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 3e7t_1_B DATA FIRST_RESID 77 DATA SEQUENCE QYVRIKNWGS GEILHDTLHH KATSXXXXXX XSCLGSIMNP KSLTRGPRDK DATA SEQUENCE PTPLEELLPH AIEFINQYYG SFKEAKIEEH LARLEAVTKE IETTGTYQLT DATA SEQUENCE LDELIFATKM AWRNAPRCIG RIQWSNLQVF DARNCSTAQE MFQHICRHIL DATA SEQUENCE YATNNGNIRS AITVFPQRSD GKHDFRLWNS QLIRYAGYQM PDGTIRGDAA DATA SEQUENCE TLEFTQLCID LGWKPRYGRF DVLPLVLQAD GQDPEVFEIP PDLVLEVTME DATA SEQUENCE HPKYEWFQEL GLKWYALPAV ANMLLEVGGL EFPACPFNGW YMGTEIGVRD DATA SEQUENCE FCDTQRYNIL EEVGRRMGLE THTLASLWKD RAVTEINVAV LHSFQKQNVT DATA SEQUENCE IMDHHTASES FMKHMQNEYR ARGGCPADWI WLVPPVSGSI TPVFHQEMLN DATA SEQUENCE YVLSPFYYYQ IEPWKTHIWQ 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 77 Q HA 0.000 nan 4.340 nan 0.000 0.214 77 Q C 0.000 176.124 176.000 0.207 0.000 1.003 77 Q CA 0.000 55.797 55.803 -0.010 0.000 1.022 77 Q CB 0.000 28.581 28.738 -0.263 0.000 1.108 78 Y N -1.503 118.944 120.300 0.246 0.000 2.641 78 Y HA 0.743 5.293 4.550 0.000 0.000 0.333 78 Y C -1.424 174.617 175.900 0.236 0.000 1.174 78 Y CA -1.544 56.744 58.100 0.314 0.000 1.057 78 Y CB 0.683 39.259 38.460 0.193 0.000 1.322 78 Y HN 0.104 nan 8.280 nan 0.000 0.457 79 V N 3.270 123.526 119.914 0.570 0.000 2.439 79 V HA 0.496 4.617 4.120 0.000 0.000 0.282 79 V C 0.150 176.482 176.094 0.397 0.000 1.039 79 V CA -0.806 61.688 62.300 0.324 0.000 0.913 79 V CB 1.301 33.148 31.823 0.040 0.000 0.983 79 V HN 0.800 nan 8.190 nan 0.000 0.460 80 R N 4.273 124.991 120.500 0.363 0.000 2.298 80 R HA 0.558 4.898 4.340 0.000 0.000 0.310 80 R C -1.024 175.366 176.300 0.149 0.000 1.068 80 R CA -0.224 56.068 56.100 0.319 0.000 0.957 80 R CB 0.488 30.984 30.300 0.327 0.000 1.003 80 R HN 0.671 nan 8.270 nan 0.000 0.454 81 I N 4.291 124.900 120.570 0.065 0.000 2.436 81 I HA 0.284 4.454 4.170 0.000 0.000 0.289 81 I C -0.299 175.786 176.117 -0.054 0.000 1.010 81 I CA -0.660 60.656 61.300 0.028 0.000 1.098 81 I CB 1.978 39.996 38.000 0.030 0.000 1.266 81 I HN 0.495 nan 8.210 nan 0.000 0.434 82 K N 5.433 125.785 120.400 -0.080 0.000 2.156 82 K HA 0.363 4.683 4.320 0.000 0.000 0.250 82 K C -0.688 175.768 176.600 -0.240 0.000 0.955 82 K CA -0.693 55.438 56.287 -0.260 0.000 0.855 82 K CB 1.469 33.644 32.500 -0.543 0.000 1.101 82 K HN 0.502 nan 8.250 nan 0.000 0.434 83 N N 3.582 122.120 118.700 -0.270 0.000 2.564 83 N HA 0.095 4.835 4.740 0.000 0.000 0.248 83 N C -0.362 175.057 175.510 -0.153 0.000 0.986 83 N CA -0.370 52.612 53.050 -0.114 0.000 0.921 83 N CB 0.393 38.848 38.487 -0.054 0.000 1.136 83 N HN 0.628 nan 8.380 nan 0.000 0.509 84 W N 2.287 123.600 121.300 0.021 0.000 2.747 84 W HA 0.108 4.768 4.660 0.000 0.000 0.244 84 W C 1.897 178.428 176.519 0.020 0.000 1.270 84 W CA 0.225 57.584 57.345 0.023 0.000 1.333 84 W CB 0.201 29.674 29.460 0.021 0.000 1.139 84 W HN 0.621 nan 8.180 nan 0.000 0.662 85 G N -1.865 107.028 108.800 0.155 0.000 2.709 85 G HA2 -0.031 3.929 3.960 0.000 0.000 0.208 85 G HA3 -0.031 3.929 3.960 0.000 0.000 0.208 85 G C 1.414 176.348 174.900 0.058 0.000 1.129 85 G CA 0.591 45.756 45.100 0.108 0.000 0.793 85 G HN 0.168 nan 8.290 nan 0.000 0.524 86 S N -0.713 114.998 115.700 0.019 0.000 2.514 86 S HA 0.355 4.825 4.470 0.000 0.000 0.223 86 S C 1.862 176.441 174.600 -0.036 0.000 1.046 86 S CA 0.829 59.025 58.200 -0.006 0.000 0.914 86 S CB 0.742 63.932 63.200 -0.017 0.000 0.807 86 S HN 1.122 nan 8.310 nan 0.000 0.497 87 G N 2.067 110.817 108.800 -0.085 0.000 2.199 87 G HA2 -0.301 3.659 3.960 0.000 0.000 0.254 87 G HA3 -0.301 3.659 3.960 0.000 0.000 0.254 87 G C -0.033 174.776 174.900 -0.151 0.000 0.982 87 G CA 0.369 45.388 45.100 -0.136 0.000 0.632 87 G HN 0.536 nan 8.290 nan 0.000 0.529 88 E N 0.327 120.455 120.200 -0.121 0.000 2.415 88 E HA 0.450 4.800 4.350 0.000 0.000 0.262 88 E C 0.250 176.754 176.600 -0.161 0.000 1.038 88 E CA -0.101 56.229 56.400 -0.117 0.000 0.921 88 E CB 0.210 29.859 29.700 -0.086 0.000 0.950 88 E HN 0.424 nan 8.360 nan 0.000 0.438 89 I N 4.510 124.976 120.570 -0.173 0.000 2.646 89 I HA 0.365 4.535 4.170 0.000 0.000 0.299 89 I C -0.549 175.370 176.117 -0.330 0.000 1.036 89 I CA -0.837 60.329 61.300 -0.223 0.000 1.074 89 I CB 1.452 39.337 38.000 -0.191 0.000 1.258 89 I HN 0.407 nan 8.210 nan 0.000 0.430 90 L N 4.432 125.448 121.223 -0.345 0.000 2.371 90 L HA 0.497 4.838 4.340 0.000 0.000 0.262 90 L C -1.208 175.402 176.870 -0.434 0.000 1.006 90 L CA -0.760 53.845 54.840 -0.391 0.000 0.818 90 L CB 2.289 44.244 42.059 -0.172 0.000 1.354 90 L HN 0.570 nan 8.230 nan 0.000 0.415 91 H N 0.409 119.362 119.070 -0.195 0.000 2.685 91 H HA 0.178 4.734 4.556 0.000 0.000 0.307 91 H C -1.004 174.266 175.328 -0.098 0.000 1.017 91 H CA -0.698 55.156 56.048 -0.323 0.000 1.237 91 H CB 1.511 30.673 29.762 -1.000 0.000 1.409 91 H HN 0.386 nan 8.280 nan 0.000 0.488 92 D N 2.763 123.273 120.400 0.183 0.000 2.336 92 D HA -0.024 4.617 4.640 0.000 0.000 0.249 92 D C 0.970 177.492 176.300 0.370 0.000 1.213 92 D CA 0.156 54.299 54.000 0.238 0.000 0.870 92 D CB 1.142 42.089 40.800 0.245 0.000 1.076 92 D HN 0.738 nan 8.370 nan 0.000 0.483 93 T N 1.199 115.891 114.554 0.230 0.000 3.023 93 T HA -0.061 4.289 4.350 0.000 0.000 0.249 93 T C 1.954 176.708 174.700 0.090 0.000 1.050 93 T CA -0.199 62.024 62.100 0.205 0.000 1.088 93 T CB 0.002 68.955 68.868 0.141 0.000 0.946 93 T HN 0.256 nan 8.240 nan 0.000 0.480 94 L N 2.925 124.194 121.223 0.076 0.000 2.079 94 L HA -0.073 4.267 4.340 0.000 0.000 0.210 94 L C 2.412 179.288 176.870 0.011 0.000 1.081 94 L CA 2.354 57.222 54.840 0.047 0.000 0.752 94 L CB -0.954 41.144 42.059 0.065 0.000 0.896 94 L HN 0.681 nan 8.230 nan 0.000 0.433 95 H N -3.201 115.909 119.070 0.066 0.000 2.520 95 H HA -0.209 4.347 4.556 0.000 0.000 0.295 95 H C 1.812 177.111 175.328 -0.048 0.000 1.096 95 H CA 2.052 58.094 56.048 -0.011 0.000 1.249 95 H CB -0.924 28.801 29.762 -0.060 0.000 1.365 95 H HN 0.546 nan 8.280 nan 0.000 0.556 96 H N 0.855 119.677 119.070 -0.413 0.000 2.357 96 H HA 0.061 4.617 4.556 0.000 0.000 0.301 96 H C 1.347 176.643 175.328 -0.054 0.000 1.082 96 H CA 1.413 57.336 56.048 -0.208 0.000 1.342 96 H CB 0.151 29.770 29.762 -0.238 0.000 1.389 96 H HN 0.377 nan 8.280 nan 0.000 0.511 97 K N 1.085 121.528 120.400 0.072 0.000 2.632 97 K HA 0.169 4.489 4.320 0.000 0.000 0.196 97 K C 0.512 177.141 176.600 0.048 0.000 1.023 97 K CA -0.037 56.282 56.287 0.053 0.000 1.098 97 K CB 0.244 32.767 32.500 0.038 0.000 0.862 97 K HN 0.218 nan 8.250 nan 0.000 0.504 98 A N 1.065 123.918 122.820 0.056 0.000 2.475 98 A HA 0.065 4.385 4.320 0.000 0.000 0.239 98 A C 0.633 178.242 177.584 0.042 0.000 1.087 98 A CA 0.040 52.109 52.037 0.053 0.000 0.779 98 A CB 0.208 19.248 19.000 0.067 0.000 1.036 98 A HN 0.202 nan 8.150 nan 0.000 0.506 99 T N 0.731 115.305 114.554 0.034 0.000 2.729 99 T HA 0.400 4.750 4.350 0.000 0.000 0.298 99 T C 1.004 175.719 174.700 0.025 0.000 1.013 99 T CA -0.001 62.114 62.100 0.026 0.000 0.957 99 T CB 0.368 69.249 68.868 0.021 0.000 1.130 99 T HN 0.714 nan 8.240 nan 0.000 0.526 109 C N 6.674 125.972 119.300 -0.003 0.000 2.452 109 C HA 0.632 5.092 4.460 0.000 0.000 0.379 109 C C 1.664 176.659 174.990 0.009 0.000 1.275 109 C CA -0.544 58.476 59.018 0.004 0.000 2.056 109 C CB -1.027 26.718 27.740 0.008 0.000 2.506 109 C HN 0.866 nan 8.230 nan 0.000 0.560 110 L N 4.435 125.668 121.223 0.017 0.000 2.667 110 L HA 0.436 4.776 4.340 0.000 0.000 0.232 110 L C 1.664 178.572 176.870 0.062 0.000 1.138 110 L CA 0.671 55.530 54.840 0.032 0.000 0.921 110 L CB -0.606 41.468 42.059 0.025 0.000 1.180 110 L HN 0.762 nan 8.230 nan 0.000 0.487 111 G N 0.339 109.176 108.800 0.061 0.000 2.442 111 G HA2 -0.290 3.670 3.960 0.000 0.000 0.219 111 G HA3 -0.290 3.670 3.960 0.000 0.000 0.219 111 G C 1.492 176.468 174.900 0.128 0.000 1.141 111 G CA 0.977 46.128 45.100 0.085 0.000 0.763 111 G HN 0.432 nan 8.290 nan 0.000 0.554 112 S N -0.100 115.672 115.700 0.120 0.000 2.660 112 S HA 0.211 4.681 4.470 0.000 0.000 0.223 112 S C 0.710 175.421 174.600 0.184 0.000 0.963 112 S CA -0.464 57.827 58.200 0.152 0.000 0.932 112 S CB -0.394 62.879 63.200 0.121 0.000 0.775 112 S HN 0.059 nan 8.310 nan 0.000 0.531 113 I N 2.272 122.949 120.570 0.178 0.000 2.440 113 I HA 0.244 4.414 4.170 0.000 0.000 0.294 113 I C 1.161 177.423 176.117 0.241 0.000 0.995 113 I CA -0.226 61.199 61.300 0.208 0.000 1.306 113 I CB 1.366 39.463 38.000 0.161 0.000 1.407 113 I HN 0.238 nan 8.210 nan 0.000 0.501 114 M N 3.719 123.487 119.600 0.279 0.000 2.299 114 M HA 0.056 4.536 4.480 0.000 0.000 0.264 114 M C 0.490 176.905 176.300 0.192 0.000 1.095 114 M CA 1.243 56.690 55.300 0.245 0.000 1.165 114 M CB -0.508 32.122 32.600 0.050 0.000 1.349 114 M HN 0.433 nan 8.290 nan 0.000 0.446 115 N N 1.482 120.288 118.700 0.177 0.000 2.806 115 N HA 0.270 5.010 4.740 0.000 0.000 0.315 115 N C -2.433 173.190 175.510 0.188 0.000 1.738 115 N CA -0.771 52.353 53.050 0.123 0.000 0.993 115 N CB 0.492 38.986 38.487 0.012 0.000 1.324 115 N HN 0.244 nan 8.380 nan 0.000 0.493 116 P HA 0.103 nan 4.420 nan 0.000 0.269 116 P C 0.550 177.944 177.300 0.158 0.000 1.209 116 P CA -0.153 63.039 63.100 0.153 0.000 0.776 116 P CB 1.776 33.550 31.700 0.123 0.000 0.876 117 K N 0.786 121.255 120.400 0.115 0.000 2.283 117 K HA -0.079 4.241 4.320 0.000 0.000 0.202 117 K C 2.008 178.670 176.600 0.102 0.000 1.048 117 K CA 1.584 57.932 56.287 0.102 0.000 0.948 117 K CB -0.240 32.298 32.500 0.064 0.000 0.742 117 K HN 0.549 nan 8.250 nan 0.000 0.458 118 S N 0.384 116.139 115.700 0.091 0.000 2.474 118 S HA -0.062 4.408 4.470 0.000 0.000 0.235 118 S C 1.373 176.047 174.600 0.122 0.000 0.997 118 S CA 0.685 58.929 58.200 0.074 0.000 0.949 118 S CB 0.030 63.252 63.200 0.038 0.000 0.766 118 S HN 0.077 nan 8.310 nan 0.000 0.517 119 L N 1.714 123.040 121.223 0.171 0.000 2.818 119 L HA 0.459 4.799 4.340 0.000 0.000 0.243 119 L C -0.110 176.999 176.870 0.399 0.000 1.185 119 L CA 0.404 55.370 54.840 0.210 0.000 0.988 119 L CB -0.054 42.069 42.059 0.106 0.000 1.292 119 L HN 0.219 nan 8.230 nan 0.000 0.519 120 T N -0.605 114.166 114.554 0.363 0.000 2.861 120 T HA 0.507 4.857 4.350 0.000 0.000 0.287 120 T C -0.441 174.315 174.700 0.092 0.000 1.003 120 T CA -0.544 61.735 62.100 0.299 0.000 0.977 120 T CB 2.448 71.444 68.868 0.212 0.000 0.996 120 T HN -0.168 nan 8.240 nan 0.000 0.448 121 R N 1.813 122.326 120.500 0.022 0.000 2.352 121 R HA 0.603 4.943 4.340 0.000 0.000 0.304 121 R C 0.448 176.716 176.300 -0.054 0.000 1.104 121 R CA -0.446 55.550 56.100 -0.174 0.000 0.991 121 R CB 0.151 30.221 30.300 -0.384 0.000 1.140 121 R HN 0.847 nan 8.270 nan 0.000 0.540 122 G N 3.098 111.869 108.800 -0.049 0.000 2.508 122 G HA2 0.346 4.306 3.960 0.000 0.000 0.278 122 G HA3 0.346 4.306 3.960 0.000 0.000 0.278 122 G C -1.952 172.925 174.900 -0.039 0.000 1.389 122 G CA -1.035 44.044 45.100 -0.034 0.000 1.050 122 G HN 0.458 nan 8.290 nan 0.000 0.522 123 P HA 0.284 nan 4.420 nan 0.000 0.273 123 P C -0.133 177.150 177.300 -0.028 0.000 1.258 123 P CA 0.025 63.108 63.100 -0.029 0.000 0.802 123 P CB 0.450 32.133 31.700 -0.027 0.000 1.040 124 R N -0.408 120.078 120.500 -0.024 0.000 2.752 124 R HA 0.279 4.619 4.340 0.000 0.000 0.271 124 R C -0.169 176.114 176.300 -0.028 0.000 1.026 124 R CA -0.589 55.495 56.100 -0.026 0.000 0.901 124 R CB 1.566 31.851 30.300 -0.026 0.000 1.243 124 R HN 0.363 nan 8.270 nan 0.000 0.463 125 D N 0.238 120.621 120.400 -0.029 0.000 2.626 125 D HA 0.125 4.765 4.640 0.000 0.000 0.274 125 D C -0.561 175.718 176.300 -0.036 0.000 1.045 125 D CA 0.972 54.952 54.000 -0.034 0.000 0.925 125 D CB 0.900 41.685 40.800 -0.026 0.000 1.260 125 D HN 0.294 nan 8.370 nan 0.000 0.490 126 K N 0.678 121.063 120.400 -0.026 0.000 2.395 126 K HA 0.587 4.907 4.320 0.000 0.000 0.247 126 K C -2.809 173.783 176.600 -0.013 0.000 0.973 126 K CA -1.828 54.447 56.287 -0.020 0.000 0.828 126 K CB 1.553 34.045 32.500 -0.014 0.000 1.272 126 K HN -0.283 nan 8.250 nan 0.000 0.439 127 P HA -0.092 nan 4.420 nan 0.000 0.267 127 P C -0.442 176.859 177.300 0.002 0.000 1.200 127 P CA -0.049 63.052 63.100 0.002 0.000 0.772 127 P CB 0.371 32.078 31.700 0.013 0.000 0.855 128 T N 3.958 118.514 114.554 0.005 0.000 2.792 128 T HA 0.111 4.461 4.350 0.000 0.000 0.286 128 T C -1.942 172.763 174.700 0.009 0.000 0.970 128 T CA -1.447 60.658 62.100 0.008 0.000 1.187 128 T CB -0.729 68.153 68.868 0.022 0.000 0.915 128 T HN 0.232 nan 8.240 nan 0.000 0.529 129 P HA -0.087 nan 4.420 nan 0.000 0.263 129 P C 1.314 178.603 177.300 -0.018 0.000 1.168 129 P CA -0.497 62.596 63.100 -0.010 0.000 0.759 129 P CB 0.501 32.191 31.700 -0.017 0.000 0.782 130 L N 3.955 125.167 121.223 -0.018 0.000 2.021 130 L HA -0.215 4.125 4.340 0.000 0.000 0.215 130 L C 2.469 179.308 176.870 -0.051 0.000 1.074 130 L CA 2.600 57.423 54.840 -0.027 0.000 0.760 130 L CB -1.301 40.744 42.059 -0.023 0.000 0.889 130 L HN 0.562 nan 8.230 nan 0.000 0.433 131 E N -0.052 120.117 120.200 -0.052 0.000 2.187 131 E HA -0.288 4.062 4.350 0.000 0.000 0.199 131 E C 1.560 178.092 176.600 -0.113 0.000 1.004 131 E CA 1.795 58.154 56.400 -0.069 0.000 0.813 131 E CB -0.345 