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 1p0y_1_B DATA FIRST_RESID 48 DATA SEQUENCE PSLSPAVQTF WKWLQEEGVI TAKTPVKASV VTEGLGLVAL KDISRNDVIL DATA SEQUENCE QVPKRLWINP DAVAASEIGR VCSELKPWLS VILFLIRERS REDSVWKHYF DATA SEQUENCE GILPQETDST IYWSEEELQE LQGSQLLKTT VSVKEYVKNE CLKLEQEIIL DATA SEQUENCE PNKRLFPDPV TLDDFFWAFG ILRSRAFSRL RNENLVVVPM ADLINHSAGV DATA SEQUENCE TTEDHAYEVK GAAGLFSWDY LFSLKSPLSV KAGEQVYIQY DLNKSNAELA DATA SEQUENCE LDYGFIEPNE NRHAYTLTLE ISESDPFFDD KLDVAESNGF AQTAYFDIFY DATA SEQUENCE NRTLPPGLLP YLRLVALGGT DAFLLESLFR DTIWGHLELS VSRDNEELLC DATA SEQUENCE KAVREACKSA LAGYHTTIEQ DRELKEGNLD SRLAIAVGIR EGEKMVLQQI DATA SEQUENCE DGIFEQKELE LDQLEYYQER RLKDLGLCGE NGDILENLYF Q 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 48 P HA 0.000 nan 4.420 nan 0.000 0.216 48 P C 0.000 177.307 177.300 0.012 0.000 1.155 48 P CA 0.000 63.105 63.100 0.008 0.000 0.800 48 P CB 0.000 31.704 31.700 0.006 0.000 0.726 49 S N -0.831 114.876 115.700 0.013 0.000 2.549 49 S HA 0.206 4.676 4.470 -0.000 0.000 0.225 49 S C 1.263 175.878 174.600 0.025 0.000 1.039 49 S CA -0.104 58.107 58.200 0.019 0.000 0.942 49 S CB 0.587 63.796 63.200 0.015 0.000 0.881 49 S HN 0.142 nan 8.310 nan 0.000 0.503 50 L N 1.593 122.828 121.223 0.019 0.000 1.961 50 L HA -0.061 4.279 4.340 -0.000 0.000 0.209 50 L C 2.153 179.041 176.870 0.030 0.000 1.075 50 L CA 1.586 56.438 54.840 0.021 0.000 0.749 50 L CB -0.681 41.384 42.059 0.010 0.000 0.890 50 L HN 0.164 nan 8.230 nan 0.000 0.433 51 S N 0.720 116.432 115.700 0.019 0.000 2.393 51 S HA -0.179 4.291 4.470 -0.000 0.000 0.234 51 S C -0.646 173.980 174.600 0.043 0.000 1.064 51 S CA 2.069 60.280 58.200 0.019 0.000 1.088 51 S CB -1.756 61.449 63.200 0.007 0.000 0.939 51 S HN 0.554 nan 8.310 nan 0.000 0.448 52 P HA 0.015 nan 4.420 nan 0.000 0.217 52 P C 1.341 178.694 177.300 0.087 0.000 1.151 52 P CA 1.511 64.647 63.100 0.059 0.000 0.828 52 P CB -0.090 31.637 31.700 0.046 0.000 0.788 53 A N 0.150 123.024 122.820 0.090 0.000 1.873 53 A HA -0.077 4.243 4.320 -0.000 0.000 0.215 53 A C 2.480 180.177 177.584 0.189 0.000 1.186 53 A CA 1.772 53.883 52.037 0.124 0.000 0.616 53 A CB -1.590 17.465 19.000 0.091 0.000 0.823 53 A HN 0.055 nan 8.150 nan 0.000 0.442 54 V N 0.244 120.257 119.914 0.165 0.000 2.358 54 V HA -0.294 3.826 4.120 -0.000 0.000 0.246 54 V C 2.708 179.001 176.094 0.331 0.000 1.047 54 V CA 2.159 64.608 62.300 0.249 0.000 1.035 54 V CB -0.912 30.985 31.823 0.124 0.000 0.658 54 V HN 0.791 nan 8.190 nan 0.000 0.452 55 Q N 0.094 120.012 119.800 0.197 0.000 2.135 55 Q HA -0.231 4.109 4.340 -0.000 0.000 0.204 55 Q C 2.154 178.293 176.000 0.232 0.000 0.981 55 Q CA 2.364 58.281 55.803 0.190 0.000 0.856 55 Q CB -0.201 28.599 28.738 0.103 0.000 0.902 55 Q HN 0.669 nan 8.270 nan 0.000 0.425 56 T N 0.543 115.210 114.554 0.189 0.000 2.777 56 T HA -0.125 4.225 4.350 -0.000 0.000 0.266 56 T C 1.258 176.055 174.700 0.160 0.000 1.040 56 T CA 1.143 63.298 62.100 0.090 0.000 1.141 56 T CB -0.441 68.444 68.868 0.028 0.000 0.868 56 T HN 0.377 nan 8.240 nan 0.000 0.444 57 F N 0.488 120.567 119.950 0.214 0.000 2.134 57 F HA -0.045 4.482 4.527 -0.000 0.000 0.299 57 F C 2.161 178.257 175.800 0.493 0.000 1.097 57 F CA 0.968 59.204 58.000 0.393 0.000 1.264 57 F CB -0.329 38.924 39.000 0.423 0.000 1.001 57 F HN 0.239 nan 8.300 nan 0.000 0.479 58 W N 1.150 122.556 121.300 0.178 0.000 2.418 58 W HA -0.177 4.483 4.660 -0.000 0.000 0.292 58 W C 2.425 178.934 176.519 -0.017 0.000 1.213 58 W CA 1.423 58.789 57.345 0.036 0.000 1.283 58 W CB -0.288 29.238 29.460 0.110 0.000 1.119 58 W HN 0.037 nan 8.180 nan 0.000 0.542 59 K N -0.371 120.151 120.400 0.203 0.000 2.057 59 K HA -0.265 4.055 4.320 -0.000 0.000 0.207 59 K C 1.831 178.441 176.600 0.017 0.000 1.049 59 K CA 2.116 58.454 56.287 0.084 0.000 0.931 59 K CB -0.839 31.707 32.500 0.077 0.000 0.714 59 K HN 0.091 nan 8.250 nan 0.000 0.440 60 W N 1.501 122.695 121.300 -0.176 0.000 2.333 60 W HA -0.208 4.452 4.660 -0.000 0.000 0.316 60 W C 1.328 177.715 176.519 -0.219 0.000 1.215 60 W CA 1.433 58.678 57.345 -0.168 0.000 1.278 60 W CB -0.500 28.901 29.460 -0.098 0.000 1.154 60 W HN -0.009 nan 8.180 nan 0.000 0.486 61 L N 0.409 121.308 121.223 -0.540 0.000 2.131 61 L HA -0.260 4.080 4.340 -0.000 0.000 0.210 61 L C 2.621 179.147 176.870 -0.573 0.000 1.092 61 L CA 1.633 55.983 54.840 -0.817 0.000 0.759 61 L CB -0.911 40.611 42.059 -0.894 0.000 0.903 61 L HN 0.162 nan 8.230 nan 0.000 0.435 62 Q N -0.249 119.308 119.800 -0.406 0.000 2.079 62 Q HA -0.224 4.116 4.340 -0.000 0.000 0.200 62 Q C 2.115 177.986 176.000 -0.215 0.000 0.974 62 Q CA 1.432 57.077 55.803 -0.264 0.000 0.840 62 Q CB 0.002 28.655 28.738 -0.143 0.000 0.898 62 Q HN 0.442 nan 8.270 nan 0.000 0.430 63 E N 0.438 120.520 120.200 -0.197 0.000 2.077 63 E HA -0.167 4.182 4.350 -0.000 0.000 0.193 63 E C 1.663 178.134 176.600 -0.215 0.000 0.989 63 E CA 0.798 57.108 56.400 -0.150 0.000 0.800 63 E CB 0.190 29.845 29.700 -0.076 0.000 0.746 63 E HN 0.185 nan 8.360 nan 0.000 0.452 64 E N -0.750 119.221 120.200 -0.382 0.000 2.472 64 E HA -0.074 4.276 4.350 -0.000 0.000 0.200 64 E C 1.266 177.691 176.600 -0.290 0.000 1.046 64 E CA 0.834 56.986 56.400 -0.413 0.000 0.871 64 E CB 0.181 29.433 29.700 -0.748 0.000 0.806 64 E HN 0.429 nan 8.360 nan 0.000 0.533 65 G N 0.216 108.866 108.800 -0.251 0.000 2.179 65 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.260 65 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.260 65 G C 1.242 176.027 174.900 -0.192 0.000 0.977 65 G CA 0.545 45.538 45.100 -0.179 0.000 0.641 65 G HN 0.274 nan 8.290 nan 0.000 0.533 66 V N 0.548 120.297 119.914 -0.275 0.000 2.548 66 V HA 0.180 4.300 4.120 -0.000 0.000 0.249 66 V C 1.499 177.439 176.094 -0.257 0.000 1.055 66 V CA 1.183 63.330 62.300 -0.254 0.000 1.065 66 V CB -0.181 31.445 31.823 -0.329 0.000 0.681 66 V HN 0.405 nan 8.190 nan 0.000 0.462 67 I N 1.648 122.022 120.570 -0.327 0.000 2.354 67 I HA 0.457 4.627 4.170 -0.000 0.000 0.292 67 I C 0.313 176.328 176.117 -0.171 0.000 0.989 67 I CA 0.416 61.534 61.300 -0.304 0.000 1.188 67 I CB 1.027 38.708 38.000 -0.531 0.000 1.342 67 I HN 0.361 nan 8.210 nan 0.000 0.457 68 T N 1.787 116.286 114.554 -0.091 0.000 2.742 68 T HA 0.616 4.966 4.350 -0.000 0.000 0.282 68 T C 0.885 175.585 174.700 -0.000 0.000 1.025 68 T CA -0.222 61.852 62.100 -0.045 0.000 1.020 68 T CB 1.683 70.527 68.868 -0.040 0.000 1.317 68 T HN 0.440 nan 8.240 nan 0.000 0.538 69 A N 0.096 122.921 122.820 0.008 0.000 2.172 69 A HA 0.067 4.387 4.320 -0.000 0.000 0.216 69 A C 1.923 179.524 177.584 0.029 0.000 1.154 69 A CA 0.772 52.825 52.037 0.026 0.000 0.701 69 A CB -0.673 18.339 19.000 0.019 0.000 0.789 69 A HN 0.622 nan 8.150 nan 0.000 0.465 70 K N -0.047 120.364 120.400 0.019 0.000 2.314 70 K HA 0.039 4.359 4.320 -0.000 0.000 0.198 70 K C 0.220 176.841 176.600 0.035 0.000 1.045 70 K CA 0.327 56.628 56.287 0.022 0.000 0.988 70 K CB -0.706 31.800 32.500 0.012 0.000 0.783 70 K HN 0.325 nan 8.250 nan 0.000 0.484 71 T N 5.130 119.708 114.554 0.040 0.000 2.758 71 T HA 0.022 4.372 4.350 -0.000 0.000 0.281 71 T C -1.766 172.993 174.700 0.098 0.000 0.963 71 T CA -0.608 61.532 62.100 0.067 0.000 1.201 71 T CB 0.752 69.666 68.868 0.076 0.000 0.906 71 T HN 0.099 nan 8.240 nan 0.000 0.528 72 P HA 0.303 nan 4.420 nan 0.000 0.253 72 P C -0.359 176.999 177.300 0.098 0.000 1.459 72 P CA 0.065 63.213 63.100 0.080 0.000 0.908 72 P CB 0.394 32.130 31.700 0.060 0.000 1.470 73 V N 0.508 120.514 119.914 0.154 0.000 2.891 73 V HA 0.337 4.457 4.120 -0.000 0.000 0.304 73 V C -0.557 175.706 176.094 0.281 0.000 1.171 73 V CA -0.736 61.665 62.300 0.169 0.000 0.943 73 V CB 3.313 35.231 31.823 0.158 0.000 1.037 73 V HN 0.104 nan 8.190 nan 0.000 0.427 74 K N 4.064 124.527 120.400 0.106 0.000 2.352 74 K HA 0.973 5.293 4.320 -0.000 0.000 0.240 74 K C -0.393 176.023 176.600 -0.306 0.000 1.017 74 K CA -0.639 55.558 56.287 -0.151 0.000 0.851 74 K CB 2.208 34.564 32.500 -0.239 0.000 1.261 74 K HN 0.771 nan 8.250 nan 0.000 0.451 75 A N 0.526 122.894 122.820 -0.753 0.000 2.371 75 A HA 0.492 4.812 4.320 -0.000 0.000 0.257 75 A C -0.453 176.980 177.584 -0.253 0.000 1.089 75 A CA -0.252 51.548 52.037 -0.394 0.000 0.794 75 A CB 0.478 19.225 19.000 -0.422 0.000 1.029 75 A HN 0.620 nan 8.150 nan 0.000 0.488 76 S N 0.730 116.352 115.700 -0.130 0.000 2.543 76 S HA 0.413 4.883 4.470 -0.000 0.000 0.273 76 S C -1.048 173.517 174.600 -0.059 0.000 1.152 76 S CA -0.552 57.588 58.200 -0.100 0.000 0.910 76 S CB 1.115 64.258 63.200 -0.094 0.000 1.105 76 S HN 0.950 nan 8.310 nan 0.000 0.465 77 V N 4.651 124.537 119.914 -0.047 0.000 2.485 77 V HA 0.352 4.472 4.120 -0.000 0.000 0.287 77 V C 0.127 176.208 176.094 -0.022 0.000 1.022 77 V CA 0.274 62.559 62.300 -0.026 0.000 1.067 77 V CB 0.679 32.490 31.823 -0.019 0.000 0.967 77 V HN 0.672 nan 8.190 nan 0.000 0.479 78 V N 4.189 124.095 119.914 -0.013 0.000 3.001 78 V HA 0.259 4.379 4.120 -0.000 0.000 0.314 78 V C 1.213 177.313 176.094 0.010 0.000 1.099 78 V CA -0.218 62.078 62.300 -0.008 0.000 0.989 78 V CB 2.303 34.111 31.823 -0.024 0.000 1.040 78 V HN 0.879 nan 8.190 nan 0.000 0.434 79 T N 1.611 116.176 114.554 0.017 0.000 2.680 79 T HA -0.175 4.175 4.350 -0.000 0.000 0.268 79 T C 1.238 175.952 174.700 0.023 0.000 1.033 79 T CA 2.179 64.291 62.100 0.020 0.000 1.152 79 T CB -0.143 68.738 68.868 0.020 0.000 0.859 79 T HN 0.858 nan 8.240 nan 0.000 0.452 80 E N 1.112 121.330 120.200 0.030 0.000 2.403 80 E HA 0.343 4.693 4.350 -0.000 0.000 0.187 80 E C 1.312 177.941 176.600 0.049 0.000 1.073 80 E CA 0.525 56.943 56.400 0.029 0.000 0.888 80 E CB -0.223 29.484 29.700 0.011 0.000 1.035 80 E HN 0.559 nan 8.360 nan 0.000 0.471 81 G N 1.081 109.904 108.800 0.038 0.000 2.893 81 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.222 81 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.222 81 G C -0.678 174.236 174.900 0.024 0.000 1.345 81 G CA -0.311 44.811 45.100 0.038 0.000 1.129 81 G HN 0.184 nan 8.290 nan 0.000 0.560 82 L N 1.674 122.915 121.223 0.030 0.000 2.360 82 L HA 0.736 5.076 4.340 -0.000 0.000 0.271 82 L C 0.935 177.823 176.870 0.030 0.000 1.057 82 L CA 0.064 54.916 54.840 0.020 0.000 0.803 82 L CB 1.573 43.645 42.059 0.022 0.000 1.207 82 L HN 1.293 nan 8.230 nan 0.000 0.445 83 G N 1.703 110.509 108.800 0.010 0.000 2.608 83 G HA2 0.515 4.475 3.960 -0.000 0.000 0.291 83 G HA3 0.515 4.475 3.960 -0.000 0.000 0.291 83 G C -1.798 173.095 174.900 -0.010 0.000 1.425 83 G CA -0.737 44.361 45.100 -0.004 0.000 0.787 83 G HN 0.345 nan 8.290 nan 0.000 0.484 84 L N 0.558 121.770 121.223 -0.019 0.000 2.295 84 L HA 0.663 5.003 4.340 -0.000 0.000 0.285 84 L C -0.372 176.457 176.870 -0.069 0.000 1.035 84 L CA -0.997 53.850 54.840 0.011 0.000 0.806 84 L CB 1.682 43.798 42.059 0.095 0.000 1.214 84 L HN 0.195 nan 8.230 nan 0.000 0.426 85 V N 2.130 122.014 119.914 -0.050 0.000 2.680 85 V HA 0.541 4.660 4.120 -0.000 0.000 0.309 85 V C 0.282 176.363 176.094 -0.022 0.000 1.052 85 V CA -0.794 61.468 62.300 -0.063 0.000 0.908 85 V CB 1.959 33.739 31.823 -0.071 0.000 1.001 85 V HN 0.871 nan 8.190 nan 0.000 0.431 86 A N 4.109 126.917 122.820 -0.019 0.000 2.450 86 A HA 0.507 4.827 4.320 -0.000 0.000 0.255 86 A C 0.730 178.320 177.584 0.008 0.000 1.096 86 A CA -0.070 51.971 52.037 0.007 0.000 0.778 86 A CB 0.086 19.090 19.000 0.006 0.000 1.031 86 A HN 0.914 nan 8.150 nan 0.000 0.494 87 L N 0.734 121.972 121.223 0.025 0.000 2.509 87 L HA 0.128 4.468 4.340 -0.000 0.000 0.222 87 L C 0.382 177.265 176.870 0.021 0.000 1.123 87 L CA 0.663 55.517 54.840 0.023 0.000 0.856 87 L CB -0.376 41.708 42.059 0.043 0.000 0.985 87 L HN 0.881 nan 8.230 nan 0.000 0.456 88 K N -2.773 117.641 120.400 0.023 0.000 2.597 88 K HA 0.316 4.636 4.320 -0.000 0.000 0.282 88 K C -1.434 175.177 176.600 0.019 0.000 0.975 88 K CA -0.847 55.452 56.287 0.020 0.000 0.867 88 K CB 0.422 32.936 32.500 0.023 0.000 1.465 88 K HN -0.341 nan 8.250 nan 0.000 0.417 89 D N 1.176 121.586 120.400 0.017 0.000 2.479 89 D HA 0.079 4.719 4.640 -0.000 0.000 0.257 89 D C -0.364 175.948 176.300 0.021 0.000 1.230 89 D CA 0.593 54.603 54.000 0.017 0.000 0.912 89 D CB 0.010 40.819 40.800 0.014 0.000 1.130 89 D HN 0.415 nan 8.370 nan 0.000 0.515 90 I N 2.016 122.600 120.570 0.023 0.000 2.353 90 I HA 0.144 4.314 4.170 -0.000 0.000 0.293 90 I C 0.586 176.720 176.117 0.027 0.000 0.992 90 I CA -0.555 60.762 61.300 0.028 0.000 1.268 90 I CB 1.160 39.180 38.000 0.033 0.000 1.387 90 I HN 0.261 nan 8.210 nan 0.000 0.478 91 S N 5.916 121.633 115.700 0.027 0.000 2.651 91 S HA 0.481 4.951 4.470 -0.000 0.000 0.291 91 S C -0.065 174.553 174.600 0.030 0.000 1.141 91 S CA -1.014 57.201 58.200 0.025 0.000 1.027 91 S CB 1.523 64.735 63.200 0.020 0.000 1.043 91 S HN 0.600 nan 8.310 nan 0.000 0.530 92 R N 1.068 121.585 120.500 0.029 0.000 2.523 92 R HA -0.086 4.254 4.340 -0.000 0.000 0.281 92 R C -0.079 176.240 176.300 0.032 0.000 0.969 92 R CA 0.844 56.963 56.100 0.033 0.000 1.093 92 R CB -0.416 29.900 30.300 0.026 0.000 0.917 92 R HN 0.840 nan 8.270 nan 0.000 0.408 93 N N 1.045 119.771 118.700 0.043 0.000 2.965 93 N HA -0.198 4.542 4.740 -0.000 0.000 0.232 93 N C -0.974 174.566 175.510 0.050 0.000 0.913 93 N CA 1.447 54.522 53.050 0.043 0.000 0.981 93 N CB -0.824 37.674 38.487 0.018 0.000 1.077 93 N HN 0.662 nan 8.380 nan 0.000 0.589 94 D N 0.763 121.192 120.400 0.049 0.000 2.423 94 D HA 0.124 4.763 4.640 -0.000 0.000 0.238 94 D C 0.430 176.771 176.300 0.068 0.000 1.142 94 D CA 0.182 54.212 54.000 0.050 0.000 0.884 94 D CB 0.915 41.741 40.800 0.044 0.000 1.199 94 D HN -0.110 nan 8.370 nan 0.000 0.438 95 V N 4.319 124.275 119.914 0.071 0.000 2.427 95 V HA 0.069 4.189 4.120 -0.000 0.000 0.268 95 V C 1.634 177.762 176.094 0.057 0.000 1.046 95 V CA -0.183 62.163 62.300 0.077 0.000 0.970 95 V CB 0.766 32.638 31.823 0.083 0.000 1.001 95 V HN 0.445 nan 8.190 nan 0.000 0.476 96 I N 4.980 125.585 120.570 0.059 0.000 2.162 96 I HA -0.028 4.142 4.170 -0.000 0.000 0.238 96 I C 0.494 176.646 176.117 0.057 0.000 1.076 96 I CA 1.461 62.800 61.300 0.066 0.000 1.353 96 I CB 0.013 38.063 38.000 0.084 0.000 1.063 96 I HN 0.575 nan 8.210 nan 0.000 0.408 97 L N -2.201 119.045 121.223 0.039 0.000 2.491 97 L HA 0.624 4.964 4.340 -0.000 0.000 0.254 97 L C -1.279 175.581 176.870 -0.016 0.000 1.048 97 L CA -0.731 54.121 54.840 0.020 0.000 0.855 97 L CB 1.629 43.717 42.059 0.049 0.000 1.466 97 L HN -0.042 nan 8.230 nan 0.000 0.409 98 Q N 0.479 120.270 119.800 -0.015 0.000 2.275 98 Q HA 0.707 5.047 4.340 -0.000 0.000 0.258 98 Q C -1.692 174.342 176.000 0.057 0.000 0.960 98 Q CA -0.699 55.099 55.803 -0.008 0.000 0.801 98 Q CB 3.090 31.806 28.738 -0.037 0.000 1.302 98 Q HN 0.575 nan 8.270 nan 0.000 0.433 99 V N 3.371 123.393 119.914 0.180 0.000 2.547 99 V HA 0.531 4.651 4.120 -0.000 0.000 0.299 99 V C -2.167 174.228 176.094 0.502 0.000 1.040 99 V CA -1.941 60.532 62.300 0.289 0.000 0.913 99 V CB 1.552 33.576 31.823 0.335 0.000 0.992 99 V HN 0.616 nan 8.190 nan 0.000 0.449 100 P HA 0.214 nan 4.420 nan 0.000 0.284 100 P C 0.290 177.236 177.300 -0.589 0.000 1.253 100 P CA -0.523 62.551 63.100 -0.045 0.000 0.800 100 P CB 1.462 33.138 31.700 -0.040 0.000 0.961 101 K N 3.204 122.848 120.400 -1.260 0.000 2.173 101 K HA -0.214 4.106 4.320 -0.000 0.000 0.207 101 K C 2.027 178.138 176.600 -0.815 0.000 1.046 101 K CA 1.277 56.339 56.287 -2.041 0.000 0.929 101 K CB -0.154 31.663 32.500 -1.138 0.000 0.720 101 K HN 0.290 nan 8.250 nan 0.000 0.453 102 R N 0.763 121.063 120.500 -0.333 0.000 2.276 102 R HA -0.153 4.187 4.340 -0.000 0.000 0.243 102 R C 1.144 177.507 176.300 0.104 0.000 1.161 102 