 N CA 0.234 53.119 53.050 -0.274 0.000 0.878 387 N CB 0.052 38.481 38.487 -0.097 0.000 0.972 387 N HN 0.256 nan 8.380 nan 0.000 0.456 388 Q N -0.352 119.246 119.800 -0.336 0.000 2.135 388 Q HA 0.231 4.572 4.340 0.001 0.000 0.222 388 Q C -0.562 175.292 176.000 -0.243 0.000 0.808 388 Q CA -0.225 55.486 55.803 -0.153 0.000 1.049 388 Q CB 0.905 29.581 28.738 -0.104 0.000 1.168 388 Q HN 0.114 nan 8.270 nan 0.000 0.483 389 K N 0.389 120.445 120.400 -0.573 0.000 2.207 389 K HA 0.447 4.767 4.320 0.001 0.000 0.255 389 K C -1.072 175.079 176.600 -0.748 0.000 0.941 389 K CA -0.121 55.917 56.287 -0.414 0.000 0.825 389 K CB 1.487 33.823 32.500 -0.272 0.000 1.119 389 K HN -0.032 nan 8.250 nan 0.000 0.430 390 W N 0.775 122.113 121.300 0.063 0.000 3.031 390 W HA 0.480 5.141 4.660 0.001 0.000 0.337 390 W C -0.025 176.570 176.519 0.127 0.000 1.187 390 W CA -0.808 56.571 57.345 0.057 0.000 1.166 390 W CB 1.321 30.783 29.460 0.003 0.000 1.437 390 W HN 0.174 nan 8.180 nan 0.000 0.551 391 R N 2.024 122.689 120.500 0.274 0.000 2.393 391 R HA 0.486 4.827 4.340 0.001 0.000 0.315 391 R C -0.929 175.426 176.300 0.092 0.000 0.952 391 R CA -0.886 55.327 56.100 0.188 0.000 0.842 391 R CB 1.240 31.604 30.300 0.106 0.000 1.163 391 R HN 0.389 nan 8.270 nan 0.000 0.450 392 L N 4.283 125.504 121.223 -0.002 0.000 2.302 392 L HA 0.255 4.595 4.340 0.001 0.000 0.285 392 L C -0.004 176.856 176.870 -0.016 0.000 1.090 392 L CA -0.606 54.167 54.840 -0.112 0.000 0.866 392 L CB 0.125 41.982 42.059 -0.335 0.000 1.244 392 L HN 0.445 nan 8.230 nan 0.000 0.435 393 N N 0.912 119.622 118.700 0.017 0.000 2.482 393 N HA 0.000 4.741 4.740 0.001 0.000 0.260 393 N C 1.263 176.783 175.510 0.015 0.000 1.236 393 N CA 0.072 53.139 53.050 0.029 0.000 0.938 393 N CB 1.491 40.003 38.487 0.041 0.000 1.128 393 N HN 0.541 nan 8.380 nan 0.000 0.448 394 S N 0.012 115.719 115.700 0.012 0.000 2.419 394 S HA -0.186 4.284 4.470 0.001 0.000 0.233 394 S C 1.003 175.606 174.600 0.005 0.000 1.016 394 S CA 1.160 59.363 58.200 0.004 0.000 0.974 394 S CB -0.190 63.009 63.200 -0.001 0.000 0.786 394 S HN 0.710 nan 8.310 nan 0.000 0.492 395 D N 0.700 121.106 120.400 0.010 0.000 2.363 395 D HA 0.166 4.806 4.640 0.001 0.000 0.220 395 D C 1.483 177.787 176.300 0.007 0.000 0.994 395 D CA 0.844 54.847 54.000 0.006 0.000 0.890 395 D CB -0.703 40.101 40.800 0.008 0.000 0.906 395 D HN 0.664 nan 8.370 nan 0.000 0.530 396 G N 0.071 108.884 108.800 0.022 0.000 2.195 396 G HA2 -0.253 3.707 3.960 0.001 0.000 0.224 396 G HA3 -0.253 3.707 3.960 0.001 0.000 0.224 396 G C 0.371 175.339 174.900 0.113 0.000 0.990 396 G CA 0.295 45.420 45.100 0.042 0.000 0.639 396 G HN 0.786 nan 8.290 nan 0.000 0.514 397 S N -0.112 115.647 115.700 0.099 0.000 2.617 397 S HA 0.753 5.223 4.470 0.001 0.000 0.269 397 S C 0.037 