29.323 29.700 -0.053 0.000 0.736 131 E HN 0.825 nan 8.360 nan 0.000 0.468 132 E N 0.508 120.630 120.200 -0.129 0.000 2.290 132 E HA -0.005 4.345 4.350 0.000 0.000 0.197 132 E C 2.321 178.719 176.600 -0.338 0.000 0.948 132 E CA -0.094 56.154 56.400 -0.254 0.000 0.895 132 E CB -0.232 29.372 29.700 -0.159 0.000 0.865 132 E HN 0.169 nan 8.360 nan 0.000 0.486 133 L N 1.378 122.534 121.223 -0.111 0.000 2.093 133 L HA -0.057 4.283 4.340 0.000 0.000 0.208 133 L C 2.139 178.994 176.870 -0.025 0.000 1.085 133 L CA 1.214 56.057 54.840 0.005 0.000 0.755 133 L CB -0.599 41.489 42.059 0.048 0.000 0.904 133 L HN 0.319 nan 8.230 nan 0.000 0.435 134 L N 0.908 122.082 121.223 -0.083 0.000 1.994 134 L HA -0.094 4.246 4.340 0.000 0.000 0.208 134 L C -0.168 176.659 176.870 -0.072 0.000 1.071 134 L CA 2.017 56.801 54.840 -0.092 0.000 0.745 134 L CB -2.368 39.641 42.059 -0.085 0.000 0.892 134 L HN 0.153 nan 8.230 nan 0.000 0.431 135 P HA -0.108 nan 4.420 nan 0.000 0.218 135 P C 1.287 178.622 177.300 0.059 0.000 1.149 135 P CA 1.177 64.244 63.100 -0.055 0.000 0.817 135 P CB -0.055 31.576 31.700 -0.116 0.000 0.785 136 H N -0.239 118.859 119.070 0.046 0.000 2.299 136 H HA 0.017 4.574 4.556 0.000 0.000 0.302 136 H C 2.032 177.448 175.328 0.146 0.000 1.078 136 H CA 1.480 57.582 56.048 0.090 0.000 1.323 136 H CB -1.177 28.635 29.762 0.085 0.000 1.381 136 H HN 0.017 nan 8.280 nan 0.000 0.498 137 A N 1.225 124.189 122.820 0.240 0.000 1.892 137 A HA -0.156 4.164 4.320 0.000 0.000 0.218 137 A C 2.683 180.372 177.584 0.175 0.000 1.188 137 A CA 1.712 53.861 52.037 0.187 0.000 0.631 137 A CB -0.949 17.893 19.000 -0.263 0.000 0.822 137 A HN 0.348 nan 8.150 nan 0.000 0.447 138 I N -0.515 120.109 120.570 0.091 0.000 2.286 138 I HA -0.268 3.902 4.170 0.000 0.000 0.248 138 I C 2.538 178.741 176.117 0.143 0.000 1.115 138 I CA 1.827 63.181 61.300 0.089 0.000 1.392 138 I CB -0.426 37.600 38.000 0.042 0.000 1.065 138 I HN 0.548 nan 8.210 nan 0.000 0.418 139 E N 1.767 122.074 120.200 0.178 0.000 2.038 139 E HA -0.300 4.050 4.350 0.000 0.000 0.195 139 E C 2.118 178.859 176.600 0.235 0.000 1.000 139 E CA 1.796 58.311 56.400 0.191 0.000 0.803 139 E CB -0.573 29.255 29.700 0.213 0.000 0.750 139 E HN 0.361 nan 8.360 nan 0.000 0.448 140 F N 1.101 121.140 119.950 0.149 0.000 2.046 140 F HA -0.138 4.389 4.527 0.000 0.000 0.297 140 F C 2.076 177.963 175.800 0.145 0.000 1.123 140 F CA 1.942 60.042 58.000 0.168 0.000 1.199 140 F CB -0.731 38.390 39.000 0.202 0.000 0.972 140 F HN 0.117 nan 8.300 nan 0.000 0.474 141 I N 0.652 121.159 120.570 -0.104 0.000 2.248 141 I HA -0.390 3.780 4.170 0.000 0.000 0.248 141 I C 2.097 178.177 176.117 -0.061 0.000 1.107 141 I CA 1.505 62.709 61.300 -0.160 0.000 1.373 141 I CB -0.687 37.373 38.000 0.101 0.000 1.055 141 I HN 0.266 nan 8.210 nan 0.000 0.418 142 N N 0.324 119.045 118.700 0.036 0.000 2.216 142 N HA -0.196 4.544 4.740 0.000 0.000 0.183 142 N C 1.847 177.289 175.510 -0.113 0.000 1.017 142 N CA 0.988 54.077 53.050 0.065 0.000 0.861 142 N CB -0.213 38.373 38.487 0.165 0.000 0.986 142 N HN 0.520 nan 8.380 nan 0.000 0.428 143 Q N -0.202 119.540 119.800 -0.096 0.000 2.119 143 Q HA -0.167 4.173 4.340 0.000 0.000 0.201 143 Q C 1.951 177.729 176.000 -0.370 0.000 0.972 143 Q CA 1.038 56.787 55.803 -0.090 0.000 0.847 143 Q CB -0.092 28.722 28.738 0.127 0.000 0.903 143 Q HN 0.416 nan 8.270 nan 0.000 0.433 144 Y N -0.267 119.524 120.300 -0.848 0.000 2.133 144 Y HA -0.242 4.308 4.550 0.000 0.000 0.287 144 Y C 1.409 176.465 175.900 -1.407 0.000 1.134 144 Y CA 1.751 58.940 58.100 -1.518 0.000 1.133 144 Y CB -0.410 37.091 38.460 -1.598 0.000 0.987 144 Y HN 0.137 nan 8.280 nan 0.000 0.502 145 Y N 0.087 119.861 120.300 -0.877 0.000 2.574 145 Y HA 0.027 4.577 4.550 0.000 0.000 0.294 145 Y C 2.381 177.693 175.900 -0.980 0.000 1.142 145 Y CA 1.134 58.633 58.100 -1.001 0.000 1.314 145 Y CB -0.516 37.376 38.460 -0.946 0.000 0.991 145 Y HN 0.277 nan 8.280 nan 0.000 0.555 146 G N -1.796 106.614 108.800 -0.651 0.000 2.986 146 G HA2 -0.072 3.888 3.960 0.000 0.000 0.213 146 G HA3 -0.072 3.888 3.960 0.000 0.000 0.213 146 G C 1.624 176.280 174.900 -0.406 0.000 1.156 146 G CA 0.646 45.523 45.100 -0.372 0.000 0.763 146 G HN 0.424 nan 8.290 nan 0.000 0.547 147 S N 0.921 116.210 115.700 -0.686 0.000 2.362 147 S HA 0.139 4.609 4.470 0.000 0.000 0.221 147 S C 0.948 175.360 174.600 -0.312 0.000 1.032 147 S CA -0.078 57.867 58.200 -0.426 0.000 0.973 147 S CB -0.508 62.493 63.200 -0.332 0.000 0.849 147 S HN 0.263 nan 8.310 nan 0.000 0.465 148 F N 2.221 122.042 119.950 -0.216 0.000 2.418 148 F HA 0.762 5.289 4.527 0.000 0.000 0.341 148 F C 0.253 176.005 175.800 -0.079 0.000 1.120 148 F CA -2.195 55.721 58.000 -0.140 0.000 1.232 148 F CB -0.107 38.783 39.000 -0.184 0.000 1.175 148 F HN -0.252 nan 8.300 nan 0.000 0.569 149 K N 1.171 121.691 120.400 0.200 0.000 2.380 149 K HA 0.061 4.381 4.320 0.000 0.000 0.267 149 K C 0.008 176.685 176.600 0.128 0.000 0.990 149 K CA 0.210 56.567 56.287 0.117 0.000 0.946 149 K CB -0.123 32.417 32.500 0.066 0.000 0.937 149 K HN 0.811 nan 8.250 nan 0.000 0.491 150 E N -0.457 119.797 120.200 0.090 0.000 2.446 150 E HA -0.293 4.057 4.350 0.000 0.000 0.162 150 E C -0.518 176.147 176.600 0.109 0.000 1.797 150 E CA 0.307 56.749 56.400 0.071 0.000 0.619 150 E CB -1.665 28.049 29.700 0.024 0.000 1.050 150 E HN 0.583 nan 8.360 nan 0.000 0.321 151 A N 3.476 126.413 122.820 0.194 0.000 2.433 151 A HA 0.133 4.453 4.320 0.000 0.000 0.250 151 A C 0.494 178.191 177.584 0.188 0.000 1.113 151 A CA 0.384 52.619 52.037 0.329 0.000 0.794 151 A CB 0.364 19.547 19.000 0.304 0.000 1.067 151 A HN 0.517 nan 8.150 nan 0.000 0.510 152 K N 0.946 121.512 120.400 0.275 0.000 2.602 152 K HA 0.336 4.657 4.320 0.000 0.000 0.201 152 K C 0.338 177.022 176.600 0.140 0.000 1.070 152 K CA -0.133 56.241 56.287 0.145 0.000 1.026 152 K CB 0.512 33.087 32.500 0.125 0.000 1.534 152 K HN 0.612 nan 8.250 nan 0.000 0.560 153 I N 0.685 121.319 120.570 0.108 0.000 2.185 153 I HA -0.372 3.798 4.170 0.000 0.000 0.246 153 I C 2.461 178.566 176.117 -0.019 0.000 1.088 153 I CA 1.632 62.968 61.300 0.060 0.000 1.347 153 I CB -0.104 37.913 38.000 0.029 0.000 1.041 153 I HN 0.620 nan 8.210 nan 0.000 0.415 154 E N 1.182 121.371 120.200 -0.017 0.000 2.072 154 E HA -0.236 4.115 4.350 0.000 0.000 0.191 154 E C 2.055 178.616 176.600 -0.066 0.000 0.985 154 E CA 1.322 57.698 56.400 -0.040 0.000 0.801 154 E CB 0.068 29.756 29.700 -0.021 0.000 0.750 154 E HN 0.513 nan 8.360 nan 0.000 0.452 155 E N -0.614 119.552 120.200 -0.056 0.000 2.106 155 E HA -0.213 4.137 4.350 0.000 0.000 0.192 155 E C 2.026 178.403 176.600 -0.371 0.000 0.984 155 E CA 1.010 57.357 56.400 -0.088 0.000 0.806 155 E CB -0.275 29.465 29.700 0.066 0.000 0.750 155 E HN 0.469 nan 8.360 nan 0.000 0.458 156 H N 0.892 119.510 119.070 -0.753 0.000 2.265 156 H HA -0.165 4.391 4.556 0.000 0.000 0.295 156 H C 2.258 177.267 175.328 -0.532 0.000 1.084 156 H CA 1.369 56.720 56.048 -1.162 0.000 1.261 156 H CB 0.023 29.447 29.762 -0.563 0.000 1.360 156 H HN 0.060 nan 8.280 nan 0.000 0.487 157 L N 0.286 121.361 121.223 -0.246 0.000 1.989 157 L HA -0.213 4.127 4.340 0.000 0.000 0.211 157 L C 3.116 179.912 176.870 -0.124 0.000 1.071 157 L CA 1.078 55.794 54.840 -0.207 0.000 0.749 157 L CB -0.638 41.320 42.059 -0.168 0.000 0.890 157 L HN 0.436 nan 8.230 nan 0.000 0.431 158 A N 0.007 122.766 122.820 -0.103 0.000 1.884 158 A HA -0.322 3.998 4.320 0.000 0.000 0.219 158 A C 2.329 179.894 177.584 -0.031 0.000 1.197 158 A CA 2.346 54.351 52.037 -0.054 0.000 0.637 158 A CB -0.616 18.364 19.000 -0.034 0.000 0.827 158 A HN 0.314 nan 8.150 nan 0.000 0.450 159 R N -0.117 120.359 120.500 -0.041 0.000 2.073 159 R HA -0.033 4.307 4.340 0.000 0.000 0.234 159 R C 1.998 178.323 176.300 0.042 0.000 1.134 159 R CA 1.773 57.898 56.100 0.041 0.000 0.952 159 R CB -1.058 29.324 30.300 0.136 0.000 0.850 159 R HN 0.543 nan 8.270 nan 0.000 0.433 160 L N 0.358 121.590 121.223 0.015 0.000 1.956 160 L HA -0.233 4.107 4.340 0.000 0.000 0.216 160 L C 2.604 179.464 176.870 -0.016 0.000 1.073 160 L CA 2.224 57.072 54.840 0.013 0.000 0.762 160 L CB -0.642 41.403 42.059 -0.024 0.000 0.889 160 L HN 0.425 nan 8.230 nan 0.000 0.433 161 E N -0.174 120.006 120.200 -0.032 0.000 2.097 161 E HA -0.296 4.054 4.350 0.000 0.000 0.196 161 E C 2.087 178.677 176.600 -0.017 0.000 1.000 161 E CA 1.372 57.753 56.400 -0.031 0.000 0.804 161 E CB -0.010 29.670 29.700 -0.035 0.000 0.740 161 E HN 0.509 nan 8.360 nan 0.000 0.454 162 A N 0.491 123.310 122.820 -0.001 0.000 1.858 162 A HA -0.161 4.159 4.320 0.000 0.000 0.216 162 A C 2.446 180.041 177.584 0.019 0.000 1.190 162 A CA 1.711 53.758 52.037 0.017 0.000 0.617 162 A CB -0.848 18.174 19.000 0.037 0.000 0.827 162 A HN 0.224 nan 8.150 nan 0.000 0.443 163 V N -0.029 119.896 119.914 0.018 0.000 2.295 163 V HA -0.260 3.861 4.120 0.000 0.000 0.246 163 V C 2.753 178.783 176.094 -0.107 0.000 1.049 163 V CA 2.532 64.816 62.300 -0.026 0.000 1.024 163 V CB -1.496 30.295 31.823 -0.053 0.000 0.648 163 V HN 0.638 nan 8.190 nan 0.000 0.447 164 T N 0.005 114.506 114.554 -0.088 0.000 2.624 164 T HA -0.295 4.055 4.350 0.000 0.000 0.268 164 T C 1.896 176.560 174.700 -0.061 0.000 1.041 164 T CA 2.000 64.047 62.100 -0.087 0.000 1.159 164 T CB -0.310 68.523 68.868 -0.058 0.000 0.863 164 T HN 0.503 nan 8.240 nan 0.000 0.434 165 K N 0.722 121.102 120.400 -0.033 0.000 2.026 165 K HA -0.111 4.209 4.320 0.000 0.000 0.208 165 K C 2.478 179.076 176.600 -0.004 0.000 1.048 165 K CA 1.291 57.569 56.287 -0.016 0.000 0.929 165 K CB -0.206 32.290 32.500 -0.006 0.000 0.713 165 K HN 0.456 nan 8.250 nan 0.000 0.439 166 E N 1.153 121.358 120.200 0.008 0.000 2.118 166 E HA -0.197 4.153 4.350 0.000 0.000 0.195 166 E C 1.925 178.546 176.600 0.036 0.000 0.992 166 E CA 1.001 57.425 56.400 0.039 0.000 0.804 166 E CB 0.010 29.760 29.700 0.083 0.000 0.741 166 E HN 0.285 nan 8.360 nan 0.000 0.458 167 I N 0.644 121.207 120.570 -0.012 0.000 2.286 167 I HA -0.210 3.960 4.170 0.000 0.000 0.245 167 I C 2.149 178.260 176.117 -0.010 0.000 1.104 167 I CA 1.102 62.388 61.300 -0.022 0.000 1.397 167 I CB -0.283 37.642 38.000 -0.125 0.000 1.072 167 I HN 0.089 nan 8.210 nan 0.000 0.417 168 E N 0.548 120.736 120.200 -0.021 0.000 2.150 168 E HA -0.176 4.174 4.350 0.000 0.000 0.193 168 E C 2.127 178.727 176.600 -0.001 0.000 0.985 168 E CA 1.903 58.295 56.400 -0.014 0.000 0.814 168 E CB -0.132 29.556 29.700 -0.020 0.000 0.752 168 E HN 0.596 nan 8.360 nan 0.000 0.466 169 T N -1.812 112.746 114.554 0.006 0.000 3.035 169 T HA -0.041 4.309 4.350 0.000 0.000 0.259 169 T C 2.065 176.778 174.700 0.022 0.000 1.078 169 T CA 1.290 63.398 62.100 0.013 0.000 1.132 169 T CB -0.051 68.826 68.868 0.015 0.000 0.900 169 T HN 0.208 nan 8.240 nan 0.000 0.480 170 T N -3.293 111.279 114.554 0.031 0.000 2.955 170 T HA 0.596 4.946 4.350 0.000 0.000 0.251 170 T C 1.876 176.602 174.700 0.043 0.000 1.002 170 T CA 0.794 62.919 62.100 0.041 0.000 0.970 170 T CB 0.276 69.177 68.868 0.055 0.000 1.091 170 T HN 0.777 nan 8.240 nan 0.000 0.495 171 G N 0.559 109.384 108.800 0.042 0.000 2.604 171 G HA2 -0.191 3.769 3.960 0.000 0.000 0.205 171 G HA3 -0.191 3.769 3.960 0.000 0.000 0.205 171 G C 0.336 175.279 174.900 0.072 0.000 1.186 171 G CA 0.382 45.508 45.100 0.042 0.000 0.753 171 G HN 0.832 nan 8.290 nan 0.000 0.526 172 T N -0.442 114.177 114.554 0.107 0.000 2.797 172 T HA 0.754 5.104 4.350 0.000 0.000 0.267 172 T C -0.774 174.115 174.700 0.314 0.000 0.986 172 T CA 0.693 62.909 62.100 0.193 0.000 0.999 172 T CB 1.222 70.159 68.868 0.114 0.000 1.508 172 T HN 1.681 nan 8.240 nan 0.000 0.595 173 Y N -1.028 119.285 120.300 0.022 0.000 2.741 173 Y HA 0.645 5.195 4.550 0.000 0.000 0.339 173 Y C -1.804 174.123 175.900 0.045 0.000 1.226 173 Y CA -1.351 56.772 58.100 0.038 0.000 1.072 173 Y CB 0.526 39.018 38.460 0.053 0.000 1.331 173 Y HN 0.380 nan 8.280 nan 0.000 0.453 174 Q N 2.332 122.121 119.800 -0.018 0.000 2.309 174 Q HA 0.516 4.856 4.340 0.000 0.000 0.264 174 Q C -0.947 175.003 176.000 -0.083 0.000 1.008 174 Q CA -0.923 54.820 55.803 -0.101 0.000 0.853 174 Q CB 2.742 31.483 28.738 0.006 0.000 1.314 174 Q HN 0.644 nan 8.270 nan 0.000 0.448 175 L N 1.345 122.512 121.223 -0.095 0.000 2.399 175 L HA 0.421 4.761 4.340 0.000 0.000 0.265 175 L C 1.072 177.958 176.870 0.027 0.000 1.089 175 L CA -0.337 54.511 54.840 0.012 0.000 0.802 175 L CB 0.225 42.319 42.059 0.058 0.000 1.180 175 L HN 0.692 nan 8.230 nan 0.000 0.454 176 T N -1.319 113.243 114.554 0.013 0.000 2.910 176 T HA 0.176 4.526 4.350 0.000 0.000 0.293 176 T C 1.352 176.055 174.700 0.005 0.000 1.015 176 T CA -0.675 61.425 62.100 0.000 0.000 1.094 176 T CB 0.991 69.843 68.868 -0.027 0.000 0.968 176 T HN 0.481 nan 8.240 nan 0.000 0.521 177 L N 0.941 122.172 121.223 0.012 0.000 2.089 177 L HA -0.166 4.174 4.340 0.000 0.000 0.213 177 L C 1.879 178.774 176.870 0.042 0.000 1.079 177 L CA 2.148 56.996 54.840 0.013 0.000 0.758 177 L CB -1.216 40.849 42.059 0.009 0.000 0.891 177 L HN 0.841 nan 8.230 nan 0.000 0.433 178 D N -0.343 120.093 120.400 