R CA 1.384 57.453 56.100 -0.052 0.000 1.007 102 R CB -0.086 30.215 30.300 0.001 0.000 0.867 102 R HN 0.322 nan 8.270 nan 0.000 0.472 103 L N -0.960 120.375 121.223 0.186 0.000 2.766 103 L HA 0.264 4.604 4.340 -0.000 0.000 0.242 103 L C 0.489 177.869 176.870 0.849 0.000 1.136 103 L CA -0.610 54.611 54.840 0.635 0.000 0.933 103 L CB 0.045 42.382 42.059 0.463 0.000 1.241 103 L HN 0.125 nan 8.230 nan 0.000 0.522 104 W N 0.708 122.150 121.300 0.236 0.000 1.992 104 W HA 0.314 4.974 4.660 -0.000 0.000 0.360 104 W C 0.105 176.544 176.519 -0.133 0.000 1.369 104 W CA -0.688 56.660 57.345 0.005 0.000 1.403 104 W CB 0.936 30.396 29.460 -0.001 0.000 1.215 104 W HN -0.176 nan 8.180 nan 0.000 0.643 105 I N 3.078 123.659 120.570 0.018 0.000 2.649 105 I HA 0.053 4.223 4.170 -0.000 0.000 0.275 105 I C -0.685 175.402 176.117 -0.050 0.000 1.153 105 I CA -0.557 60.646 61.300 -0.160 0.000 1.069 105 I CB 0.187 37.982 38.000 -0.342 0.000 1.227 105 I HN 0.400 nan 8.210 nan 0.000 0.505 106 N N 4.869 123.559 118.700 -0.016 0.000 2.629 106 N HA 0.573 5.313 4.740 -0.000 0.000 0.279 106 N C -2.663 172.819 175.510 -0.046 0.000 1.344 106 N CA -2.112 50.949 53.050 0.017 0.000 0.789 106 N CB 0.873 39.434 38.487 0.122 0.000 1.508 106 N HN -0.135 nan 8.380 nan 0.000 0.516 107 P HA -0.159 nan 4.420 nan 0.000 0.217 107 P C 0.408 177.684 177.300 -0.040 0.000 1.158 107 P CA 1.686 64.777 63.100 -0.015 0.000 0.887 107 P CB 0.143 31.865 31.700 0.036 0.000 0.792 108 D N -1.011 119.392 120.400 0.005 0.000 2.149 108 D HA -0.156 4.484 4.640 -0.000 0.000 0.198 108 D C 1.951 178.226 176.300 -0.042 0.000 0.990 108 D CA 1.673 55.678 54.000 0.009 0.000 0.839 108 D CB -0.731 40.102 40.800 0.055 0.000 0.948 108 D HN 0.119 nan 8.370 nan 0.000 0.460 109 A N 0.741 123.503 122.820 -0.095 0.000 1.930 109 A HA -0.111 4.209 4.320 -0.000 0.000 0.217 109 A C 2.478 179.824 177.584 -0.398 0.000 1.175 109 A CA 1.744 53.675 52.037 -0.177 0.000 0.627 109 A CB -0.684 18.207 19.000 -0.180 0.000 0.815 109 A HN 0.243 nan 8.150 nan 0.000 0.443 110 V N -2.466 117.126 119.914 -0.538 0.000 2.548 110 V HA 0.003 4.123 4.120 -0.000 0.000 0.249 110 V C 2.467 178.503 176.094 -0.096 0.000 1.055 110 V CA 1.665 63.679 62.300 -0.478 0.000 1.065 110 V CB -1.394 30.273 31.823 -0.259 0.000 0.681 110 V HN 0.485 nan 8.190 nan 0.000 0.462 111 A N 1.207 123.987 122.820 -0.068 0.000 1.883 111 A HA 0.063 4.383 4.320 -0.000 0.000 0.217 111 A C 2.266 179.861 177.584 0.018 0.000 1.186 111 A CA 2.203 54.238 52.037 -0.003 0.000 0.624 111 A CB -1.153 17.848 19.000 0.002 0.000 0.822 111 A HN 1.210 nan 8.150 nan 0.000 0.444 112 A N -0.018 122.809 122.820 0.011 0.000 2.310 112 A HA 0.448 4.768 4.320 -0.000 0.000 0.230 112 A C 0.994 178.620 177.584 0.071 0.000 1.294 112 A CA 0.673 52.730 52.037 0.034 0.000 0.898 112 A CB -0.931 18.086 19.000 0.028 0.000 0.917 112 A HN 0.787 nan 8.150 nan 0.000 0.491 113 S N -1.895 113.867 115.700 0.103 0.000 2.689 113 S HA 0.485 4.955 4.470 -0.000 0.000 0.306 113 S C 0.418 175.090 174.600 0.121 0.000 1.104 113 S CA -0.444 57.863 58.200 0.178 0.000 0.973 113 S CB 1.007 64.448 63.200 0.401 0.000 1.121 113 S HN 0.167 nan 8.310 nan 0.000 0.523 114 E N 0.598 120.854 120.200 0.093 0.000 2.233 114 E HA -0.144 4.206 4.350 -0.000 0.000 0.199 114 E C 1.438 178.054 176.600 0.026 0.000 1.004 114 E CA 1.807 58.227 56.400 0.032 0.000 0.819 114 E CB -0.676 29.013 29.700 -0.018 0.000 0.738 114 E HN 0.751 nan 8.360 nan 0.000 0.478 115 I N -4.206 116.404 120.570 0.067 0.000 3.883 115 I HA 0.323 4.492 4.170 -0.000 0.000 0.326 115 I C 1.923 178.114 176.117 0.123 0.000 1.283 115 I CA 0.341 61.694 61.300 0.088 0.000 1.161 115 I CB -0.044 38.029 38.000 0.122 0.000 1.012 115 I HN -0.018 nan 8.210 nan 0.000 0.421 116 G N 2.630 111.493 108.800 0.105 0.000 2.503 116 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.221 116 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.221 116 G C 1.721 176.660 174.900 0.065 0.000 1.131 116 G CA 0.748 45.895 45.100 0.077 0.000 0.756 116 G HN 0.325 nan 8.290 nan 0.000 0.572 117 R N 0.625 121.161 120.500 0.060 0.000 2.096 117 R HA -0.121 4.219 4.340 -0.000 0.000 0.229 117 R C 2.831 179.166 176.300 0.058 0.000 1.134 117 R CA 1.825 57.955 56.100 0.050 0.000 0.917 117 R CB -1.839 28.487 30.300 0.044 0.000 0.832 117 R HN 0.546 nan 8.270 nan 0.000 0.430 118 V N -0.726 119.236 119.914 0.080 0.000 2.688 118 V HA -0.171 3.949 4.120 -0.000 0.000 0.256 118 V C 2.163 178.305 176.094 0.080 0.000 1.084 118 V CA 1.504 63.858 62.300 0.090 0.000 1.103 118 V CB -1.119 30.792 31.823 0.147 0.000 0.688 118 V HN 0.246 nan 8.190 nan 0.000 0.480 119 C N 1.334 120.685 119.300 0.086 0.000 2.791 119 C HA 0.164 4.624 4.460 -0.000 0.000 0.270 119 C C 3.021 178.030 174.990 0.031 0.000 1.257 119 C CA 0.303 59.358 59.018 0.062 0.000 1.699 119 C CB -1.207 26.588 27.740 0.091 0.000 1.904 119 C HN 0.816 nan 8.230 nan 0.000 0.603 120 S N 2.461 118.181 115.700 0.033 0.000 2.399 120 S HA -0.299 4.170 4.470 -0.000 0.000 0.235 120 S C 1.173 175.781 174.600 0.013 0.000 1.063 120 S CA 2.141 60.356 58.200 0.023 0.000 1.070 120 S CB -0.377 62.838 63.200 0.024 0.000 0.904 120 S HN 0.687 nan 8.310 nan 0.000 0.456 121 E N 0.570 120.773 120.200 0.004 0.000 2.474 121 E HA 0.410 4.760 4.350 -0.000 0.000 0.195 121 E C -0.102 176.483 176.600 -0.024 0.000 1.039 121 E CA -0.207 56.190 56.400 -0.005 0.000 0.881 121 E CB 0.089 29.785 29.700 -0.006 0.000 0.970 121 E HN 0.554 nan 8.360 nan 0.000 0.486 122 L N 1.444 122.644 121.223 -0.037 0.000 2.397 122 L HA 0.186 4.526 4.340 -0.000 0.000 0.271 122 L C 0.543 177.357 176.870 -0.093 0.000 1.148 122 L CA -0.366 54.422 54.840 -0.087 0.000 0.825 122 L CB 0.671 42.670 42.059 -0.099 0.000 1.117 122 L HN -0.089 nan 8.230 nan 0.000 0.456 123 K N 3.869 124.176 120.400 -0.155 0.000 2.469 123 K HA -0.003 4.317 4.320 -0.000 0.000 0.274 123 K C -1.300 175.230 176.600 -0.116 0.000 0.983 123 K CA -0.993 55.227 56.287 -0.113 0.000 0.974 123 K CB 0.469 32.877 32.500 -0.152 0.000 0.913 123 K HN 0.384 nan 8.250 nan 0.000 0.493 124 P HA -0.244 nan 4.420 nan 0.000 0.217 124 P C 1.180 178.563 177.300 0.138 0.000 1.162 124 P CA 1.931 65.090 63.100 0.098 0.000 0.901 124 P CB -0.287 31.507 31.700 0.158 0.000 0.793 125 W N 0.624 121.970 121.300 0.076 0.000 2.363 125 W HA -0.062 4.598 4.660 -0.000 0.000 0.296 125 W C 1.988 178.581 176.519 0.122 0.000 1.212 125 W CA 0.328 57.733 57.345 0.100 0.000 1.260 125 W CB -1.936 27.602 29.460 0.131 0.000 1.131 125 W HN -0.126 nan 8.180 nan 0.000 0.530 126 L N 1.593 122.461 121.223 -0.593 0.000 2.083 126 L HA -0.209 4.131 4.340 -0.000 0.000 0.209 126 L C 2.846 179.643 176.870 -0.122 0.000 1.083 126 L CA 1.849 56.370 54.840 -0.532 0.000 0.752 126 L CB -0.916 40.689 42.059 -0.757 0.000 0.899 126 L HN -0.086 nan 8.230 nan 0.000 0.433 127 S N -0.510 115.154 115.700 -0.060 0.000 2.368 127 S HA -0.133 4.337 4.470 -0.000 0.000 0.224 127 S C 2.002 176.700 174.600 0.164 0.000 1.029 127 S CA 1.200 59.435 58.200 0.059 0.000 0.988 127 S CB -0.192 63.032 63.200 0.039 0.000 0.838 127 S HN 0.177 nan 8.310 nan 0.000 0.462 128 V N 1.995 122.006 119.914 0.162 0.000 2.515 128 V HA -0.120 4.000 4.120 -0.000 0.000 0.250 128 V C 1.989 178.263 176.094 0.299 0.000 1.058 128 V CA 1.228 63.664 62.300 0.227 0.000 1.064 128 V CB -0.707 31.222 31.823 0.176 0.000 0.675 128 V HN 0.440 nan 8.190 nan 0.000 0.461 129 I N -0.455 120.279 120.570 0.273 0.000 2.202 129 I HA -0.237 3.933 4.170 -0.000 0.000 0.242 129 I C 2.314 178.619 176.117 0.312 0.000 1.091 129 I CA 1.636 63.121 61.300 0.309 0.000 1.368 129 I CB -0.222 37.984 38.000 0.344 0.000 1.058 129 I HN 0.259 nan 8.210 nan 0.000 0.410 130 L N -0.559 120.842 121.223 0.296 0.000 2.093 130 L HA -0.231 4.109 4.340 -0.000 0.000 0.208 130 L C 2.559 179.649 176.870 0.367 0.000 1.085 130 L CA 1.262 56.297 54.840 0.326 0.000 0.755 130 L CB -0.585 41.671 42.059 0.327 0.000 0.904 130 L HN 0.194 nan 8.230 nan 0.000 0.435 131 F N 0.675 120.757 119.950 0.219 0.000 2.102 131 F HA -0.220 4.307 4.527 -0.000 0.000 0.298 131 F C 2.223 178.150 175.800 0.212 0.000 1.105 131 F CA 1.495 59.613 58.000 0.197 0.000 1.239 131 F CB -0.146 38.952 39.000 0.162 0.000 0.991 131 F HN -0.135 nan 8.300 nan 0.000 0.474 132 L N -0.143 121.271 121.223 0.318 0.000 1.994 132 L HA -0.259 4.081 4.340 -0.000 0.000 0.208 132 L C 2.481 179.442 176.870 0.152 0.000 1.071 132 L CA 1.595 56.611 54.840 0.295 0.000 0.745 132 L CB -0.727 41.532 42.059 0.333 0.000 0.892 132 L HN 0.149 nan 8.230 nan 0.000 0.431 133 I N -0.617 120.074 120.570 0.201 0.000 2.208 133 I HA -0.342 3.828 4.170 -0.000 0.000 0.245 133 I C 2.823 178.902 176.117 -0.064 0.000 1.097 133 I CA 1.350 62.695 61.300 0.074 0.000 1.363 133 I CB -0.409 37.610 38.000 0.032 0.000 1.051 133 I HN 0.269 nan 8.210 nan 0.000 0.413 134 R N 0.881 121.375 120.500 -0.009 0.000 2.073 134 R HA -0.162 4.178 4.340 -0.000 0.000 0.234 134 R C 2.247 178.432 176.300 -0.192 0.000 1.134 134 R CA 1.358 57.414 56.100 -0.073 0.000 0.952 134 R CB 0.009 30.271 30.300 -0.064 0.000 0.850 134 R HN 0.279 nan 8.270 nan 0.000 0.433 135 E N 0.260 120.298 120.200 -0.269 0.000 2.150 135 E HA -0.197 4.153 4.350 -0.000 0.000 0.193 135 E C 1.928 178.347 176.600 -0.302 0.000 0.985 135 E CA 0.658 56.958 56.400 -0.167 0.000 0.814 135 E CB -0.211 29.525 29.700 0.060 0.000 0.752 135 E HN 0.334 nan 8.360 nan 0.000 0.466 136 R N 0.758 120.814 120.500 -0.740 0.000 2.117 136 R HA -0.115 4.225 4.340 -0.000 0.000 0.243 136 R C 2.099 178.137 176.300 -0.436 0.000 1.143 136 R CA 1.679 57.202 56.100 -0.962 0.000 0.968 136 R CB 0.050 29.814 30.300 -0.894 0.000 0.863 136 R HN -0.002 nan 8.270 nan 0.000 0.444 137 S N -0.079 115.440 115.700 -0.301 0.000 2.446 137 S HA 0.062 4.531 4.470 -0.000 0.000 0.225 137 S C 0.410 174.931 174.600 -0.132 0.000 1.016 137 S CA 0.245 58.328 58.200 -0.194 0.000 0.943 137 S CB 0.039 63.146 63.200 -0.156 0.000 0.786 137 S HN 0.305 nan 8.310 nan 0.000 0.508 138 R N 1.829 122.260 120.500 -0.114 0.000 2.449 138 R HA 0.088 4.428 4.340 -0.000 0.000 0.296 138 R C 1.053 177.320 176.300 -0.056 0.000 1.047 138 R CA -0.060 55.996 56.100 -0.074 0.000 1.018 138 R CB 0.367 30.633 30.300 -0.057 0.000 0.962 138 R HN 0.137 nan 8.270 nan 0.000 0.428 139 E N 2.124 122.290 120.200 -0.056 0.000 2.358 139 E HA -0.136 4.214 4.350 -0.000 0.000 0.195 139 E C 0.466 177.031 176.600 -0.059 0.000 1.010 139 E CA 1.264 57.633 56.400 -0.053 0.000 0.856 139 E CB 0.253 29.926 29.700 -0.045 0.000 0.795 139 E HN 0.628 nan 8.360 nan 0.000 0.504 140 D N -0.877 119.490 120.400 -0.055 0.000 2.402 140 D HA 0.039 4.679 4.640 -0.000 0.000 0.216 140 D C 0.150 176.406 176.300 -0.074 0.000 1.128 140 D CA -0.155 53.808 54.000 -0.062 0.000 0.833 140 D CB -0.253 40.519 40.800 -0.047 0.000 0.971 140 D HN -0.000 nan 8.370 nan 0.000 0.503 141 S N 0.134 115.803 115.700 -0.052 0.000 2.563 141 S HA 0.040 4.510 4.470 -0.000 0.000 0.284 141 S C 1.638 176.132 174.600 -0.177 0.000 1.331 141 S CA -0.515 57.675 58.200 -0.018 0.000 1.047 141 S CB 1.112 64.415 63.200 0.170 0.000 0.859 141 S HN 0.039 nan 8.310 nan 0.000 0.514 142 V N 3.863 123.548 119.914 -0.381 0.000 2.427 142 V HA -0.131 3.989 4.120 -0.000 0.000 0.248 142 V C 1.182 176.811 176.094 -0.775 0.000 1.051 142 V CA 1.532 63.445 62.300 -0.645 0.000 1.048 142 V CB -0.843 30.374 31.823 -1.009 0.000 0.666 142 V HN 0.979 nan 8.190 nan 0.000 0.456 143 W N 0.285 121.533 121.300 -0.086 0.000 3.364 143 W HA 0.351 5.011 4.660 -0.000 0.000 0.397 143 W C 1.794 178.178 176.519 -0.225 0.000 1.107 143 W CA -0.646 56.535 57.345 -0.272 0.000 1.892 143 W CB -0.656 28.590 29.460 -0.356 0.000 1.027 143 W HN 0.085 nan 8.180 nan 0.000 0.761 144 K N 0.697 120.959 120.400 -0.231 0.000 2.020 144 K HA -0.261 4.059 4.320 -0.000 0.000 0.212 144 K C 1.651 178.115 176.600 -0.226 0.000 1.050 144 K CA 2.003 58.154 56.287 -0.227 0.000 0.929 144 K CB -0.229 31.945 32.500 -0.543 0.000 0.714 144 K HN 0.271 nan 8.250 nan 0.000 0.443 145 H N -1.503 117.462 119.070 -0.176 0.000 2.462 145 H HA -0.112 4.444 4.556 -0.000 0.000 0.292 145 H C 1.907 177.349 175.328 0.190 0.000 1.049 145 H CA 1.237 57.280 56.048 -0.009 0.000 1.334 145 H CB -0.408 29.315 29.762 -0.065 0.000 1.404 145 H HN 0.386 nan 8.280 nan 0.000 0.544 146 Y N 0.987 121.326 120.300 0.065 0.000 2.220 146 Y HA -0.140 4.410 4.550 -0.000 0.000 0.291 146 Y C 2.053 177.942 175.900 -0.019 0.000 1.129 146 Y CA 0.997 59.165 58.100 0.114 0.000 1.161 146 Y CB -0.803 37.736 38.460 0.133 0.000 0.997 146 Y HN -0.053 nan 8.280 nan 0.000 0.522 147 F N -0.024 119.959 119.950 0.055 0.000 2.234 147 F HA -0.063 4.464 4.527 -0.000 0.000 0.299 147 F C 2.549 178.312 175.800 -0.061 0.000 1.087 147 F CA 0.871 58.856 58.000 -0.025 0.000 1.340 147 F CB -0.638 38.420 39.000 0.097 0.000 1.031 147 F HN 0.164 nan 8.300 nan 0.000 0.500 148 G N -0.307 108.578 108.800 0.142 0.000 2.559 148 G HA2 -0.150 3.810 3.960 -0.000 0.000 0.216 148 G HA3 -0.150 3.810 3.960 -0.000 0.000 0.216 148 G C 1.391 176.305 174.900 0.024 0.000 1.126 148 G CA 0.477 45.628 45.100 0.086 0.000 0.778 148 G HN 0.239 nan 8.290 nan 0.000 0.543 149 I N 0.367 120.894 120.570 -0.072 0.000 3.854 149 I HA 0.283 4.453 4.170 -0.000 0.000 0.312 149 I C 1.039 177.073 176.117 -0.137 0.000 1.273 149 I CA -0.254 60.957 61.300 -0.148 0.000 1.298 149 I CB -0.427 37.346 38.000 -0.377 0.000 1.071 149 I HN 0.023 nan 8.210 nan 0.000 0.428 150 L N 3.483 124.632 121.223 -0.124 0.000 2.462 150 L HA 0.108 4.448 4.340 -0.000 0.000 0.272 150 L C -1.862 175.074 176.870 0.111 0.000 1.166 150 L CA -1.315 53.517 54.840 -0.015 0.000 0.880 150 L CB -0.267 41.871 42.059 0.132 0.000 1.142 150 L HN -0.098 nan 8.230 nan 0.000 0.473 151 P HA 0.018 nan 4.420 nan 0.000 0.267 151 P C 0.066 177.490 177.300 0.206 0.000 1.205 151 P CA -0.070 63.092 63.100 0.103 0.000 0.765 151 P CB 0.524 32.270 31.700 0.076 0.000 0.828 152 Q N 1.021 120.906 119.800 0.143 0.000 2.437 152 Q HA -0.090 4.250 4.340 -0.000 0.000 0.210 152 Q C 0.587 176.673 176.000 0.144 0.000 0.972 152 Q CA 1.132 57.038 55.803 0.171 0.000 0.903 152 Q CB 0.298 29.037 28.738 0.001 0.000 0.967 152 Q HN 0.587 nan 8.270 nan 0.000 0.486 153 E N -0.960 119.227 120.200 -0.021 0.000 2.429 153 E HA 0.220 4.570 4.350 -0.000 0.000 0.280 153 E C -1.309 175.186 176.600 -0.175 0.000 1.068 153 E CA -0.294 55.894 56.400 -0.353 0.000 0.837 153 E CB 1.694 31.143 29.700 -0.419 0.000 1.357 153 E HN 0.064 nan 8.360 nan 0.000 0.455 154 T N -1.811 112.641 114.554 -0.170 0.000 2.804 154 T HA 0.372 4.722 4.350 -0.000 0.000 0.290 154 T C -0.359 174.512 174.700 0.286 0.000 1.099 154 T CA -0.683 61.505 62.100 0.147 0.000 1.011 154 T CB 1.166 70.188 68.868 0.257 0.000 1.291 154 T HN 0.286 nan 8.240 nan 0.000 0.523 155 D N 1.327 121.919 120.400 0.320 0.000 2.370 155 D HA 0.187 4.827 4.640 -0.000 0.000 0.230 155 D C 0.664 177.267 176.300 0.504 0.000 1.143 155 D CA 0.165 54.422 54.000 0.428 0.000 0.834 155 D CB 0.109 41.121 40.800 0.354 0.000 0.944 155 D HN 0.535 nan 8.370 nan 0.000 0.504 156 S N 0.094 116.011 115.700 0.362 0.000 2.572 156 S HA 0.016 4.486 4.470 -0.000 0.000 0.279 156 S C 1.816 176.324 174.600 -0.152 0.000 1.341 156 S CA -0.116 58.119 58.200 0.058 0.000 1.043 156 S CB 1.057 64.240 63.200 -0.029 0.000 0.887 156 S HN 0.296 nan 8.310 nan 0.000 0.516 157 T N 2.725 116.896 114.554 -0.638 0.000 2.996 157 T HA -0.144 4.206 4.350 -0.000 0.000 0.271 157 T C 1.704 176.059 174.700 -0.575 0.000 1.126 157 T CA 1.405 62.807 62.100 -1.163 0.000 1.103 157 T CB -0.984 67.235 68.868 -1.081 0.000 0.870 157 T HN 0.806 nan 8.240 nan 0.000 0.528 158 I N -2.898 117.375 120.570 -0.495 0.000 3.001 158 I HA 