174.725 174.600 0.148 0.000 1.292 397 S CA -0.459 57.837 58.200 0.160 0.000 1.010 397 S CB 1.851 65.114 63.200 0.105 0.000 0.944 397 S HN 0.634 nan 8.310 nan 0.000 0.536 398 I N 1.969 122.638 120.570 0.166 0.000 2.439 398 I HA 0.331 4.502 4.170 0.001 0.000 0.283 398 I C -1.103 175.114 176.117 0.167 0.000 1.023 398 I CA -0.859 60.472 61.300 0.052 0.000 1.100 398 I CB 1.836 39.698 38.000 -0.230 0.000 1.238 398 I HN 0.420 nan 8.210 nan 0.000 0.445 399 V N 4.667 124.700 119.914 0.200 0.000 2.483 399 V HA 0.534 4.655 4.120 0.001 0.000 0.295 399 V C 0.774 177.003 176.094 0.225 0.000 1.035 399 V CA -0.688 61.733 62.300 0.202 0.000 0.896 399 V CB 1.671 33.550 31.823 0.094 0.000 0.986 399 V HN 0.836 nan 8.190 nan 0.000 0.447 400 G N 2.362 111.223 108.800 0.102 0.000 2.364 400 G HA2 0.381 4.341 3.960 0.001 0.000 0.267 400 G HA3 0.381 4.341 3.960 0.001 0.000 0.267 400 G C 0.875 175.598 174.900 -0.295 0.000 1.233 400 G CA -0.284 44.583 45.100 -0.390 0.000 0.885 400 G HN 0.556 nan 8.290 nan 0.000 0.490 401 V N 2.117 121.803 119.914 -0.379 0.000 2.295 401 V HA -0.252 3.869 4.120 0.001 0.000 0.246 401 V C 2.851 178.827 176.094 -0.197 0.000 1.049 401 V CA 2.394 64.553 62.300 -0.235 0.000 1.024 401 V CB -0.557 31.128 31.823 -0.230 0.000 0.648 401 V HN 0.867 nan 8.190 nan 0.000 0.447 402 Q N 0.134 119.788 119.800 -0.243 0.000 2.083 402 Q HA -0.174 4.166 4.340 0.001 0.000 0.198 402 Q C 2.342 178.270 176.000 -0.121 0.000 0.969 402 Q CA 2.060 57.764 55.803 -0.163 0.000 0.838 402 Q CB -0.042 28.595 28.738 -0.169 0.000 0.900 402 Q HN 0.767 nan 8.270 nan 0.000 0.436 403 S N -1.927 113.691 115.700 -0.137 0.000 2.470 403 S HA 0.177 4.647 4.470 0.001 0.000 0.222 403 S C 1.442 176.006 174.600 -0.061 0.000 1.024 403 S CA 0.641 58.791 58.200 -0.083 0.000 0.931 403 S CB 0.399 63.559 63.200 -0.066 0.000 0.791 403 S HN 0.638 nan 8.310 nan 0.000 0.513 404 G N 0.776 109.536 108.800 -0.067 0.000 2.155 404 G HA2 -0.194 3.766 3.960 0.001 0.000 0.257 404 G HA3 -0.194 3.766 3.960 0.001 0.000 0.257 404 G C -0.237 174.660 174.900 -0.006 0.000 0.983 404 G CA 0.539 45.616 45.100 -0.039 0.000 0.676 404 G HN 0.483 nan 8.290 nan 0.000 0.528 405 L N -0.286 120.945 121.223 0.012 0.000 2.358 405 L HA 0.736 5.077 4.340 0.001 0.000 0.268 405 L C 0.935 177.883 176.870 0.130 0.000 1.032 405 L CA -0.884 53.989 54.840 0.056 0.000 0.805 405 L CB 1.456 43.544 42.059 0.047 0.000 1.253 405 L HN 0.201 nan 8.230 nan 0.000 0.452 406 c N 1.265 119.960 118.600 0.158 0.000 2.370 406 c HA 0.447 5.017 4.570 0.001 0.000 0.354 406 c C 0.443 174.673 174.090 0.232 0.000 1.218 406 c CA -1.099 55.350 56.329 0.200 0.000 2.154 406 c CB 0.661 43.280 42.510 0.182 0.000 2.391 406 c HN 0.532 nan 8.230 nan 0.000 0.540 407 L N 3.475 124.827 121.223 0.215 0.000 2.455 407 L HA 0.188 4.528 