0.061 0.000 2.117 178 D HA -0.189 4.451 4.640 0.000 0.000 0.198 178 D C 1.941 178.386 176.300 0.241 0.000 0.982 178 D CA 1.226 55.313 54.000 0.146 0.000 0.828 178 D CB 0.288 41.191 40.800 0.172 0.000 0.967 178 D HN 0.556 nan 8.370 nan 0.000 0.464 179 E N 0.401 120.618 120.200 0.029 0.000 2.051 179 E HA -0.185 4.165 4.350 0.000 0.000 0.192 179 E C 2.158 178.996 176.600 0.397 0.000 0.991 179 E CA 0.421 56.843 56.400 0.037 0.000 0.799 179 E CB -0.097 29.525 29.700 -0.130 0.000 0.748 179 E HN 0.103 nan 8.360 nan 0.000 0.449 180 L N 1.477 122.807 121.223 0.177 0.000 1.990 180 L HA -0.229 4.111 4.340 0.000 0.000 0.213 180 L C 2.080 178.999 176.870 0.082 0.000 1.072 180 L CA 1.619 56.493 54.840 0.056 0.000 0.755 180 L CB -0.456 41.568 42.059 -0.058 0.000 0.889 180 L HN 0.127 nan 8.230 nan 0.000 0.432 181 I N -0.650 119.987 120.570 0.111 0.000 2.118 181 I HA -0.355 3.815 4.170 0.000 0.000 0.241 181 I C 2.563 178.787 176.117 0.178 0.000 1.070 181 I CA 1.949 63.307 61.300 0.096 0.000 1.327 181 I CB -1.680 36.383 38.000 0.105 0.000 1.034 181 I HN 0.369 nan 8.210 nan 0.000 0.405 182 F N 1.926 121.988 119.950 0.186 0.000 2.095 182 F HA -0.242 4.285 4.527 0.000 0.000 0.298 182 F C 2.535 178.478 175.800 0.237 0.000 1.104 182 F CA 2.052 60.197 58.000 0.241 0.000 1.232 182 F CB -0.287 38.942 39.000 0.382 0.000 0.987 182 F HN 0.044 nan 8.300 nan 0.000 0.475 183 A N 0.097 123.113 122.820 0.327 0.000 1.877 183 A HA -0.225 4.095 4.320 0.000 0.000 0.216 183 A C 2.288 179.802 177.584 -0.116 0.000 1.186 183 A CA 2.732 54.803 52.037 0.057 0.000 0.620 183 A CB -1.704 17.241 19.000 -0.092 0.000 0.822 183 A HN 0.577 nan 8.150 nan 0.000 0.443 184 T N -1.258 113.259 114.554 -0.062 0.000 2.684 184 T HA -0.208 4.142 4.350 0.000 0.000 0.267 184 T C 1.800 176.557 174.700 0.095 0.000 1.036 184 T CA 1.709 63.805 62.100 -0.006 0.000 1.148 184 T CB -0.434 68.435 68.868 0.000 0.000 0.863 184 T HN 0.558 nan 8.240 nan 0.000 0.436 185 K N 0.131 120.582 120.400 0.084 0.000 2.097 185 K HA 0.076 4.396 4.320 0.000 0.000 0.205 185 K C 2.338 179.025 176.600 0.146 0.000 1.050 185 K CA 1.345 57.760 56.287 0.213 0.000 0.938 185 K CB -0.309 32.291 32.500 0.166 0.000 0.718 185 K HN 0.248 nan 8.250 nan 0.000 0.442 186 M N 1.066 120.580 119.600 -0.145 0.000 2.132 186 M HA -0.040 4.440 4.480 0.000 0.000 0.263 186 M C 2.077 178.253 176.300 -0.206 0.000 1.065 186 M CA 1.319 56.441 55.300 -0.296 0.000 1.122 186 M CB -0.308 32.005 32.600 -0.478 0.000 1.365 186 M HN 0.152 nan 8.290 nan 0.000 0.411 187 A N -0.730 121.959 122.820 -0.219 0.000 1.908 187 A HA -0.225 4.095 4.320 0.000 0.000 0.218 187 A C 2.033 179.547 177.584 -0.118 0.000 1.181 187 A CA 1.854 53.647 52.037 -0.407 0.000 0.627 187 A CB -1.520 16.870 19.000 -1.017 0.000 0.818 187 A HN 0.807 nan 8.150 nan 0.000 0.445 188 W N 0.947 122.233 121.300 -0.024 0.000 2.378 188 W HA -0.141 4.519 4.660 0.000 0.000 0.313 188 W C 2.315 178.758 176.519 -0.126 0.000 1.197 188 W CA 1.572 58.901 57.345 -0.027 0.000 1.304 188 W CB -0.880 28.544 29.460 -0.060 0.000 1.148 188 W HN 0.374 nan 8.180 nan 0.000 0.494 189 R N 0.440 120.893 120.500 -0.079 0.000 2.133 189 R HA -0.201 4.139 4.340 0.000 0.000 0.247 189 R C 1.179 177.333 176.300 -0.243 0.000 1.151 189 R CA 1.934 57.811 56.100 -0.371 0.000 0.971 189 R CB -0.590 29.302 30.300 -0.679 0.000 0.866 189 R HN 0.092 nan 8.270 nan 0.000 0.447 190 N N 0.018 118.608 118.700 -0.184 0.000 2.322 190 N HA 0.072 4.812 4.740 0.000 0.000 0.216 190 N C -0.958 174.452 175.510 -0.167 0.000 1.144 190 N CA 0.425 53.389 53.050 -0.142 0.000 0.830 190 N CB 1.238 39.689 38.487 -0.060 0.000 1.034 190 N HN 0.165 nan 8.380 nan 0.000 0.484 191 A N 2.090 124.802 122.820 -0.180 0.000 2.506 191 A HA 0.298 4.618 4.320 0.000 0.000 0.320 191 A C -1.106 176.383 177.584 -0.159 0.000 1.424 191 A CA -1.247 50.619 52.037 -0.285 0.000 1.044 191 A CB 0.604 19.479 19.000 -0.208 0.000 1.140 191 A HN -0.034 nan 8.150 nan 0.000 0.538 192 P HA -0.137 nan 4.420 nan 0.000 0.228 192 P C 0.645 177.870 177.300 -0.126 0.000 1.151 192 P CA 0.947 63.982 63.100 -0.108 0.000 0.770 192 P CB 0.198 31.826 31.700 -0.121 0.000 0.786 193 R N -1.304 119.074 120.500 -0.204 0.000 2.507 193 R HA 0.197 4.537 4.340 0.000 0.000 0.298 193 R C 0.190 176.455 176.300 -0.058 0.000 0.999 193 R CA -0.248 55.743 56.100 -0.180 0.000 1.082 193 R CB -0.092 29.892 30.300 -0.526 0.000 1.246 193 R HN 0.147 nan 8.270 nan 0.000 0.553 194 C N 0.541 119.795 119.300 -0.077 0.000 2.281 194 C HA 0.415 4.875 4.460 0.000 0.000 0.325 194 C C 1.612 176.541 174.990 -0.103 0.000 1.282 194 C CA -0.726 58.269 59.018 -0.037 0.000 1.640 194 C CB -0.126 27.646 27.740 0.054 0.000 2.288 194 C HN 0.510 nan 8.230 nan 0.000 0.507 195 I N 4.198 124.680 120.570 -0.148 0.000 3.059 195 I HA 0.133 4.303 4.170 0.000 0.000 0.270 195 I C 2.167 178.301 176.117 0.028 0.000 1.238 195 I CA 1.088 62.243 61.300 -0.243 0.000 1.478 195 I CB -0.184 37.694 38.000 -0.204 0.000 1.097 195 I HN 0.907 nan 8.210 nan 0.000 0.455 196 G N 0.853 109.679 108.800 0.042 0.000 3.371 196 G HA2 0.053 4.013 3.960 0.000 0.000 0.248 196 G HA3 0.053 4.013 3.960 0.000 0.000 0.248 196 G C 1.296 176.229 174.900 0.055 0.000 1.161 196 G CA -0.384 44.751 45.100 0.058 0.000 0.796 196 G HN 0.236 nan 8.290 nan 0.000 0.539 197 R N -0.078 120.410 120.500 -0.020 0.000 2.355 197 R HA 0.028 4.368 4.340 0.000 0.000 0.219 197 R C 1.899 177.711 176.300 -0.813 0.000 1.107 197 R CA 0.310 56.145 56.100 -0.442 0.000 1.021 197 R CB -0.246 29.827 30.300 -0.378 0.000 0.852 197 R HN 0.456 nan 8.270 nan 0.000 0.475 198 I N 1.004 121.228 120.570 -0.577 0.000 2.916 198 I HA -0.211 3.959 4.170 0.000 0.000 0.267 198 I C 1.455 177.455 176.117 -0.195 0.000 1.263 198 I CA 1.124 62.254 61.300 -0.283 0.000 1.471 198 I CB 0.160 38.152 38.000 -0.013 0.000 1.089 198 I HN 0.159 nan 8.210 nan 0.000 0.468 199 Q N 0.366 119.983 119.800 -0.305 0.000 2.360 199 Q HA -0.080 4.260 4.340 0.000 0.000 0.202 199 Q C 1.620 177.063 176.000 -0.929 0.000 0.915 199 Q CA 0.280 55.882 55.803 -0.335 0.000 0.943 199 Q CB -0.147 28.577 28.738 -0.024 0.000 1.064 199 Q HN 0.771 nan 8.270 nan 0.000 0.511 200 W N 1.368 121.709 121.300 -1.597 0.000 2.285 200 W HA -0.267 4.393 4.660 0.000 0.000 0.290 200 W C 1.086 177.067 176.519 -0.896 0.000 1.217 200 W CA 1.636 57.706 57.345 -2.126 0.000 1.207 200 W CB -1.351 27.297 29.460 -1.354 0.000 1.136 200 W HN 0.147 nan 8.180 nan 0.000 0.546 201 S N -0.293 114.421 115.700 -1.643 0.000 2.528 201 S HA -0.006 4.464 4.470 0.000 0.000 0.219 201 S C 0.810 175.091 174.600 -0.532 0.000 0.985 201 S CA 0.108 57.536 58.200 -1.286 0.000 0.914 201 S CB -0.568 61.717 63.200 -1.525 0.000 0.776 201 S HN 0.237 nan 8.310 nan 0.000 0.526 202 N N 1.568 120.061 118.700 -0.345 0.000 2.767 202 N HA 0.378 5.118 4.740 0.000 0.000 0.238 202 N C -1.554 174.022 175.510 0.109 0.000 1.083 202 N CA -0.192 52.807 53.050 -0.085 0.000 0.964 202 N CB 0.578 39.049 38.487 -0.026 0.000 1.252 202 N HN 0.336 nan 8.380 nan 0.000 0.512 203 L N 2.658 123.913 121.223 0.053 0.000 2.476 203 L HA 0.345 4.685 4.340 0.000 0.000 0.269 203 L C -0.754 176.055 176.870 -0.101 0.000 0.965 203 L CA -0.627 54.246 54.840 0.055 0.000 0.845 203 L CB 1.943 44.097 42.059 0.158 0.000 1.259 203 L HN 0.282 nan 8.230 nan 0.000 0.403 204 Q N 2.985 122.669 119.800 -0.193 0.000 2.286 204 Q HA 0.557 4.897 4.340 0.000 0.000 0.257 204 Q C -1.568 174.033 176.000 -0.665 0.000 0.941 204 Q CA -0.026 55.485 55.803 -0.486 0.000 0.912 204 Q CB 1.355 29.673 28.738 -0.700 0.000 1.192 204 Q HN 0.507 nan 8.270 nan 0.000 0.410 205 V N 5.916 125.441 119.914 -0.648 0.000 2.357 205 V HA 0.413 4.533 4.120 0.000 0.000 0.284 205 V C -0.920 174.823 176.094 -0.585 0.000 1.018 205 V CA -0.602 61.391 62.300 -0.512 0.000 0.841 205 V CB 0.695 32.365 31.823 -0.254 0.000 0.991 205 V HN 0.638 nan 8.190 nan 0.000 0.437 206 F N 2.659 122.473 119.950 -0.225 0.000 2.308 206 F HA 0.354 4.881 4.527 0.000 0.000 0.370 206 F C 0.531 176.191 175.800 -0.233 0.000 1.100 206 F CA -1.440 56.428 58.000 -0.220 0.000 1.108 206 F CB 0.892 39.758 39.000 -0.224 0.000 1.293 206 F HN 0.464 nan 8.300 nan 0.000 0.478 207 D N 3.293 123.684 120.400 -0.016 0.000 2.416 207 D HA 0.281 4.921 4.640 0.000 0.000 0.240 207 D C 0.422 176.647 176.300 -0.126 0.000 1.250 207 D CA 0.185 54.128 54.000 -0.095 0.000 0.967 207 D CB 0.616 41.380 40.800 -0.060 0.000 1.059 207 D HN 0.547 nan 8.370 nan 0.000 0.512 208 A N 4.404 127.045 122.820 -0.299 0.000 2.708 208 A HA 0.166 4.486 4.320 0.000 0.000 0.293 208 A C 1.686 179.097 177.584 -0.289 0.000 1.303 208 A CA -0.439 51.316 52.037 -0.470 0.000 0.949 208 A CB -0.059 18.279 19.000 -1.103 0.000 1.121 208 A HN 0.506 nan 8.150 nan 0.000 0.542 209 R N 0.578 120.977 120.500 -0.168 0.000 2.285 209 R HA -0.106 4.234 4.340 0.000 0.000 0.213 209 R C 1.259 177.507 176.300 -0.086 0.000 1.068 209 R CA 1.461 57.500 56.100 -0.102 0.000 1.004 209 R CB -0.169 30.114 30.300 -0.028 0.000 0.873 209 R HN 0.904 nan 8.270 nan 0.000 0.467 210 N N -0.698 117.969 118.700 -0.054 0.000 2.280 210 N HA -0.012 4.728 4.740 0.000 0.000 0.192 210 N C 0.562 176.096 175.510 0.040 0.000 1.109 210 N CA -0.441 52.610 53.050 0.002 0.000 0.855 210 N CB 0.126 38.632 38.487 0.031 0.000 0.974 210 N HN -0.007 nan 8.380 nan 0.000 0.482 211 C N 1.816 121.125 119.300 0.015 0.000 2.702 211 C HA 0.178 4.638 4.460 0.000 0.000 0.411 211 C C 1.691 176.803 174.990 0.204 0.000 1.286 211 C CA 0.651 59.752 59.018 0.139 0.000 1.979 211 C CB 0.354 28.179 27.740 0.143 0.000 2.728 211 C HN 0.610 nan 8.230 nan 0.000 0.652 212 S N 1.083 116.963 115.700 0.300 0.000 2.800 212 S HA 0.216 4.687 4.470 0.000 0.000 0.266 212 S C 0.014 174.749 174.600 0.225 0.000 1.029 212 S CA 0.345 58.757 58.200 0.353 0.000 1.302 212 S CB -0.301 63.020 63.200 0.202 0.000 1.212 212 S HN 1.136 nan 8.310 nan 0.000 0.683 213 T N -1.388 113.283 114.554 0.194 0.000 2.916 213 T HA 0.855 5.205 4.350 0.000 0.000 0.292 213 T C 1.201 175.952 174.700 0.084 0.000 1.064 213 T CA -0.229 61.930 62.100 0.098 0.000 1.011 213 T CB 1.424 70.349 68.868 0.096 0.000 1.152 213 T HN 0.228 nan 8.240 nan 0.000 0.510 214 A N 0.384 123.237 122.820 0.056 0.000 1.933 214 A HA -0.086 4.234 4.320 0.000 0.000 0.218 214 A C 2.289 179.839 177.584 -0.055 0.000 1.175 214 A CA 2.073 54.143 52.037 0.055 0.000 0.628 214 A CB -1.097 18.057 19.000 0.256 0.000 0.814 214 A HN 0.866 nan 8.150 nan 0.000 0.444 215 Q N 0.235 120.091 119.800 0.093 0.000 2.084 215 Q HA -0.171 4.169 4.340 0.000 0.000 0.202 215 Q C 1.805 177.843 176.000 0.063 0.000 0.978 215 Q CA 2.230 58.086 55.803 0.088 0.000 0.844 215 Q CB -0.343 28.506 28.738 0.186 0.000 0.898 215 Q HN 0.759 nan 8.270 nan 0.000 0.426 216 E N -0.426 119.838 120.200 0.107 0.000 2.077 216 E HA -0.193 4.157 4.350 0.000 0.000 0.193 216 E C 2.074 178.854 176.600 0.299 0.000 0.989 216 E CA 1.277 57.782 56.400 0.175 0.000 0.800 216 E CB -0.184 29.669 29.700 0.255 0.000 0.746 216 E HN 0.426 nan 8.360 nan 0.000 0.452 217 M N 0.201 119.917 119.600 0.193 0.000 2.065 217 M HA -0.201 4.279 4.480 0.000 0.000 0.259 217 M C 2.276 178.648 176.300 0.119 0.000 1.071 217 M CA 1.499 56.865 55.300 0.110 0.000 1.109 217 M CB -0.370 32.090 32.600 -0.234 0.000 1.313 217 M HN 0.124 nan 8.290 nan 0.000 0.408 218 F N 1.303 121.055 119.950 -0.331 0.000 2.147 218 F HA -0.324 4.203 4.527 0.000 0.000 0.301 218 F C 2.181 177.881 175.800 -0.167 0.000 1.084 218 F CA 2.008 59.743 58.000 -0.441 0.000 1.268 218 F CB -0.537 37.846 39.000 -1.029 0.000 1.009 218 F HN 0.266 nan 8.300 nan 0.000 0.486 219 Q N -1.439 118.218 119.800 -0.238 0.000 2.096 219 Q HA -0.162 4.178 4.340 0.000 0.000 0.197 219 Q C 2.000 177.855 176.000 -0.242 0.000 0.964 219 Q CA 1.688 57.288 55.803 -0.339 0.000 0.838 219 Q CB -0.483 28.105 28.738 -0.250 0.000 0.906 219 Q HN 0.550 nan 8.270 nan 0.000 0.444 220 H N 0.500 119.542 119.070 -0.045 0.000 2.387 220 H HA -0.076 4.480 4.556 0.000 0.000 0.299 220 H C 1.901 177.209 175.328 -0.034 0.000 1.090 220 H CA 1.399 57.422 56.048 -0.041 0.000 1.332 220 H CB 0.030 29.839 29.762 0.077 0.000 1.386 220 H HN 0.165 nan 8.280 nan 0.000 0.516 221 I N -0.598 120.067 120.570 0.158 0.000 2.202 221 I HA -0.311 3.859 4.170 0.000 0.000 0.242 221 I C 2.129 178.230 176.117 -0.027 0.000 1.091 221 I CA 0.827 62.181 61.300 0.092 0.000 1.368 221 I CB -0.316 37.740 38.000 0.094 0.000 1.058 221 I HN 0.380 nan 8.210 nan 0.000 0.410 222 C N 0.492 119.674 119.300 -0.197 0.000 2.413 222 C HA -0.190 4.270 4.460 0.000 0.000 0.276 222 C C 3.008 177.920 174.990 -0.130 0.000 1.248 222 C CA 1.052 59.935 59.018 -0.225 0.000 1.742 222 C CB -1.235 26.247 27.740 -0.430 0.000 2.017 222 C HN 0.466 nan 8.230 nan 0.000 0.481 223 R N -0.133 120.264 120.500 -0.171 0.000 2.091 223 R HA -0.186 4.154 4.340 0.000 0.000 0.238 223 R C 2.425 178.639 176.300 -0.143 0.000 1.136 223 R CA 1.777 57.753 56.100 -0.207 0.000 0.959 223 R CB -0.715 29.371 30.300 -0.356 0.000 0.856 223 R HN 0.664 nan 8.270 nan 0.000 0.437 224 H N 1.093 120.047 119.070 -0.194 0.000 2.267 224 H HA -0.132 4.424 4.556 0.000 0.000 0.297 224 H C 2.143 177.540 175.328 