0.092 4.262 4.170 -0.000 0.000 0.268 158 I C 1.449 177.231 176.117 -0.558 0.000 1.267 158 I CA 0.752 61.690 61.300 -0.603 0.000 1.472 158 I CB -0.625 36.931 38.000 -0.739 0.000 1.089 158 I HN 0.140 nan 8.210 nan 0.000 0.468 159 Y N -0.970 119.329 120.300 -0.002 0.000 2.445 159 Y HA 0.262 4.812 4.550 -0.000 0.000 0.247 159 Y C 0.515 176.562 175.900 0.245 0.000 1.129 159 Y CA -1.101 57.064 58.100 0.108 0.000 1.251 159 Y CB 0.048 38.605 38.460 0.161 0.000 1.176 159 Y HN 0.064 nan 8.280 nan 0.000 0.522 160 W N 2.808 124.150 121.300 0.069 0.000 2.223 160 W HA 0.158 4.818 4.660 -0.000 0.000 0.334 160 W C 0.977 177.510 176.519 0.024 0.000 1.334 160 W CA -0.744 56.628 57.345 0.044 0.000 1.246 160 W CB 0.249 29.716 29.460 0.012 0.000 1.184 160 W HN -0.041 nan 8.180 nan 0.000 0.563 161 S N 1.185 116.998 115.700 0.188 0.000 2.600 161 S HA 0.027 4.497 4.470 -0.000 0.000 0.265 161 S C 1.101 175.766 174.600 0.108 0.000 1.325 161 S CA -0.261 58.004 58.200 0.109 0.000 1.002 161 S CB 1.227 64.455 63.200 0.046 0.000 0.921 161 S HN 0.503 nan 8.310 nan 0.000 0.554 162 E N 0.929 121.172 120.200 0.071 0.000 2.118 162 E HA -0.166 4.183 4.350 -0.000 0.000 0.195 162 E C 1.594 178.222 176.600 0.047 0.000 0.992 162 E CA 1.917 58.351 56.400 0.057 0.000 0.804 162 E CB -0.434 29.287 29.700 0.035 0.000 0.741 162 E HN 0.805 nan 8.360 nan 0.000 0.458 163 E N 0.369 120.585 120.200 0.028 0.000 2.028 163 E HA -0.153 4.197 4.350 -0.000 0.000 0.191 163 E C 2.093 178.700 176.600 0.011 0.000 0.988 163 E CA 1.494 57.898 56.400 0.006 0.000 0.799 163 E CB -0.242 29.451 29.700 -0.012 0.000 0.755 163 E HN 0.375 nan 8.360 nan 0.000 0.447 164 E N 0.567 120.765 120.200 -0.003 0.000 2.085 164 E HA -0.184 4.165 4.350 -0.000 0.000 0.194 164 E C 2.080 178.800 176.600 0.200 0.000 0.994 164 E CA 0.921 57.287 56.400 -0.057 0.000 0.801 164 E CB -0.191 29.356 29.700 -0.256 0.000 0.743 164 E HN 0.203 nan 8.360 nan 0.000 0.453 165 L N 0.773 122.175 121.223 0.299 0.000 2.083 165 L HA -0.233 4.107 4.340 -0.000 0.000 0.209 165 L C 2.496 179.475 176.870 0.183 0.000 1.083 165 L CA 1.111 56.146 54.840 0.325 0.000 0.752 165 L CB -0.380 41.785 42.059 0.177 0.000 0.899 165 L HN 0.179 nan 8.230 nan 0.000 0.433 166 Q N -0.255 119.600 119.800 0.092 0.000 2.248 166 Q HA -0.281 4.059 4.340 -0.000 0.000 0.208 166 Q C 1.901 177.908 176.000 0.011 0.000 0.984 166 Q CA 1.492 57.299 55.803 0.006 0.000 0.875 166 Q CB -0.082 28.630 28.738 -0.043 0.000 0.910 166 Q HN 0.327 nan 8.270 nan 0.000 0.433 167 E N 0.294 120.563 120.200 0.114 0.000 2.409 167 E HA -0.053 4.297 4.350 -0.000 0.000 0.198 167 E C 0.695 177.475 176.600 0.300 0.000 1.024 167 E CA 0.552 57.078 56.400 0.209 0.000 0.861 167 E CB 0.193 29.998 29.700 0.176 0.000 0.788 167 E HN 0.274 nan 8.360 nan 0.000 0.521 168 L N 0.675 122.046 121.223 0.246 0.000 2.872 168 L HA 0.212 4.552 4.340 -0.000 0.000 0.245 168 L C 0.436 177.374 176.870 0.113 0.000 1.211 168 L CA -0.299 54.662 54.840 0.202 0.000 1.013 168 L CB 0.139 42.286 42.059 0.147 0.000 1.326 168 L HN 0.079 nan 8.230 nan 0.000 0.525 169 Q N 0.786 120.647 119.800 0.102 0.000 2.263 169 Q HA 0.084 4.424 4.340 -0.000 0.000 0.289 169 Q C 1.231 177.190 176.000 -0.068 0.000 1.061 169 Q CA 1.202 57.010 55.803 0.008 0.000 0.927 169 Q CB 0.510 29.216 28.738 -0.053 0.000 1.154 169 Q HN 0.485 nan 8.270 nan 0.000 0.378 170 G N 2.719 111.412 108.800 -0.179 0.000 2.205 170 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.261 170 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.261 170 G C 0.107 174.656 174.900 -0.584 0.000 0.980 170 G CA 0.419 45.272 45.100 -0.412 0.000 0.632 170 G HN 0.957 nan 8.290 nan 0.000 0.533 171 S N -0.623 114.918 115.700 -0.266 0.000 2.632 171 S HA 0.554 5.024 4.470 -0.000 0.000 0.267 171 S C 1.147 175.742 174.600 -0.009 0.000 1.276 171 S CA 0.642 58.858 58.200 0.026 0.000 0.998 171 S CB 1.879 65.184 63.200 0.175 0.000 0.953 171 S HN 0.532 nan 8.310 nan 0.000 0.547 172 Q N -0.202 119.598 119.800 -0.000 0.000 2.137 172 Q HA -0.052 4.288 4.340 -0.000 0.000 0.198 172 Q C 1.876 177.772 176.000 -0.174 0.000 0.960 172 Q CA 0.933 56.629 55.803 -0.178 0.000 0.847 172 Q CB -0.319 28.091 28.738 -0.547 0.000 0.915 172 Q HN 0.782 nan 8.270 nan 0.000 0.448 173 L N 0.751 121.886 121.223 -0.147 0.000 2.081 173 L HA -0.183 4.157 4.340 -0.000 0.000 0.212 173 L C 2.014 178.778 176.870 -0.175 0.000 1.080 173 L CA 1.510 56.248 54.840 -0.170 0.000 0.754 173 L CB -0.741 41.227 42.059 -0.152 0.000 0.893 173 L HN 0.408 nan 8.230 nan 0.000 0.433 174 L N -0.393 120.754 121.223 -0.127 0.000 2.027 174 L HA -0.178 4.162 4.340 -0.000 0.000 0.206 174 L C 2.454 179.253 176.870 -0.119 0.000 1.074 174 L CA 1.797 56.565 54.840 -0.120 0.000 0.745 174 L CB -0.818 41.201 42.059 -0.068 0.000 0.898 174 L HN 0.273 nan 8.230 nan 0.000 0.433 175 K N -1.210 119.125 120.400 -0.108 0.000 2.063 175 K HA -0.149 4.171 4.320 -0.000 0.000 0.208 175 K C 1.904 178.432 176.600 -0.119 0.000 1.048 175 K CA 1.928 58.157 56.287 -0.097 0.000 0.928 175 K CB -0.510 31.940 32.500 -0.084 0.000 0.713 175 K HN 0.396 nan 8.250 nan 0.000 0.442 176 T N 0.801 115.263 114.554 -0.153 0.000 2.674 176 T HA -0.159 4.191 4.350 -0.000 0.000 0.265 176 T C 2.197 176.792 174.700 -0.174 0.000 1.039 176 T CA 2.111 64.106 62.100 -0.175 0.000 1.150 176 T CB -0.538 68.206 68.868 -0.207 0.000 0.864 176 T HN 0.532 nan 8.240 nan 0.000 0.427 177 T N 0.919 115.355 114.554 -0.196 0.000 2.788 177 T HA -0.088 4.262 4.350 -0.000 0.000 0.268 177 T C 2.035 176.628 174.700 -0.177 0.000 1.044 177 T CA 1.193 63.162 62.100 -0.218 0.000 1.139 177 T CB -0.943 67.751 68.868 -0.290 0.000 0.867 177 T HN 0.195 nan 8.240 nan 0.000 0.454 178 V N 1.631 121.462 119.914 -0.139 0.000 2.261 178 V HA -0.151 3.969 4.120 -0.000 0.000 0.246 178 V C 3.084 179.134 176.094 -0.072 0.000 1.047 178 V CA 2.015 64.257 62.300 -0.097 0.000 1.015 178 V CB -1.242 30.539 31.823 -0.071 0.000 0.642 178 V HN 0.660 nan 8.190 nan 0.000 0.446 179 S N -0.294 115.360 115.700 -0.076 0.000 2.365 179 S HA -0.206 4.264 4.470 -0.000 0.000 0.225 179 S C 1.985 176.560 174.600 -0.041 0.000 1.039 179 S CA 2.180 60.346 58.200 -0.057 0.000 1.033 179 S CB -0.307 62.840 63.200 -0.087 0.000 0.887 179 S HN 0.305 nan 8.310 nan 0.000 0.447 180 V N 1.718 121.580 119.914 -0.086 0.000 2.358 180 V HA -0.126 3.994 4.120 -0.000 0.000 0.246 180 V C 2.564 178.621 176.094 -0.062 0.000 1.047 180 V CA 1.996 64.245 62.300 -0.084 0.000 1.035 180 V CB -0.616 31.130 31.823 -0.129 0.000 0.658 180 V HN 0.476 nan 8.190 nan 0.000 0.452 181 K N -0.161 120.189 120.400 -0.084 0.000 2.032 181 K HA -0.265 4.055 4.320 -0.000 0.000 0.209 181 K C 2.226 178.901 176.600 0.126 0.000 1.048 181 K CA 1.994 58.269 56.287 -0.019 0.000 0.927 181 K CB -0.209 32.194 32.500 -0.162 0.000 0.712 181 K HN 0.550 nan 8.250 nan 0.000 0.441 182 E N 0.154 120.389 120.200 0.058 0.000 2.038 182 E HA -0.258 4.092 4.350 -0.000 0.000 0.195 182 E C 2.005 178.631 176.600 0.044 0.000 1.000 182 E CA 1.307 57.741 56.400 0.056 0.000 0.803 182 E CB -0.202 29.521 29.700 0.039 0.000 0.750 182 E HN 0.299 nan 8.360 nan 0.000 0.448 183 Y N 0.707 120.975 120.300 -0.053 0.000 2.128 183 Y HA -0.244 4.306 4.550 -0.000 0.000 0.284 183 Y C 2.074 177.938 175.900 -0.060 0.000 1.154 183 Y CA 1.704 59.772 58.100 -0.054 0.000 1.149 183 Y CB -0.401 38.020 38.460 -0.064 0.000 0.976 183 Y HN -0.053 nan 8.280 nan 0.000 0.505 184 V N 0.964 120.796 119.914 -0.137 0.000 2.407 184 V HA -0.303 3.817 4.120 -0.000 0.000 0.248 184 V C 2.441 178.311 176.094 -0.374 0.000 1.055 184 V CA 2.250 64.395 62.300 -0.258 0.000 1.049 184 V CB -0.739 30.873 31.823 -0.352 0.000 0.662 184 V HN 0.372 nan 8.190 nan 0.000 0.455 185 K N 0.459 120.699 120.400 -0.267 0.000 2.026 185 K HA -0.213 4.107 4.320 -0.000 0.000 0.208 185 K C 2.024 178.422 176.600 -0.338 0.000 1.048 185 K CA 1.897 57.991 56.287 -0.322 0.000 0.929 185 K CB -0.177 32.271 32.500 -0.086 0.000 0.713 185 K HN 0.465 nan 8.250 nan 0.000 0.439 186 N N 1.104 119.638 118.700 -0.277 0.000 2.142 186 N HA -0.133 4.607 4.740 -0.000 0.000 0.186 186 N C 1.593 176.884 175.510 -0.365 0.000 1.023 186 N CA 0.985 53.875 53.050 -0.267 0.000 0.852 186 N CB -0.289 38.083 38.487 -0.193 0.000 0.998 186 N HN 0.251 nan 8.380 nan 0.000 0.424 187 E N 0.480 120.384 120.200 -0.494 0.000 2.209 187 E HA -0.082 4.268 4.350 -0.000 0.000 0.196 187 E C 1.875 178.150 176.600 -0.541 0.000 0.993 187 E CA 0.426 56.512 56.400 -0.524 0.000 0.819 187 E CB -0.229 29.093 29.700 -0.630 0.000 0.745 187 E HN 0.364 nan 8.360 nan 0.000 0.477 188 C N -0.169 118.730 119.300 -0.668 0.000 2.507 188 C HA 0.123 4.583 4.460 -0.000 0.000 0.280 188 C C 2.656 177.172 174.990 -0.790 0.000 1.345 188 C CA -0.202 58.188 59.018 -1.047 0.000 1.736 188 C CB -0.750 25.889 27.740 -1.834 0.000 2.060 188 C HN 0.351 nan 8.230 nan 0.000 0.498 189 L N 0.982 121.903 121.223 -0.503 0.000 2.275 189 L HA -0.113 4.227 4.340 -0.000 0.000 0.215 189 L C 2.555 179.292 176.870 -0.222 0.000 1.119 189 L CA 1.265 55.942 54.840 -0.273 0.000 0.790 189 L CB -0.578 41.368 42.059 -0.189 0.000 0.919 189 L HN 0.405 nan 8.230 nan 0.000 0.443 190 K N 0.674 120.915 120.400 -0.265 0.000 2.116 190 K HA -0.080 4.240 4.320 -0.000 0.000 0.203 190 K C 2.094 178.573 176.600 -0.203 0.000 1.052 190 K CA 0.776 56.940 56.287 -0.206 0.000 0.952 190 K CB 0.125 32.495 32.500 -0.216 0.000 0.729 190 K HN 0.239 nan 8.250 nan 0.000 0.446 191 L N 0.656 121.718 121.223 -0.269 0.000 2.156 191 L HA -0.106 4.233 4.340 -0.000 0.000 0.208 191 L C 2.500 179.269 176.870 -0.168 0.000 1.095 191 L CA 1.152 55.858 54.840 -0.223 0.000 0.770 191 L CB -0.418 41.485 42.059 -0.260 0.000 0.914 191 L HN 0.363 nan 8.230 nan 0.000 0.439 192 E N 0.301 120.420 120.200 -0.136 0.000 2.110 192 E HA -0.251 4.099 4.350 -0.000 0.000 0.193 192 E C 2.058 178.604 176.600 -0.090 0.000 0.988 192 E CA 1.245 57.604 56.400 -0.069 0.000 0.804 192 E CB 0.152 29.854 29.700 0.004 0.000 0.745 192 E HN 0.571 nan 8.360 nan 0.000 0.458 193 Q N -0.575 119.171 119.800 -0.091 0.000 2.297 193 Q HA -0.023 4.317 4.340 -0.000 0.000 0.203 193 Q C 1.656 177.617 176.000 -0.065 0.000 0.931 193 Q CA 0.729 56.490 55.803 -0.070 0.000 0.885 193 Q CB 0.370 29.069 28.738 -0.064 0.000 0.991 193 Q HN 0.286 nan 8.270 nan 0.000 0.498 194 E N -0.381 119.771 120.200 -0.080 0.000 2.276 194 E HA -0.011 4.339 4.350 -0.000 0.000 0.193 194 E C 0.908 177.477 176.600 -0.051 0.000 0.983 194 E CA 0.572 56.935 56.400 -0.061 0.000 0.861 194 E CB 0.532 30.191 29.700 -0.068 0.000 0.817 194 E HN 0.197 nan 8.360 nan 0.000 0.485 195 I N -0.603 119.916 120.570 -0.086 0.000 3.873 195 I HA 0.000 4.170 4.170 -0.000 0.000 0.284 195 I C 1.768 177.793 176.117 -0.152 0.000 1.186 195 I CA 0.168 61.426 61.300 -0.070 0.000 1.362 195 I CB 0.074 38.030 38.000 -0.072 0.000 1.432 195 I HN -0.031 nan 8.210 nan 0.000 0.454 196 I N 0.577 120.926 120.570 -0.368 0.000 2.090 196 I HA -0.264 3.906 4.170 -0.000 0.000 0.236 196 I C 2.363 178.392 176.117 -0.147 0.000 1.064 196 I CA 1.721 62.672 61.300 -0.581 0.000 1.324 196 I CB -0.538 37.144 38.000 -0.530 0.000 1.044 196 I HN 0.118 nan 8.210 nan 0.000 0.399 197 L N 0.457 121.627 121.223 -0.089 0.000 2.017 197 L HA -0.143 4.197 4.340 -0.000 0.000 0.208 197 L C -0.168 176.711 176.870 0.016 0.000 1.073 197 L CA 1.572 56.400 54.840 -0.020 0.000 0.745 197 L CB -2.026 40.017 42.059 -0.027 0.000 0.894 197 L HN 0.183 nan 8.230 nan 0.000 0.432 198 P HA -0.117 nan 4.420 nan 0.000 0.221 198 P C 0.271 177.609 177.300 0.064 0.000 1.145 198 P CA 1.251 64.368 63.100 0.029 0.000 0.795 198 P CB 0.063 31.774 31.700 0.019 0.000 0.775 199 N N -0.520 118.250 118.700 0.116 0.000 2.598 199 N HA 0.044 4.784 4.740 -0.000 0.000 0.309 199 N C 0.978 176.612 175.510 0.207 0.000 1.645 199 N CA -0.103 53.048 53.050 0.168 0.000 0.936 199 N CB 0.370 39.006 38.487 0.247 0.000 1.323 199 N HN 0.310 nan 8.380 nan 0.000 0.497 200 K N 0.280 120.760 120.400 0.134 0.000 2.304 200 K HA -0.252 4.068 4.320 -0.000 0.000 0.204 200 K C 1.721 178.377 176.600 0.092 0.000 1.044 200 K CA 0.997 57.353 56.287 0.115 0.000 0.932 200 K CB 0.136 32.672 32.500 0.060 0.000 0.735 200 K HN 0.195 nan 8.250 nan 0.000 0.468 201 R N 1.036 121.574 120.500 0.064 0.000 2.062 201 R HA -0.099 4.241 4.340 -0.000 0.000 0.231 201 R C 2.163 178.444 176.300 -0.032 0.000 1.136 201 R CA 1.106 57.215 56.100 0.015 0.000 0.948 201 R CB -0.184 30.119 30.300 0.005 0.000 0.845 201 R HN 0.137 nan 8.270 nan 0.000 0.430 202 L N -0.042 121.138 121.223 -0.072 0.000 2.056 202 L HA -0.044 4.296 4.340 -0.000 0.000 0.207 202 L C 0.579 177.173 176.870 -0.459 0.000 1.078 202 L CA 1.422 56.075 54.840 -0.312 0.000 0.749 202 L CB -0.301 41.463 42.059 -0.490 0.000 0.901 202 L HN 0.068 nan 8.230 nan 0.000 0.433 203 F N -0.657 119.287 119.950 -0.010 0.000 2.318 203 F HA 0.327 4.854 4.527 -0.000 0.000 0.356 203 F C -1.456 174.324 175.800 -0.033 0.000 1.109 203 F CA -2.133 55.852 58.000 -0.026 0.000 1.234 203 F CB -0.052 38.936 39.000 -0.020 0.000 1.545 203 F HN -0.112 nan 8.300 nan 0.000 0.534 204 P HA -0.128 nan 4.420 nan 0.000 0.205 204 P C -0.028 177.289 177.300 0.028 0.000 1.193 204 P CA 1.227 64.344 63.100 0.028 0.000 0.929 204 P CB 0.174 31.867 31.700 -0.012 0.000 0.772 205 D N 0.004 120.406 120.400 0.004 0.000 2.378 205 D HA 0.073 4.713 4.640 -0.000 0.000 0.238 205 D C -1.981 174.311 176.300 -0.014 0.000 1.180 205 D CA -0.501 53.488 54.000 -0.018 0.000 0.895 205 D CB -0.810 39.962 40.800 -0.047 0.000 1.192 205 D HN 0.084 nan 8.370 nan 0.000 0.438 206 P HA 0.125 nan 4.420 nan 0.000 0.272 206 P C -0.711 176.532 177.300 -0.094 0.000 1.240 206 P CA -0.380 62.691 63.100 -0.047 0.000 0.791 206 P CB 0.676 32.351 31.700 -0.041 0.000 0.978 207 V N 0.874 120.711 119.914 -0.129 0.000 2.409 207 V HA 0.360 4.480 4.120 -0.000 0.000 0.290 207 V C 0.447 176.407 176.094 -0.224 0.000 1.017 207 V CA -0.546 61.595 62.300 -0.266 0.000 0.841 207 V CB 1.090 32.656 31.823 -0.429 0.000 1.003 207 V HN 0.712 nan 8.190 nan 0.000 0.426 208 T N 1.852 116.288 114.554 -0.196 0.000 2.897 208 T HA 0.573 4.923 4.350 -0.000 0.000 0.278 208 T C 1.215 175.905 174.700 -0.018 0.000 0.981 208 T CA -0.663 61.400 62.100 -0.062 0.000 0.973 208 T CB 1.294 70.149 68.868 -0.021 0.000 1.092 208 T HN 0.265 nan 8.240 nan 0.000 0.543 209 L N 0.079 121.371 121.223 0.115 0.000 2.083 209 L HA -0.090 4.250 4.340 -0.000 0.000 0.209 209 L C 2.244 179.219 176.870 0.174 0.000 1.083 209 L CA 1.625 56.552 54.840 0.144 0.000 0.752 209 L CB -0.704 41.409 42.059 0.090 0.000 0.899 209 L HN 0.737 nan 8.230 nan 0.000 0.433 210 D N -0.299 120.228 120.400 0.211 0.000 2.218 210 D HA -0.187 4.453 4.640 -0.000 0.000 0.204 210 D C 1.761 178.216 176.300 0.258 0.000 0.976 210 D CA 0.942 55.118 54.000 0.293 0.000 0.853 210 D CB -0.012 40.902 40.800 0.191 0.000 0.939 210 D HN 0.302 nan 8.370 nan 0.000 0.481 211 D N -0.750 119.694 120.400 0.073 0.000 2.137 211 D HA -0.059 4.581 4.640 -0.000 0.000 0.202 211 D C 1.817 178.190 176.300 0.120 0.000 0.970 211 D CA 0.536 54.535 54.000 -0.002 0.000 0.837 211 D CB -0.120 40.524 40.800 -0.259 0.000 0.981 211 D HN 0.267 nan 8.370 nan 0.000 0.475 212 F N 0.519 120.541 119.950 0.119 0.000 2.060 212 F HA -0.106 4.421 4.527 -0.000 0.000 0.295 212 F C 2.371 178.301 175.800 0.217 0.000 1.120 212 F CA 0.849 58.886 58.000 0.061 0.000 1.205 212 F CB -0.611 38.260 39.000 -0.215 0.000 0.986 212 F HN -0.117 nan 8.300 nan 0.000 0.470 213 F N -1.412 118.820 119.950 0.469 0.000 2.287 213 F HA -0.283 4.244 4.527 -0.000 0.000 0.301 213 F C 2.170 178.286 175.800 0.528 0.000 1.069 213 F CA 0.813 59.062 58.000 0.415 0.000 1.372 213 F CB -0.508 38.678 39.000 