4.340 0.001 0.000 0.272 407 L C 0.175 177.237 176.870 0.320 0.000 1.174 407 L CA 1.037 55.959 54.840 0.136 0.000 0.869 407 L CB 0.155 42.096 42.059 -0.197 0.000 1.130 407 L HN 0.703 nan 8.230 nan 0.000 0.474 408 D N 3.509 124.064 120.400 0.258 0.000 2.936 408 D HA 0.336 4.976 4.640 0.001 0.000 0.238 408 D C -0.984 175.414 176.300 0.163 0.000 1.248 408 D CA -0.495 53.633 54.000 0.213 0.000 0.903 408 D CB 2.191 43.086 40.800 0.159 0.000 1.544 408 D HN 0.503 nan 8.370 nan 0.000 0.543 409 A N 3.862 126.754 122.820 0.120 0.000 2.376 409 A HA 0.380 4.700 4.320 0.001 0.000 0.298 409 A C 0.529 178.107 177.584 -0.009 0.000 1.271 409 A CA -0.461 51.621 52.037 0.075 0.000 0.926 409 A CB 0.156 19.168 19.000 0.019 0.000 1.141 409 A HN 0.452 nan 8.150 nan 0.000 0.539 410 V N 3.028 122.943 119.914 0.002 0.000 2.742 410 V HA 0.103 4.223 4.120 0.001 0.000 0.302 410 V C 1.767 177.824 176.094 -0.063 0.000 1.133 410 V CA 1.909 64.187 62.300 -0.036 0.000 1.284 410 V CB -0.543 31.282 31.823 0.003 0.000 0.850 410 V HN 1.888 nan 8.190 nan 0.000 0.494 411 G N 3.933 112.665 108.800 -0.113 0.000 2.212 411 G HA2 -0.073 3.888 3.960 0.001 0.000 0.267 411 G HA3 -0.073 3.888 3.960 0.001 0.000 0.267 411 G C 1.167 176.012 174.900 -0.092 0.000 1.002 411 G CA 0.756 45.795 45.100 -0.101 0.000 0.729 411 G HN 2.524 nan 8.290 nan 0.000 0.517 412 G N -1.612 107.127 108.800 -0.103 0.000 2.153 412 G HA2 0.172 4.132 3.960 0.001 0.000 0.252 412 G HA3 0.172 4.132 3.960 0.001 0.000 0.252 412 G C 1.328 176.184 174.900 -0.073 0.000 0.994 412 G CA 0.897 45.939 45.100 -0.096 0.000 0.698 412 G HN 2.123 nan 8.290 nan 0.000 0.521 413 G N -0.875 107.894 108.800 -0.053 0.000 2.559 413 G HA2 0.510 4.470 3.960 0.001 0.000 0.235 413 G HA3 0.510 4.470 3.960 0.001 0.000 0.235 413 G C 1.063 175.940 174.900 -0.038 0.000 1.266 413 G CA 1.093 46.172 45.100 -0.034 0.000 0.847 413 G HN 1.364 nan 8.290 nan 0.000 0.583 414 T N -2.102 112.431 114.554 -0.034 0.000 2.986 414 T HA 0.560 4.910 4.350 0.001 0.000 0.264 414 T C 1.003 175.687 174.700 -0.027 0.000 0.964 414 T CA 0.655 62.731 62.100 -0.040 0.000 0.895 414 T CB 0.244 69.080 68.868 -0.054 0.000 1.163 414 T HN 0.916 nan 8.240 nan 0.000 0.517 415 A N 2.176 124.986 122.820 -0.017 0.000 2.287 415 A HA 0.570 4.891 4.320 0.001 0.000 0.273 415 A C 0.237 177.825 177.584 0.007 0.000 1.091 415 A CA -0.697 51.331 52.037 -0.016 0.000 0.817 415 A CB 0.052 19.046 19.000 -0.009 0.000 1.069 415 A HN 0.402 nan 8.150 nan 0.000 0.492 416 N N 0.023 118.715 118.700 -0.013 0.000 2.412 416 N HA 0.265 5.006 4.740 0.001 0.000 0.254 416 N C 1.133 176.726 175.510 0.138 0.000 1.232 416 N CA 1.753 54.834 53.050 0.052 0.000 0.880 416 N CB 0.788 39.249 38.487 -0.044 0.000 1.076 416 N HN 1.298 nan 8.380 nan 0.000 0.458 417 G N 0.860 109.781 108.800 