0.116 0.000 1.080 224 H CA 2.359 58.407 56.048 -0.000 0.000 1.278 224 H CB -0.436 29.360 29.762 0.058 0.000 1.365 224 H HN 0.233 nan 8.280 nan 0.000 0.489 225 I N 0.611 121.357 120.570 0.293 0.000 2.151 225 I HA -0.319 3.851 4.170 0.000 0.000 0.243 225 I C 3.045 179.249 176.117 0.146 0.000 1.080 225 I CA 1.096 62.512 61.300 0.192 0.000 1.339 225 I CB -0.359 37.681 38.000 0.067 0.000 1.039 225 I HN 0.250 nan 8.210 nan 0.000 0.409 226 L N -0.297 120.981 121.223 0.092 0.000 1.994 226 L HA -0.289 4.051 4.340 0.000 0.000 0.208 226 L C 2.753 179.673 176.870 0.083 0.000 1.071 226 L CA 1.856 56.731 54.840 0.059 0.000 0.745 226 L CB -0.489 41.581 42.059 0.017 0.000 0.892 226 L HN 0.275 nan 8.230 nan 0.000 0.431 227 Y N 0.402 120.719 120.300 0.029 0.000 2.145 227 Y HA -0.286 4.264 4.550 0.000 0.000 0.286 227 Y C 2.363 178.323 175.900 0.100 0.000 1.145 227 Y CA 1.842 59.986 58.100 0.073 0.000 1.148 227 Y CB -0.383 38.165 38.460 0.147 0.000 0.981 227 Y HN 0.219 nan 8.280 nan 0.000 0.507 228 A N -0.879 122.025 122.820 0.139 0.000 1.930 228 A HA -0.123 4.197 4.320 0.000 0.000 0.217 228 A C 2.202 179.805 177.584 0.031 0.000 1.175 228 A CA 2.027 54.118 52.037 0.089 0.000 0.627 228 A CB -1.217 17.959 19.000 0.293 0.000 0.815 228 A HN 0.512 nan 8.150 nan 0.000 0.443 229 T N -0.139 114.447 114.554 0.053 0.000 2.777 229 T HA -0.101 4.249 4.350 0.000 0.000 0.266 229 T C 1.158 175.852 174.700 -0.009 0.000 1.040 229 T CA 1.234 63.363 62.100 0.049 0.000 1.141 229 T CB -0.389 68.513 68.868 0.057 0.000 0.868 229 T HN 0.628 nan 8.240 nan 0.000 0.444 230 N N 1.862 120.525 118.700 -0.061 0.000 2.701 230 N HA -0.284 4.456 4.740 0.000 0.000 0.250 230 N C 0.191 175.670 175.510 -0.052 0.000 1.046 230 N CA 1.013 54.007 53.050 -0.092 0.000 0.733 230 N CB -2.065 36.321 38.487 -0.168 0.000 0.973 230 N HN 0.694 nan 8.380 nan 0.000 0.541 231 N N -2.372 116.312 118.700 -0.027 0.000 2.776 231 N HA -0.232 4.508 4.740 0.000 0.000 0.250 231 N C 0.837 176.331 175.510 -0.026 0.000 1.112 231 N CA 1.193 54.229 53.050 -0.023 0.000 0.733 231 N CB -1.268 37.203 38.487 -0.027 0.000 1.097 231 N HN 1.055 nan 8.380 nan 0.000 0.558 232 G N 0.323 109.114 108.800 -0.014 0.000 2.313 232 G HA2 -0.300 3.660 3.960 0.000 0.000 0.215 232 G HA3 -0.300 3.660 3.960 0.000 0.000 0.215 232 G C -0.088 174.801 174.900 -0.018 0.000 1.023 232 G CA 0.259 45.352 45.100 -0.012 0.000 0.626 232 G HN 0.572 nan 8.290 nan 0.000 0.503 233 N N 1.905 120.579 118.700 -0.043 0.000 2.968 233 N HA 0.358 5.098 4.740 0.000 0.000 0.271 233 N C 0.569 176.047 175.510 -0.052 0.000 1.174 233 N CA -0.728 52.278 53.050 -0.073 0.000 1.096 233 N CB -0.145 38.295 38.487 -0.078 0.000 1.403 233 N HN 0.205 nan 8.380 nan 0.000 0.522 234 I N 2.480 123.047 120.570 -0.005 0.000 2.821 234 I HA -0.068 4.102 4.170 0.000 0.000 0.294 234 I C 0.777 177.006 176.117 0.186 0.000 1.210 234 I CA 0.880 62.249 61.300 0.115 0.000 1.430 234 I CB -0.091 38.069 38.000 0.266 0.000 1.356 234 I HN 0.420 nan 8.210 nan 0.000 0.563 235 R N 3.939 124.511 120.500 0.119 0.000 2.562 235 R HA 0.412 4.752 4.340 0.000 0.000 0.298 235 R C -0.375 176.034 176.300 0.181 0.000 0.961 235 R CA -0.657 55.521 56.100 0.130 0.000 0.881 235 R CB 1.892 32.101 30.300 -0.153 0.000 1.159 235 R HN 0.528 nan 8.270 nan 0.000 0.450 236 S N 1.441 117.245 115.700 0.174 0.000 2.528 236 S HA 0.552 5.022 4.470 0.000 0.000 0.277 236 S C -0.446 174.170 174.600 0.028 0.000 1.297 236 S CA -0.339 57.873 58.200 0.020 0.000 1.052 236 S CB 1.316 64.434 63.200 -0.137 0.000 0.917 236 S HN 0.692 nan 8.310 nan 0.000 0.492 237 A N 3.037 125.847 122.820 -0.017 0.000 2.609 237 A HA 0.866 5.186 4.320 0.000 0.000 0.291 237 A C -1.333 176.219 177.584 -0.054 0.000 1.096 237 A CA -0.683 51.253 52.037 -0.168 0.000 0.684 237 A CB 1.176 20.001 19.000 -0.293 0.000 1.282 237 A HN 0.791 nan 8.150 nan 0.000 0.412 238 I N -0.052 120.444 120.570 -0.124 0.000 2.722 238 I HA 0.636 4.806 4.170 0.000 0.000 0.295 238 I C -1.185 174.966 176.117 0.057 0.000 1.161 238 I CA -0.115 61.252 61.300 0.112 0.000 1.032 238 I CB 2.458 40.470 38.000 0.019 0.000 1.244 238 I HN 0.571 nan 8.210 nan 0.000 0.421 239 T N 6.180 120.830 114.554 0.160 0.000 2.791 239 T HA 0.406 4.756 4.350 0.000 0.000 0.288 239 T C -0.757 173.758 174.700 -0.308 0.000 0.999 239 T CA -0.315 61.755 62.100 -0.050 0.000 0.952 239 T CB 1.312 70.165 68.868 -0.025 0.000 0.938 239 T HN 0.263 nan 8.240 nan 0.000 0.444 240 V N 5.599 125.299 119.914 -0.357 0.000 2.334 240 V HA 0.414 4.534 4.120 0.000 0.000 0.267 240 V C -0.145 175.712 176.094 -0.394 0.000 1.040 240 V CA -0.618 61.477 62.300 -0.342 0.000 0.866 240 V CB -0.440 31.155 31.823 -0.379 0.000 1.019 240 V HN 0.757 nan 8.190 nan 0.000 0.468 241 F N 5.141 125.039 119.950 -0.088 0.000 2.362 241 F HA 0.441 4.968 4.527 0.000 0.000 0.311 241 F C -1.666 174.020 175.800 -0.191 0.000 1.161 241 F CA -2.458 55.410 58.000 -0.221 0.000 1.085 241 F CB 0.534 39.414 39.000 -0.199 0.000 1.311 241 F HN 0.308 nan 8.300 nan 0.000 0.524 242 P HA -0.098 nan 4.420 nan 0.000 0.263 242 P C -1.185 176.118 177.300 0.006 0.000 1.168 242 P CA 0.209 63.166 63.100 -0.237 0.000 0.759 242 P CB 0.158 31.477 31.700 -0.634 0.000 0.782 243 Q N 3.133 122.932 119.800 -0.002 0.000 2.417 243 Q HA 0.137 4.477 4.340 0.000 0.000 0.241 243 Q C 0.143 176.034 176.000 -0.181 0.000 1.008 243 Q CA -0.678 54.903 55.803 -0.369 0.000 0.901 243 Q CB 0.753 29.014 28.738 -0.794 0.000 1.259 243 Q HN 0.316 nan 8.270 nan 0.000 0.489 244 R N 1.319 121.689 120.500 -0.215 0.000 2.449 244 R HA 0.026 4.366 4.340 0.000 0.000 0.296 244 R C 0.012 176.277 176.300 -0.058 0.000 1.047 244 R CA 0.660 56.722 56.100 -0.063 0.000 1.018 244 R CB 0.555 30.818 30.300 -0.062 0.000 0.962 244 R HN 0.953 nan 8.270 nan 0.000 0.428 245 S N 3.358 119.073 115.700 0.025 0.000 2.836 245 S HA -0.042 4.428 4.470 0.000 0.000 0.164 245 S C 1.074 175.692 174.600 0.029 0.000 0.714 245 S CA 0.294 58.515 58.200 0.036 0.000 0.906 245 S CB -0.315 62.943 63.200 0.097 0.000 0.702 245 S HN 0.807 nan 8.310 nan 0.000 0.571 246 D N 0.871 121.298 120.400 0.045 0.000 2.107 246 D HA 0.220 4.860 4.640 0.000 0.000 0.204 246 D C 1.594 177.881 176.300 -0.021 0.000 0.978 246 D CA 1.668 55.669 54.000 0.002 0.000 0.852 246 D CB -0.890 39.895 40.800 -0.025 0.000 1.008 246 D HN 0.776 nan 8.370 nan 0.000 0.458 247 G N -0.158 108.622 108.800 -0.035 0.000 3.609 247 G HA2 -0.140 3.820 3.960 0.000 0.000 0.219 247 G HA3 -0.140 3.820 3.960 0.000 0.000 0.219 247 G C 1.016 175.883 174.900 -0.056 0.000 0.951 247 G CA 0.108 45.190 45.100 -0.032 0.000 0.867 247 G HN 0.304 nan 8.290 nan 0.000 0.478 248 K N 0.372 120.675 120.400 -0.163 0.000 2.444 248 K HA 0.282 4.602 4.320 0.000 0.000 0.193 248 K C 0.351 176.826 176.600 -0.208 0.000 1.024 248 K CA 0.294 56.448 56.287 -0.221 0.000 1.077 248 K CB 0.035 32.333 32.500 -0.336 0.000 0.833 248 K HN 0.552 nan 8.250 nan 0.000 0.517 249 H N 0.744 119.829 119.070 0.025 0.000 2.500 249 H HA 0.174 4.730 4.556 0.000 0.000 0.243 249 H C -0.972 174.402 175.328 0.077 0.000 1.318 249 H CA -0.812 55.254 56.048 0.029 0.000 1.077 249 H CB 0.435 30.227 29.762 0.049 0.000 1.748 249 H HN 0.027 nan 8.280 nan 0.000 0.556 250 D N 0.624 121.121 120.400 0.162 0.000 2.255 250 D HA 0.092 4.733 4.640 0.000 0.000 0.249 250 D C -0.127 176.264 176.300 0.152 0.000 1.078 250 D CA -0.069 54.045 54.000 0.189 0.000 0.896 250 D CB 1.193 42.071 40.800 0.131 0.000 1.194 250 D HN 0.155 nan 8.370 nan 0.000 0.429 251 F N 1.956 121.949 119.950 0.070 0.000 2.408 251 F HA 0.369 4.896 4.527 0.000 0.000 0.344 251 F C 0.896 176.726 175.800 0.049 0.000 1.112 251 F CA -0.287 57.726 58.000 0.022 0.000 1.096 251 F CB 0.868 39.862 39.000 -0.010 0.000 1.129 251 F HN -0.146 nan 8.300 nan 0.000 0.486 252 R N 3.422 124.023 120.500 0.169 0.000 2.651 252 R HA 0.520 4.860 4.340 0.000 0.000 0.278 252 R C -1.796 174.648 176.300 0.239 0.000 1.010 252 R CA -1.133 55.087 56.100 0.201 0.000 0.896 252 R CB 2.145 32.572 30.300 0.212 0.000 1.211 252 R HN 0.484 nan 8.270 nan 0.000 0.456 253 L N 1.787 123.142 121.223 0.219 0.000 2.265 253 L HA 0.353 4.693 4.340 0.000 0.000 0.289 253 L C 0.634 177.712 176.870 0.347 0.000 1.033 253 L CA -0.119 54.859 54.840 0.231 0.000 0.814 253 L CB 0.928 43.064 42.059 0.128 0.000 1.203 253 L HN 0.584 nan 8.230 nan 0.000 0.423 254 W N 0.761 122.137 121.300 0.127 0.000 2.467 254 W HA -0.006 4.655 4.660 0.000 0.000 0.275 254 W C 0.829 177.471 176.519 0.206 0.000 1.239 254 W CA -0.227 57.276 57.345 0.264 0.000 1.266 254 W CB -0.750 28.979 29.460 0.449 0.000 1.112 254 W HN 0.487 nan 8.180 nan 0.000 0.576 255 N N -0.010 118.876 118.700 0.310 0.000 2.416 255 N HA -0.004 4.736 4.740 0.000 0.000 0.246 255 N C 1.302 176.701 175.510 -0.186 0.000 1.260 255 N CA 0.942 53.906 53.050 -0.143 0.000 0.897 255 N CB 0.570 39.074 38.487 0.028 0.000 1.110 255 N HN -0.109 nan 8.380 nan 0.000 0.439 256 S N -0.280 115.234 115.700 -0.310 0.000 2.446 256 S HA -0.043 4.427 4.470 0.000 0.000 0.225 256 S C 0.240 174.748 174.600 -0.153 0.000 1.016 256 S CA 0.341 58.432 58.200 -0.181 0.000 0.943 256 S CB -0.178 62.929 63.200 -0.155 0.000 0.786 256 S HN 0.698 nan 8.310 nan 0.000 0.508 257 Q N -0.326 119.379 119.800 -0.158 0.000 2.418 257 Q HA 0.465 4.805 4.340 0.000 0.000 0.282 257 Q C -0.134 175.773 176.000 -0.155 0.000 1.044 257 Q CA -0.923 54.789 55.803 -0.152 0.000 0.813 257 Q CB 1.124 29.806 28.738 -0.093 0.000 1.428 257 Q HN 0.023 nan 8.270 nan 0.000 0.402 258 L N 0.618 121.743 121.223 -0.164 0.000 1.971 258 L HA -0.083 4.257 4.340 0.000 0.000 0.215 258 L C 0.749 177.505 176.870 -0.189 0.000 1.072 258 L CA 1.969 56.721 54.840 -0.146 0.000 0.758 258 L CB -0.460 41.505 42.059 -0.157 0.000 0.889 258 L HN 0.659 nan 8.230 nan 0.000 0.433 259 I N -1.386 119.002 120.570 -0.304 0.000 2.377 259 I HA 0.533 4.703 4.170 0.000 0.000 0.293 259 I C -0.065 175.457 176.117 -0.992 0.000 0.987 259 I CA -0.242 60.700 61.300 -0.596 0.000 1.185 259 I CB 1.609 39.211 38.000 -0.663 0.000 1.341 259 I HN 0.053 nan 8.210 nan 0.000 0.455 260 R N 4.147 124.106 120.500 -0.901 0.000 2.644 260 R HA 0.453 4.794 4.340 0.000 0.000 0.257 260 R C -2.078 173.968 176.300 -0.422 0.000 1.082 260 R CA -0.766 54.915 56.100 -0.698 0.000 0.927 260 R CB 0.712 30.862 30.300 -0.249 0.000 1.258 260 R HN 0.318 nan 8.270 nan 0.000 0.459 261 Y N 1.550 121.806 120.300 -0.074 0.000 2.301 261 Y HA 0.640 5.190 4.550 0.000 0.000 0.325 261 Y C 0.939 176.849 175.900 0.016 0.000 1.203 261 Y CA -0.217 57.902 58.100 0.031 0.000 1.255 261 Y CB 1.326 39.901 38.460 0.193 0.000 1.232 261 Y HN 0.732 nan 8.280 nan 0.000 0.501 262 A N 1.387 124.292 122.820 0.141 0.000 2.351 262 A HA 0.650 4.970 4.320 0.000 0.000 0.257 262 A C 0.454 177.875 177.584 -0.272 0.000 1.087 262 A CA 0.213 52.159 52.037 -0.151 0.000 0.798 262 A CB -0.127 18.719 19.000 -0.257 0.000 1.033 262 A HN 0.921 nan 8.150 nan 0.000 0.488 263 G N 0.146 108.698 108.800 -0.413 0.000 2.683 263 G HA2 0.580 4.540 3.960 0.000 0.000 0.299 263 G HA3 0.580 4.540 3.960 0.000 0.000 0.299 263 G C -1.298 173.386 174.900 -0.359 0.000 1.432 263 G CA -0.286 44.641 45.100 -0.288 0.000 0.978 263 G HN 0.531 nan 8.290 nan 0.000 0.513 264 Y N 0.159 120.510 120.300 0.085 0.000 2.429 264 Y HA 0.515 5.066 4.550 0.000 0.000 0.342 264 Y C 0.423 176.385 175.900 0.103 0.000 1.004 264 Y CA -1.078 57.097 58.100 0.125 0.000 1.075 264 Y CB 2.462 41.064 38.460 0.236 0.000 1.214 264 Y HN 0.491 nan 8.280 nan 0.000 0.455 265 Q N 3.802 123.750 119.800 0.247 0.000 2.441 265 Q HA 0.304 4.644 4.340 0.000 0.000 0.234 265 Q C -0.642 175.440 176.000 0.136 0.000 1.078 265 Q CA -0.695 55.195 55.803 0.145 0.000 0.907 265 Q CB 0.371 29.166 28.738 0.095 0.000 1.269 265 Q HN 0.564 nan 8.270 nan 0.000 0.502 266 M N 4.305 123.969 119.600 0.106 0.000 2.198 266 M HA 0.028 4.508 4.480 0.000 0.000 0.292 266 M C -1.396 174.901 176.300 -0.004 0.000 1.150 266 M CA -1.661 53.655 55.300 0.026 0.000 1.168 266 M CB -0.616 31.983 32.600 -0.002 0.000 1.388 266 M HN 0.483 nan 8.290 nan 0.000 0.447 267 P HA -0.140 nan 4.420 nan 0.000 0.217 267 P C 0.397 177.680 177.300 -0.029 0.000 1.151 267 P CA 1.377 64.451 63.100 -0.043 0.000 0.828 267 P CB -0.271 31.384 31.700 -0.074 0.000 0.788 268 D N -0.711 119.669 120.400 -0.032 0.000 2.348 268 D HA -0.004 4.636 4.640 0.000 0.000 0.248 268 D C 1.439 177.733 176.300 -0.010 0.000 1.142 268 D CA 0.803 54.789 54.000 -0.022 0.000 0.904 268 D CB -0.918 39.866 40.800 -0.026 0.000 0.901 268 D HN 0.301 nan 8.370 nan 0.000 0.523 269 G N 0.841 109.639 108.800 -0.003 0.000 2.396 269 G HA2 -0.365 3.595 3.960 0.000 0.000 0.242 269 G HA3 -0.365 3.595 3.960 0.000 0.000 0.242 269 G C 0.705 175.612 174.900 0.013 0.000 1.069 269 G CA 0.768 45.872 45.100 0.006 0.000 0.633 269 G HN 0.772 nan 8.290 nan 0.000 0.517 270 T N 0.048 114.608 114.554 0.009 0.000 2.855 270 T HA 0.541 4.891 4.350 0.000 0.000 0.314 270 T C 0.554 175.270 174.700 0.027 0.000 1.077 270 T CA 0.120 62.228 62.100 0.012 0.000 1.095 270 T CB 1.386 70.257 68.868 0.005 0.000 0.987 270 T HN 0.640 nan 8.240 nan 0.000 0.546 271 I N 1.485 122.069 120.570 0.023 0.000 2.377 