0.310 0.000 1.056 213 F HN 0.175 nan 8.300 nan 0.000 0.523 214 W N 1.019 122.630 121.300 0.517 0.000 2.378 214 W HA -0.148 4.512 4.660 -0.000 0.000 0.313 214 W C 2.384 179.103 176.519 0.333 0.000 1.197 214 W CA 1.808 59.385 57.345 0.387 0.000 1.304 214 W CB -0.695 28.880 29.460 0.192 0.000 1.148 214 W HN -0.088 nan 8.180 nan 0.000 0.494 215 A N -0.065 122.902 122.820 0.244 0.000 1.877 215 A HA -0.202 4.118 4.320 -0.000 0.000 0.216 215 A C 2.005 179.630 177.584 0.069 0.000 1.186 215 A CA 1.592 53.610 52.037 -0.031 0.000 0.620 215 A CB -1.605 17.560 19.000 0.276 0.000 0.822 215 A HN 0.495 nan 8.150 nan 0.000 0.443 216 F N 1.264 121.316 119.950 0.170 0.000 2.202 216 F HA -0.038 4.489 4.527 -0.000 0.000 0.301 216 F C 2.168 177.996 175.800 0.047 0.000 1.082 216 F CA 1.300 59.399 58.000 0.164 0.000 1.313 216 F CB -0.492 38.666 39.000 0.264 0.000 1.024 216 F HN 0.186 nan 8.300 nan 0.000 0.495 217 G N 0.532 109.361 108.800 0.049 0.000 2.396 217 G HA2 -0.136 3.824 3.960 -0.000 0.000 0.214 217 G HA3 -0.136 3.824 3.960 -0.000 0.000 0.214 217 G C 1.654 176.454 174.900 -0.167 0.000 1.166 217 G CA 0.721 45.806 45.100 -0.026 0.000 0.793 217 G HN 0.283 nan 8.290 nan 0.000 0.533 218 I N 0.635 121.026 120.570 -0.299 0.000 2.179 218 I HA -0.089 4.081 4.170 -0.000 0.000 0.242 218 I C 2.668 178.645 176.117 -0.235 0.000 1.088 218 I CA 0.812 61.904 61.300 -0.346 0.000 1.357 218 I CB -0.979 36.613 38.000 -0.681 0.000 1.051 218 I HN 0.123 nan 8.210 nan 0.000 0.409 219 L N 1.071 122.153 121.223 -0.236 0.000 2.012 219 L HA -0.200 4.140 4.340 -0.000 0.000 0.210 219 L C 2.761 179.472 176.870 -0.264 0.000 1.073 219 L CA 1.939 56.669 54.840 -0.183 0.000 0.748 219 L CB -0.741 41.256 42.059 -0.104 0.000 0.891 219 L HN 0.152 nan 8.230 nan 0.000 0.431 220 R N -1.148 119.094 120.500 -0.430 0.000 2.153 220 R HA -0.061 4.279 4.340 -0.000 0.000 0.218 220 R C 2.103 178.162 176.300 -0.401 0.000 1.072 220 R CA 1.189 56.992 56.100 -0.495 0.000 0.990 220 R CB -0.107 29.715 30.300 -0.795 0.000 0.889 220 R HN 0.617 nan 8.270 nan 0.000 0.452 221 S N -1.128 114.412 115.700 -0.266 0.000 2.517 221 S HA 0.139 4.609 4.470 -0.000 0.000 0.214 221 S C 1.599 176.231 174.600 0.054 0.000 0.991 221 S CA -0.388 57.780 58.200 -0.054 0.000 0.906 221 S CB 0.311 63.544 63.200 0.055 0.000 0.789 221 S HN 0.335 nan 8.310 nan 0.000 0.513 222 R N 0.870 121.310 120.500 -0.100 0.000 2.194 222 R HA 0.479 4.819 4.340 -0.000 0.000 0.194 222 R C 0.981 177.086 176.300 -0.325 0.000 0.985 222 R CA 0.487 56.489 56.100 -0.162 0.000 1.104 222 R CB -0.242 30.027 30.300 -0.051 0.000 1.092 222 R HN 0.368 nan 8.270 nan 0.000 0.555 223 A N 1.656 124.340 122.820 -0.227 0.000 2.547 223 A HA 0.178 4.498 4.320 -0.000 0.000 0.233 223 A C -0.541 176.862 177.584 -0.301 0.000 1.067 223 A CA 0.420 52.342 52.037 -0.192 0.000 0.763 223 A CB -0.073 18.860 19.000 -0.111 0.000 1.007 223 A HN 0.113 nan 8.150 nan 0.000 0.506 224 F N 0.660 120.490 119.950 -0.199 0.000 2.450 224 F HA 0.431 4.958 4.527 -0.000 0.000 0.332 224 F C 1.294 177.058 175.800 -0.061 0.000 1.093 224 F CA 0.051 57.979 58.000 -0.120 0.000 1.003 224 F CB 2.217 41.117 39.000 -0.167 0.000 1.151 224 F HN 0.607 nan 8.300 nan 0.000 0.474 225 S N 1.088 116.905 115.700 0.195 0.000 2.500 225 S HA 0.073 4.543 4.470 -0.000 0.000 0.174 225 S C 0.261 174.960 174.600 0.166 0.000 0.857 225 S CA -0.512 57.765 58.200 0.129 0.000 0.905 225 S CB -0.340 62.912 63.200 0.087 0.000 0.819 225 S HN 0.646 nan 8.310 nan 0.000 0.557 226 R N 2.534 123.131 120.500 0.161 0.000 4.098 226 R HA -0.133 4.207 4.340 -0.000 0.000 0.151 226 R C -0.825 175.562 176.300 0.144 0.000 0.451 226 R CA 0.654 56.833 56.100 0.132 0.000 0.858 226 R CB -1.050 29.324 30.300 0.123 0.000 1.051 226 R HN 0.465 nan 8.270 nan 0.000 0.263 227 L N 2.797 124.083 121.223 0.106 0.000 2.834 227 L HA 0.429 4.769 4.340 -0.000 0.000 0.277 227 L C -0.485 176.431 176.870 0.078 0.000 0.944 227 L CA -1.334 53.571 54.840 0.108 0.000 1.065 227 L CB 1.453 43.601 42.059 0.147 0.000 1.623 227 L HN 0.569 nan 8.230 nan 0.000 0.347 228 R N 1.428 121.980 120.500 0.086 0.000 2.288 228 R HA 0.378 4.718 4.340 -0.000 0.000 0.326 228 R C -0.563 175.784 176.300 0.079 0.000 0.959 228 R CA -0.527 55.612 56.100 0.066 0.000 0.834 228 R CB 0.879 31.209 30.300 0.050 0.000 1.157 228 R HN 0.530 nan 8.270 nan 0.000 0.470 229 N N 1.859 120.598 118.700 0.065 0.000 2.725 229 N HA -0.191 4.549 4.740 -0.000 0.000 0.249 229 N C -0.993 174.566 175.510 0.082 0.000 1.103 229 N CA 1.457 54.547 53.050 0.067 0.000 0.707 229 N CB -0.504 38.024 38.487 0.067 0.000 1.043 229 N HN 0.719 nan 8.380 nan 0.000 0.553 230 E N -0.878 119.374 120.200 0.086 0.000 2.433 230 E HA 0.389 4.739 4.350 -0.000 0.000 0.278 230 E C 0.502 177.151 176.600 0.081 0.000 0.976 230 E CA -0.751 55.705 56.400 0.093 0.000 0.793 230 E CB 1.080 30.851 29.700 0.119 0.000 1.311 230 E HN 0.248 nan 8.360 nan 0.000 0.460 231 N N 0.867 119.612 118.700 0.074 0.000 1.952 231 N HA 0.102 4.842 4.740 -0.000 0.000 0.228 231 N C -0.530 175.010 175.510 0.050 0.000 1.398 231 N CA 0.013 53.100 53.050 0.062 0.000 0.817 231 N CB 1.105 39.623 38.487 0.053 0.000 1.101 231 N HN 0.312 nan 8.380 nan 0.000 0.498 232 L N 1.866 123.121 121.223 0.054 0.000 2.485 232 L HA 0.555 4.895 4.340 -0.000 0.000 0.260 232 L C -1.459 175.420 176.870 0.015 0.000 0.998 232 L CA -0.661 54.200 54.840 0.036 0.000 0.883 232 L CB 2.122 44.221 42.059 0.066 0.000 1.196 232 L HN -0.194 nan 8.230 nan 0.000 0.443 233 V N 3.548 123.441 119.914 -0.034 0.000 2.569 233 V HA 0.355 4.475 4.120 -0.000 0.000 0.301 233 V C -0.143 175.855 176.094 -0.160 0.000 1.044 233 V CA -0.657 61.566 62.300 -0.129 0.000 0.874 233 V CB 2.587 34.221 31.823 -0.313 0.000 1.002 233 V HN 0.271 nan 8.190 nan 0.000 0.424 234 V N 5.646 125.477 119.914 -0.138 0.000 2.406 234 V HA 0.427 4.547 4.120 -0.000 0.000 0.272 234 V C -0.136 175.824 176.094 -0.223 0.000 1.043 234 V CA -0.283 61.945 62.300 -0.119 0.000 0.915 234 V CB 1.797 33.570 31.823 -0.084 0.000 0.988 234 V HN 0.648 nan 8.190 nan 0.000 0.466 235 V N 7.915 127.713 119.914 -0.192 0.000 2.325 235 V HA 0.263 4.382 4.120 -0.000 0.000 0.280 235 V C -1.520 174.546 176.094 -0.046 0.000 1.016 235 V CA -1.456 60.683 62.300 -0.268 0.000 0.818 235 V CB 1.316 32.695 31.823 -0.741 0.000 1.019 235 V HN 0.628 nan 8.190 nan 0.000 0.434 236 P HA -0.304 nan 4.420 nan 0.000 0.224 236 P C 1.602 179.241 177.300 0.565 0.000 1.153 236 P CA 2.057 65.191 63.100 0.057 0.000 0.947 236 P CB 0.200 32.076 31.700 0.294 0.000 0.790 237 M N -2.724 117.134 119.600 0.430 0.000 2.534 237 M HA 0.143 4.623 4.480 -0.000 0.000 0.263 237 M C 1.837 178.356 176.300 0.365 0.000 1.152 237 M CA 1.079 56.667 55.300 0.480 0.000 1.145 237 M CB 0.018 32.757 32.600 0.233 0.000 1.333 237 M HN -0.148 nan 8.290 nan 0.000 0.477 238 A N 1.347 124.325 122.820 0.263 0.000 1.930 238 A HA -0.199 4.121 4.320 -0.000 0.000 0.217 238 A C 1.397 179.271 177.584 0.484 0.000 1.175 238 A CA 2.011 54.217 52.037 0.282 0.000 0.627 238 A CB -0.947 18.089 19.000 0.060 0.000 0.815 238 A HN 0.736 nan 8.150 nan 0.000 0.443 239 D N 0.116 120.812 120.400 0.493 0.000 2.392 239 D HA -0.081 4.559 4.640 -0.000 0.000 0.228 239 D C 1.329 177.776 176.300 0.245 0.000 1.003 239 D CA 0.407 54.611 54.000 0.341 0.000 0.917 239 D CB -0.622 40.310 40.800 0.220 0.000 0.890 239 D HN 0.474 nan 8.370 nan 0.000 0.532 240 L N -0.245 121.155 121.223 0.294 0.000 2.478 240 L HA 0.050 4.390 4.340 -0.000 0.000 0.223 240 L C 0.802 177.795 176.870 0.206 0.000 1.140 240 L CA 0.036 55.020 54.840 0.239 0.000 0.842 240 L CB -0.063 42.172 42.059 0.293 0.000 0.953 240 L HN 0.056 nan 8.230 nan 0.000 0.452 241 I N 1.177 121.890 120.570 0.239 0.000 2.556 241 I HA -0.021 4.149 4.170 -0.000 0.000 0.284 241 I C 0.306 176.582 176.117 0.266 0.000 1.114 241 I CA 0.469 61.893 61.300 0.208 0.000 1.418 241 I CB 0.308 38.450 38.000 0.236 0.000 1.394 241 I HN 0.182 nan 8.210 nan 0.000 0.552 242 N N 4.293 123.106 118.700 0.189 0.000 2.476 242 N HA 0.221 4.961 4.740 -0.000 0.000 0.276 242 N C -0.439 175.123 175.510 0.087 0.000 1.204 242 N CA -0.533 52.636 53.050 0.200 0.000 0.974 242 N CB 0.872 39.453 38.487 0.158 0.000 1.204 242 N HN 0.546 nan 8.380 nan 0.000 0.543 243 H N -0.941 117.766 119.070 -0.606 0.000 2.482 243 H HA 0.441 4.997 4.556 -0.000 0.000 0.344 243 H C -0.820 174.128 175.328 -0.635 0.000 1.151 243 H CA -0.095 55.428 56.048 -0.875 0.000 1.300 243 H CB 0.792 29.648 29.762 -1.509 0.000 1.494 243 H HN 0.331 nan 8.280 nan 0.000 0.542 244 S N 2.851 117.782 115.700 -1.283 0.000 2.649 244 S HA 0.446 4.916 4.470 -0.000 0.000 0.274 244 S C 0.455 174.542 174.600 -0.855 0.000 1.176 244 S CA -0.139 57.424 58.200 -1.062 0.000 0.988 244 S CB 0.688 63.196 63.200 -1.154 0.000 1.071 244 S HN 0.956 nan 8.310 nan 0.000 0.478 245 A N 3.547 126.067 122.820 -0.500 0.000 2.225 245 A HA 0.164 4.484 4.320 -0.000 0.000 0.215 245 A C 1.871 179.343 177.584 -0.185 0.000 1.164 245 A CA 1.553 53.463 52.037 -0.212 0.000 0.710 245 A CB -0.923 18.043 19.000 -0.057 0.000 0.780 245 A HN 1.153 nan 8.150 nan 0.000 0.473 246 G N -0.895 107.755 108.800 -0.250 0.000 2.484 246 G HA2 0.194 4.153 3.960 -0.000 0.000 0.218 246 G HA3 0.194 4.153 3.960 -0.000 0.000 0.218 246 G C 0.493 175.330 174.900 -0.106 0.000 1.130 246 G CA 0.657 45.664 45.100 -0.154 0.000 0.784 246 G HN 0.285 nan 8.290 nan 0.000 0.543 247 V N 1.891 121.721 119.914 -0.141 0.000 2.389 247 V HA 0.263 4.382 4.120 -0.000 0.000 0.264 247 V C 1.420 177.502 176.094 -0.020 0.000 1.049 247 V CA 0.581 62.847 62.300 -0.056 0.000 0.932 247 V CB 0.933 32.730 31.823 -0.043 0.000 1.011 247 V HN 0.352 nan 8.190 nan 0.000 0.475 248 T N 0.202 114.761 114.554 0.009 0.000 3.086 248 T HA 0.091 4.441 4.350 -0.000 0.000 0.250 248 T C 0.641 175.368 174.700 0.044 0.000 1.074 248 T CA 0.426 62.541 62.100 0.024 0.000 0.988 248 T CB -0.036 68.840 68.868 0.014 0.000 0.988 248 T HN 0.710 nan 8.240 nan 0.000 0.530 249 T N -0.800 113.790 114.554 0.060 0.000 2.908 249 T HA 0.551 4.901 4.350 -0.000 0.000 0.290 249 T C -0.201 174.567 174.700 0.113 0.000 1.034 249 T CA -0.911 61.228 62.100 0.066 0.000 1.010 249 T CB 2.257 71.154 68.868 0.048 0.000 1.068 249 T HN 0.159 nan 8.240 nan 0.000 0.481 250 E N 0.930 121.180 120.200 0.082 0.000 2.496 250 E HA 0.102 4.452 4.350 -0.000 0.000 0.202 250 E C -0.624 175.880 176.600 -0.160 0.000 1.021 250 E CA -0.397 56.049 56.400 0.075 0.000 1.015 250 E CB 0.175 29.923 29.700 0.079 0.000 1.102 250 E HN 0.682 nan 8.360 nan 0.000 0.452 251 D N 1.102 121.460 120.400 -0.070 0.000 2.485 251 D HA 0.015 4.655 4.640 -0.000 0.000 0.221 251 D C 0.715 177.000 176.300 -0.024 0.000 1.112 251 D CA -0.324 53.610 54.000 -0.109 0.000 0.911 251 D CB -0.008 40.769 40.800 -0.039 0.000 1.019 251 D HN 0.391 nan 8.370 nan 0.000 0.516 252 H N -0.340 118.780 119.070 0.084 0.000 3.899 252 H HA 0.440 4.996 4.556 -0.000 0.000 0.260 252 H C -0.542 174.802 175.328 0.027 0.000 1.122 252 H CA -0.570 55.530 56.048 0.087 0.000 1.165 252 H CB 0.632 30.474 29.762 0.135 0.000 1.503 252 H HN 0.342 nan 8.280 nan 0.000 0.671 253 A N 1.178 123.985 122.820 -0.023 0.000 2.393 253 A HA 0.632 4.952 4.320 -0.000 0.000 0.306 253 A C -1.611 175.842 177.584 -0.218 0.000 1.050 253 A CA -0.738 51.154 52.037 -0.241 0.000 0.724 253 A CB 1.691 20.527 19.000 -0.274 0.000 1.248 253 A HN 0.476 nan 8.150 nan 0.000 0.424 254 Y N -0.751 119.258 120.300 -0.484 0.000 2.624 254 Y HA 0.729 5.279 4.550 -0.000 0.000 0.334 254 Y C -0.791 174.913 175.900 -0.326 0.000 1.155 254 Y CA -1.048 56.861 58.100 -0.317 0.000 1.046 254 Y CB 0.792 39.136 38.460 -0.194 0.000 1.316 254 Y HN 0.646 nan 8.280 nan 0.000 0.457 255 E N 1.124 121.267 120.200 -0.096 0.000 2.222 255 E HA 0.655 5.005 4.350 -0.000 0.000 0.267 255 E C -1.407 175.194 176.600 0.001 0.000 0.963 255 E CA -1.480 54.861 56.400 -0.098 0.000 0.837 255 E CB 2.900 32.616 29.700 0.027 0.000 1.183 255 E HN 0.457 nan 8.360 nan 0.000 0.403 256 V N 2.937 122.827 119.914 -0.041 0.000 2.266 256 V HA 0.150 4.270 4.120 -0.000 0.000 0.266 256 V C 0.042 176.041 176.094 -0.159 0.000 1.036 256 V CA -0.447 61.840 62.300 -0.022 0.000 0.828 256 V CB 0.075 31.908 31.823 0.016 0.000 1.081 256 V HN 0.561 nan 8.190 nan 0.000 0.449 257 K N 1.971 122.161 120.400 -0.350 0.000 2.952 257 K HA 0.390 4.710 4.320 -0.000 0.000 0.323 257 K C 1.767 178.029 176.600 -0.562 0.000 1.003 257 K CA 0.144 55.869 56.287 -0.936 0.000 1.156 257 K CB 0.123 32.130 32.500 -0.821 0.000 1.339 257 K HN 0.478 nan 8.250 nan 0.000 0.516 258 G N 0.256 108.766 108.800 -0.483 0.000 2.471 258 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.219 258 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.219 258 G C 1.448 176.316 174.900 -0.054 0.000 1.125 258 G CA 0.899 45.982 45.100 -0.029 0.000 0.775 258 G HN 0.526 nan 8.290 nan 0.000 0.548 259 A N 0.887 123.649 122.820 -0.096 0.000 2.024 259 A HA 0.248 4.568 4.320 -0.000 0.000 0.220 259 A C 2.454 180.006 177.584 -0.053 0.000 1.164 259 A CA 1.954 53.953 52.037 -0.062 0.000 0.643 259 A CB -0.345 18.615 19.000 -0.066 0.000 0.806 259 A HN 0.780 nan 8.150 nan 0.000 0.451 260 A N -1.475 121.308 122.820 -0.061 0.000 2.337 260 A HA 0.449 4.769 4.320 -0.000 0.000 0.227 260 A C 1.541 179.090 177.584 -0.057 0.000 1.259 260 A CA 0.895 52.902 52.037 -0.049 0.000 0.870 260 A CB -1.109 17.867 19.000 -0.040 0.000 0.927 260 A HN 1.863 nan 8.150 nan 0.000 0.497 261 G N -0.421 108.346 108.800 -0.055 0.000 2.273 261 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.280 261 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.280 261 G C -0.061 174.744 174.900 -0.159 0.000 1.047 261 G CA 0.673 45.722 45.100 -0.085 0.000 0.869 261 G HN 0.483 nan 8.290 nan 0.000 0.502 262 L N -1.274 119.898 121.223 -0.086 0.000 2.332 262 L HA 0.699 5.039 4.340 -0.000 0.000 0.269 262 L C 0.896 177.659 176.870 -0.178 0.000 1.016 262 L CA -1.360 53.379 54.840 -0.169 0.000 0.809 262 L CB 1.249 43.316 42.059 0.013 0.000 1.280 262 L HN 0.100 nan 8.230 nan 0.000 0.447 263 F N -0.271 119.398 119.950 -0.469 0.000 2.418 263 F HA -0.000 4.527 4.527 -0.000 0.000 0.341 263 F C 1.708 176.679 175.800 -1.381 0.000 1.120 263 F CA -0.305 57.090 58.000 -1.008 0.000 1.232 263 F CB 1.551 39.547 39.000 -1.672 0.000 1.175 263 F HN 0.702 nan 8.300 nan 0.000 0.569 264 S N 1.882 116.795 115.700 -1.312 0.000 2.383 264 S HA -0.264 4.206 4.470 -0.000 0.000 0.229 264 S C 1.448 175.353 174.600 -1.158 0.000 1.030 264 S CA 1.370 58.451 58.200 -1.866 0.000 1.002 264 S CB -0.874 61.854 63.200 -0.786 0.000 0.829 264 S HN 0.849 nan 8.310 nan 0.000 0.467 265 W N 1.411 122.422 121.300 -0.483 0.000 2.825 265 W HA 0.418 5.078 4.660 -0.000 0.000 0.243 265 W C 0.532 176.885 176.519 -0.277 0.000 1.293 265 W CA 0.214 57.354 57.345 -0.341 0.000 1.403 265 W CB -0.309 29.018 29.460 -0.221 0.000 1.134 265 W HN 0.110 nan 8.180 nan 0.000 0.666 266 D N -0.681 119.476 120.400 -0.405 0.000 2.398 266 D HA -0.020 4.620 4.640 -0.000 0.000 0.210 266 D C 0.051 176.325 176.300 -0.043 0.000 1.094 266 D CA -0.110 53.799 54.000 -0.152 0.000 0.839 266 D CB -0.237 40.477 40.800 -0.143 0.000 0.963 266 D HN -0.043 nan 8.370 nan 0.000 0.506 267 Y N 0.921 121.109 120.300 -0.188 0.000 2.702 267 Y HA 0.097 4.646 4.550 -0.000 0.000 0.336 267 Y C 0.967 176.856 175.900 -0.018 0.000 1.235 267 Y CA -0.185 57.854 58.100 -0.102 0.000 1.492 267 Y CB 0.162 38.573 38.460 -0.081 0.000 1.308 267 Y HN -0.187 nan 8.280 nan 0.000 0.589 268 L N 4.544 125.917 121.223 0.249 0.000 2.313 268 L HA 0.296 4.636 4.340 -0.000 0.000 0.283 268 L C -0.558 176.494 176.870 0.303 0.000 1.013 268 L CA -0.673 54.333 54.840 0.276 0.000 0.816 