0.203 0.000 2.194 417 G HA2 -0.273 3.687 3.960 0.001 0.000 0.236 417 G HA3 -0.273 3.687 3.960 0.001 0.000 0.236 417 G C 0.157 175.119 174.900 0.103 0.000 0.987 417 G CA 0.173 45.363 45.100 0.149 0.000 0.635 417 G HN 0.603 nan 8.290 nan 0.000 0.520 418 T N 2.670 117.279 114.554 0.093 0.000 2.817 418 T HA 0.456 4.807 4.350 0.001 0.000 0.295 418 T C 1.091 175.841 174.700 0.083 0.000 0.958 418 T CA 0.118 62.259 62.100 0.069 0.000 1.157 418 T CB 0.665 69.564 68.868 0.051 0.000 0.898 418 T HN 0.364 nan 8.240 nan 0.000 0.536 419 L N 3.837 125.102 121.223 0.069 0.000 2.453 419 L HA 0.385 4.725 4.340 0.001 0.000 0.261 419 L C 0.359 177.273 176.870 0.074 0.000 1.179 419 L CA -0.859 54.024 54.840 0.071 0.000 0.813 419 L CB 0.293 42.390 42.059 0.063 0.000 1.110 419 L HN 0.380 nan 8.230 nan 0.000 0.466 420 I N 1.316 121.926 120.570 0.066 0.000 2.460 420 I HA 0.381 4.551 4.170 0.001 0.000 0.298 420 I C -0.022 176.132 176.117 0.062 0.000 0.989 420 I CA -0.274 61.062 61.300 0.061 0.000 1.173 420 I CB 1.506 39.497 38.000 -0.015 0.000 1.338 420 I HN 0.743 nan 8.210 nan 0.000 0.456 421 Q N 5.166 125.019 119.800 0.089 0.000 2.693 421 Q HA 0.705 5.046 4.340 0.001 0.000 0.306 421 Q C -1.874 174.221 176.000 0.159 0.000 0.969 421 Q CA -0.997 54.877 55.803 0.118 0.000 0.757 421 Q CB 2.370 31.188 28.738 0.133 0.000 1.494 421 Q HN 0.440 nan 8.270 nan 0.000 0.459 422 L N 1.109 122.442 121.223 0.183 0.000 2.325 422 L HA 0.664 5.005 4.340 0.001 0.000 0.279 422 L C -1.214 175.808 176.870 0.254 0.000 1.054 422 L CA -0.832 54.130 54.840 0.204 0.000 0.804 422 L CB 1.052 43.208 42.059 0.162 0.000 1.200 422 L HN 0.679 nan 8.230 nan 0.000 0.436 423 Y N 0.129 120.478 120.300 0.081 0.000 2.604 423 Y HA 0.176 4.726 4.550 0.001 0.000 0.331 423 Y C -0.111 175.821 175.900 0.053 0.000 1.158 423 Y CA -0.761 57.374 58.100 0.059 0.000 1.056 423 Y CB 1.853 40.346 38.460 0.055 0.000 1.330 423 Y HN 0.527 nan 8.280 nan 0.000 0.457 424 S N 2.503 118.076 115.700 -0.212 0.000 2.626 424 S HA -0.002 4.469 4.470 0.001 0.000 0.303 424 S C -0.316 174.367 174.600 0.139 0.000 1.256 424 S CA -0.023 58.143 58.200 -0.056 0.000 1.069 424 S CB -0.468 62.641 63.200 -0.152 0.000 0.807 424 S HN 0.607 nan 8.310 nan 0.000 0.500 425 c N 3.721 122.378 118.600 0.094 0.000 2.642 425 c HA 0.293 4.864 4.570 0.001 0.000 0.420 425 c C 1.767 175.909 174.090 0.088 0.000 1.349 425 c CA -0.110 56.280 56.329 0.102 0.000 1.821 425 c CB -0.327 42.226 42.510 0.071 0.000 2.637 425 c HN 1.030 nan 8.230 nan 0.000 0.605 426 S N 0.373 116.121 115.700 0.081 0.000 2.820 426 S HA 0.123 4.593 4.470 0.001 0.000 0.265 426 S C 0.354 174.968 174.600 0.023 0.000 1.043 426 S CA 0.352 58.585 58.200 0.055 0.000 1.245 426 S CB -0.669 62.574 63.200 0.071 0.000 1.187 426 S HN 0.936 nan 8.310 nan 0.000 0.673 427 