271 I HA 0.445 4.615 4.170 0.000 0.000 0.293 271 I C 0.733 176.865 176.117 0.025 0.000 0.987 271 I CA -0.926 60.396 61.300 0.036 0.000 1.185 271 I CB 1.669 39.678 38.000 0.015 0.000 1.341 271 I HN 0.561 nan 8.210 nan 0.000 0.455 272 R N 3.250 123.802 120.500 0.086 0.000 2.532 272 R HA 0.639 4.979 4.340 0.000 0.000 0.295 272 R C 0.415 176.737 176.300 0.037 0.000 0.968 272 R CA 0.446 56.595 56.100 0.082 0.000 0.916 272 R CB 1.758 32.176 30.300 0.196 0.000 1.124 272 R HN 0.925 nan 8.270 nan 0.000 0.463 273 G N 2.387 111.120 108.800 -0.112 0.000 2.509 273 G HA2 -0.285 3.675 3.960 0.000 0.000 0.259 273 G HA3 -0.285 3.675 3.960 0.000 0.000 0.259 273 G C -0.780 173.842 174.900 -0.463 0.000 1.169 273 G CA 0.091 45.063 45.100 -0.214 0.000 0.953 273 G HN 0.611 nan 8.290 nan 0.000 0.563 274 D N 2.022 122.320 120.400 -0.169 0.000 2.441 274 D HA 0.589 5.229 4.640 0.000 0.000 0.221 274 D C 1.526 177.807 176.300 -0.031 0.000 1.156 274 D CA 0.786 54.742 54.000 -0.074 0.000 0.896 274 D CB 0.653 41.671 40.800 0.363 0.000 1.028 274 D HN 0.833 nan 8.370 nan 0.000 0.509 275 A N 3.628 126.401 122.820 -0.079 0.000 1.986 275 A HA -0.174 4.146 4.320 0.000 0.000 0.220 275 A C 2.061 179.679 177.584 0.056 0.000 1.171 275 A CA 1.801 53.833 52.037 -0.007 0.000 0.640 275 A CB -0.249 18.748 19.000 -0.005 0.000 0.811 275 A HN 0.594 nan 8.150 nan 0.000 0.451 276 A N -0.511 122.373 122.820 0.107 0.000 2.125 276 A HA 0.037 4.357 4.320 0.000 0.000 0.219 276 A C 1.762 179.423 177.584 0.129 0.000 1.156 276 A CA 1.851 53.973 52.037 0.143 0.000 0.671 276 A CB -0.818 18.298 19.000 0.194 0.000 0.794 276 A HN 0.861 nan 8.150 nan 0.000 0.459 277 T N -3.438 111.181 114.554 0.108 0.000 3.308 277 T HA 0.522 4.872 4.350 0.000 0.000 0.270 277 T C 0.976 175.706 174.700 0.049 0.000 0.992 277 T CA -0.270 61.890 62.100 0.101 0.000 0.931 277 T CB -0.204 68.737 68.868 0.121 0.000 1.142 277 T HN 0.181 nan 8.240 nan 0.000 0.525 278 L N 0.466 121.709 121.223 0.035 0.000 2.044 278 L HA 0.028 4.368 4.340 0.000 0.000 0.205 278 L C 2.819 179.688 176.870 -0.001 0.000 1.075 278 L CA 1.532 56.376 54.840 0.007 0.000 0.747 278 L CB -0.271 41.803 42.059 0.024 0.000 0.903 278 L HN 0.395 nan 8.230 nan 0.000 0.435 279 E N -0.416 119.789 120.200 0.008 0.000 2.031 279 E HA -0.268 4.082 4.350 0.000 0.000 0.193 279 E C 2.047 178.590 176.600 -0.095 0.000 0.994 279 E CA 1.467 57.840 56.400 -0.045 0.000 0.800 279 E CB -0.262 29.409 29.700 -0.049 0.000 0.752 279 E HN 0.294 nan 8.360 nan 0.000 0.447 280 F N 1.991 121.792 119.950 -0.247 0.000 2.161 280 F HA -0.216 4.311 4.527 0.000 0.000 0.300 280 F C 2.331 178.008 175.800 -0.204 0.000 1.089 280 F CA 1.621 59.444 58.000 -0.295 0.000 1.282 280 F CB -0.473 38.401 39.000 -0.210 0.000 1.010 280 F HN -0.093 nan 8.300 nan 0.000 0.485 281 T N -0.323 114.149 114.554 -0.136 0.000 2.708 281 T HA -0.277 4.073 4.350 0.000 0.000 0.266 281 T C 1.772 176.379 174.700 -0.156 0.000 1.037 281 T CA 1.686 63.649 62.100 -0.229 0.000 1.146 281 T CB -0.390 68.356 68.868 -0.203 0.000 0.865 281 T HN 0.225 nan 8.240 nan 0.000 0.435 282 Q N 0.792 120.536 119.800 -0.094 0.000 2.096 282 Q HA -0.076 4.264 4.340 0.000 0.000 0.204 282 Q C 2.116 178.056 176.000 -0.099 0.000 0.982 282 Q CA 1.291 57.067 55.803 -0.045 0.000 0.850 282 Q CB -0.841 27.878 28.738 -0.031 0.000 0.901 282 Q HN 0.437 nan 8.270 nan 0.000 0.422 283 L N -0.427 120.675 121.223 -0.201 0.000 2.127 283 L HA -0.182 4.158 4.340 0.000 0.000 0.211 283 L C 2.068 178.802 176.870 -0.228 0.000 1.089 283 L CA 1.786 56.498 54.840 -0.214 0.000 0.757 283 L CB -0.801 41.074 42.059 -0.307 0.000 0.899 283 L HN 0.392 nan 8.230 nan 0.000 0.434 284 C N -0.752 118.334 119.300 -0.357 0.000 2.466 284 C HA -0.076 4.384 4.460 0.000 0.000 0.278 284 C C 2.672 177.682 174.990 0.034 0.000 1.288 284 C CA 0.254 59.100 59.018 -0.287 0.000 1.722 284 C CB -0.811 26.597 27.740 -0.554 0.000 2.017 284 C HN 0.545 nan 8.230 nan 0.000 0.488 285 I N 1.551 122.188 120.570 0.110 0.000 2.208 285 I HA -0.163 4.007 4.170 0.000 0.000 0.245 285 I C 2.091 178.233 176.117 0.041 0.000 1.097 285 I CA 1.835 63.215 61.300 0.133 0.000 1.363 285 I CB -1.512 36.548 38.000 0.101 0.000 1.051 285 I HN 0.342 nan 8.210 nan 0.000 0.413 286 D N 0.943 121.342 120.400 -0.002 0.000 2.149 286 D HA -0.127 4.513 4.640 0.000 0.000 0.198 286 D C 2.076 178.366 176.300 -0.017 0.000 0.990 286 D CA 0.997 54.984 54.000 -0.022 0.000 0.839 286 D CB -0.202 40.571 40.800 -0.045 0.000 0.948 286 D HN 0.317 nan 8.370 nan 0.000 0.460 287 L N -0.394 120.822 121.223 -0.013 0.000 2.645 287 L HA 0.194 4.534 4.340 0.000 0.000 0.235 287 L C 1.031 177.892 176.870 -0.016 0.000 1.150 287 L CA 0.178 55.011 54.840 -0.012 0.000 0.911 287 L CB -0.367 41.662 42.059 -0.050 0.000 1.077 287 L HN 0.094 nan 8.230 nan 0.000 0.438 288 G N -0.522 108.282 108.800 0.005 0.000 2.203 288 G HA2 -0.287 3.673 3.960 0.000 0.000 0.231 288 G HA3 -0.287 3.673 3.960 0.000 0.000 0.231 288 G C -0.488 174.435 174.900 0.038 0.000 1.058 288 G CA -0.341 44.758 45.100 -0.002 0.000 0.781 288 G HN 0.404 nan 8.290 nan 0.000 0.496 289 W N 1.805 123.036 121.300 -0.115 0.000 2.417 289 W HA 0.683 5.343 4.660 0.000 0.000 0.317 289 W C 0.301 176.767 176.519 -0.088 0.000 1.121 289 W CA -1.535 55.743 57.345 -0.112 0.000 1.208 289 W CB 0.822 30.205 29.460 -0.129 0.000 1.253 289 W HN 0.022 nan 8.180 nan 0.000 0.533 290 K N 8.271 128.180 120.400 -0.818 0.000 2.315 290 K HA 0.140 4.460 4.320 0.000 0.000 0.291 290 K C -2.272 173.509 176.600 -1.365 0.000 1.074 290 K CA -1.482 54.327 56.287 -0.796 0.000 0.936 290 K CB 0.148 32.343 32.500 -0.509 0.000 1.049 290 K HN 0.331 nan 8.250 nan 0.000 0.471 291 P HA 0.139 nan 4.420 nan 0.000 0.271 291 P C -0.224 176.543 177.300 -0.889 0.000 1.226 291 P CA -0.148 62.278 63.100 -1.123 0.000 0.765 291 P CB 0.674 31.838 31.700 -0.893 0.000 0.835 292 R N 1.771 121.901 120.500 -0.618 0.000 2.334 292 R HA 0.125 4.466 4.340 0.000 0.000 0.216 292 R C -0.114 176.031 176.300 -0.258 0.000 0.905 292 R CA -0.267 55.653 56.100 -0.300 0.000 1.064 292 R CB -0.668 29.587 30.300 -0.075 0.000 1.046 292 R HN 0.393 nan 8.270 nan 0.000 0.508 293 Y N -0.213 119.674 120.300 -0.689 0.000 2.976 293 Y HA -0.258 4.292 4.550 0.000 0.000 0.184 293 Y C 0.693 176.410 175.900 -0.304 0.000 1.493 293 Y CA 0.789 58.331 58.100 -0.930 0.000 0.851 293 Y CB -1.574 36.524 38.460 -0.603 0.000 1.355 293 Y HN 0.271 nan 8.280 nan 0.000 0.382 294 G N 0.118 108.990 108.800 0.119 0.000 2.725 294 G HA2 0.573 4.533 3.960 0.000 0.000 0.288 294 G HA3 0.573 4.533 3.960 0.000 0.000 0.288 294 G C 0.238 175.221 174.900 0.138 0.000 1.399 294 G CA -1.092 44.093 45.100 0.142 0.000 0.859 294 G HN 0.215 nan 8.290 nan 0.000 0.479 295 R N -1.264 119.195 120.500 -0.068 0.000 2.193 295 R HA 0.114 4.454 4.340 0.000 0.000 0.213 295 R C -0.095 175.707 176.300 -0.830 0.000 1.055 295 R CA 0.977 56.818 56.100 -0.431 0.000 0.995 295 R CB -0.045 29.870 30.300 -0.642 0.000 0.893 295 R HN 0.344 nan 8.270 nan 0.000 0.459 296 F N 0.623 120.527 119.950 -0.076 0.000 2.566 296 F HA 0.245 4.772 4.527 0.000 0.000 0.347 296 F C -0.893 174.828 175.800 -0.131 0.000 1.515 296 F CA -1.218 56.467 58.000 -0.526 0.000 1.103 296 F CB 0.647 39.194 39.000 -0.755 0.000 1.385 296 F HN -0.295 nan 8.300 nan 0.000 0.560 297 D N 1.674 122.228 120.400 0.257 0.000 2.313 297 D HA 0.214 4.854 4.640 0.000 0.000 0.239 297 D C 0.283 176.846 176.300 0.439 0.000 1.142 297 D CA 0.007 54.233 54.000 0.376 0.000 0.847 297 D CB 2.564 43.646 40.800 0.471 0.000 1.082 297 D HN -0.045 nan 8.370 nan 0.000 0.480 298 V N 3.486 123.634 119.914 0.390 0.000 2.599 298 V HA -0.034 4.086 4.120 0.000 0.000 0.300 298 V C 1.056 177.193 176.094 0.072 0.000 1.034 298 V CA -0.164 62.259 62.300 0.204 0.000 1.115 298 V CB 0.358 32.242 31.823 0.102 0.000 0.934 298 V HN 0.353 nan 8.190 nan 0.000 0.485 299 L N 8.046 129.208 121.223 -0.101 0.000 2.452 299 L HA 0.299 4.639 4.340 0.000 0.000 0.267 299 L C -1.697 174.978 176.870 -0.325 0.000 1.188 299 L CA -1.299 53.336 54.840 -0.342 0.000 0.821 299 L CB 0.687 42.626 42.059 -0.200 0.000 1.102 299 L HN 0.499 nan 8.230 nan 0.000 0.470 300 P HA 0.108 nan 4.420 nan 0.000 0.276 300 P C -0.967 176.260 177.300 -0.123 0.000 1.244 300 P CA -0.662 62.228 63.100 -0.351 0.000 0.801 300 P CB 1.100 32.426 31.700 -0.623 0.000 1.006 301 L N 2.250 123.490 121.223 0.028 0.000 2.319 301 L HA 0.164 4.504 4.340 0.000 0.000 0.280 301 L C -0.006 176.943 176.870 0.133 0.000 1.099 301 L CA -0.096 54.822 54.840 0.131 0.000 0.828 301 L CB 0.697 42.894 42.059 0.229 0.000 1.150 301 L HN 0.102 nan 8.230 nan 0.000 0.442 302 V N 6.586 126.593 119.914 0.156 0.000 2.275 302 V HA 0.394 4.514 4.120 0.000 0.000 0.272 302 V C -0.013 176.114 176.094 0.055 0.000 1.028 302 V CA -0.548 61.792 62.300 0.066 0.000 0.810 302 V CB 0.857 32.755 31.823 0.126 0.000 1.043 302 V HN 0.473 nan 8.190 nan 0.000 0.453 303 L N 5.344 126.591 121.223 0.041 0.000 2.329 303 L HA 0.725 5.065 4.340 0.000 0.000 0.279 303 L C -0.223 176.563 176.870 -0.140 0.000 1.014 303 L CA -0.720 54.117 54.840 -0.005 0.000 0.814 303 L CB 1.904 43.974 42.059 0.017 0.000 1.257 303 L HN 0.746 nan 8.230 nan 0.000 0.424 304 Q N 2.147 121.846 119.800 -0.168 0.000 2.309 304 Q HA 0.791 5.131 4.340 0.000 0.000 0.270 304 Q C -1.274 174.573 176.000 -0.255 0.000 1.023 304 Q CA -0.618 55.045 55.803 -0.234 0.000 0.758 304 Q CB 2.194 30.789 28.738 -0.238 0.000 1.247 304 Q HN 0.662 nan 8.270 nan 0.000 0.455 305 A N 2.651 125.256 122.820 -0.359 0.000 2.312 305 A HA 0.631 4.951 4.320 0.000 0.000 0.328 305 A C 0.166 177.225 177.584 -0.875 0.000 1.158 305 A CA 0.343 51.917 52.037 -0.772 0.000 0.821 305 A CB 0.778 19.500 19.000 -0.464 0.000 1.170 305 A HN 1.052 nan 8.150 nan 0.000 0.490 306 D N 0.457 119.851 120.400 -1.676 0.000 4.539 306 D HA -0.259 4.381 4.640 0.000 0.000 0.229 306 D C 1.131 177.279 176.300 -0.253 0.000 0.808 306 D CA 4.213 57.769 54.000 -0.740 0.000 1.904 306 D CB -1.335 39.242 40.800 -0.371 0.000 1.096 306 D HN 1.229 nan 8.370 nan 0.000 0.404 307 G N -1.907 106.812 108.800 -0.136 0.000 2.524 307 G HA2 0.170 4.130 3.960 0.000 0.000 0.165 307 G HA3 0.170 4.130 3.960 0.000 0.000 0.165 307 G C -0.252 174.660 174.900 0.020 0.000 1.427 307 G CA 0.272 45.397 45.100 0.042 0.000 0.794 307 G HN 0.340 nan 8.290 nan 0.000 1.024 308 Q N 2.041 121.806 119.800 -0.058 0.000 2.427 308 Q HA 0.133 4.473 4.340 0.000 0.000 0.310 308 Q C 0.093 176.035 176.000 -0.097 0.000 1.167 308 Q CA 0.483 56.243 55.803 -0.072 0.000 0.991 308 Q CB 0.386 29.058 28.738 -0.110 0.000 1.287 308 Q HN 0.330 nan 8.270 nan 0.000 0.443 309 D N 2.138 122.452 120.400 -0.143 0.000 2.378 309 D HA 0.083 4.723 4.640 0.000 0.000 0.238 309 D C -2.080 173.934 176.300 -0.477 0.000 1.180 309 D CA -0.801 52.984 54.000 -0.359 0.000 0.895 309 D CB -0.036 40.539 40.800 -0.376 0.000 1.192 309 D HN 0.331 nan 8.370 nan 0.000 0.438 310 P HA 0.115 nan 4.420 nan 0.000 0.276 310 P C -0.565 176.459 177.300 -0.460 0.000 1.230 310 P CA -0.007 62.636 63.100 -0.763 0.000 0.776 310 P CB 1.072 31.857 31.700 -1.525 0.000 0.888 311 E N 1.109 121.136 120.200 -0.288 0.000 2.222 311 E HA 0.386 4.736 4.350 0.000 0.000 0.272 311 E C -0.581 175.797 176.600 -0.370 0.000 0.982 311 E CA -1.163 55.051 56.400 -0.309 0.000 0.842 311 E CB 1.666 31.199 29.700 -0.278 0.000 1.144 311 E HN 0.200 nan 8.360 nan 0.000 0.397 312 V N 3.305 122.902 119.914 -0.529 0.000 2.394 312 V HA 0.342 4.462 4.120 0.000 0.000 0.282 312 V C -0.826 174.839 176.094 -0.715 0.000 1.031 312 V CA -0.454 61.592 62.300 -0.424 0.000 0.881 312 V CB 0.226 31.902 31.823 -0.245 0.000 0.982 312 V HN 0.489 nan 8.190 nan 0.000 0.451 313 F N 2.193 121.971 119.950 -0.287 0.000 2.507 313 F HA 0.450 4.977 4.527 0.000 0.000 0.328 313 F C 0.279 175.928 175.800 -0.253 0.000 1.136 313 F CA -0.638 57.062 58.000 -0.500 0.000 0.930 313 F CB 1.650 39.980 39.000 -1.116 0.000 1.166 313 F HN 0.435 nan 8.300 nan 0.000 0.436 314 E N 3.603 123.812 120.200 0.016 0.000 2.290 314 E HA 0.346 4.696 4.350 0.000 0.000 0.277 314 E C -0.446 176.303 176.600 0.249 0.000 1.035 314 E CA -0.352 56.139 56.400 0.152 0.000 0.873 314 E CB 0.779 30.598 29.700 0.198 0.000 1.029 314 E HN 0.488 nan 8.360 nan 0.000 0.419 315 I N 6.816 127.535 120.570 0.248 0.000 2.533 315 I HA 0.090 4.260 4.170 0.000 0.000 0.284 315 I C -1.911 174.335 176.117 0.216 0.000 1.109 315 I CA -1.939 59.529 61.300 0.279 0.000 1.412 315 I CB 0.501 38.597 38.000 0.162 0.000 1.396 315 I HN 0.394 nan 8.210 nan 0.000 0.543 316 P HA 0.050 nan 4.420 nan 0.000 0.260 316 P C -2.000 175.361 177.300 0.102 0.000 1.207 316 P CA -0.809 62.378 63.100 0.145 0.000 0.780 316 P CB 0.093 31.858 31.700 0.107 0.000 0.789 317 P HA -0.241 nan 4.420 nan 0.000 0.218 317 P C 0.812 178.151 177.300 0.065 0.000 1.150 317 P CA 1.461 64.614 63.100 0.088 0.000 0.841 317 P CB -0.065 31.689 31.700 0.090 0.000 0.784 318 D N -1.269 119.163 120.400 0.055 0.000 2.309 318 D HA -0.072 4.568 4.640 0.000 0.000 0.212 318 D C 1.746 178.065 176.300 0.033 0.000 0.968 318 D CA 0.847 54.870 54.000 0.039 0.000 0.882 318 D CB -0.126 40.693 40.800 0.031 0.000 