268 L CB 0.946 43.048 42.059 0.072 0.000 1.236 268 L HN 0.446 nan 8.230 nan 0.000 0.419 269 F N 3.224 123.399 119.950 0.374 0.000 2.405 269 F HA 0.263 4.790 4.527 -0.000 0.000 0.358 269 F C 0.631 176.276 175.800 -0.259 0.000 1.151 269 F CA 0.059 57.964 58.000 -0.158 0.000 1.161 269 F CB 0.820 39.361 39.000 -0.766 0.000 1.245 269 F HN 0.399 nan 8.300 nan 0.000 0.545 270 S N 6.329 121.582 115.700 -0.745 0.000 2.499 270 S HA 0.601 5.071 4.470 -0.000 0.000 0.279 270 S C -1.014 173.152 174.600 -0.724 0.000 1.219 270 S CA -0.633 57.123 58.200 -0.742 0.000 1.062 270 S CB 0.714 63.184 63.200 -1.218 0.000 0.978 270 S HN 0.663 nan 8.310 nan 0.000 0.489 271 L N 6.059 127.086 121.223 -0.326 0.000 2.356 271 L HA 0.621 4.961 4.340 -0.000 0.000 0.277 271 L C -0.513 176.367 176.870 0.017 0.000 0.996 271 L CA -0.291 54.471 54.840 -0.130 0.000 0.822 271 L CB 1.438 43.489 42.059 -0.013 0.000 1.256 271 L HN 0.738 nan 8.230 nan 0.000 0.413 272 K N 2.020 122.481 120.400 0.102 0.000 2.281 272 K HA 0.605 4.925 4.320 -0.000 0.000 0.242 272 K C -0.726 175.955 176.600 0.136 0.000 0.971 272 K CA -0.672 55.690 56.287 0.125 0.000 0.834 272 K CB 1.801 34.392 32.500 0.152 0.000 1.181 272 K HN 0.416 nan 8.250 nan 0.000 0.435 273 S N 2.343 118.107 115.700 0.106 0.000 2.422 273 S HA 0.176 4.646 4.470 -0.000 0.000 0.283 273 S C -1.394 173.265 174.600 0.099 0.000 1.163 273 S CA -1.809 56.451 58.200 0.099 0.000 1.054 273 S CB 0.508 63.751 63.200 0.072 0.000 0.967 273 S HN 0.575 nan 8.310 nan 0.000 0.499 274 P HA -0.013 nan 4.420 nan 0.000 0.225 274 P C -0.103 177.239 177.300 0.071 0.000 1.148 274 P CA 0.790 63.952 63.100 0.104 0.000 0.779 274 P CB 0.126 31.909 31.700 0.138 0.000 0.780 275 L N -1.576 119.687 121.223 0.067 0.000 2.309 275 L HA 0.364 4.704 4.340 -0.000 0.000 0.261 275 L C 0.301 177.198 176.870 0.045 0.000 1.021 275 L CA -1.095 53.775 54.840 0.051 0.000 0.823 275 L CB 1.895 43.985 42.059 0.051 0.000 1.366 275 L HN -0.369 nan 8.230 nan 0.000 0.423 276 S N 0.696 116.417 115.700 0.035 0.000 2.528 276 S HA 0.443 4.913 4.470 -0.000 0.000 0.277 276 S C -0.369 174.250 174.600 0.031 0.000 1.297 276 S CA -0.468 57.750 58.200 0.030 0.000 1.052 276 S CB 1.022 64.235 63.200 0.023 0.000 0.917 276 S HN 0.277 nan 8.310 nan 0.000 0.492 277 V N 4.890 124.821 119.914 0.028 0.000 2.482 277 V HA 0.294 4.414 4.120 -0.000 0.000 0.295 277 V C 0.036 176.140 176.094 0.017 0.000 1.026 277 V CA -0.953 61.361 62.300 0.024 0.000 0.856 277 V CB 1.546 33.381 31.823 0.019 0.000 1.001 277 V HN 0.753 nan 8.190 nan 0.000 0.424 278 K N 2.682 123.091 120.400 0.015 0.000 2.355 278 K HA 0.534 4.854 4.320 -0.000 0.000 0.270 278 K C 0.633 177.238 176.600 0.007 0.000 1.003 278 K CA -0.072 56.222 56.287 0.011 0.000 0.957 278 K CB 0.821 33.327 32.500 0.011 0.000 0.939 278 K HN 0.851 nan 8.250 nan 0.000 0.482 279 A N 1.401 124.225 122.820 0.007 0.000 2.567 279 A HA 0.288 4.608 4.320 -0.000 0.000 0.240 279 A C 1.276 178.859 177.584 -0.001 0.000 1.053 279 A CA 1.037 53.077 52.037 0.005 0.000 0.755 279 A CB -0.732 18.273 19.000 0.007 0.000 0.978 279 A HN 0.943 nan 8.150 nan 0.000 0.507 280 G N 1.788 110.583 108.800 -0.008 0.000 2.308 280 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.221 280 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.221 280 G C 0.183 175.070 174.900 -0.022 0.000 1.032 280 G CA 0.327 45.419 45.100 -0.014 0.000 0.623 280 G HN 0.854 nan 8.290 nan 0.000 0.506 281 E N 0.767 120.957 120.200 -0.017 0.000 2.369 281 E HA 0.457 4.807 4.350 -0.000 0.000 0.255 281 E C 0.299 176.859 176.600 -0.067 0.000 1.172 281 E CA -0.330 56.056 56.400 -0.023 0.000 0.932 281 E CB 0.651 30.352 29.700 0.001 0.000 1.040 281 E HN 0.454 nan 8.360 nan 0.000 0.454 282 Q N 0.974 120.699 119.800 -0.124 0.000 2.243 282 Q HA 0.254 4.594 4.340 -0.000 0.000 0.252 282 Q C -1.224 174.559 176.000 -0.362 0.000 0.909 282 Q CA -0.587 55.032 55.803 -0.306 0.000 0.922 282 Q CB 1.167 29.581 28.738 -0.540 0.000 1.215 282 Q HN 0.262 nan 8.270 nan 0.000 0.427 283 V N 5.156 124.889 119.914 -0.301 0.000 2.461 283 V HA 0.267 4.387 4.120 -0.000 0.000 0.275 283 V C -0.761 175.176 176.094 -0.263 0.000 1.047 283 V CA -0.177 62.021 62.300 -0.169 0.000 0.955 283 V CB -0.032 31.765 31.823 -0.045 0.000 0.988 283 V HN 0.688 nan 8.190 nan 0.000 0.471 284 Y N 4.607 124.895 120.300 -0.019 0.000 2.598 284 Y HA 0.787 5.337 4.550 -0.000 0.000 0.340 284 Y C 0.329 176.200 175.900 -0.048 0.000 1.038 284 Y CA -0.965 57.099 58.100 -0.060 0.000 1.100 284 Y CB 2.064 40.438 38.460 -0.144 0.000 1.281 284 Y HN 0.644 nan 8.280 nan 0.000 0.488 285 I N -1.028 119.617 120.570 0.126 0.000 3.322 285 I HA 0.685 4.855 4.170 -0.000 0.000 0.313 285 I C -1.405 174.711 176.117 -0.002 0.000 1.129 285 I CA -1.452 59.878 61.300 0.050 0.000 0.963 285 I CB 2.168 40.101 38.000 -0.113 0.000 1.273 285 I HN 0.450 nan 8.210 nan 0.000 0.473 286 Q N 0.786 120.655 119.800 0.116 0.000 2.325 286 Q HA 0.399 4.739 4.340 -0.000 0.000 0.262 286 Q C -0.950 175.338 176.000 0.479 0.000 0.968 286 Q CA -0.215 55.694 55.803 0.176 0.000 0.877 286 Q CB 1.162 30.005 28.738 0.175 0.000 1.253 286 Q HN 0.735 nan 8.270 nan 0.000 0.448 287 Y N 1.746 122.293 120.300 0.412 0.000 2.373 287 Y HA 0.051 4.601 4.550 -0.000 0.000 0.293 287 Y C 0.301 176.313 175.900 0.187 0.000 1.129 287 Y CA 0.213 58.420 58.100 0.177 0.000 1.226 287 Y CB 0.937 39.337 38.460 -0.101 0.000 1.000 287 Y HN 0.572 nan 8.280 nan 0.000 0.549 288 D N -1.085 119.535 120.400 0.367 0.000 2.087 288 D HA 0.041 4.681 4.640 -0.000 0.000 0.161 288 D C -0.143 176.277 176.300 0.200 0.000 1.196 288 D CA -0.075 54.073 54.000 0.247 0.000 0.916 288 D CB 0.201 41.130 40.800 0.214 0.000 2.216 288 D HN 0.045 nan 8.370 nan 0.000 0.512 289 L N 2.295 123.614 121.223 0.161 0.000 2.275 289 L HA -0.060 4.279 4.340 -0.000 0.000 0.215 289 L C 1.771 178.681 176.870 0.068 0.000 1.119 289 L CA 0.805 55.714 54.840 0.114 0.000 0.790 289 L CB -0.098 42.008 42.059 0.079 0.000 0.919 289 L HN 0.311 nan 8.230 nan 0.000 0.443 290 N N -0.500 118.236 118.700 0.060 0.000 2.356 290 N HA 0.022 4.762 4.740 -0.000 0.000 0.178 290 N C 0.356 175.928 175.510 0.102 0.000 1.075 290 N CA 0.246 53.301 53.050 0.009 0.000 0.889 290 N CB 0.279 38.759 38.487 -0.012 0.000 0.999 290 N HN 0.276 nan 8.380 nan 0.000 0.464 291 K N 1.887 122.372 120.400 0.142 0.000 2.485 291 K HA 0.041 4.361 4.320 -0.000 0.000 0.277 291 K C 0.656 177.411 176.600 0.260 0.000 0.990 291 K CA 0.062 56.451 56.287 0.171 0.000 0.994 291 K CB 0.528 33.097 32.500 0.115 0.000 0.906 291 K HN 0.110 nan 8.250 nan 0.000 0.488 292 S N 1.870 117.733 115.700 0.273 0.000 2.601 292 S HA 0.100 4.570 4.470 -0.000 0.000 0.271 292 S C 1.009 175.638 174.600 0.048 0.000 1.305 292 S CA -0.823 57.492 58.200 0.191 0.000 1.022 292 S CB 1.169 64.262 63.200 -0.179 0.000 0.940 292 S HN 0.534 nan 8.310 nan 0.000 0.525 293 N N 1.626 120.348 118.700 0.036 0.000 2.132 293 N HA -0.174 4.566 4.740 -0.000 0.000 0.191 293 N C 1.933 177.422 175.510 -0.036 0.000 1.015 293 N CA 1.719 54.775 53.050 0.010 0.000 0.864 293 N CB -1.034 37.486 38.487 0.055 0.000 1.006 293 N HN 0.860 nan 8.380 nan 0.000 0.430 294 A N 1.039 123.824 122.820 -0.059 0.000 1.933 294 A HA -0.147 4.173 4.320 -0.000 0.000 0.218 294 A C 2.087 179.579 177.584 -0.153 0.000 1.175 294 A CA 1.357 53.326 52.037 -0.112 0.000 0.628 294 A CB -0.345 18.568 19.000 -0.145 0.000 0.814 294 A HN 0.399 nan 8.150 nan 0.000 0.444 295 E N -0.220 119.902 120.200 -0.130 0.000 2.072 295 E HA -0.073 4.277 4.350 -0.000 0.000 0.190 295 E C 1.960 178.435 176.600 -0.208 0.000 0.982 295 E CA 0.852 57.158 56.400 -0.157 0.000 0.803 295 E CB -0.271 29.376 29.700 -0.088 0.000 0.755 295 E HN 0.612 nan 8.360 nan 0.000 0.453 296 L N 0.859 121.985 121.223 -0.162 0.000 2.042 296 L HA -0.211 4.129 4.340 -0.000 0.000 0.210 296 L C 2.633 179.296 176.870 -0.345 0.000 1.076 296 L CA 1.055 55.751 54.840 -0.239 0.000 0.749 296 L CB -0.538 41.360 42.059 -0.267 0.000 0.893 296 L HN 0.148 nan 8.230 nan 0.000 0.432 297 A N 0.035 122.708 122.820 -0.245 0.000 1.858 297 A HA -0.242 4.078 4.320 -0.000 0.000 0.216 297 A C 2.201 179.626 177.584 -0.266 0.000 1.190 297 A CA 1.833 53.746 52.037 -0.206 0.000 0.617 297 A CB -0.764 18.142 19.000 -0.157 0.000 0.827 297 A HN 0.319 nan 8.150 nan 0.000 0.443 298 L N -0.017 121.026 121.223 -0.301 0.000 2.046 298 L HA -0.152 4.188 4.340 -0.000 0.000 0.208 298 L C 1.624 178.276 176.870 -0.363 0.000 1.077 298 L CA 2.562 57.206 54.840 -0.326 0.000 0.747 298 L CB -0.548 41.335 42.059 -0.293 0.000 0.896 298 L HN 0.378 nan 8.230 nan 0.000 0.432 299 D N -1.769 118.333 120.400 -0.498 0.000 2.137 299 D HA -0.072 4.568 4.640 -0.000 0.000 0.202 299 D C -0.013 175.813 176.300 -0.790 0.000 0.970 299 D CA 1.175 54.715 54.000 -0.767 0.000 0.837 299 D CB -0.051 40.052 40.800 -1.162 0.000 0.981 299 D HN 0.344 nan 8.370 nan 0.000 0.475 300 Y N -0.818 119.338 120.300 -0.239 0.000 2.485 300 Y HA 0.524 5.074 4.550 -0.000 0.000 0.345 300 Y C 1.302 177.130 175.900 -0.119 0.000 0.998 300 Y CA -1.326 56.686 58.100 -0.147 0.000 1.059 300 Y CB 1.706 40.038 38.460 -0.214 0.000 1.234 300 Y HN -0.221 nan 8.280 nan 0.000 0.461 301 G N 2.084 111.050 108.800 0.277 0.000 3.324 301 G HA2 0.256 4.216 3.960 -0.000 0.000 0.232 301 G HA3 0.256 4.216 3.960 -0.000 0.000 0.232 301 G C -0.617 174.503 174.900 0.365 0.000 1.213 301 G CA 0.405 45.681 45.100 0.293 0.000 1.637 301 G HN 0.511 nan 8.290 nan 0.000 0.572 302 F N -1.386 118.670 119.950 0.177 0.000 2.773 302 F HA 0.768 5.295 4.527 -0.000 0.000 0.314 302 F C -1.066 174.787 175.800 0.089 0.000 1.160 302 F CA -2.434 55.641 58.000 0.125 0.000 0.920 302 F CB 1.170 40.219 39.000 0.081 0.000 1.323 302 F HN 0.102 nan 8.300 nan 0.000 0.457 303 I N -1.609 119.181 120.570 0.367 0.000 3.191 303 I HA 0.713 4.883 4.170 -0.000 0.000 0.313 303 I C -1.573 174.705 176.117 0.268 0.000 1.193 303 I CA -1.029 60.398 61.300 0.213 0.000 0.968 303 I CB 2.639 40.714 38.000 0.125 0.000 1.262 303 I HN 0.739 nan 8.210 nan 0.000 0.456 304 E N 2.183 122.472 120.200 0.149 0.000 2.221 304 E HA 0.373 4.723 4.350 -0.000 0.000 0.268 304 E C -2.153 174.454 176.600 0.012 0.000 0.933 304 E CA -1.679 54.779 56.400 0.096 0.000 0.809 304 E CB 2.048 31.805 29.700 0.096 0.000 1.190 304 E HN 0.461 nan 8.360 nan 0.000 0.406 305 P HA -0.108 nan 4.420 nan 0.000 0.221 305 P C 0.058 177.321 177.300 -0.062 0.000 1.150 305 P CA 0.687 63.781 63.100 -0.011 0.000 0.800 305 P CB 0.131 31.832 31.700 0.002 0.000 0.787 306 N N 1.105 119.770 118.700 -0.059 0.000 2.374 306 N HA -0.120 4.619 4.740 -0.000 0.000 0.269 306 N C 1.105 176.507 175.510 -0.180 0.000 1.310 306 N CA 0.359 53.371 53.050 -0.063 0.000 0.877 306 N CB 0.092 38.572 38.487 -0.011 0.000 1.096 306 N HN 0.274 nan 8.380 nan 0.000 0.484 307 E N 2.335 122.460 120.200 -0.124 0.000 2.409 307 E HA -0.195 4.155 4.350 -0.000 0.000 0.198 307 E C 0.150 176.763 176.600 0.023 0.000 1.024 307 E CA 0.722 57.025 56.400 -0.161 0.000 0.861 307 E CB -0.123 29.547 29.700 -0.050 0.000 0.788 307 E HN 0.510 nan 8.360 nan 0.000 0.521 308 N N 0.645 119.405 118.700 0.100 0.000 2.515 308 N HA 0.005 4.745 4.740 -0.000 0.000 0.185 308 N C 1.188 176.854 175.510 0.260 0.000 1.109 308 N CA 0.278 53.463 53.050 0.226 0.000 0.903 308 N CB 0.107 38.692 38.487 0.163 0.000 0.969 308 N HN 0.182 nan 8.380 nan 0.000 0.450 309 R N 0.245 120.804 120.500 0.099 0.000 2.246 309 R HA 0.083 4.423 4.340 -0.000 0.000 0.199 309 R C -0.018 176.360 176.300 0.129 0.000 0.984 309 R CA 0.047 56.238 56.100 0.151 0.000 1.015 309 R CB -0.318 29.985 30.300 0.006 0.000 0.930 309 R HN 0.461 nan 8.270 nan 0.000 0.475 310 H N 0.224 119.369 119.070 0.125 0.000 3.026 310 H HA 0.269 4.825 4.556 -0.000 0.000 0.289 310 H C 0.069 175.365 175.328 -0.053 0.000 1.022 310 H CA -0.144 55.915 56.048 0.019 0.000 1.477 310 H CB 0.706 30.455 29.762 -0.023 0.000 1.510 310 H HN 0.175 nan 8.280 nan 0.000 0.535 311 A N 3.854 126.611 122.820 -0.106 0.000 2.566 311 A HA 0.584 4.904 4.320 -0.000 0.000 0.292 311 A C -1.962 175.553 177.584 -0.114 0.000 1.112 311 A CA -0.632 51.190 52.037 -0.358 0.000 0.707 311 A CB 1.515 19.767 19.000 -1.247 0.000 1.302 311 A HN 0.677 nan 8.150 nan 0.000 0.409 312 Y N 0.038 120.241 120.300 -0.161 0.000 2.441 312 Y HA 0.544 5.094 4.550 -0.000 0.000 0.334 312 Y C 0.006 175.892 175.900 -0.023 0.000 1.061 312 Y CA 0.055 58.120 58.100 -0.058 0.000 1.032 312 Y CB 2.160 40.621 38.460 0.001 0.000 1.266 312 Y HN 0.906 nan 8.280 nan 0.000 0.441 313 T N 6.176 120.673 114.554 -0.096 0.000 2.794 313 T HA 0.629 4.979 4.350 -0.000 0.000 0.280 313 T C -0.984 173.843 174.700 0.211 0.000 0.987 313 T CA -0.557 61.596 62.100 0.087 0.000 0.993 313 T CB 0.378 69.255 68.868 0.016 0.000 0.939 313 T HN 0.589 nan 8.240 nan 0.000 0.449 314 L N 3.686 125.080 121.223 0.286 0.000 2.325 314 L HA 0.525 4.865 4.340 -0.000 0.000 0.279 314 L C 0.809 177.819 176.870 0.232 0.000 1.054 314 L CA -0.904 54.088 54.840 0.252 0.000 0.804 314 L CB 1.768 43.933 42.059 0.176 0.000 1.200 314 L HN 0.746 nan 8.230 nan 0.000 0.436 315 T N 4.493 119.140 114.554 0.155 0.000 2.772 315 T HA 0.585 4.935 4.350 -0.000 0.000 0.288 315 T C -0.622 174.037 174.700 -0.068 0.000 0.994 315 T CA -0.520 61.589 62.100 0.015 0.000 0.951 315 T CB 0.169 69.092 68.868 0.091 0.000 0.933 315 T HN 0.342 nan 8.240 nan 0.000 0.447 316 L N 5.016 126.144 121.223 -0.158 0.000 2.334 316 L HA 0.746 5.086 4.340 -0.000 0.000 0.276 316 L C -0.022 176.766 176.870 -0.137 0.000 1.014 316 L CA -0.967 53.785 54.840 -0.147 0.000 0.815 316 L CB 1.808 43.701 42.059 -0.276 0.000 1.268 316 L HN 0.776 nan 8.230 nan 0.000 0.428 317 E N 2.577 122.828 120.200 0.085 0.000 2.366 317 E HA 0.452 4.802 4.350 -0.000 0.000 0.278 317 E C -1.399 175.360 176.600 0.266 0.000 0.923 317 E CA -0.836 55.673 56.400 0.181 0.000 0.761 317 E CB 2.253 32.001 29.700 0.079 0.000 1.231 317 E HN 0.503 nan 8.360 nan 0.000 0.443 318 I N 2.682 123.430 120.570 0.297 0.000 2.294 318 I HA 0.090 4.260 4.170 -0.000 0.000 0.295 318 I C 0.535 176.869 176.117 0.362 0.000 1.098 318 I CA -0.342 61.104 61.300 0.243 0.000 1.277 318 I CB 0.961 39.017 38.000 0.093 0.000 1.434 318 I HN 0.502 nan 8.210 nan 0.000 0.498 319 S N 4.602 120.458 115.700 0.261 0.000 2.549 319 S HA 0.007 4.476 4.470 -0.000 0.000 0.286 319 S C 1.258 175.966 174.600 0.181 0.000 1.314 319 S CA -0.132 58.180 58.200 0.187 0.000 1.062 319 S CB 0.562 63.822 63.200 0.101 0.000 0.865 319 S HN 0.653 nan 8.310 nan 0.000 0.498 320 E N 2.113 122.219 120.200 -0.157 0.000 2.338 320 E HA -0.082 4.268 4.350 -0.000 0.000 0.197 320 E C 1.560 177.992 176.600 -0.280 0.000 1.007 320 E CA 1.042 57.047 56.400 -0.658 0.000 0.849 320 E CB 0.009 29.297 29.700 -0.686 0.000 0.774 320 E HN 0.787 nan 8.360 nan 0.000 0.506 321 S N 0.539 116.177 115.700 -0.103 0.000 2.671 321 S HA -0.026 4.444 4.470 -0.000 0.000 0.220 321 S C 0.370 174.977 174.600 0.012 0.000 0.951 321 S CA -0.299 57.872 58.200 -0.050 0.000 0.932 321 S CB 0.124 63.304 63.200 -0.033 0.000 0.777 321 S HN 0.012 nan 8.310 nan 0.000 0.508 322 D N 3.085 123.532 120.400 0.079 0.000 2.295 322 D HA 0.222 4.861 4.640 -0.000 0.000 0.248 322 D C -1.201 175.169 176.300 0.116 0.000 1.154 322 D CA -2.142 51.942 54.000 0.140 0.000 0.857 322 D CB 1.719 42.655 40.800 0.227 0.000 1.117 322 D HN 0.027 nan 8.370 nan 0.000 0.468 323 P HA -0.162 nan 4.420 nan 0.000 0.217 323 P C 0.537 177.612 177.300 -0.374 0.000 1.148 323 P CA 1.128 64.098 63.100 -0.217 0.000 0.834 323 P CB -0.022 31.478 31.700 -0.333 0.000 0.783 324 F N -2.965 117.024 119.950 0.065 0.000 2.772 324 F HA 0.265 4.792 4.527 -0.000 0.000 0.302 324 F C 1.788 177.629 175.800 0.068 0.000 