N N 1.006 119.716 118.700 0.017 0.000 2.741 427 N HA -0.121 4.619 4.740 0.001 0.000 0.250 427 N C 0.212 175.702 175.510 -0.034 0.000 1.115 427 N CA 0.974 54.019 53.050 -0.008 0.000 0.724 427 N CB -1.498 36.985 38.487 -0.006 0.000 1.090 427 N HN 0.838 nan 8.380 nan 0.000 0.558 428 G N -1.208 107.568 108.800 -0.041 0.000 2.507 428 G HA2 0.373 4.334 3.960 0.001 0.000 0.271 428 G HA3 0.373 4.334 3.960 0.001 0.000 0.271 428 G C 1.071 175.896 174.900 -0.125 0.000 1.189 428 G CA 0.040 45.097 45.100 -0.072 0.000 0.859 428 G HN 0.611 nan 8.290 nan 0.000 0.542 429 S N 0.188 115.803 115.700 -0.142 0.000 2.447 429 S HA -0.166 4.304 4.470 0.001 0.000 0.233 429 S C 1.665 176.084 174.600 -0.302 0.000 1.006 429 S CA 1.212 59.293 58.200 -0.198 0.000 0.957 429 S CB -0.258 62.846 63.200 -0.160 0.000 0.773 429 S HN 0.725 nan 8.310 nan 0.000 0.507 430 N N 0.898 119.444 118.700 -0.257 0.000 2.434 430 N HA 0.021 4.762 4.740 0.001 0.000 0.196 430 N C 0.768 176.078 175.510 -0.333 0.000 1.183 430 N CA 0.118 52.985 53.050 -0.305 0.000 0.849 430 N CB -0.183 38.194 38.487 -0.183 0.000 0.992 430 N HN 0.616 nan 8.380 nan 0.000 0.460 431 Q N -0.456 119.141 119.800 -0.339 0.000 2.103 431 Q HA 0.274 4.614 4.340 0.001 0.000 0.219 431 Q C -0.458 175.357 176.000 -0.308 0.000 0.784 431 Q CA -0.246 55.449 55.803 -0.179 0.000 1.014 431 Q CB 1.278 30.015 28.738 -0.003 0.000 1.183 431 Q HN 0.215 nan 8.270 nan 0.000 0.469 432 R N -0.005 120.129 120.500 -0.611 0.000 2.514 432 R HA 0.455 4.795 4.340 0.001 0.000 0.301 432 R C -1.426 174.418 176.300 -0.760 0.000 0.962 432 R CA -0.237 55.593 56.100 -0.450 0.000 0.882 432 R CB 1.201 31.354 30.300 -0.245 0.000 1.143 432 R HN -0.067 nan 8.270 nan 0.000 0.452 433 W N -0.078 121.170 121.300 -0.086 0.000 2.962 433 W HA 0.430 5.091 4.660 0.001 0.000 0.341 433 W C -0.110 176.355 176.519 -0.091 0.000 1.155 433 W CA -0.815 56.468 57.345 -0.102 0.000 1.165 433 W CB 1.856 31.226 29.460 -0.151 0.000 1.435 433 W HN 0.271 nan 8.180 nan 0.000 0.546 434 T N 1.692 116.334 114.554 0.147 0.000 2.879 434 T HA 0.507 4.858 4.350 0.001 0.000 0.290 434 T C -0.671 174.063 174.700 0.057 0.000 0.993 434 T CA -0.784 61.355 62.100 0.065 0.000 0.975 434 T CB 0.471 69.354 68.868 0.025 0.000 0.981 434 T HN 0.435 nan 8.240 nan 0.000 0.439 435 R N 3.067 123.582 120.500 0.025 0.000 2.340 435 R HA 0.537 4.878 4.340 0.001 0.000 0.300 435 R C 0.675 176.989 176.300 0.024 0.000 1.069 435 R CA -0.467 55.641 56.100 0.014 0.000 0.984 435 R CB 0.980 31.274 30.300 -0.011 0.000 1.003 435 R HN 0.804 nan 8.270 nan 0.000 0.459 436 T N 0.000 114.574 114.554 0.033 0.000 3.816 436 T HA 0.000 4.350 4.350 0.001 0.000 0.228 436 T CA 0.000 62.119 62.100 0.032 0.000 1.349 436 T CB 0.000 68.889 68.868 0.036 0.000 0.612 436 T HN 0.000 nan 8.240 nan 0.000 0.658