0.918 318 D HN 0.294 nan 8.370 nan 0.000 0.503 319 L N 0.442 121.687 121.223 0.037 0.000 2.375 319 L HA 0.042 4.382 4.340 0.000 0.000 0.215 319 L C 0.584 177.475 176.870 0.036 0.000 1.108 319 L CA 0.203 55.060 54.840 0.029 0.000 0.830 319 L CB 0.467 42.537 42.059 0.018 0.000 0.959 319 L HN -0.214 nan 8.230 nan 0.000 0.457 320 V N 2.111 122.051 119.914 0.044 0.000 2.353 320 V HA 0.146 4.266 4.120 0.000 0.000 0.264 320 V C -0.029 176.098 176.094 0.054 0.000 1.049 320 V CA -0.465 61.862 62.300 0.045 0.000 0.896 320 V CB 1.326 33.174 31.823 0.042 0.000 1.025 320 V HN 0.034 nan 8.190 nan 0.000 0.475 321 L N 6.097 127.354 121.223 0.056 0.000 2.290 321 L HA 0.531 4.871 4.340 0.000 0.000 0.284 321 L C 0.066 176.960 176.870 0.041 0.000 1.078 321 L CA 0.571 55.433 54.840 0.036 0.000 0.815 321 L CB 0.773 42.847 42.059 0.025 0.000 1.162 321 L HN 0.692 nan 8.230 nan 0.000 0.435 322 E N 3.497 123.701 120.200 0.006 0.000 2.277 322 E HA 0.583 4.933 4.350 0.000 0.000 0.266 322 E C -1.423 175.102 176.600 -0.125 0.000 0.901 322 E CA -1.054 55.339 56.400 -0.013 0.000 0.782 322 E CB 2.555 32.280 29.700 0.042 0.000 1.228 322 E HN 0.375 nan 8.360 nan 0.000 0.424 323 V N 1.837 121.623 119.914 -0.213 0.000 2.448 323 V HA 0.260 4.380 4.120 0.000 0.000 0.295 323 V C -0.115 175.888 176.094 -0.152 0.000 1.025 323 V CA -0.761 61.346 62.300 -0.321 0.000 0.859 323 V CB 1.587 32.916 31.823 -0.823 0.000 0.988 323 V HN 0.823 nan 8.190 nan 0.000 0.431 324 T N 3.791 118.285 114.554 -0.101 0.000 2.780 324 T HA 0.520 4.870 4.350 0.000 0.000 0.294 324 T C -0.105 174.613 174.700 0.029 0.000 0.949 324 T CA -0.814 61.268 62.100 -0.030 0.000 1.074 324 T CB 0.770 69.627 68.868 -0.019 0.000 0.910 324 T HN 0.307 nan 8.240 nan 0.000 0.501 325 M N 4.005 123.676 119.600 0.118 0.000 2.188 325 M HA 0.322 4.802 4.480 0.000 0.000 0.354 325 M C 0.430 176.900 176.300 0.283 0.000 1.342 325 M CA 0.019 55.456 55.300 0.229 0.000 1.117 325 M CB -0.329 32.524 32.600 0.421 0.000 1.670 325 M HN 0.954 nan 8.290 nan 0.000 0.466 326 E N 1.405 121.723 120.200 0.198 0.000 2.372 326 E HA 0.399 4.749 4.350 0.000 0.000 0.279 326 E C -1.366 175.254 176.600 0.033 0.000 0.946 326 E CA -0.892 55.635 56.400 0.211 0.000 0.769 326 E CB 1.923 31.723 29.700 0.167 0.000 1.230 326 E HN 0.633 nan 8.360 nan 0.000 0.442 327 H N 2.896 121.870 119.070 -0.160 0.000 2.473 327 H HA 0.218 4.774 4.556 0.000 0.000 0.327 327 H C -1.674 173.486 175.328 -0.281 0.000 1.105 327 H CA -2.204 53.631 56.048 -0.354 0.000 1.280 327 H CB 1.917 31.385 29.762 -0.490 0.000 1.450 327 H HN 0.449 nan 8.280 nan 0.000 0.492 328 P HA -0.120 nan 4.420 nan 0.000 0.225 328 P C 0.474 177.717 177.300 -0.096 0.000 1.148 328 P CA 1.155 63.865 63.100 -0.650 0.000 0.779 328 P CB 0.769 31.911 31.700 -0.929 0.000 0.780 329 K N -1.748 118.847 120.400 0.325 0.000 2.412 329 K HA 0.125 4.445 4.320 0.000 0.000 0.201 329 K C 0.512 177.212 176.600 0.165 0.000 1.275 329 K CA 0.370 56.814 56.287 0.261 0.000 0.910 329 K CB -0.331 32.365 32.500 0.327 0.000 1.346 329 K HN 0.122 nan 8.250 nan 0.000 0.490 330 Y N 3.366 123.555 120.300 -0.185 0.000 2.539 330 Y HA 0.115 4.665 4.550 0.000 0.000 0.352 330 Y C 1.389 177.020 175.900 -0.449 0.000 1.004 330 Y CA -0.459 57.334 58.100 -0.512 0.000 1.278 330 Y CB 0.503 38.285 38.460 -1.130 0.000 1.136 330 Y HN -0.010 nan 8.280 nan 0.000 0.528 331 E N 3.250 123.384 120.200 -0.109 0.000 2.274 331 E HA -0.146 4.204 4.350 0.000 0.000 0.194 331 E C 1.728 178.353 176.600 0.041 0.000 0.996 331 E CA 0.598 56.999 56.400 0.000 0.000 0.840 331 E CB -0.143 29.597 29.700 0.066 0.000 0.772 331 E HN 0.901 nan 8.360 nan 0.000 0.491 332 W N -0.681 120.713 121.300 0.156 0.000 2.699 332 W HA 0.013 4.673 4.660 0.000 0.000 0.249 332 W C 1.444 178.026 176.519 0.106 0.000 1.280 332 W CA -0.282 57.127 57.345 0.106 0.000 1.345 332 W CB -1.182 28.322 29.460 0.073 0.000 1.128 332 W HN -0.092 nan 8.180 nan 0.000 0.642 333 F N 2.459 122.154 119.950 -0.425 0.000 2.134 333 F HA -0.222 4.305 4.527 0.000 0.000 0.299 333 F C 2.981 178.763 175.800 -0.030 0.000 1.097 333 F CA 2.689 60.500 58.000 -0.314 0.000 1.264 333 F CB -0.538 38.212 39.000 -0.417 0.000 1.001 333 F HN -0.110 nan 8.300 nan 0.000 0.479 334 Q N 0.256 120.158 119.800 0.169 0.000 2.135 334 Q HA -0.253 4.088 4.340 0.000 0.000 0.204 334 Q C 1.913 177.959 176.000 0.076 0.000 0.981 334 Q CA 1.896 57.782 55.803 0.139 0.000 0.856 334 Q CB -0.198 28.613 28.738 0.123 0.000 0.902 334 Q HN 0.517 nan 8.270 nan 0.000 0.425 335 E N -0.199 120.056 120.200 0.091 0.000 2.331 335 E HA -0.185 4.165 4.350 0.000 0.000 0.199 335 E C 1.505 178.132 176.600 0.046 0.000 1.008 335 E CA 0.350 56.804 56.400 0.089 0.000 0.843 335 E CB 0.092 29.879 29.700 0.145 0.000 0.761 335 E HN 0.257 nan 8.360 nan 0.000 0.507 336 L N -0.307 120.898 121.223 -0.030 0.000 2.376 336 L HA 0.021 4.361 4.340 0.000 0.000 0.219 336 L C 1.453 178.310 176.870 -0.021 0.000 1.133 336 L CA 1.357 56.142 54.840 -0.092 0.000 0.816 336 L CB -0.750 41.101 42.059 -0.347 0.000 0.933 336 L HN 0.225 nan 8.230 nan 0.000 0.449 337 G N -0.038 108.772 108.800 0.018 0.000 2.273 337 G HA2 -0.287 3.673 3.960 0.000 0.000 0.280 337 G HA3 -0.287 3.673 3.960 0.000 0.000 0.280 337 G C 0.190 175.162 174.900 0.120 0.000 1.047 337 G CA 0.347 45.495 45.100 0.080 0.000 0.869 337 G HN 0.298 nan 8.290 nan 0.000 0.502 338 L N -0.639 120.598 121.223 0.023 0.000 2.360 338 L HA 0.825 5.165 4.340 0.000 0.000 0.271 338 L C 0.586 177.401 176.870 -0.091 0.000 1.057 338 L CA -0.642 54.178 54.840 -0.033 0.000 0.803 338 L CB 1.795 43.724 42.059 -0.216 0.000 1.207 338 L HN 0.533 nan 8.230 nan 0.000 0.445 339 K N 0.906 121.133 120.400 -0.289 0.000 2.615 339 K HA 0.481 4.801 4.320 0.000 0.000 0.291 339 K C -2.087 174.541 176.600 0.046 0.000 1.017 339 K CA -1.053 55.142 56.287 -0.153 0.000 0.882 339 K CB 2.140 34.454 32.500 -0.309 0.000 1.522 339 K HN 0.569 nan 8.250 nan 0.000 0.412 340 W N 2.039 123.285 121.300 -0.090 0.000 3.118 340 W HA 0.354 5.014 4.660 0.000 0.000 0.328 340 W C -1.236 175.267 176.519 -0.026 0.000 1.239 340 W CA -0.827 56.503 57.345 -0.025 0.000 1.176 340 W CB 1.648 30.947 29.460 -0.267 0.000 1.433 340 W HN 0.695 nan 8.180 nan 0.000 0.562 341 Y N 0.983 121.134 120.300 -0.249 0.000 2.326 341 Y HA 0.516 5.066 4.550 0.000 0.000 0.333 341 Y C 0.768 176.795 175.900 0.211 0.000 1.240 341 Y CA 0.001 58.043 58.100 -0.097 0.000 1.365 341 Y CB 0.159 38.445 38.460 -0.290 0.000 1.289 341 Y HN 0.342 nan 8.280 nan 0.000 0.548 342 A N 2.348 125.345 122.820 0.295 0.000 2.132 342 A HA 0.136 4.456 4.320 0.000 0.000 0.213 342 A C 0.352 178.243 177.584 0.512 0.000 1.154 342 A CA 0.133 52.405 52.037 0.392 0.000 0.753 342 A CB -0.239 18.861 19.000 0.167 0.000 0.826 342 A HN 0.668 nan 8.150 nan 0.000 0.469 343 L N 1.948 123.445 121.223 0.456 0.000 2.277 343 L HA 0.441 4.781 4.340 0.000 0.000 0.284 343 L C -2.631 174.428 176.870 0.314 0.000 1.028 343 L CA -2.138 52.902 54.840 0.333 0.000 0.835 343 L CB 1.659 43.842 42.059 0.206 0.000 1.215 343 L HN -0.057 nan 8.230 nan 0.000 0.425 344 P HA 0.416 nan 4.420 nan 0.000 0.291 344 P C -1.515 175.715 177.300 -0.116 0.000 1.378 344 P CA -0.324 62.682 63.100 -0.158 0.000 0.853 344 P CB 1.439 32.646 31.700 -0.821 0.000 1.002 345 A N 4.115 126.881 122.820 -0.090 0.000 2.359 345 A HA 0.499 4.819 4.320 0.000 0.000 0.303 345 A C -0.538 176.881 177.584 -0.275 0.000 1.066 345 A CA -0.704 51.224 52.037 -0.182 0.000 0.730 345 A CB 1.443 20.344 19.000 -0.166 0.000 1.211 345 A HN 0.287 nan 8.150 nan 0.000 0.439 346 V N 2.285 121.916 119.914 -0.472 0.000 2.530 346 V HA 0.418 4.538 4.120 0.000 0.000 0.282 346 V C 1.203 176.941 176.094 -0.593 0.000 1.048 346 V CA 0.884 62.850 62.300 -0.556 0.000 0.997 346 V CB 1.192 32.552 31.823 -0.773 0.000 0.987 346 V HN 1.167 nan 8.190 nan 0.000 0.477 347 A N 4.077 126.692 122.820 -0.341 0.000 2.167 347 A HA 0.099 4.419 4.320 0.000 0.000 0.208 347 A C 1.307 178.812 177.584 -0.131 0.000 1.198 347 A CA 0.511 52.415 52.037 -0.221 0.000 0.863 347 A CB -0.098 18.827 19.000 -0.125 0.000 0.904 347 A HN 0.915 nan 8.150 nan 0.000 0.484 348 N N -1.229 117.394 118.700 -0.127 0.000 2.234 348 N HA 0.277 5.017 4.740 0.000 0.000 0.227 348 N C 0.132 175.650 175.510 0.013 0.000 1.151 348 N CA -0.242 52.780 53.050 -0.048 0.000 0.865 348 N CB 0.193 38.640 38.487 -0.068 0.000 1.066 348 N HN 0.308 nan 8.380 nan 0.000 0.515 349 M N 1.126 120.736 119.600 0.018 0.000 2.371 349 M HA 0.369 4.850 4.480 0.000 0.000 0.301 349 M C -0.558 175.888 176.300 0.243 0.000 1.173 349 M CA -0.769 54.629 55.300 0.163 0.000 1.020 349 M CB 2.030 34.757 32.600 0.210 0.000 1.490 349 M HN 0.110 nan 8.290 nan 0.000 0.485 350 L N 2.180 123.590 121.223 0.311 0.000 2.341 350 L HA 0.541 4.881 4.340 0.000 0.000 0.278 350 L C -1.502 175.602 176.870 0.390 0.000 1.005 350 L CA -1.055 53.981 54.840 0.327 0.000 0.818 350 L CB 1.472 43.682 42.059 0.252 0.000 1.259 350 L HN 0.563 nan 8.230 nan 0.000 0.418 351 L N 5.022 126.472 121.223 0.378 0.000 2.265 351 L HA 0.459 4.799 4.340 0.000 0.000 0.288 351 L C -0.416 176.617 176.870 0.273 0.000 1.058 351 L CA 0.375 55.349 54.840 0.224 0.000 0.809 351 L CB 1.059 43.216 42.059 0.164 0.000 1.179 351 L HN 0.634 nan 8.230 nan 0.000 0.429 352 E N 4.937 125.241 120.200 0.173 0.000 2.151 352 E HA 0.510 4.860 4.350 0.000 0.000 0.275 352 E C -1.900 174.719 176.600 0.031 0.000 0.936 352 E CA -0.417 56.075 56.400 0.153 0.000 0.777 352 E CB 1.884 31.736 29.700 0.255 0.000 1.108 352 E HN 0.539 nan 8.360 nan 0.000 0.401 353 V N 3.189 123.099 119.914 -0.007 0.000 2.817 353 V HA 0.493 4.613 4.120 0.000 0.000 0.303 353 V C 0.319 176.322 176.094 -0.152 0.000 1.151 353 V CA 0.411 62.598 62.300 -0.188 0.000 0.929 353 V CB 1.507 33.115 31.823 -0.358 0.000 1.030 353 V HN 0.877 nan 8.190 nan 0.000 0.427 354 G N 4.352 113.091 108.800 -0.101 0.000 2.422 354 G HA2 0.066 4.026 3.960 0.000 0.000 0.301 354 G HA3 0.066 4.026 3.960 0.000 0.000 0.301 354 G C 1.598 176.660 174.900 0.271 0.000 0.981 354 G CA 1.605 46.824 45.100 0.198 0.000 0.994 354 G HN 2.697 nan 8.290 nan 0.000 0.514 355 G N -2.130 106.753 108.800 0.138 0.000 2.363 355 G HA2 -0.078 3.882 3.960 0.000 0.000 0.238 355 G HA3 -0.078 3.882 3.960 0.000 0.000 0.238 355 G C 0.553 175.512 174.900 0.098 0.000 1.062 355 G CA 0.746 45.970 45.100 0.206 0.000 0.629 355 G HN 1.981 nan 8.290 nan 0.000 0.514 356 L N 0.495 121.741 121.223 0.038 0.000 2.399 356 L HA 0.874 5.214 4.340 0.000 0.000 0.266 356 L C 0.111 176.841 176.870 -0.234 0.000 1.114 356 L CA -1.005 53.752 54.840 -0.139 0.000 0.804 356 L CB 0.913 42.804 42.059 -0.280 0.000 1.146 356 L HN 0.504 nan 8.230 nan 0.000 0.451 357 E N 0.745 120.749 120.200 -0.327 0.000 2.256 357 E HA 0.586 4.936 4.350 0.000 0.000 0.267 357 E C -1.622 174.729 176.600 -0.415 0.000 0.892 357 E CA -0.609 55.650 56.400 -0.235 0.000 0.775 357 E CB 1.712 31.359 29.700 -0.088 0.000 1.207 357 E HN 0.460 nan 8.360 nan 0.000 0.420 358 F N 2.038 122.011 119.950 0.039 0.000 2.359 358 F HA 0.280 4.807 4.527 0.000 0.000 0.369 358 F C -1.641 174.231 175.800 0.119 0.000 1.084 358 F CA -2.442 55.600 58.000 0.070 0.000 1.096 358 F CB 1.647 40.681 39.000 0.057 0.000 1.335 358 F HN 0.371 nan 8.300 nan 0.000 0.457 359 P HA -0.039 nan 4.420 nan 0.000 0.234 359 P C -0.013 177.429 177.300 0.235 0.000 1.167 359 P CA 0.648 63.868 63.100 0.201 0.000 0.763 359 P CB 0.450 32.238 31.700 0.147 0.000 0.835 360 A N 0.272 123.279 122.820 0.313 0.000 2.457 360 A HA 0.536 4.856 4.320 0.000 0.000 0.283 360 A C -0.195 177.627 177.584 0.397 0.000 1.166 360 A CA -0.416 51.830 52.037 0.348 0.000 0.740 360 A CB 0.283 19.513 19.000 0.384 0.000 1.181 360 A HN 0.273 nan 8.150 nan 0.000 0.446 361 C N 0.891 120.359 119.300 0.279 0.000 3.079 361 C HA 0.465 4.925 4.460 0.000 0.000 0.246 361 C C -2.934 172.120 174.990 0.105 0.000 1.025 361 C CA -1.478 57.655 59.018 0.190 0.000 1.081 361 C CB -0.193 27.676 27.740 0.215 0.000 1.757 361 C HN 0.581 nan 8.230 nan 0.000 0.646 362 P HA 0.334 nan 4.420 nan 0.000 0.264 362 P C -0.596 176.607 177.300 -0.161 0.000 1.193 362 P CA 1.003 63.960 63.100 -0.239 0.000 0.763 362 P CB 0.489 32.073 31.700 -0.193 0.000 0.810 363 F N 0.659 120.503 119.950 -0.177 0.000 2.629 363 F HA 0.689 5.216 4.527 0.000 0.000 0.316 363 F C -0.655 175.017 175.800 -0.213 0.000 1.081 363 F CA -1.237 56.661 58.000 -0.169 0.000 0.954 363 F CB 1.629 40.397 39.000 -0.387 0.000 1.337 363 F HN 0.367 nan 8.300 nan 0.000 0.474 364 N N -0.310 118.443 118.700 0.089 0.000 2.610 364 N HA 0.724 5.464 4.740 0.000 0.000 0.264 364 N C -1.251 174.158 175.510 -0.169 0.000 1.348 364 N CA -0.480 52.550 53.050 -0.033 0.000 0.819 364 N CB 2.006 40.528 38.487 0.058 0.000 1.521 364 N HN 1.087 nan 8.380 nan 0.000 0.497 365 G N -0.889 107.777 108.800 -0.224 0.000 3.195 365 G HA2 0.687 4.647 3.960 0.000 0.000 0.217 365 G HA3 0.687 4.647 3.960 0.000 0.000 0.217 365 G C -1.755 173.056 174.900 -0.148 0.000 1.166 365 G CA -0.749 44.123 45.100 -0.379 0.000 0.812 365 G HN 0.700 nan 8.290 nan 0.000 0.617 366 W N -1.868 119.397 121.300 -0.058 0.000 2.850 366 W HA 0.822 5.482 4.660 0.000 