1.136 324 F CA -1.077 56.952 58.000 0.048 0.000 1.322 324 F CB -0.907 38.091 39.000 -0.005 0.000 0.967 324 F HN -0.254 nan 8.300 nan 0.000 0.513 325 F N 1.959 121.971 119.950 0.104 0.000 2.052 325 F HA -0.395 4.132 4.527 -0.000 0.000 0.297 325 F C 2.250 178.091 175.800 0.068 0.000 1.166 325 F CA 2.310 60.353 58.000 0.071 0.000 1.218 325 F CB -0.474 38.548 39.000 0.037 0.000 0.943 325 F HN 0.046 nan 8.300 nan 0.000 0.521 326 D N 0.289 120.715 120.400 0.043 0.000 2.248 326 D HA -0.281 4.359 4.640 -0.000 0.000 0.189 326 D C 1.908 178.130 176.300 -0.129 0.000 1.011 326 D CA 2.185 56.142 54.000 -0.071 0.000 0.868 326 D CB -0.704 40.158 40.800 0.103 0.000 0.931 326 D HN 0.484 nan 8.370 nan 0.000 0.449 327 D N 0.584 120.973 120.400 -0.019 0.000 2.084 327 D HA -0.111 4.529 4.640 -0.000 0.000 0.194 327 D C 2.106 178.363 176.300 -0.072 0.000 0.990 327 D CA 0.870 54.866 54.000 -0.007 0.000 0.826 327 D CB -0.156 40.689 40.800 0.074 0.000 0.971 327 D HN 0.296 nan 8.370 nan 0.000 0.453 328 K N 0.257 120.597 120.400 -0.100 0.000 2.063 328 K HA -0.147 4.173 4.320 -0.000 0.000 0.208 328 K C 2.123 178.600 176.600 -0.207 0.000 1.048 328 K CA 0.462 56.661 56.287 -0.146 0.000 0.928 328 K CB -0.218 32.203 32.500 -0.133 0.000 0.713 328 K HN 0.030 nan 8.250 nan 0.000 0.442 329 L N 1.979 122.983 121.223 -0.364 0.000 2.083 329 L HA -0.191 4.149 4.340 -0.000 0.000 0.209 329 L C 1.907 178.675 176.870 -0.170 0.000 1.083 329 L CA 1.876 56.499 54.840 -0.362 0.000 0.752 329 L CB -0.572 41.082 42.059 -0.674 0.000 0.899 329 L HN 0.191 nan 8.230 nan 0.000 0.433 330 D N -0.840 119.478 120.400 -0.136 0.000 2.084 330 D HA -0.165 4.474 4.640 -0.000 0.000 0.194 330 D C 2.110 178.394 176.300 -0.026 0.000 0.990 330 D CA 1.870 55.835 54.000 -0.059 0.000 0.826 330 D CB 0.221 41.001 40.800 -0.034 0.000 0.971 330 D HN 0.272 nan 8.370 nan 0.000 0.453 331 V N 1.769 121.675 119.914 -0.013 0.000 2.324 331 V HA -0.290 3.830 4.120 -0.000 0.000 0.250 331 V C 2.711 178.848 176.094 0.072 0.000 1.060 331 V CA 1.988 64.322 62.300 0.057 0.000 1.042 331 V CB -0.979 30.888 31.823 0.074 0.000 0.650 331 V HN 0.252 nan 8.190 nan 0.000 0.450 332 A N 0.066 122.902 122.820 0.028 0.000 1.851 332 A HA -0.260 4.060 4.320 -0.000 0.000 0.216 332 A C 2.190 179.814 177.584 0.067 0.000 1.195 332 A CA 2.037 54.111 52.037 0.063 0.000 0.622 332 A CB -0.538 18.474 19.000 0.020 0.000 0.831 332 A HN 0.657 nan 8.150 nan 0.000 0.444 333 E N 0.046 120.259 120.200 0.022 0.000 2.106 333 E HA -0.091 4.259 4.350 -0.000 0.000 0.192 333 E C 2.099 178.666 176.600 -0.056 0.000 0.984 333 E CA 1.157 57.553 56.400 -0.006 0.000 0.806 333 E CB -0.236 29.460 29.700 -0.007 0.000 0.750 333 E HN 0.531 nan 8.360 nan 0.000 0.458 334 S N 1.139 116.808 115.700 -0.052 0.000 2.469 334 S HA -0.040 4.430 4.470 -0.000 0.000 0.238 334 S C 1.140 175.659 174.600 -0.135 0.000 0.998 334 S CA 0.617 58.778 58.200 -0.064 0.000 0.957 334 S CB -0.040 63.146 63.200 -0.023 0.000 0.764 334 S HN 0.257 nan 8.310 nan 0.000 0.514 335 N N 0.222 118.789 118.700 -0.221 0.000 2.282 335 N HA 0.219 4.959 4.740 -0.000 0.000 0.240 335 N C 0.680 175.914 175.510 -0.460 0.000 1.182 335 N CA 0.467 53.255 53.050 -0.436 0.000 0.874 335 N CB 1.150 39.058 38.487 -0.965 0.000 1.126 335 N HN 0.417 nan 8.380 nan 0.000 0.516 336 G N 0.860 109.450 108.800 -0.350 0.000 2.160 336 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.244 336 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.244 336 G C -0.374 174.112 174.900 -0.690 0.000 1.022 336 G CA -0.066 44.739 45.100 -0.492 0.000 0.741 336 G HN 0.286 nan 8.290 nan 0.000 0.508 337 F N -0.231 119.670 119.950 -0.082 0.000 2.588 337 F HA 0.786 5.313 4.527 -0.000 0.000 0.314 337 F C 0.509 176.352 175.800 0.073 0.000 1.069 337 F CA -0.406 57.623 58.000 0.048 0.000 0.931 337 F CB 1.889 41.040 39.000 0.251 0.000 1.260 337 F HN 0.296 nan 8.300 nan 0.000 0.465 338 A N 1.063 124.063 122.820 0.299 0.000 2.242 338 A HA 0.313 4.633 4.320 -0.000 0.000 0.304 338 A C 1.123 178.852 177.584 0.242 0.000 1.100 338 A CA -0.404 51.747 52.037 0.190 0.000 0.860 338 A CB 0.817 19.884 19.000 0.112 0.000 1.168 338 A HN 0.814 nan 8.150 nan 0.000 0.503 339 Q N -0.524 119.378 119.800 0.171 0.000 2.197 339 Q HA -0.105 4.235 4.340 -0.000 0.000 0.207 339 Q C -0.312 175.816 176.000 0.214 0.000 0.984 339 Q CA 1.684 57.603 55.803 0.194 0.000 0.869 339 Q CB -0.075 28.788 28.738 0.209 0.000 0.906 339 Q HN 0.706 nan 8.270 nan 0.000 0.426 340 T N 0.346 114.967 114.554 0.111 0.000 2.841 340 T HA 0.676 5.026 4.350 -0.000 0.000 0.285 340 T C -1.295 173.278 174.700 -0.212 0.000 0.991 340 T CA -0.289 61.773 62.100 -0.063 0.000 0.966 340 T CB 1.615 70.413 68.868 -0.117 0.000 0.962 340 T HN 0.230 nan 8.240 nan 0.000 0.438 341 A N 3.106 125.683 122.820 -0.405 0.000 2.401 341 A HA 0.839 5.159 4.320 -0.000 0.000 0.310 341 A C -1.762 175.428 177.584 -0.657 0.000 1.075 341 A CA -0.731 51.037 52.037 -0.449 0.000 0.746 341 A CB 1.052 19.832 19.000 -0.367 0.000 1.277 341 A HN 0.811 nan 8.150 nan 0.000 0.425 342 Y N 0.346 120.479 120.300 -0.278 0.000 2.335 342 Y HA 0.602 5.152 4.550 -0.000 0.000 0.338 342 Y C -0.862 174.851 175.900 -0.311 0.000 0.977 342 Y CA -0.348 57.651 58.100 -0.168 0.000 1.114 342 Y CB 1.608 40.005 38.460 -0.105 0.000 1.182 342 Y HN 0.524 nan 8.280 nan 0.000 0.463 343 F N 2.678 122.705 119.950 0.128 0.000 2.426 343 F HA 0.330 4.857 4.527 -0.000 0.000 0.348 343 F C -0.242 175.653 175.800 0.159 0.000 1.124 343 F CA -1.257 56.825 58.000 0.138 0.000 1.008 343 F CB 1.099 40.154 39.000 0.092 0.000 1.139 343 F HN 0.416 nan 8.300 nan 0.000 0.452 344 D N 4.889 125.477 120.400 0.314 0.000 2.277 344 D HA 0.337 4.977 4.640 -0.000 0.000 0.249 344 D C -0.045 176.460 176.300 0.342 0.000 1.134 344 D CA 0.189 54.349 54.000 0.267 0.000 0.863 344 D CB 1.813 42.798 40.800 0.309 0.000 1.143 344 D HN 0.364 nan 8.370 nan 0.000 0.458 345 I N 2.899 123.613 120.570 0.240 0.000 2.354 345 I HA 0.225 4.395 4.170 -0.000 0.000 0.286 345 I C -0.317 175.920 176.117 0.199 0.000 1.007 345 I CA -0.683 60.781 61.300 0.274 0.000 1.167 345 I CB 0.628 38.771 38.000 0.238 0.000 1.320 345 I HN 0.050 nan 8.210 nan 0.000 0.458 346 F N 5.094 125.143 119.950 0.166 0.000 2.397 346 F HA 0.292 4.819 4.527 -0.000 0.000 0.331 346 F C 0.303 176.219 175.800 0.193 0.000 1.090 346 F CA -0.444 57.665 58.000 0.182 0.000 1.065 346 F CB 0.681 39.768 39.000 0.144 0.000 1.184 346 F HN 0.292 nan 8.300 nan 0.000 0.499 347 Y N 3.749 124.210 120.300 0.268 0.000 2.702 347 Y HA -0.031 4.519 4.550 -0.000 0.000 0.336 347 Y C 1.143 177.152 175.900 0.181 0.000 1.235 347 Y CA 0.276 58.493 58.100 0.196 0.000 1.492 347 Y CB 0.123 38.706 38.460 0.204 0.000 1.308 347 Y HN 0.714 nan 8.280 nan 0.000 0.589 348 N N 1.689 120.105 118.700 -0.472 0.000 2.765 348 N HA -0.310 4.430 4.740 -0.000 0.000 0.248 348 N C -0.259 175.212 175.510 -0.064 0.000 1.063 348 N CA 1.371 54.243 53.050 -0.297 0.000 0.862 348 N CB -0.727 37.653 38.487 -0.179 0.000 1.145 348 N HN 0.689 nan 8.380 nan 0.000 0.581 349 R N 0.962 121.480 120.500 0.029 0.000 2.598 349 R HA 0.342 4.682 4.340 -0.000 0.000 0.279 349 R C 0.420 176.750 176.300 0.050 0.000 0.984 349 R CA -0.098 56.038 56.100 0.059 0.000 0.999 349 R CB 0.881 31.255 30.300 0.124 0.000 1.114 349 R HN 0.179 nan 8.270 nan 0.000 0.493 350 T N 0.769 115.343 114.554 0.034 0.000 2.900 350 T HA 0.164 4.514 4.350 -0.000 0.000 0.307 350 T C 0.744 175.485 174.700 0.069 0.000 1.065 350 T CA -0.610 61.507 62.100 0.027 0.000 1.105 350 T CB 0.408 69.285 68.868 0.014 0.000 0.979 350 T HN 0.383 nan 8.240 nan 0.000 0.544 351 L N 4.224 125.481 121.223 0.056 0.000 2.601 351 L HA 0.175 4.514 4.340 -0.000 0.000 0.277 351 L C -1.298 175.652 176.870 0.133 0.000 1.219 351 L CA -1.470 53.429 54.840 0.099 0.000 0.915 351 L CB -0.356 41.732 42.059 0.050 0.000 1.160 351 L HN 0.624 nan 8.230 nan 0.000 0.494 352 P HA 0.010 nan 4.420 nan 0.000 0.263 352 P C -2.405 175.054 177.300 0.266 0.000 1.175 352 P CA -0.875 62.380 63.100 0.259 0.000 0.761 352 P CB -0.315 31.611 31.700 0.377 0.000 0.794 353 P HA -0.011 nan 4.420 nan 0.000 0.267 353 P C 0.991 178.549 177.300 0.431 0.000 1.200 353 P CA 0.962 64.224 63.100 0.271 0.000 0.772 353 P CB 0.258 32.106 31.700 0.247 0.000 0.855 354 G N 1.293 110.324 108.800 0.385 0.000 2.358 354 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.224 354 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.224 354 G C 0.714 175.611 174.900 -0.005 0.000 1.073 354 G CA 0.302 45.696 45.100 0.489 0.000 0.635 354 G HN 0.574 nan 8.290 nan 0.000 0.509 355 L N 1.452 122.491 121.223 -0.307 0.000 1.971 355 L HA 0.097 4.437 4.340 -0.000 0.000 0.215 355 L C 2.813 179.429 176.870 -0.424 0.000 1.072 355 L CA 2.943 57.223 54.840 -0.934 0.000 0.758 355 L CB -0.853 40.938 42.059 -0.447 0.000 0.889 355 L HN 0.482 nan 8.230 nan 0.000 0.433 356 L N 0.066 121.188 121.223 -0.169 0.000 1.970 356 L HA -0.159 4.181 4.340 -0.000 0.000 0.212 356 L C -0.098 176.671 176.870 -0.168 0.000 1.071 356 L CA 1.903 56.684 54.840 -0.098 0.000 0.751 356 L CB -2.225 39.798 42.059 -0.060 0.000 0.889 356 L HN 0.306 nan 8.230 nan 0.000 0.432 357 P HA -0.257 nan 4.420 nan 0.000 0.218 357 P C 1.432 178.454 177.300 -0.464 0.000 1.148 357 P CA 1.718 64.530 63.100 -0.481 0.000 0.822 357 P CB -0.105 31.110 31.700 -0.809 0.000 0.784 358 Y N 0.493 120.555 120.300 -0.397 0.000 2.200 358 Y HA -0.112 4.438 4.550 -0.000 0.000 0.290 358 Y C 2.604 178.368 175.900 -0.227 0.000 1.137 358 Y CA 1.094 59.036 58.100 -0.263 0.000 1.163 358 Y CB -0.711 37.593 38.460 -0.260 0.000 0.988 358 Y HN -0.259 nan 8.280 nan 0.000 0.518 359 L N -0.248 120.970 121.223 -0.008 0.000 2.012 359 L HA -0.283 4.057 4.340 -0.000 0.000 0.210 359 L C 2.524 179.350 176.870 -0.073 0.000 1.073 359 L CA 1.618 56.444 54.840 -0.024 0.000 0.748 359 L CB -0.468 41.557 42.059 -0.057 0.000 0.891 359 L HN 0.200 nan 8.230 nan 0.000 0.431 360 R N -0.548 119.874 120.500 -0.129 0.000 2.091 360 R HA -0.213 4.127 4.340 -0.000 0.000 0.238 360 R C 2.172 178.350 176.300 -0.202 0.000 1.136 360 R CA 1.341 57.346 56.100 -0.157 0.000 0.959 360 R CB -0.556 29.632 30.300 -0.187 0.000 0.856 360 R HN 0.190 nan 8.270 nan 0.000 0.437 361 L N 0.676 121.741 121.223 -0.264 0.000 2.046 361 L HA -0.136 4.204 4.340 -0.000 0.000 0.208 361 L C 2.050 178.796 176.870 -0.206 0.000 1.077 361 L CA 1.571 56.240 54.840 -0.286 0.000 0.747 361 L CB -0.322 41.507 42.059 -0.383 0.000 0.896 361 L HN -0.079 nan 8.230 nan 0.000 0.432 362 V N -0.051 119.777 119.914 -0.144 0.000 2.407 362 V HA -0.210 3.910 4.120 -0.000 0.000 0.248 362 V C 2.406 178.476 176.094 -0.040 0.000 1.055 362 V CA 1.602 63.877 62.300 -0.040 0.000 1.049 362 V CB -0.980 30.884 31.823 0.067 0.000 0.662 362 V HN 0.600 nan 8.190 nan 0.000 0.455 363 A N -1.227 121.552 122.820 -0.069 0.000 2.345 363 A HA 0.210 4.530 4.320 -0.000 0.000 0.225 363 A C 1.688 179.209 177.584 -0.104 0.000 1.243 363 A CA -0.043 51.954 52.037 -0.066 0.000 0.875 363 A CB -0.190 18.773 19.000 -0.062 0.000 0.929 363 A HN 0.349 nan 8.150 nan 0.000 0.502 364 L N 0.432 121.563 121.223 -0.152 0.000 2.021 364 L HA -0.057 4.283 4.340 -0.000 0.000 0.241 364 L C 1.386 178.127 176.870 -0.215 0.000 1.101 364 L CA 2.433 57.136 54.840 -0.229 0.000 0.830 364 L CB -1.241 40.632 42.059 -0.309 0.000 0.924 364 L HN 1.076 nan 8.230 nan 0.000 0.444 365 G N -3.915 104.758 108.800 -0.211 0.000 2.764 365 G HA2 0.074 4.034 3.960 -0.000 0.000 0.686 365 G HA3 0.074 4.034 3.960 -0.000 0.000 0.686 365 G C 0.753 175.544 174.900 -0.183 0.000 1.258 365 G CA 0.046 45.067 45.100 -0.131 0.000 0.846 365 G HN 1.106 nan 8.290 nan 0.000 0.596 366 G N 1.103 109.888 108.800 -0.024 0.000 3.051 366 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.266 366 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.266 366 G C 2.011 176.891 174.900 -0.033 0.000 1.060 366 G CA 2.914 48.033 45.100 0.032 0.000 0.757 366 G HN 1.977 nan 8.290 nan 0.000 0.926 367 T N 1.122 115.671 114.554 -0.008 0.000 2.602 367 T HA -0.204 4.146 4.350 -0.000 0.000 0.264 367 T C 1.632 176.367 174.700 0.058 0.000 1.085 367 T CA 2.008 64.117 62.100 0.015 0.000 1.164 367 T CB -0.439 68.426 68.868 -0.004 0.000 0.860 367 T HN 0.525 nan 8.240 nan 0.000 0.442 368 D N 0.833 121.202 120.400 -0.051 0.000 2.325 368 D HA 0.356 4.996 4.640 -0.000 0.000 0.225 368 D C 1.735 177.723 176.300 -0.519 0.000 1.096 368 D CA 0.288 54.193 54.000 -0.158 0.000 0.844 368 D CB -0.081 40.545 40.800 -0.290 0.000 0.925 368 D HN 0.421 nan 8.370 nan 0.000 0.513 369 A N 0.999 123.582 122.820 -0.396 0.000 2.125 369 A HA -0.156 4.164 4.320 -0.000 0.000 0.219 369 A C 1.818 179.148 177.584 -0.425 0.000 1.156 369 A CA 0.514 52.178 52.037 -0.621 0.000 0.671 369 A CB -1.091 17.375 19.000 -0.890 0.000 0.794 369 A HN 0.391 nan 8.150 nan 0.000 0.459 370 F N -0.505 119.302 119.950 -0.239 0.000 2.202 370 F HA -0.149 4.378 4.527 -0.000 0.000 0.301 370 F C 1.441 177.131 175.800 -0.183 0.000 1.082 370 F CA 1.277 59.193 58.000 -0.140 0.000 1.313 370 F CB -0.883 38.047 39.000 -0.116 0.000 1.024 370 F HN 0.102 nan 8.300 nan 0.000 0.495 371 L N 0.431 120.825 121.223 -1.382 0.000 2.353 371 L HA -0.125 4.215 4.340 -0.000 0.000 0.220 371 L C 2.146 178.799 176.870 -0.363 0.000 1.133 371 L CA 0.648 54.819 54.840 -1.114 0.000 0.798 371 L CB -0.561 40.724 42.059 -1.289 0.000 0.922 371 L HN 0.322 nan 8.230 nan 0.000 0.445 372 L N -0.951 120.104 121.223 -0.280 0.000 2.554 372 L HA -0.010 4.330 4.340 -0.000 0.000 0.226 372 L C 1.067 177.962 176.870 0.042 0.000 1.137 372 L CA -0.221 54.557 54.840 -0.104 0.000 0.863 372 L CB -0.207 41.775 42.059 -0.129 0.000 0.985 372 L HN 0.149 nan 8.230 nan 0.000 0.451 373 E N 0.130 120.404 120.200 0.123 0.000 2.422 373 E HA -0.059 4.291 4.350 -0.000 0.000 0.260 373 E C 1.369 178.066 176.600 0.160 0.000 1.108 373 E CA 0.494 56.999 56.400 0.176 0.000 0.943 373 E CB 0.877 30.736 29.700 0.265 0.000 0.961 373 E HN 0.130 nan 8.360 nan 0.000 0.443 374 S N 2.430 118.188 115.700 0.097 0.000 2.419 374 S HA -0.214 4.256 4.470 -0.000 0.000 0.233 374 S C 1.793 176.406 174.600 0.021 0.000 1.016 374 S CA 0.913 59.149 58.200 0.060 0.000 0.974 374 S CB -0.280 62.943 63.200 0.038 0.000 0.786 374 S HN 0.544 nan 8.310 nan 0.000 0.492 375 L N 0.552 121.747 121.223 -0.046 0.000 2.187 375 L HA 0.136 4.476 4.340 -0.000 0.000 0.213 375 L C 1.425 178.093 176.870 -0.338 0.000 1.100 375 L CA 1.588 56.283 54.840 -0.242 0.000 0.765 375 L CB -0.691 41.115 42.059 -0.423 0.000 0.904 375 L HN 0.319 nan 8.230 nan 0.000 0.437 376 F N -1.711 118.283 119.950 0.074 0.000 2.721 376 F HA 0.233 4.760 4.527 -0.000 0.000 0.301 376 F C 1.646 177.493 175.800 0.078 0.000 1.096 376 F CA -0.390 57.665 58.000 0.091 0.000 1.308 376 F CB -0.139 38.895 39.000 0.057 0.000 1.086 376 F HN -0.189 nan 8.300 nan 0.000 0.587 377 R N 0.784 121.400 120.500 0.194 0.000 2.425 377 R HA -0.116 4.224 4.340 -0.000 0.000 0.206 377 R C 0.629 177.004 176.300 0.125 0.000 1.117 377 R CA 0.663 56.846 56.100 0.139 0.000 1.098 377 R CB -0.905 29.448 30.300 0.089 0.000 0.843 377 R HN 0.370 nan 8.270 nan 0.000 0.480 378 D N -1.694 118.792 120.400 0.143 0.000 2.473 378 D HA 0.021 4.661 4.640 -0.000 0.000 0.242 378 D C 0.802 177.182 176.300 0.133 0.000 1.106 378 D CA 0.775 54.843 54.000 0.113 0.000 0.854 378 D CB 0.961 41.808 40.800 0.077 0.000 1.192 378 D HN 0.272 nan 8.370 nan 0.000 0.503 379 T N -1.524 113.147 114.554 0.194 0.000 3.004 379 T HA 0.188 4.538 4.350 -0.000 0.000 0.266 379 T C 1.963 176.740 174.700 0.127 0.000 0.986 379 T CA -0.240 61.940 62.100 0.132 0.000 0.902 379 T CB 0.201 69.197 68.868 0.213 0.000 1.118 379 T HN 0.022 nan 8.240 nan 0.000 0.522 380 I N 0.185 120.914 120.570 0.265 0.000 2.118 380 I HA -0.149 4.021 4.170 -0.000 0.000 0.241 380 I C 2.267 178.443 176.117 0.098 0.000 1.070 380 I CA 1.609 63.023 61.300 0.189 0.000 1.327 380 I CB -0.127 37.946 38.000 0.122 0.000 1.034 380 I HN 0.438 nan 8.210 nan 0.000 0.405 381 W N 1.738 123.045 121.300 0.011 0.000 2.374 381 W HA -0.145 4.515 4.660 -0.000 0.000 0.288 381 W C 2.141 178.656 176.519 -0.006 0.000 1.218 381 W CA 1.600 58.949 57.345 0.007 0.000 1.245 381 W CB -0.505 28.979 29.460 0.041 0.000 1.126 381 W HN 0.316 nan 8.180 nan 0.000 0.545 382 G N -0.713 108.114 108.800 0.046 0.000 2.422 382 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.218 382 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.218 382 G C 1.281 176.083 174.900 -0.163 0.000 1.146 382 G CA 1.003 46.059 45.100 -0.072 0.000 0.769 382 G HN 0.295 nan 8.290 nan 0.000 0.547 383 H N 0.286 119.337 119.070 -0.031 0.000 2.363 383 H HA 0.115 4.671 4.556 -0.000 0.000 0.301 383 H C 2.745 177.970 175.328 -0.171 0.000 1.074 383 H CA 0.727 56.745 56.048 -0.050 0.000 1.354 383 H CB -0.357 29.364 29.762 -0.067 0.000 1.397 383 H HN 0.248 nan 8.280 nan 0.000 0.516 384 L N 0.519 121.618 121.223 -0.206 0.000 2.131 384 L HA -0.173 4.167 4.340 -0.000 0.000 0.210 384 L C 2.497 179.126 176.870 -0.403 0.000 1.092 384 L CA 1.144 55.744 54.840 -0.400 0.000 0.759 384 L CB -0.240 41.381 42.059 -0.729 0.000 0.903 384 L HN 0.255 nan 8.230 nan 0.000 0.435 385 E N -0.001 119.962 120.200 -0.395 0.000 2.072 385 E HA -0.167 4.183 4.350 -0.000 0.000 0.190 385 E C 2.234 178.763 176.600 -0.118 0.000 0.982 385 E CA 0.862 57.113 56.400 -0.249 0.000 0.803 385 E CB 0.119 29.734 29.700 -0.141 0.000 0.755 385 E HN 0.391 nan 8.360 nan 0.000 0.453 386 L N -0.500 120.682 121.223 -0.070 0.000 2.022 386 L HA 0.036 4.376 4.340 -0.000 0.000 0.204 386 L C 0.528 177.380 176.870 -0.031 0.000 1.076 386 L CA 0.733 55.556 54.840 -0.029 0.000 0.749 386 L CB -0.019 42.056 42.059 0.027 0.000 0.903 386 L HN 0.079 nan 8.230 nan 0.000 0.439 387 S N -3.893 111.818 115.700 0.019 0.000 2.785 387 S HA 0.150 4.620 4.470 -0.000 0.000 0.286 387 S C -0.280 174.419 174.600 0.164 0.000 0.918 387 S CA -0.687 57.561 58.200 0.080 0.000 0.866 387 S CB 0.617 63.854 63.200 0.061 0.000 1.087 387 S HN -0.193 nan 8.310 nan 0.000 0.472 388 V N 1.125 121.118 119.914 0.132 0.000 2.391 388 V HA 0.467 4.587 4.120 -0.000 0.000 0.237 388 V C 1.073 177.235 176.094 0.113 0.000 1.046 388 V CA 1.497 63.820 62.300 0.039 0.000 1.053 388 V CB -0.332 31.409 31.823 -0.136 0.000 0.704 388 V HN 1.504 nan 8.190 nan 0.000 0.475 389 S N -1.758 113.901 115.700 -0.068 0.000 2.595 389 S HA 0.400 4.870 4.470 -0.000 0.000 0.270 389 S C 0.149 174.137 174.600 -1.020 0.000 1.145 389 S CA -0.445 57.457 58.200 -0.498 0.000 0.825 389 S CB 2.092 65.153 63.200 -0.232 0.000 1.107 389 S HN 0.189 nan 8.310 nan 0.000 0.461 390 R N 0.521 120.158 120.500 -1.439 0.000 2.091 390 R HA -0.140 4.200 4.340 -0.000 0.000 0.238 390 R C 0.963 177.041 176.300 -0.370 0.000 1.136 390 R CA 2.256 57.817 56.100 -0.898 0.000 0.959 390 R CB -0.581 29.423 30.300 -0.494 0.000 0.856 390 R HN 0.764 nan 8.270 nan 0.000 0.437 391 D N 0.047 120.275 120.400 -0.286 0.000 2.123 391 D HA -0.213 4.427 4.640 -0.000 0.000 0.196 391 D C 1.583 177.802 176.300 -0.135 0.000 0.992 391 D CA 1.031 54.935 54.000 -0.159 0.000 0.833 391 D CB -0.495 40.231 40.800 -0.122 0.000 0.954 391 D HN 0.368 nan 8.370 nan 0.000 0.455 392 N N 0.994 119.597 118.700 -0.163 0.000 2.120 392 N HA -0.190 4.550 4.740 -0.000 0.000 0.188 392 N C 1.707 177.172 175.510 -0.074 0.000 1.024 392 N CA 1.091 54.069 53.050 -0.120 0.000 0.852 392 N CB 0.143 38.548 38.487 -0.136 0.000 1.003 392 N HN -0.001 nan 8.380 nan 0.000 0.424 393 E N 1.292 121.453 120.200 -0.064 0.000 2.031 393 E HA -0.170 4.180 4.350 -0.000 0.000 0.193 393 E C 1.829 178.447 176.600 0.030 0.000 0.994 393 E CA 1.353 57.772 56.400 0.032 0.000 0.800 393 E CB -0.369 29.414 29.700 0.139 0.000 0.752 393 E HN 0.433 nan 8.360 nan 0.000 0.447 394 E N -0.144 120.052 120.200 -0.006 0.000 2.097 394 E HA -0.222 4.128 4.350 -0.000 0.000 0.196 394 E C 2.193 178.791 176.600 -0.002 0.000 1.000 394 E CA 1.139 57.541 56.400 0.003 0.000 0.804 394 E CB -0.226 29.461 29.700 -0.021 0.000 0.740 394 E HN 0.317 nan 8.360 nan 0.000 0.454 395 L N 0.538 121.747 121.223 -0.024 0.000 1.994 395 L HA -0.205 4.135 4.340 -0.000 0.000 0.208 395 L C 2.661 179.514 176.870 -0.029 0.000 1.071 395 L CA 1.419 56.242 54.840 -0.028 0.000 0.745 395 L CB -0.430 41.605 42.059 -0.040 0.000 0.892 395 L HN 0.335 nan 8.230 nan 0.000 0.431 396 L N -2.571 118.638 121.223 -0.024 0.000 2.131 396 L HA -0.155 4.185 4.340 -0.000 0.000 0.210 396 L C 2.458 179.293 176.870 -0.058 0.000 1.092 396 L CA 1.489 56.304 54.840 -0.041 0.000 0.759 396 L CB -1.674 40.376 42.059 -0.016 0.000 0.903 396 L HN 0.150 nan 8.230 nan 0.000 0.435 397 C N 0.112 119.432 119.300 0.032 0.000 2.436 397 C HA -0.140 4.319 4.460 -0.000 0.000 0.277 397 C C 2.952 177.928 174.990 -0.024 0.000 1.241 397 C CA 1.363 60.433 59.018 0.087 0.000 1.721 397 C CB -0.808 27.026 27.740 0.157 0.000 2.043 397 C HN 0.698 nan 8.230 nan 0.000 0.472 398 K N 0.935 121.324 120.400 -0.018 0.000 2.026 398 K HA -0.128 4.192 4.320 -0.000 0.000 0.208 398 K C 2.118 178.677 176.600 -0.068 0.000 1.048 398 K CA 1.587 57.855 56.287 -0.032 0.000 0.929 398 K CB -0.341 32.147 32.500 -0.020 0.000 0.713 398 K HN 0.393 nan 8.250 nan 0.000 0.439 399 A N 0.582 123.354 122.820 -0.081 0.000 1.892 399 A HA -0.164 4.156 4.320 -0.000 0.000 0.218 399 A C 2.255 179.749 177.584 -0.150 0.000 1.188 399 A CA 1.984 53.965 52.037 -0.095 0.000 0.631 399 A CB -0.823 18.125 19.000 -0.086 0.000 0.822 399 A HN 0.187 nan 8.150 nan 0.000 0.447 400 V N 0.012 119.772 119.914 -0.257 0.000 2.244 400 V HA -0.266 3.854 4.120 -0.000 0.000 0.244 400 V C 2.635 178.566 176.094 -0.273 0.000 1.042 400 V CA 2.228 64.286 62.300 -0.403 0.000 1.006 400 V CB -0.840 30.403 31.823 -0.966 0.000 0.641 400 V HN 0.536 nan 8.190 nan 0.000 0.446 401 R N -0.208 120.172 120.500 -0.200 0.000 2.105 401 R HA -0.168 4.172 4.340 -0.000 0.000 0.239 401 R C 2.259 178.516 176.300 -0.071 0.000 1.135 401 R CA 1.375 57.420 56.100 -0.092 0.000 0.967 401 R CB -0.362 29.922 30.300 -0.025 0.000 0.861 401 R HN 0.534 nan 8.270 nan 0.000 0.442 402 E N 0.626 120.784 120.200 -0.071 0.000 2.072 402 E HA -0.118 4.232 4.350 -0.000 0.000 0.191 402 E C 2.013 178.582 176.600 -0.051 0.000 0.985 402 E CA 1.256 57.627 56.400 -0.048 0.000 0.801 402 E CB -0.193 29.483 29.700 -0.041 0.000 0.750 402 E HN 0.331 nan 8.360 nan 0.000 0.452 403 A N 0.832 123.608 122.820 -0.072 0.000 1.902 403 A HA -0.179 4.141 4.320 -0.000 0.000 0.217 403 A C 2.646 180.189 177.584 -0.068 0.000 1.181 403 A CA 1.394 53.395 52.037 -0.061 0.000 0.623 403 A CB -0.903 18.053 19.000 -0.073 0.000 0.818 403 A HN 0.330 nan 8.150 nan 0.000 0.443 404 C N -0.447 118.795 119.300 -0.097 0.000 2.442 404 C HA -0.109 4.351 4.460 -0.000 0.000 0.279 404 C C 2.734 177.691 174.990 -0.056 0.000 1.237 404 C CA 1.385 60.340 59.018 -0.105 0.000 1.722 404 C CB -1.127 26.552 27.740 -0.100 0.000 2.056 404 C HN 0.642 nan 8.230 nan 0.000 0.469 405 K N 0.809 121.187 120.400 -0.036 0.000 2.032 405 K HA -0.188 4.132 4.320 -0.000 0.000 0.209 405 K C 2.318 178.919 176.600 0.002 0.000 1.048 405 K CA 1.798 58.077 56.287 -0.012 0.000 0.927 405 K CB -0.473 32.021 32.500 -0.011 0.000 0.712 405 K HN 0.446 nan 8.250 nan 0.000 0.441 406 S N 0.576 116.273 115.700 -0.006 0.000 2.359 406 S HA -0.180 4.290 4.470 -0.000 0.000 0.224 406 S C 2.111 176.723 174.600 0.018 0.000 1.035 406 S CA 1.332 59.534 58.200 0.003 0.000 1.018 406 S CB -0.262 62.935 63.200 -0.005 0.000 0.876 406 S HN 0.391 nan 8.310 nan 0.000 0.448 407 A N 1.494 124.327 122.820 0.020 0.000 1.877 407 A HA 0.065 4.385 4.320 -0.000 0.000 0.216 407 A C 2.204 179.885 177.584 0.162 0.000 1.186 407 A CA 1.441 53.514 52.037 0.061 0.000 0.620 407 A CB -0.950 18.074 19.000 0.040 0.000 0.822 407 A HN 0.577 nan 8.150 nan 0.000 0.443 408 L N -0.789 120.523 121.223 0.147 0.000 2.263 408 L HA -0.246 4.094 4.340 -0.000 0.000 0.216 408 L C 2.868 179.879 176.870 0.235 0.000 1.111 408 L CA 0.871 55.836 54.840 0.208 0.000 0.773 408 L CB -0.395 41.694 42.059 0.051 0.000 0.906 408 L HN 0.496 nan 8.230 nan 0.000 0.439 409 A N -0.230 122.667 122.820 0.129 0.000 2.021 409 A HA 0.026 4.346 4.320 -0.000 0.000 0.216 409 A C 2.349 179.976 177.584 0.071 0.000 1.163 409 A CA 1.042 53.132 52.037 0.088 0.000 0.676 409 A CB -0.748 18.278 19.000 0.043 0.000 0.818 409 A HN 0.407 nan 8.150 nan 0.000 0.453 410 G N -1.193 107.612 108.800 0.009 0.000 2.470 410 G HA2 -0.033 3.927 3.960 -0.000 0.000 0.220 410 G HA3 -0.033 3.927 3.960 -0.000 0.000 0.220 410 G C 0.452 175.250 174.900 -0.171 0.000 1.121 410 G CA 0.301 45.329 45.100 -0.120 0.000 0.766 410 G HN 0.484 nan 8.290 nan 0.000 0.553 411 Y N 0.613 120.948 120.300 0.058 0.000 2.346 411 Y HA 0.209 4.759 4.550 -0.000 0.000 0.330 411 Y C 1.665 177.614 175.900 0.081 0.000 1.178 411 Y CA -0.428 57.715 58.100 0.073 0.000 1.331 411 Y CB 0.663 39.132 38.460 0.016 0.000 1.253 411 Y HN 0.327 nan 8.280 nan 0.000 0.529 412 H N 0.061 119.209 119.070 0.130 0.000 2.519 412 H HA 0.231 4.787 4.556 -0.000 0.000 0.289 412 H C -0.773 174.605 175.328 0.084 0.000 1.040 412 H CA 0.375 56.472 56.048 0.082 0.000 1.165 412 H CB -0.300 29.492 29.762 0.049 0.000 1.462 412 H HN 0.575 nan 8.280 nan 0.000 0.555 413 T N -1.403 113.003 114.554 -0.246 0.000 2.982 413 T HA 0.335 4.685 4.350 -0.000 0.000 0.321 413 T C -0.123 174.516 174.700 -0.102 0.000 1.229 413 T CA -0.580 61.382 62.100 -0.230 0.000 1.044 413 T CB 2.113 70.762 68.868 -0.365 0.000 1.184 413 T HN 0.297 nan 8.240 nan 0.000 0.477 414 T N 0.159 114.668 114.554 -0.075 0.000 2.913 414 T HA 0.495 4.845 4.350 -0.000 0.000 0.287 414 T C 1.666 176.317 174.700 -0.080 0.000 1.008 414 T CA -1.013 61.050 62.100 -0.062 0.000 1.067 414 T CB 0.303 69.148 68.868 -0.039 0.000 0.996 414 T HN 0.598 nan 8.240 nan 0.000 0.513 415 I N 0.918 121.434 120.570 -0.091 0.000 2.194 415 I HA -0.222 3.948 4.170 -0.000 0.000 0.246 415 I C 2.498 178.576 176.117 -0.066 0.000 1.093 415 I CA 1.648 62.889 61.300 -0.097 0.000 1.355 415 I CB -0.475 37.465 38.000 -0.100 0.000 1.046 415 I HN 0.714 nan 8.210 nan 0.000 0.413 416 E N 0.637 120.807 120.200 -0.049 0.000 2.118 416 E HA -0.253 4.097 4.350 -0.000 0.000 0.195 416 E C 2.148 178.730 176.600 -0.031 0.000 0.992 416 E CA 1.159 57.540 56.400 -0.033 0.000 0.804 416 E CB -0.236 29.450 29.700 -0.024 0.000 0.741 416 E HN 0.548 nan 8.360 nan 0.000 0.458 417 Q N 0.157 119.934 119.800 -0.039 0.000 2.083 417 Q HA -0.119 4.221 4.340 -0.000 0.000 0.198 417 Q C 1.507 177.485 176.000 -0.036 0.000 0.969 417 Q CA 1.155 56.936 55.803 -0.036 0.000 0.838 417 Q CB 0.095 28.805 28.738 -0.046 0.000 0.900 417 Q HN 0.296 nan 8.270 nan 0.000 0.436 418 D N 0.694 121.064 120.400 -0.050 0.000 2.078 418 D HA -0.138 4.502 4.640 -0.000 0.000 0.193 418 D C 1.873 178.158 176.300 -0.025 0.000 0.990 418 D CA 1.122 55.097 54.000 -0.041 0.000 0.827 418 D CB -0.179 40.584 40.800 -0.061 0.000 0.975 418 D HN 0.128 nan 8.370 nan 0.000 0.451 419 R N 0.721 121.203 120.500 -0.030 0.000 2.139 419 R HA -0.137 4.203 4.340 -0.000 0.000 0.243 419 R C 2.241 178.535 176.300 -0.009 0.000 1.145 419 R CA 1.078 57.166 56.100 -0.019 0.000 0.976 419 R CB -0.119 30.167 30.300 -0.023 0.000 0.866 419 R HN 0.328 nan 8.270 nan 0.000 0.449 420 E N 0.618 120.812 120.200 -0.011 0.000 2.072 420 E HA -0.148 4.202 4.350 -0.000 0.000 0.190 420 E C 1.956 178.555 176.600 -0.002 0.000 0.982 420 E CA 0.761 57.157 56.400 -0.006 0.000 0.803 420 E CB 0.074 29.770 29.700 -0.007 0.000 0.755 420 E HN 0.286 nan 8.360 nan 0.000 0.453 421 L N 0.862 122.084 121.223 -0.002 0.000 2.017 421 L HA -0.219 4.121 4.340 -0.000 0.000 0.208 421 L C 2.550 179.425 176.870 0.008 0.000 1.073 421 L CA 1.371 56.214 54.840 0.004 0.000 0.745 421 L CB -0.316 41.746 42.059 0.006 0.000 0.894 421 L HN 0.033 nan 8.230 nan 0.000 0.432 422 K N -0.302 120.104 120.400 0.010 0.000 2.218 422 K HA -0.253 4.067 4.320 -0.000 0.000 0.205 422 K C 1.892 178.499 176.600 0.012 0.000 1.046 422 K CA 1.302 57.598 56.287 0.015 0.000 0.933 422 K CB -0.120 32.391 32.500 0.017 0.000 0.728 422 K HN 0.145 nan 8.250 nan 0.000 0.454 423 E N 0.374 120.579 120.200 0.007 0.000 2.418 423 E HA -0.026 4.324 4.350 -0.000 0.000 0.197 423 E C 0.709 177.313 176.600 0.006 0.000 1.026 423 E CA 0.414 56.818 56.400 0.006 0.000 0.862 423 E CB 0.120 29.822 29.700 0.004 0.000 0.799 423 E HN 0.357 nan 8.360 nan 0.000 0.518 424 G N -0.800 108.004 108.800 0.007 0.000 2.795 424 G HA2 0.223 4.182 3.960 -0.000 0.000 0.267 424 G HA3 0.223 4.182 3.960 -0.000 0.000 0.267 424 G C -0.583 174.321 174.900 0.007 0.000 1.362 424 G CA -0.751 44.353 45.100 0.006 0.000 1.048 424 G HN -0.002 nan 8.290 nan 0.000 0.547 425 N N 0.551 119.255 118.700 0.006 0.000 2.462 425 N HA 0.337 5.077 4.740 -0.000 0.000 0.242 425 N C -1.052 174.461 175.510 0.005 0.000 1.010 425 N CA -0.281 52.773 53.050 0.006 0.000 0.939 425 N CB 1.681 40.170 38.487 0.004 0.000 1.127 425 N HN 0.023 nan 8.380 nan 0.000 0.509 426 L N 2.367 123.595 121.223 0.009 0.000 2.309 426 L HA 0.251 4.591 4.340 -0.000 0.000 0.282 426 L C 0.974 177.845 176.870 0.001 0.000 1.036 426 L CA -0.763 54.081 54.840 0.006 0.000 0.806 426 L CB 0.902 42.970 42.059 0.015 0.000 1.220 426 L HN 0.495 nan 8.230 nan 0.000 0.429 427 D N 1.081 121.472 120.400 -0.015 0.000 2.361 427 D HA 0.030 4.670 4.640 -0.000 0.000 0.239 427 D C 0.645 176.932 176.300 -0.021 0.000 1.200 427 D CA -0.154 53.833 54.000 -0.023 0.000 0.915 427 D CB 0.862 41.635 40.800 -0.046 0.000 1.170 427 D HN 0.450 nan 8.370 nan 0.000 0.444 428 S N 1.281 116.976 115.700 -0.009 0.000 2.422 428 S HA -0.299 4.171 4.470 -0.000 0.000 0.248 428 S C 1.857 176.465 174.600 0.014 0.000 1.069 428 S CA 1.803 60.018 58.200 0.025 0.000 1.214 428 S CB -0.393 62.829 63.200 0.037 0.000 1.122 428 S HN 0.565 nan 8.310 nan 0.000 0.432 429 R N 0.329 120.752 120.500 -0.127 0.000 2.092 429 R HA 0.002 4.342 4.340 -0.000 0.000 0.231 429 R C 2.411 178.520 176.300 -0.318 0.000 1.119 429 R CA 1.113 56.990 56.100 -0.372 0.000 0.970 429 R CB -0.558 29.144 30.300 -0.997 0.000 0.864 429 R HN 0.300 nan 8.270 nan 0.000 0.440 430 L N 1.012 122.110 121.223 -0.208 0.000 2.046 430 L HA -0.053 4.287 4.340 -0.000 0.000 0.208 430 L C 2.231 179.116 176.870 0.024 0.000 1.077 430 L CA 1.860 56.646 54.840 -0.090 0.000 0.747 430 L CB -0.748 41.275 42.059 -0.061 0.000 0.896 430 L HN 0.119 nan 8.230 nan 0.000 0.432 431 A N -0.163 122.678 122.820 0.035 0.000 1.940 431 A HA -0.209 4.111 4.320 -0.000 0.000 0.219 431 A C 2.285 179.950 177.584 0.136 0.000 1.176 431 A CA 2.240 54.323 52.037 0.077 0.000 0.631 431 A CB -0.871 18.171 19.000 0.071 0.000 0.814 431 A HN 0.549 nan 8.150 nan 0.000 0.446 432 I N -0.569 120.123 120.570 0.203 0.000 2.202 432 I HA -0.237 3.933 4.170 -0.000 0.000 0.242 432 I C 3.009 179.308 176.117 0.303 0.000 1.091 432 I CA 0.970 62.445 61.300 0.291 0.000 1.368 432 I CB -0.443 37.844 38.000 0.479 0.000 1.058 432 I HN 0.359 nan 8.210 nan 0.000 0.410 433 A N 0.699 123.755 122.820 0.393 0.000 1.865 433 A HA -0.169 4.151 4.320 -0.000 0.000 0.217 433 A C 2.430 180.132 177.584 0.197 0.000 1.191 433 A CA 1.955 54.200 52.037 0.347 0.000 0.623 433 A CB -1.072 18.147 19.000 0.365 0.000 0.826 433 A HN 0.233 nan 8.150 nan 0.000 0.444 434 V N -0.026 119.974 119.914 0.144 0.000 2.287 434 V HA -0.217 3.903 4.120 -0.000 0.000 0.248 434 V C 2.798 178.933 176.094 0.068 0.000 1.053 434 V CA 