0.000 0.349 366 W C -1.318 175.146 176.519 -0.091 0.000 1.133 366 W CA -2.106 55.220 57.345 -0.032 0.000 1.117 366 W CB 0.332 29.814 29.460 0.036 0.000 1.442 366 W HN 0.405 nan 8.180 nan 0.000 0.575 367 Y N 1.893 122.349 120.300 0.259 0.000 2.379 367 Y HA 0.298 4.848 4.550 0.000 0.000 0.337 367 Y C 0.583 176.474 175.900 -0.015 0.000 1.238 367 Y CA -0.496 57.617 58.100 0.021 0.000 1.405 367 Y CB 1.126 39.489 38.460 -0.162 0.000 1.310 367 Y HN 0.362 nan 8.280 nan 0.000 0.569 368 M N 2.357 122.054 119.600 0.160 0.000 2.167 368 M HA 0.332 4.812 4.480 0.000 0.000 0.333 368 M C 1.061 177.297 176.300 -0.106 0.000 1.030 368 M CA -0.198 55.118 55.300 0.027 0.000 0.963 368 M CB 1.290 33.891 32.600 0.003 0.000 1.589 368 M HN 0.871 nan 8.290 nan 0.000 0.431 369 G N 1.698 110.376 108.800 -0.203 0.000 2.624 369 G HA2 -0.360 3.600 3.960 0.000 0.000 0.221 369 G HA3 -0.360 3.600 3.960 0.000 0.000 0.221 369 G C 1.174 175.866 174.900 -0.347 0.000 1.169 369 G CA 2.063 46.972 45.100 -0.319 0.000 0.771 369 G HN 0.864 nan 8.290 nan 0.000 0.598 370 T N -0.865 113.486 114.554 -0.337 0.000 2.849 370 T HA -0.088 4.262 4.350 0.000 0.000 0.270 370 T C 1.931 176.431 174.700 -0.334 0.000 1.066 370 T CA 1.798 63.668 62.100 -0.383 0.000 1.130 370 T CB -0.337 68.242 68.868 -0.482 0.000 0.864 370 T HN 0.576 nan 8.240 nan 0.000 0.481 371 E N 0.879 120.908 120.200 -0.285 0.000 2.051 371 E HA -0.052 4.298 4.350 0.000 0.000 0.192 371 E C 2.186 178.502 176.600 -0.473 0.000 0.991 371 E CA 1.506 57.758 56.400 -0.246 0.000 0.799 371 E CB -0.274 29.431 29.700 0.009 0.000 0.748 371 E HN 0.580 nan 8.360 nan 0.000 0.449 372 I N 0.515 120.640 120.570 -0.742 0.000 2.206 372 I HA -0.093 4.077 4.170 0.000 0.000 0.239 372 I C 2.632 178.106 176.117 -1.072 0.000 1.078 372 I CA 1.023 61.562 61.300 -1.269 0.000 1.367 372 I CB -0.556 36.601 38.000 -1.404 0.000 1.078 372 I HN 0.127 nan 8.210 nan 0.000 0.413 373 G N 0.425 108.840 108.800 -0.642 0.000 2.422 373 G HA2 -0.139 3.821 3.960 0.000 0.000 0.218 373 G HA3 -0.139 3.821 3.960 0.000 0.000 0.218 373 G C 1.597 176.398 174.900 -0.164 0.000 1.146 373 G CA 1.055 45.979 45.100 -0.294 0.000 0.769 373 G HN 0.241 nan 8.290 nan 0.000 0.547 374 V N 0.165 119.935 119.914 -0.239 0.000 2.490 374 V HA 0.074 4.194 4.120 0.000 0.000 0.238 374 V C 2.790 178.802 176.094 -0.136 0.000 1.056 374 V CA 0.938 63.141 62.300 -0.162 0.000 1.075 374 V CB -0.244 31.458 31.823 -0.202 0.000 0.746 374 V HN 0.120 nan 8.190 nan 0.000 0.479 375 R N 0.768 121.149 120.500 -0.197 0.000 2.052 375 R HA -0.029 4.311 4.340 0.000 0.000 0.226 375 R C 1.961 178.196 176.300 -0.109 0.000 1.145 375 R CA 1.508 57.522 56.100 -0.143 0.000 0.952 375 R CB -1.158 29.044 30.300 -0.164 0.000 0.847 375 R HN 0.473 nan 8.270 nan 0.000 0.431 376 D N 0.499 120.721 120.400 -0.295 0.000 2.097 376 D HA -0.128 4.512 4.640 0.000 0.000 0.195 376 D C 1.869 178.194 176.300 0.041 0.000 0.989 376 D CA 1.173 54.979 54.000 -0.323 0.000 0.827 376 D CB -0.202 39.824 40.800 -1.290 0.000 0.966 376 D HN 0.100 nan 8.370 nan 0.000 0.456 377 F N 0.165 120.016 119.950 -0.166 0.000 2.387 377 F HA 0.059 4.586 4.527 0.000 0.000 0.294 377 F C 2.403 178.248 175.800 0.076 0.000 1.093 377 F CA -0.359 57.644 58.000 0.005 0.000 1.420 377 F CB -0.733 38.250 39.000 -0.028 0.000 1.086 377 F HN 0.042 nan 8.300 nan 0.000 0.531 378 C N -1.139 118.285 119.300 0.207 0.000 2.611 378 C HA 0.138 4.598 4.460 0.000 0.000 0.282 378 C C 0.542 175.592 174.990 0.099 0.000 1.321 378 C CA -0.548 58.550 59.018 0.134 0.000 1.747 378 C CB -0.597 27.181 27.740 0.065 0.000 2.124 378 C HN 0.112 nan 8.230 nan 0.000 0.531 379 D N 1.571 122.022 120.400 0.085 0.000 2.506 379 D HA 0.031 4.671 4.640 0.000 0.000 0.234 379 D C 1.504 177.866 176.300 0.103 0.000 1.143 379 D CA 0.595 54.640 54.000 0.075 0.000 0.871 379 D CB 0.823 41.666 40.800 0.072 0.000 1.190 379 D HN 0.436 nan 8.370 nan 0.000 0.459 380 T N -0.635 113.968 114.554 0.082 0.000 2.915 380 T HA -0.211 4.139 4.350 0.000 0.000 0.269 380 T C 1.405 176.156 174.700 0.085 0.000 1.071 380 T CA 0.727 62.877 62.100 0.082 0.000 1.132 380 T CB -0.041 68.865 68.868 0.065 0.000 0.878 380 T HN 0.515 nan 8.240 nan 0.000 0.479 381 Q N 0.493 120.350 119.800 0.094 0.000 2.432 381 Q HA 0.102 4.442 4.340 0.000 0.000 0.205 381 Q C 1.146 177.211 176.000 0.109 0.000 0.945 381 Q CA 0.153 56.014 55.803 0.096 0.000 0.924 381 Q CB 0.087 28.894 28.738 0.114 0.000 1.016 381 Q HN 0.371 nan 8.270 nan 0.000 0.503 382 R N 0.071 120.659 120.500 0.145 0.000 2.424 382 R HA 0.206 4.546 4.340 0.000 0.000 0.166 382 R C 1.525 177.930 176.300 0.174 0.000 1.347 382 R CA -0.359 55.870 56.100 0.215 0.000 1.274 382 R CB -1.115 29.384 30.300 0.331 0.000 1.949 382 R HN 0.095 nan 8.270 nan 0.000 0.537 383 Y N 1.409 121.860 120.300 0.251 0.000 2.632 383 Y HA -0.062 4.488 4.550 0.000 0.000 0.301 383 Y C 0.598 176.592 175.900 0.157 0.000 1.172 383 Y CA 0.333 58.576 58.100 0.239 0.000 1.328 383 Y CB -0.852 37.840 38.460 0.386 0.000 1.016 383 Y HN 0.470 nan 8.280 nan 0.000 0.529 384 N N 1.314 120.166 118.700 0.254 0.000 2.759 384 N HA -0.239 4.501 4.740 0.000 0.000 0.277 384 N C 0.443 176.045 175.510 0.153 0.000 0.982 384 N CA 0.778 53.931 53.050 0.172 0.000 0.833 384 N CB -1.045 37.512 38.487 0.116 0.000 0.927 384 N HN 0.667 nan 8.380 nan 0.000 0.573 385 I N -2.421 118.248 120.570 0.165 0.000 3.904 385 I HA 0.089 4.259 4.170 0.000 0.000 0.333 385 I C 1.328 177.531 176.117 0.144 0.000 1.361 385 I CA -0.511 60.858 61.300 0.114 0.000 1.116 385 I CB -0.021 37.998 38.000 0.032 0.000 1.028 385 I HN 0.226 nan 8.210 nan 0.000 0.398 386 L N 1.650 122.977 121.223 0.174 0.000 2.017 386 L HA -0.166 4.174 4.340 0.000 0.000 0.208 386 L C 2.435 179.525 176.870 0.367 0.000 1.073 386 L CA 2.275 57.251 54.840 0.227 0.000 0.745 386 L CB -0.493 41.656 42.059 0.150 0.000 0.894 386 L HN 0.556 nan 8.230 nan 0.000 0.432 387 E N -0.280 120.119 120.200 0.332 0.000 2.110 387 E HA -0.308 4.042 4.350 0.000 0.000 0.193 387 E C 1.913 178.556 176.600 0.073 0.000 0.988 387 E CA 1.400 57.947 56.400 0.245 0.000 0.804 387 E CB 0.100 29.866 29.700 0.110 0.000 0.745 387 E HN 0.408 nan 8.360 nan 0.000 0.458 388 E N 0.269 120.513 120.200 0.074 0.000 2.038 388 E HA -0.180 4.170 4.350 0.000 0.000 0.195 388 E C 1.981 178.597 176.600 0.025 0.000 1.000 388 E CA 1.826 58.236 56.400 0.017 0.000 0.803 388 E CB -0.368 29.345 29.700 0.022 0.000 0.750 388 E HN 0.186 nan 8.360 nan 0.000 0.448 389 V N 0.442 120.438 119.914 0.138 0.000 2.295 389 V HA -0.205 3.915 4.120 0.000 0.000 0.246 389 V C 2.363 178.583 176.094 0.210 0.000 1.049 389 V CA 1.995 64.448 62.300 0.255 0.000 1.024 389 V CB -1.271 30.762 31.823 0.349 0.000 0.648 389 V HN 0.529 nan 8.190 nan 0.000 0.447 390 G N -0.575 108.368 108.800 0.239 0.000 2.440 390 G HA2 -0.299 3.661 3.960 0.000 0.000 0.218 390 G HA3 -0.299 3.661 3.960 0.000 0.000 0.218 390 G C 1.766 176.650 174.900 -0.026 0.000 1.154 390 G CA 0.990 46.215 45.100 0.208 0.000 0.767 390 G HN 0.412 nan 8.290 nan 0.000 0.552 391 R N -0.106 120.314 120.500 -0.133 0.000 2.081 391 R HA 0.038 4.378 4.340 0.000 0.000 0.235 391 R C 2.642 178.800 176.300 -0.236 0.000 1.131 391 R CA 1.068 57.054 56.100 -0.190 0.000 0.960 391 R CB -0.167 30.026 30.300 -0.180 0.000 0.856 391 R HN 0.239 nan 8.270 nan 0.000 0.436 392 R N -0.371 119.904 120.500 -0.376 0.000 2.323 392 R HA 0.033 4.373 4.340 0.000 0.000 0.198 392 R C 1.466 177.435 176.300 -0.551 0.000 0.988 392 R CA 0.599 56.250 56.100 -0.748 0.000 1.041 392 R CB 0.126 29.495 30.300 -1.553 0.000 0.926 392 R HN 0.286 nan 8.270 nan 0.000 0.476 393 M N -1.050 118.477 119.600 -0.121 0.000 2.382 393 M HA 0.153 4.633 4.480 0.000 0.000 0.247 393 M C 0.863 177.206 176.300 0.071 0.000 1.104 393 M CA 0.393 55.799 55.300 0.176 0.000 1.030 393 M CB 1.020 33.814 32.600 0.323 0.000 1.424 393 M HN 0.384 nan 8.290 nan 0.000 0.486 394 G N 1.669 110.447 108.800 -0.037 0.000 2.162 394 G HA2 -0.240 3.720 3.960 0.000 0.000 0.260 394 G HA3 -0.240 3.720 3.960 0.000 0.000 0.260 394 G C 0.139 175.026 174.900 -0.021 0.000 0.976 394 G CA -0.070 45.004 45.100 -0.043 0.000 0.655 394 G HN 0.392 nan 8.290 nan 0.000 0.533 395 L N -0.248 120.975 121.223 0.001 0.000 2.474 395 L HA 0.331 4.671 4.340 0.000 0.000 0.259 395 L C 1.084 177.896 176.870 -0.096 0.000 1.232 395 L CA -0.210 54.643 54.840 0.021 0.000 0.821 395 L CB 0.227 42.373 42.059 0.146 0.000 1.108 395 L HN 0.158 nan 8.230 nan 0.000 0.495 396 E N -0.011 120.153 120.200 -0.061 0.000 2.148 396 E HA 0.014 4.364 4.350 0.000 0.000 0.308 396 E C 0.593 176.958 176.600 -0.392 0.000 1.278 396 E CA -0.143 56.191 56.400 -0.111 0.000 1.368 396 E CB -0.040 29.670 29.700 0.015 0.000 1.229 396 E HN 0.526 nan 8.360 nan 0.000 0.494 397 T N 0.186 114.310 114.554 -0.716 0.000 3.026 397 T HA -0.165 4.185 4.350 0.000 0.000 0.271 397 T C 0.614 174.803 174.700 -0.852 0.000 1.149 397 T CA 1.250 62.493 62.100 -1.428 0.000 1.088 397 T CB -0.207 68.013 68.868 -1.080 0.000 0.857 397 T HN 0.444 nan 8.240 nan 0.000 0.551 398 H N -0.415 118.462 119.070 -0.322 0.000 2.672 398 H HA 0.274 4.830 4.556 0.000 0.000 0.277 398 H C 0.042 175.378 175.328 0.014 0.000 1.074 398 H CA 0.002 55.989 56.048 -0.102 0.000 1.173 398 H CB 0.718 30.427 29.762 -0.089 0.000 1.558 398 H HN 0.072 nan 8.280 nan 0.000 0.539 399 T N 1.166 115.801 114.554 0.134 0.000 3.064 399 T HA 0.159 4.509 4.350 0.000 0.000 0.367 399 T C 1.259 176.139 174.700 0.300 0.000 1.202 399 T CA -0.339 61.869 62.100 0.180 0.000 1.133 399 T CB 0.928 69.876 68.868 0.134 0.000 1.074 399 T HN 0.219 nan 8.240 nan 0.000 0.519 400 L N 1.772 123.158 121.223 0.271 0.000 2.051 400 L HA -0.225 4.115 4.340 0.000 0.000 0.214 400 L C 2.736 179.693 176.870 0.145 0.000 1.076 400 L CA 1.752 56.730 54.840 0.230 0.000 0.758 400 L CB -0.361 41.773 42.059 0.126 0.000 0.890 400 L HN 0.734 nan 8.230 nan 0.000 0.433 401 A N -0.612 122.281 122.820 0.122 0.000 2.125 401 A HA -0.186 4.134 4.320 0.000 0.000 0.219 401 A C 2.359 180.004 177.584 0.102 0.000 1.156 401 A CA 1.515 53.603 52.037 0.086 0.000 0.671 401 A CB -0.548 18.495 19.000 0.072 0.000 0.794 401 A HN 0.614 nan 8.150 nan 0.000 0.459 402 S N -0.485 115.314 115.700 0.165 0.000 2.469 402 S HA -0.021 4.449 4.470 0.000 0.000 0.238 402 S C 0.949 175.642 174.600 0.155 0.000 0.998 402 S CA 0.945 59.249 58.200 0.174 0.000 0.957 402 S CB -0.703 62.640 63.200 0.238 0.000 0.764 402 S HN 0.948 nan 8.310 nan 0.000 0.514 403 L N -0.137 121.152 121.223 0.110 0.000 4.140 403 L HA -0.157 4.183 4.340 0.000 0.000 0.406 403 L C 1.575 178.457 176.870 0.020 0.000 1.175 403 L CA 0.755 55.601 54.840 0.009 0.000 0.939 403 L CB -2.739 39.333 42.059 0.022 0.000 2.105 403 L HN 0.766 nan 8.230 nan 0.000 0.803 404 W N 0.455 121.774 121.300 0.033 0.000 2.374 404 W HA -0.142 4.518 4.660 0.000 0.000 0.288 404 W C 1.651 178.193 176.519 0.039 0.000 1.218 404 W CA 1.308 58.676 57.345 0.038 0.000 1.245 404 W CB -0.712 28.768 29.460 0.034 0.000 1.126 404 W HN 0.285 nan 8.180 nan 0.000 0.545 405 K N 0.708 120.598 120.400 -0.850 0.000 2.097 405 K HA -0.140 4.180 4.320 0.000 0.000 0.205 405 K C 1.633 178.060 176.600 -0.288 0.000 1.050 405 K CA 1.838 57.639 56.287 -0.811 0.000 0.938 405 K CB -0.302 31.616 32.500 -0.970 0.000 0.718 405 K HN 0.014 nan 8.250 nan 0.000 0.442 406 D N 0.620 120.902 120.400 -0.197 0.000 2.117 406 D HA -0.138 4.502 4.640 0.000 0.000 0.198 406 D C 2.013 178.304 176.300 -0.015 0.000 0.982 406 D CA 1.034 54.983 54.000 -0.086 0.000 0.828 406 D CB -0.034 40.732 40.800 -0.056 0.000 0.967 406 D HN 0.055 nan 8.370 nan 0.000 0.464 407 R N 1.011 121.528 120.500 0.027 0.000 2.073 407 R HA -0.062 4.278 4.340 0.000 0.000 0.234 407 R C 2.207 178.568 176.300 0.102 0.000 1.134 407 R CA 1.551 57.704 56.100 0.087 0.000 0.952 407 R CB -0.487 29.899 30.300 0.144 0.000 0.850 407 R HN 0.099 nan 8.270 nan 0.000 0.433 408 A N -0.235 122.667 122.820 0.136 0.000 1.841 408 A HA -0.170 4.150 4.320 0.000 0.000 0.216 408 A C 2.284 179.933 177.584 0.108 0.000 1.199 408 A CA 1.828 53.968 52.037 0.173 0.000 0.621 408 A CB -1.276 17.881 19.000 0.262 0.000 0.835 408 A HN 0.246 nan 8.150 nan 0.000 0.445 409 V N -0.004 119.940 119.914 0.050 0.000 2.370 409 V HA -0.274 3.846 4.120 0.000 0.000 0.252 409 V C 2.644 178.747 176.094 0.014 0.000 1.068 409 V CA 2.983 65.298 62.300 0.024 0.000 1.061 409 V CB -0.930 30.872 31.823 -0.034 0.000 0.656 409 V HN 0.700 nan 8.190 nan 0.000 0.455 410 T N -0.413 114.152 114.554 0.018 0.000 2.708 410 T HA -0.159 4.191 4.350 0.000 0.000 0.266 410 T C 1.803 176.506 174.700 0.006 0.000 1.037 410 T CA 1.596 63.708 62.100 0.019 0.000 1.146 410 T CB -0.275 68.615 68.868 0.037 0.000 0.865 410 T HN 0.507 nan 8.240 nan 0.000 0.435 411 E N 0.927 121.135 120.200 0.013 0.000 2.110 411 E HA -0.026 4.324 4.350 0.000 0.000 0.193 411 E C 2.228 178.795 176.600 -0.055 0.000 0.988 411 E CA 0.742 57.135 56.400 -0.011 0.000 0.804 411 E CB -0.456 29.152 29.700 -0.153 0.000 0.745 411 E HN 0.539 nan 8.360 nan 0.000 0.458 412 I N 1.462 122.042 120.570 0.017 0.000 2.226 412 I HA -0.258 3.912 4.170 0.000 0.000 0.245 412 I C 2.098 178.184 