2.108 64.459 62.300 0.084 0.000 1.027 434 V CB -1.540 30.319 31.823 0.059 0.000 0.646 434 V HN 0.629 nan 8.190 nan 0.000 0.447 435 G N -0.231 108.630 108.800 0.102 0.000 2.402 435 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.216 435 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.216 435 G C 1.494 176.466 174.900 0.120 0.000 1.162 435 G CA 0.712 45.884 45.100 0.121 0.000 0.777 435 G HN 0.354 nan 8.290 nan 0.000 0.539 436 I N 1.995 122.634 120.570 0.116 0.000 2.113 436 I HA -0.149 4.021 4.170 -0.000 0.000 0.238 436 I C 3.017 179.137 176.117 0.005 0.000 1.070 436 I CA 1.658 63.007 61.300 0.082 0.000 1.332 436 I CB -0.991 37.058 38.000 0.082 0.000 1.044 436 I HN 0.363 nan 8.210 nan 0.000 0.402 437 R N 1.187 121.715 120.500 0.047 0.000 2.096 437 R HA -0.190 4.150 4.340 -0.000 0.000 0.235 437 R C 1.976 178.165 176.300 -0.184 0.000 1.127 437 R CA 1.625 57.738 56.100 0.022 0.000 0.968 437 R CB -0.790 29.601 30.300 0.152 0.000 0.861 437 R HN 0.421 nan 8.270 nan 0.000 0.440 438 E N 0.858 120.959 120.200 -0.166 0.000 2.058 438 E HA -0.159 4.191 4.350 -0.000 0.000 0.194 438 E C 2.028 178.381 176.600 -0.411 0.000 0.997 438 E CA 1.675 57.930 56.400 -0.242 0.000 0.801 438 E CB -0.323 29.277 29.700 -0.166 0.000 0.746 438 E HN 0.565 nan 8.360 nan 0.000 0.450 439 G N 0.887 109.310 108.800 -0.628 0.000 2.421 439 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.216 439 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.216 439 G C 1.372 175.990 174.900 -0.470 0.000 1.171 439 G CA 0.850 45.273 45.100 -1.127 0.000 0.775 439 G HN 0.335 nan 8.290 nan 0.000 0.543 440 E N 0.508 120.562 120.200 -0.243 0.000 2.058 440 E HA -0.127 4.223 4.350 -0.000 0.000 0.194 440 E C 2.531 179.017 176.600 -0.189 0.000 0.997 440 E CA 0.969 57.356 56.400 -0.022 0.000 0.801 440 E CB -0.128 29.682 29.700 0.183 0.000 0.746 440 E HN 0.382 nan 8.360 nan 0.000 0.450 441 K N 0.330 120.473 120.400 -0.429 0.000 2.097 441 K HA -0.107 4.212 4.320 -0.000 0.000 0.206 441 K C 2.218 178.679 176.600 -0.232 0.000 1.049 441 K CA 1.196 57.219 56.287 -0.440 0.000 0.933 441 K CB -0.124 32.065 32.500 -0.519 0.000 0.717 441 K HN 0.144 nan 8.250 nan 0.000 0.442 442 M N 0.396 119.863 119.600 -0.221 0.000 2.086 442 M HA -0.184 4.296 4.480 -0.000 0.000 0.261 442 M C 2.258 178.603 176.300 0.076 0.000 1.067 442 M CA 1.469 56.705 55.300 -0.107 0.000 1.116 442 M CB -0.264 32.161 32.600 -0.292 0.000 1.348 442 M HN -0.039 nan 8.290 nan 0.000 0.407 443 V N 0.237 120.192 119.914 0.069 0.000 2.270 443 V HA -0.258 3.862 4.120 -0.000 0.000 0.245 443 V C 2.310 178.424 176.094 0.033 0.000 1.043 443 V CA 1.355 63.753 62.300 0.164 0.000 1.014 443 V CB -0.668 31.258 31.823 0.172 0.000 0.645 443 V HN 0.337 nan 8.190 nan 0.000 0.447 444 L N -0.201 120.958 121.223 -0.106 0.000 2.013 444 L HA -0.252 4.088 4.340 -0.000 0.000 0.212 444 L C 2.538 179.354 176.870 -0.089 0.000 1.073 444 L CA 1.954 56.669 54.840 -0.208 0.000 0.753 444 L CB -1.034 40.848 42.059 -0.295 0.000 0.890 444 L HN 0.397 nan 8.230 nan 0.000 0.432 445 Q N -1.594 118.175 119.800 -0.053 0.000 2.119 445 Q HA -0.251 4.089 4.340 -0.000 0.000 0.201 445 Q C 2.212 178.229 176.000 0.028 0.000 0.972 445 Q CA 1.477 57.273 55.803 -0.013 0.000 0.847 445 Q CB -0.070 28.662 28.738 -0.011 0.000 0.903 445 Q HN 0.586 nan 8.270 nan 0.000 0.433 446 Q N 0.607 120.444 119.800 0.061 0.000 2.079 446 Q HA -0.172 4.168 4.340 -0.000 0.000 0.200 446 Q C 1.971 178.006 176.000 0.060 0.000 0.974 446 Q CA 1.111 56.948 55.803 0.057 0.000 0.840 446 Q CB 0.003 28.777 28.738 0.061 0.000 0.898 446 Q HN 0.406 nan 8.270 nan 0.000 0.430 447 I N 1.133 121.750 120.570 0.080 0.000 2.179 447 I HA -0.287 3.883 4.170 -0.000 0.000 0.242 447 I C 2.393 178.635 176.117 0.208 0.000 1.088 447 I CA 1.534 62.930 61.300 0.159 0.000 1.357 447 I CB -0.633 37.429 38.000 0.103 0.000 1.051 447 I HN 0.398 nan 8.210 nan 0.000 0.409 448 D N 1.229 121.685 120.400 0.094 0.000 2.149 448 D HA -0.171 4.469 4.640 -0.000 0.000 0.198 448 D C 2.100 178.464 176.300 0.106 0.000 0.990 448 D CA 1.744 55.796 54.000 0.087 0.000 0.839 448 D CB 0.009 40.822 40.800 0.023 0.000 0.948 448 D HN 0.388 nan 8.370 nan 0.000 0.460 449 G N 0.919 109.762 108.800 0.071 0.000 2.402 449 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.216 449 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.216 449 G C 1.987 176.903 174.900 0.026 0.000 1.162 449 G CA 0.372 45.497 45.100 0.041 0.000 0.777 449 G HN 0.325 nan 8.290 nan 0.000 0.539 450 I N -0.318 120.265 120.570 0.022 0.000 2.163 450 I HA -0.145 4.025 4.170 -0.000 0.000 0.243 450 I C 2.336 178.351 176.117 -0.171 0.000 1.085 450 I CA 1.110 62.353 61.300 -0.095 0.000 1.347 450 I CB -0.241 37.673 38.000 -0.142 0.000 1.044 450 I HN 0.084 nan 8.210 nan 0.000 0.408 451 F N 0.538 120.475 119.950 -0.021 0.000 2.456 451 F HA -0.087 4.439 4.527 -0.000 0.000 0.298 451 F C 2.504 178.295 175.800 -0.015 0.000 1.104 451 F CA 0.897 58.885 58.000 -0.020 0.000 1.435 451 F CB -0.269 38.717 39.000 -0.024 0.000 1.078 451 F HN 0.104 nan 8.300 nan 0.000 0.546 452 E N -0.078 120.201 120.200 0.131 0.000 2.152 452 E HA -0.197 4.153 4.350 -0.000 0.000 0.192 452 E C 2.168 178.789 176.600 0.034 0.000 0.983 452 E CA 0.677 57.121 56.400 0.074 0.000 0.818 452 E CB 0.024 29.754 29.700 0.051 0.000 0.758 452 E HN 0.257 nan 8.360 nan 0.000 0.467 453 Q N 1.044 120.846 119.800 0.004 0.000 2.046 453 Q HA -0.139 4.201 4.340 -0.000 0.000 0.200 453 Q C 1.984 177.967 176.000 -0.029 0.000 0.975 453 Q CA 1.368 57.157 55.803 -0.023 0.000 0.836 453 Q CB -0.021 28.686 28.738 -0.052 0.000 0.896 453 Q HN 0.255 nan 8.270 nan 0.000 0.428 454 K N 0.406 120.775 120.400 -0.053 0.000 2.103 454 K HA -0.181 4.139 4.320 -0.000 0.000 0.207 454 K C 1.977 178.587 176.600 0.017 0.000 1.048 454 K CA 1.414 57.673 56.287 -0.047 0.000 0.930 454 K CB -0.026 32.416 32.500 -0.096 0.000 0.716 454 K HN 0.307 nan 8.250 nan 0.000 0.444 455 E N 0.660 120.885 120.200 0.042 0.000 2.110 455 E HA -0.152 4.198 4.350 -0.000 0.000 0.193 455 E C 1.986 178.605 176.600 0.031 0.000 0.988 455 E CA 0.868 57.296 56.400 0.047 0.000 0.804 455 E CB -0.036 29.694 29.700 0.051 0.000 0.745 455 E HN 0.267 nan 8.360 nan 0.000 0.458 456 L N 0.659 121.894 121.223 0.019 0.000 2.156 456 L HA -0.114 4.226 4.340 -0.000 0.000 0.208 456 L C 1.608 178.485 176.870 0.011 0.000 1.095 456 L CA 0.998 55.846 54.840 0.012 0.000 0.770 456 L CB -0.196 41.866 42.059 0.005 0.000 0.914 456 L HN 0.088 nan 8.230 nan 0.000 0.439 457 E N -0.185 120.019 120.200 0.005 0.000 2.463 457 E HA -0.033 4.317 4.350 -0.000 0.000 0.193 457 E C 1.643 178.256 176.600 0.022 0.000 1.041 457 E CA -0.256 56.144 56.400 -0.000 0.000 0.879 457 E CB 0.289 29.974 29.700 -0.024 0.000 0.997 457 E HN 0.177 nan 8.360 nan 0.000 0.478 458 L N 1.522 122.775 121.223 0.051 0.000 2.270 458 L HA -0.230 4.110 4.340 -0.000 0.000 0.217 458 L C 1.311 178.283 176.870 0.169 0.000 1.107 458 L CA 1.745 56.651 54.840 0.111 0.000 0.772 458 L CB -0.087 42.024 42.059 0.087 0.000 0.902 458 L HN 0.128 nan 8.230 nan 0.000 0.439 459 D N -2.206 118.254 120.400 0.100 0.000 2.379 459 D HA -0.015 4.624 4.640 -0.000 0.000 0.208 459 D C 1.666 177.989 176.300 0.038 0.000 1.065 459 D CA 0.153 54.219 54.000 0.109 0.000 0.848 459 D CB 0.386 41.227 40.800 0.070 0.000 0.949 459 D HN 0.518 nan 8.370 nan 0.000 0.509 460 Q N 0.166 119.960 119.800 -0.010 0.000 2.331 460 Q HA 0.113 4.453 4.340 -0.000 0.000 0.203 460 Q C 0.792 176.710 176.000 -0.137 0.000 0.944 460 Q CA 0.301 56.070 55.803 -0.057 0.000 0.892 460 Q CB 0.739 29.447 28.738 -0.050 0.000 0.983 460 Q HN 0.219 nan 8.270 nan 0.000 0.482 461 L N 2.103 123.186 121.223 -0.232 0.000 2.426 461 L HA 0.056 4.396 4.340 -0.000 0.000 0.271 461 L C 0.039 176.522 176.870 -0.646 0.000 1.169 461 L CA 0.097 54.655 54.840 -0.470 0.000 0.836 461 L CB 0.620 42.275 42.059 -0.674 0.000 1.112 461 L HN 0.120 nan 8.230 nan 0.000 0.465 462 E N 3.589 123.508 120.200 -0.470 0.000 2.046 462 E HA 0.226 4.576 4.350 -0.000 0.000 0.279 462 E C -1.087 175.310 176.600 -0.339 0.000 0.989 462 E CA -0.331 55.881 56.400 -0.313 0.000 0.798 462 E CB 0.566 30.176 29.700 -0.149 0.000 1.086 462 E HN 0.331 nan 8.360 nan 0.000 0.399 463 Y N 0.476 120.780 120.300 0.007 0.000 2.230 463 Y HA -0.103 4.447 4.550 -0.000 0.000 0.354 463 Y C 1.676 177.607 175.900 0.052 0.000 1.343 463 Y CA -0.388 57.732 58.100 0.034 0.000 1.693 463 Y CB 0.037 38.518 38.460 0.035 0.000 1.553 463 Y HN 0.533 nan 8.280 nan 0.000 0.599 464 Y N 0.704 121.102 120.300 0.163 0.000 2.069 464 Y HA -0.369 4.181 4.550 -0.000 0.000 0.278 464 Y C 2.300 178.227 175.900 0.044 0.000 1.175 464 Y CA 2.182 60.312 58.100 0.050 0.000 1.134 464 Y CB -0.262 38.192 38.460 -0.010 0.000 0.965 464 Y HN 0.527 nan 8.280 nan 0.000 0.498 465 Q N 0.378 120.167 119.800 -0.017 0.000 2.030 465 Q HA -0.260 4.080 4.340 -0.000 0.000 0.204 465 Q C 2.344 178.265 176.000 -0.132 0.000 0.986 465 Q CA 2.049 57.775 55.803 -0.129 0.000 0.843 465 Q CB -0.815 27.926 28.738 0.005 0.000 0.904 465 Q HN 0.745 nan 8.270 nan 0.000 0.420 466 E N 0.565 120.745 120.200 -0.034 0.000 2.130 466 E HA -0.209 4.141 4.350 -0.000 0.000 0.196 466 E C 1.873 178.429 176.600 -0.074 0.000 0.998 466 E CA 1.036 57.415 56.400 -0.036 0.000 0.806 466 E CB 0.089 29.787 29.700 -0.003 0.000 0.738 466 E HN 0.237 nan 8.360 nan 0.000 0.459 467 R N -0.150 120.291 120.500 -0.098 0.000 2.189 467 R HA -0.055 4.285 4.340 -0.000 0.000 0.218 467 R C 2.525 178.744 176.300 -0.136 0.000 1.074 467 R CA 0.913 56.959 56.100 -0.091 0.000 0.991 467 R CB -0.236 30.038 30.300 -0.044 0.000 0.883 467 R HN 0.144 nan 8.270 nan 0.000 0.457 468 R N 1.157 121.503 120.500 -0.256 0.000 2.090 468 R HA -0.021 4.319 4.340 -0.000 0.000 0.228 468 R C 1.595 177.826 176.300 -0.116 0.000 1.110 468 R CA 1.012 56.965 56.100 -0.245 0.000 0.973 468 R CB 0.022 30.093 30.300 -0.380 0.000 0.869 468 R HN 0.164 nan 8.270 nan 0.000 0.440 469 L N 0.790 121.955 121.223 -0.097 0.000 2.612 469 L HA 0.082 4.422 4.340 -0.000 0.000 0.230 469 L C 1.756 178.603 176.870 -0.038 0.000 1.140 469 L CA -0.035 54.772 54.840 -0.055 0.000 0.896 469 L CB 0.010 42.041 42.059 -0.047 0.000 1.065 469 L HN 0.013 nan 8.230 nan 0.000 0.447 470 K N 0.927 121.303 120.400 -0.040 0.000 2.211 470 K HA -0.111 4.209 4.320 -0.000 0.000 0.203 470 K C 0.962 177.554 176.600 -0.014 0.000 1.050 470 K CA 1.051 57.323 56.287 -0.025 0.000 0.945 470 K CB -0.056 32.430 32.500 -0.023 0.000 0.732 470 K HN 0.517 nan 8.250 nan 0.000 0.451 471 D N 0.360 120.752 120.400 -0.012 0.000 2.460 471 D HA -0.018 4.622 4.640 -0.000 0.000 0.229 471 D C 1.540 177.838 176.300 -0.003 0.000 1.170 471 D CA -0.099 53.899 54.000 -0.003 0.000 0.827 471 D CB -0.057 40.746 40.800 0.004 0.000 0.973 471 D HN 0.074 nan 8.370 nan 0.000 0.496 472 L N 0.838 122.057 121.223 -0.007 0.000 1.961 472 L HA -0.029 4.311 4.340 -0.000 0.000 0.210 472 L C 1.637 178.507 176.870 0.001 0.000 1.072 472 L CA 1.882 56.719 54.840 -0.005 0.000 0.749 472 L CB -0.613 41.441 42.059 -0.008 0.000 0.889 472 L HN 0.438 nan 8.230 nan 0.000 0.432 473 G N -1.192 107.608 108.800 0.001 0.000 2.203 473 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.231 473 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.231 473 G C 0.620 175.523 174.900 0.006 0.000 1.058 473 G CA 0.284 45.387 45.100 0.004 0.000 0.781 473 G HN 0.259 nan 8.290 nan 0.000 0.496 474 L N -1.023 120.201 121.223 0.003 0.000 2.012 474 L HA -0.109 4.231 4.340 -0.000 0.000 0.210 474 L C 2.080 178.953 176.870 0.005 0.000 1.073 474 L CA 1.663 56.506 54.840 0.004 0.000 0.748 474 L CB -0.572 41.487 42.059 0.001 0.000 0.891 474 L HN 0.482 nan 8.230 nan 0.000 0.431 475 C N 1.374 120.676 119.300 0.004 0.000 2.861 475 C HA 0.410 4.870 4.460 -0.000 0.000 0.542 475 C C 1.429 176.423 174.990 0.006 0.000 1.074 475 C CA -0.702 58.319 59.018 0.004 0.000 1.232 475 C CB -1.766 25.975 27.740 0.002 0.000 1.433 475 C HN 0.491 nan 8.230 nan 0.000 0.606 476 G N 1.468 110.273 108.800 0.009 0.000 3.434 476 G HA2 0.452 4.412 3.960 -0.000 0.000 0.192 476 G HA3 0.452 4.412 3.960 -0.000 0.000 0.192 476 G C -0.107 174.799 174.900 0.010 0.000 1.704 476 G CA -0.141 44.966 45.100 0.011 0.000 0.936 476 G HN 0.633 nan 8.290 nan 0.000 0.623 477 E N -0.352 119.857 120.200 0.014 0.000 2.281 477 E HA 0.323 4.673 4.350 -0.000 0.000 0.257 477 E C -0.911 175.697 176.600 0.013 0.000 0.971 477 E CA -0.921 55.486 56.400 0.010 0.000 0.839 477 E CB 1.362 31.067 29.700 0.009 0.000 1.238 477 E HN 0.186 nan 8.360 nan 0.000 0.412 478 N N 0.504 119.208 118.700 0.006 0.000 3.178 478 N HA 0.075 4.814 4.740 -0.000 0.000 0.300 478 N C 0.927 176.443 175.510 0.011 0.000 1.242 478 N CA 0.379 53.434 53.050 0.008 0.000 1.192 478 N CB -0.282 38.206 38.487 0.000 0.000 1.463 478 N HN 0.710 nan 8.380 nan 0.000 0.539 479 G N 0.619 109.436 108.800 0.028 0.000 2.631 479 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.221 479 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.221 479 G C 1.114 176.047 174.900 0.055 0.000 1.095 479 G CA 0.571 45.702 45.100 0.051 0.000 0.727 479 G HN 0.556 nan 8.290 nan 0.000 0.587 480 D N 0.700 121.124 120.400 0.039 0.000 2.097 480 D HA -0.085 4.555 4.640 -0.000 0.000 0.197 480 D C 2.564 178.872 176.300 0.014 0.000 0.984 480 D CA 0.589 54.614 54.000 0.042 0.000 0.826 480 D CB -0.096 40.722 40.800 0.030 0.000 0.973 480 D HN 0.391 nan 8.370 nan 0.000 0.460 481 I N 0.831 121.393 120.570 -0.014 0.000 2.423 481 I HA -0.249 3.921 4.170 -0.000 0.000 0.254 481 I C 2.584 178.644 176.117 -0.095 0.000 1.151 481 I CA 0.497 61.773 61.300 -0.040 0.000 1.421 481 I CB -0.089 37.887 38.000 -0.040 0.000 1.079 481 I HN 0.120 nan 8.210 nan 0.000 0.431 482 L N 0.106 121.240 121.223 -0.148 0.000 2.162 482 L HA -0.114 4.226 4.340 -0.000 0.000 0.205 482 L C 2.381 178.960 176.870 -0.486 0.000 1.086 482 L CA 1.058 55.672 54.840 -0.378 0.000 0.778 482 L CB -0.182 41.602 42.059 -0.458 0.000 0.928 482 L HN 0.182 nan 8.230 nan 0.000 0.446 483 E N 0.141 120.284 120.200 -0.095 0.000 2.267 483 E HA -0.214 4.136 4.350 -0.000 0.000 0.197 483 E C 0.831 177.559 176.600 0.214 0.000 0.998 483 E CA 0.950 57.519 56.400 0.282 0.000 0.830 483 E CB -0.073 29.820 29.700 0.322 0.000 0.751 483 E HN 0.612 nan 8.360 nan 0.000 0.491 484 N N -0.190 118.545 118.700 0.058 0.000 2.322 484 N HA 0.098 4.838 4.740 -0.000 0.000 0.216 484 N C 0.679 176.197 175.510 0.013 0.000 1.144 484 N CA -0.093 52.993 53.050 0.060 0.000 0.830 484 N CB 0.551 39.054 38.487 0.028 0.000 1.034 484 N HN 0.087 nan 8.380 nan 0.000 0.484 485 L N -1.576 119.620 121.223 -0.044 0.000 3.406 485 L HA 0.167 4.507 4.340 -0.000 0.000 0.309 485 L C 0.880 177.709 176.870 -0.067 0.000 1.159 485 L CA -0.040 54.750 54.840 -0.084 0.000 1.122 485 L CB 0.097 42.055 42.059 -0.168 0.000 1.633 485 L HN 0.055 nan 8.230 nan 0.000 0.607 486 Y N 0.966 121.220 120.300 -0.076 0.000 2.090 486 Y HA -0.046 4.504 4.550 -0.000 0.000 0.274 486 Y C 1.255 176.947 175.900 -0.346 0.000 1.110 486 Y CA 0.913 58.836 58.100 -0.295 0.000 1.092 486 Y CB -0.637 37.499 38.460 -0.540 0.000 0.992 486 Y HN -0.155 nan 8.280 nan 0.000 0.479 487 F N 0.299 120.367 119.950 0.196 0.000 2.368 487 F HA 0.183 4.710 4.527 -0.000 0.000 0.308 487 F C 0.988 176.826 175.800 0.063 0.000 1.198 487 F CA -1.208 56.851 58.000 0.098 0.000 1.130 487 F CB -0.077 38.967 39.000 0.073 0.000 1.300 487 F HN -0.022 nan 8.300 nan 0.000 0.537 488 Q N 0.000 119.950 119.800 0.249 0.000 2.315 488 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 488 Q CA 0.000 55.886 55.803 0.138 0.000 1.022 488 Q CB 0.000 28.803 28.738 0.109 0.000 1.108 488 Q HN 0.000 nan 8.270 nan 0.000 0.481