176.117 -0.052 0.000 1.100 412 I CA 0.788 62.115 61.300 0.045 0.000 1.374 412 I CB -0.334 37.794 38.000 0.215 0.000 1.057 412 I HN 0.050 nan 8.210 nan 0.000 0.413 413 N N 0.799 119.465 118.700 -0.056 0.000 2.084 413 N HA -0.157 4.583 4.740 0.000 0.000 0.190 413 N C 2.032 177.472 175.510 -0.116 0.000 1.030 413 N CA 1.891 54.882 53.050 -0.099 0.000 0.849 413 N CB -0.384 38.050 38.487 -0.089 0.000 1.012 413 N HN 0.402 nan 8.380 nan 0.000 0.423 414 V N -0.362 119.472 119.914 -0.132 0.000 2.515 414 V HA -0.005 4.116 4.120 0.000 0.000 0.250 414 V C 2.275 178.212 176.094 -0.261 0.000 1.058 414 V CA 1.702 63.895 62.300 -0.178 0.000 1.064 414 V CB -0.915 30.779 31.823 -0.214 0.000 0.675 414 V HN 0.189 nan 8.190 nan 0.000 0.461 415 A N 0.654 123.242 122.820 -0.386 0.000 1.851 415 A HA -0.138 4.182 4.320 0.000 0.000 0.216 415 A C 2.431 179.913 177.584 -0.170 0.000 1.195 415 A CA 2.716 54.472 52.037 -0.468 0.000 0.622 415 A CB -1.188 17.237 19.000 -0.958 0.000 0.831 415 A HN 0.522 nan 8.150 nan 0.000 0.444 416 V N -0.337 119.517 119.914 -0.101 0.000 2.252 416 V HA -0.278 3.843 4.120 0.000 0.000 0.249 416 V C 2.548 178.654 176.094 0.021 0.000 1.056 416 V CA 2.148 64.449 62.300 0.002 0.000 1.022 416 V CB -0.859 30.885 31.823 -0.132 0.000 0.641 416 V HN 0.502 nan 8.190 nan 0.000 0.445 417 L N -0.314 120.867 121.223 -0.069 0.000 2.012 417 L HA -0.223 4.117 4.340 0.000 0.000 0.210 417 L C 2.506 179.385 176.870 0.015 0.000 1.073 417 L CA 2.340 57.149 54.840 -0.052 0.000 0.748 417 L CB -1.393 40.634 42.059 -0.054 0.000 0.891 417 L HN 0.533 nan 8.230 nan 0.000 0.431 418 H N -1.284 117.727 119.070 -0.097 0.000 2.352 418 H HA -0.121 4.435 4.556 0.000 0.000 0.299 418 H C 2.057 177.362 175.328 -0.038 0.000 1.097 418 H CA 1.702 57.691 56.048 -0.099 0.000 1.311 418 H CB 0.471 30.113 29.762 -0.200 0.000 1.377 418 H HN 0.317 nan 8.280 nan 0.000 0.504 419 S N 0.140 115.751 115.700 -0.148 0.000 2.368 419 S HA -0.097 4.373 4.470 0.000 0.000 0.224 419 S C 1.922 176.468 174.600 -0.089 0.000 1.029 419 S CA 1.025 59.132 58.200 -0.156 0.000 0.988 419 S CB -0.437 62.759 63.200 -0.006 0.000 0.838 419 S HN 0.292 nan 8.310 nan 0.000 0.462 420 F N 1.819 121.680 119.950 -0.149 0.000 2.186 420 F HA -0.072 4.455 4.527 0.000 0.000 0.299 420 F C 2.616 178.338 175.800 -0.129 0.000 1.090 420 F CA 0.967 58.899 58.000 -0.112 0.000 1.307 420 F CB -0.534 38.413 39.000 -0.088 0.000 1.019 420 F HN 0.134 nan 8.300 nan 0.000 0.489 421 Q N 0.135 119.956 119.800 0.035 0.000 2.020 421 Q HA -0.211 4.129 4.340 0.000 0.000 0.202 421 Q C 2.252 178.190 176.000 -0.103 0.000 0.982 421 Q CA 1.739 57.517 55.803 -0.042 0.000 0.838 421 Q CB -0.279 28.425 28.738 -0.057 0.000 0.899 421 Q HN 0.215 nan 8.270 nan 0.000 0.423 422 K N 0.170 120.445 120.400 -0.208 0.000 2.113 422 K HA -0.204 4.116 4.320 0.000 0.000 0.208 422 K C 1.297 177.815 176.600 -0.136 0.000 1.047 422 K CA 1.480 57.642 56.287 -0.209 0.000 0.928 422 K CB 0.104 32.393 32.500 -0.353 0.000 0.716 422 K HN 0.212 nan 8.250 nan 0.000 0.446 423 Q N 0.121 119.838 119.800 -0.139 0.000 2.246 423 Q HA 0.116 4.456 4.340 0.000 0.000 0.202 423 Q C -0.685 175.257 176.000 -0.096 0.000 0.883 423 Q CA -0.228 55.502 55.803 -0.121 0.000 0.952 423 Q CB 0.566 29.206 28.738 -0.163 0.000 1.078 423 Q HN 0.278 nan 8.270 nan 0.000 0.493 424 N N -0.051 118.605 118.700 -0.074 0.000 2.727 424 N HA -0.150 4.590 4.740 0.000 0.000 0.249 424 N C -1.225 174.260 175.510 -0.042 0.000 1.048 424 N CA 0.593 53.610 53.050 -0.055 0.000 0.714 424 N CB -1.331 37.123 38.487 -0.054 0.000 0.959 424 N HN 0.038 nan 8.380 nan 0.000 0.544 425 V N 0.832 120.738 119.914 -0.012 0.000 2.459 425 V HA 0.249 4.369 4.120 0.000 0.000 0.295 425 V C 0.897 177.089 176.094 0.163 0.000 1.029 425 V CA -0.628 61.703 62.300 0.052 0.000 0.874 425 V CB 2.017 33.815 31.823 -0.042 0.000 0.985 425 V HN 0.160 nan 8.190 nan 0.000 0.438 426 T N 6.420 121.008 114.554 0.056 0.000 2.908 426 T HA 0.436 4.786 4.350 0.000 0.000 0.301 426 T C -0.235 174.453 174.700 -0.020 0.000 1.019 426 T CA 0.838 62.870 62.100 -0.114 0.000 1.152 426 T CB 0.079 68.724 68.868 -0.373 0.000 0.966 426 T HN 0.581 nan 8.240 nan 0.000 0.540 427 I N 2.577 123.053 120.570 -0.158 0.000 2.947 427 I HA 0.533 4.703 4.170 0.000 0.000 0.301 427 I C -1.663 174.388 176.117 -0.111 0.000 1.453 427 I CA -1.205 60.002 61.300 -0.156 0.000 0.984 427 I CB 1.866 39.613 38.000 -0.421 0.000 1.333 427 I HN 0.755 nan 8.210 nan 0.000 0.475 428 M N 4.490 124.084 119.600 -0.010 0.000 2.446 428 M HA 0.505 4.985 4.480 0.000 0.000 0.294 428 M C -1.749 174.575 176.300 0.040 0.000 1.158 428 M CA -0.667 54.662 55.300 0.048 0.000 0.899 428 M CB 2.106 34.814 32.600 0.181 0.000 1.687 428 M HN 0.524 nan 8.290 nan 0.000 0.455 429 D N 2.389 122.828 120.400 0.065 0.000 2.344 429 D HA 0.060 4.700 4.640 0.000 0.000 0.244 429 D C 0.708 177.115 176.300 0.178 0.000 1.134 429 D CA -0.211 53.873 54.000 0.140 0.000 0.930 429 D CB 0.695 41.590 40.800 0.159 0.000 1.175 429 D HN 0.895 nan 8.370 nan 0.000 0.437 430 H N 0.315 119.348 119.070 -0.061 0.000 2.457 430 H HA -0.121 4.435 4.556 0.000 0.000 0.294 430 H C 1.348 176.585 175.328 -0.151 0.000 1.064 430 H CA 1.168 57.135 56.048 -0.136 0.000 1.330 430 H CB -0.760 28.865 29.762 -0.229 0.000 1.395 430 H HN 0.533 nan 8.280 nan 0.000 0.541 431 H N 0.836 119.723 119.070 -0.305 0.000 2.299 431 H HA -0.044 4.512 4.556 0.000 0.000 0.302 431 H C 1.883 177.172 175.328 -0.065 0.000 1.078 431 H CA 2.007 57.918 56.048 -0.228 0.000 1.323 431 H CB -0.236 29.376 29.762 -0.249 0.000 1.381 431 H HN 0.383 nan 8.280 nan 0.000 0.498 432 T N 1.267 115.883 114.554 0.104 0.000 2.759 432 T HA -0.123 4.227 4.350 0.000 0.000 0.269 432 T C 2.319 177.078 174.700 0.099 0.000 1.042 432 T CA 1.135 63.289 62.100 0.090 0.000 1.140 432 T CB -0.421 68.496 68.868 0.081 0.000 0.864 432 T HN 0.431 nan 8.240 nan 0.000 0.455 433 A N 1.451 124.328 122.820 0.095 0.000 1.865 433 A HA -0.133 4.187 4.320 0.000 0.000 0.217 433 A C 2.640 180.294 177.584 0.117 0.000 1.191 433 A CA 2.122 54.223 52.037 0.106 0.000 0.623 433 A CB -1.041 18.005 19.000 0.077 0.000 0.826 433 A HN 0.445 nan 8.150 nan 0.000 0.444 434 S N -0.229 115.516 115.700 0.074 0.000 2.370 434 S HA -0.180 4.290 4.470 0.000 0.000 0.226 434 S C 1.869 176.567 174.600 0.163 0.000 1.033 434 S CA 1.535 59.796 58.200 0.101 0.000 1.011 434 S CB -0.378 62.838 63.200 0.026 0.000 0.852 434 S HN 0.684 nan 8.310 nan 0.000 0.457 435 E N 1.290 121.563 120.200 0.122 0.000 2.077 435 E HA -0.132 4.218 4.350 0.000 0.000 0.193 435 E C 2.464 179.139 176.600 0.124 0.000 0.989 435 E CA 1.550 58.017 56.400 0.113 0.000 0.800 435 E CB -0.328 29.424 29.700 0.086 0.000 0.746 435 E HN 0.658 nan 8.360 nan 0.000 0.452 436 S N 0.910 116.695 115.700 0.141 0.000 2.402 436 S HA -0.165 4.305 4.470 0.000 0.000 0.229 436 S C 1.906 176.615 174.600 0.182 0.000 1.021 436 S CA 0.666 58.952 58.200 0.144 0.000 0.974 436 S CB -0.526 62.763 63.200 0.148 0.000 0.800 436 S HN 0.259 nan 8.310 nan 0.000 0.484 437 F N 2.260 122.263 119.950 0.088 0.000 2.186 437 F HA 0.058 4.585 4.527 0.000 0.000 0.299 437 F C 2.304 178.186 175.800 0.135 0.000 1.090 437 F CA 1.132 59.202 58.000 0.117 0.000 1.307 437 F CB -0.356 38.689 39.000 0.076 0.000 1.019 437 F HN 0.072 nan 8.300 nan 0.000 0.489 438 M N 0.180 119.823 119.600 0.071 0.000 2.086 438 M HA -0.193 4.287 4.480 0.000 0.000 0.261 438 M C 2.261 178.513 176.300 -0.081 0.000 1.067 438 M CA 1.624 56.911 55.300 -0.021 0.000 1.116 438 M CB -1.240 31.403 32.600 0.072 0.000 1.348 438 M HN 0.070 nan 8.290 nan 0.000 0.407 439 K N -0.204 120.190 120.400 -0.009 0.000 2.063 439 K HA -0.226 4.095 4.320 0.000 0.000 0.208 439 K C 1.948 178.529 176.600 -0.032 0.000 1.048 439 K CA 1.949 58.233 56.287 -0.004 0.000 0.928 439 K CB -0.686 31.837 32.500 0.039 0.000 0.713 439 K HN 0.438 nan 8.250 nan 0.000 0.442 440 H N -0.490 118.490 119.070 -0.151 0.000 2.357 440 H HA 0.015 4.571 4.556 0.000 0.000 0.301 440 H C 1.999 177.167 175.328 -0.267 0.000 1.082 440 H CA 2.279 58.215 56.048 -0.185 0.000 1.342 440 H CB -0.133 29.511 29.762 -0.198 0.000 1.389 440 H HN 0.266 nan 8.280 nan 0.000 0.511 441 M N -0.136 119.125 119.600 -0.564 0.000 2.159 441 M HA -0.199 4.281 4.480 0.000 0.000 0.263 441 M C 2.033 178.235 176.300 -0.162 0.000 1.063 441 M CA 1.789 56.804 55.300 -0.475 0.000 1.110 441 M CB 0.042 32.366 32.600 -0.459 0.000 1.374 441 M HN 0.447 nan 8.290 nan 0.000 0.411 442 Q N -0.086 119.623 119.800 -0.151 0.000 2.079 442 Q HA -0.149 4.191 4.340 0.000 0.000 0.200 442 Q C 1.731 177.700 176.000 -0.051 0.000 0.974 442 Q CA 1.532 57.292 55.803 -0.071 0.000 0.840 442 Q CB -0.169 28.529 28.738 -0.067 0.000 0.898 442 Q HN 0.568 nan 8.270 nan 0.000 0.430 443 N N 0.768 119.404 118.700 -0.106 0.000 2.084 443 N HA -0.184 4.556 4.740 0.000 0.000 0.190 443 N C 1.619 177.048 175.510 -0.134 0.000 1.030 443 N CA 1.165 54.162 53.050 -0.089 0.000 0.849 443 N CB -0.215 38.233 38.487 -0.064 0.000 1.012 443 N HN 0.186 nan 8.380 nan 0.000 0.423 444 E N -0.023 120.010 120.200 -0.278 0.000 2.153 444 E HA -0.117 4.233 4.350 0.000 0.000 0.194 444 E C 1.474 177.926 176.600 -0.247 0.000 0.988 444 E CA 0.973 57.165 56.400 -0.347 0.000 0.811 444 E CB -0.177 29.171 29.700 -0.587 0.000 0.746 444 E HN 0.425 nan 8.360 nan 0.000 0.466 445 Y N -0.267 119.921 120.300 -0.187 0.000 2.263 445 Y HA -0.032 4.519 4.550 0.000 0.000 0.292 445 Y C 2.366 178.212 175.900 -0.090 0.000 1.130 445 Y CA 1.214 59.244 58.100 -0.116 0.000 1.179 445 Y CB -0.009 38.396 38.460 -0.092 0.000 0.998 445 Y HN -0.030 nan 8.280 nan 0.000 0.532 446 R N 0.925 121.452 120.500 0.044 0.000 2.066 446 R HA -0.106 4.234 4.340 0.000 0.000 0.232 446 R C 2.131 178.414 176.300 -0.029 0.000 1.131 446 R CA 1.438 57.544 56.100 0.009 0.000 0.955 446 R CB -0.737 29.564 30.300 0.002 0.000 0.851 446 R HN 0.317 nan 8.270 nan 0.000 0.432 447 A N 1.910 124.693 122.820 -0.061 0.000 1.845 447 A HA -0.171 4.149 4.320 0.000 0.000 0.215 447 A C 1.763 179.290 177.584 -0.095 0.000 1.195 447 A CA 1.943 53.936 52.037 -0.074 0.000 0.616 447 A CB -0.240 18.702 19.000 -0.098 0.000 0.832 447 A HN 0.561 nan 8.150 nan 0.000 0.443 448 R N -2.205 118.206 120.500 -0.148 0.000 2.642 448 R HA 0.422 4.762 4.340 0.000 0.000 0.435 448 R C 0.634 176.825 176.300 -0.182 0.000 1.046 448 R CA 0.262 56.273 56.100 -0.149 0.000 1.103 448 R CB -0.722 29.479 30.300 -0.165 0.000 1.425 448 R HN 0.862 nan 8.270 nan 0.000 0.586 449 G N 0.218 108.908 108.800 -0.185 0.000 2.371 449 G HA2 -0.061 3.899 3.960 0.000 0.000 0.299 449 G HA3 -0.061 3.899 3.960 0.000 0.000 0.299 449 G C 0.225 174.855 174.900 -0.451 0.000 1.014 449 G CA 0.368 45.346 45.100 -0.204 0.000 1.097 449 G HN 0.931 nan 8.290 nan 0.000 0.512 450 G N -2.479 105.787 108.800 -0.890 0.000 2.325 450 G HA2 0.582 4.542 3.960 0.000 0.000 0.297 450 G HA3 0.582 4.542 3.960 0.000 0.000 0.297 450 G C -0.845 173.580 174.900 -0.792 0.000 1.448 450 G CA 0.229 44.731 45.100 -0.996 0.000 0.838 450 G HN 1.939 nan 8.290 nan 0.000 0.579 451 C N 2.203 121.234 119.300 -0.449 0.000 3.130 451 C HA 0.520 4.980 4.460 0.000 0.000 0.386 451 C C -2.630 172.290 174.990 -0.118 0.000 1.064 451 C CA -1.003 57.874 59.018 -0.235 0.000 1.298 451 C CB 0.707 28.340 27.740 -0.178 0.000 1.675 451 C HN 0.709 nan 8.230 nan 0.000 0.527 452 P HA 0.360 nan 4.420 nan 0.000 0.266 452 P C -0.470 176.740 177.300 -0.149 0.000 1.215 452 P CA 0.769 63.525 63.100 -0.574 0.000 0.763 452 P CB 0.864 32.015 31.700 -0.916 0.000 0.806 453 A N 3.042 125.855 122.820 -0.012 0.000 2.398 453 A HA 0.386 4.706 4.320 0.000 0.000 0.301 453 A C -0.755 176.889 177.584 0.099 0.000 1.041 453 A CA -0.579 51.530 52.037 0.120 0.000 0.711 453 A CB 1.145 20.340 19.000 0.325 0.000 1.240 453 A HN 0.428 nan 8.150 nan 0.000 0.420 454 D N 2.368 122.803 120.400 0.058 0.000 2.456 454 D HA 0.117 4.757 4.640 0.000 0.000 0.219 454 D C 0.881 177.305 176.300 0.206 0.000 1.126 454 D CA -0.505 53.557 54.000 0.104 0.000 0.890 454 D CB 0.258 41.050 40.800 -0.014 0.000 1.025 454 D HN 0.612 nan 8.370 nan 0.000 0.511 455 W N 4.654 125.983 121.300 0.048 0.000 2.302 455 W HA -0.270 4.390 4.660 0.000 0.000 0.320 455 W C 1.841 178.395 176.519 0.059 0.000 1.241 455 W CA 1.421 58.784 57.345 0.031 0.000 1.264 455 W CB -0.187 29.271 29.460 -0.003 0.000 1.154 455 W HN 0.470 nan 8.180 nan 0.000 0.483 456 I N -0.859 120.040 120.570 0.548 0.000 2.300 456 I HA -0.334 3.836 4.170 0.000 0.000 0.252 456 I C 1.677 177.900 176.117 0.176 0.000 1.119 456 I CA 1.616 63.160 61.300 0.407 0.000 1.384 456 I CB -0.661 37.597 38.000 0.431 0.000 1.062 456 I HN 0.173 nan 8.210 nan 0.000 0.426 457 W N -0.113 121.152 121.300 -0.058 0.000 2.872 457 W HA 0.160 4.820 4.660 0.000 0.000 0.266 457 W C 2.118 178.503 176.519 -0.223 0.000 1.276 457 W CA 0.134 57.405 57.345 -0.123 0.000 1.471 457 W CB -0.285 29.120 29.460 -0.092 0.000 1.071 457 W HN -0.036 nan 8.180 nan 0.000 0.619 458 L N -0.437 120.721 121.223 -0.107 0.000 2.375 458 L HA 0.077 4.417 4.340 0.000 0.000 0.215 458 L C 0.651 177.300 176.870 -0.368 0.000 1.108 458 L CA 0.177 54.831 54.840 -0.311 0.000 0.830 458 L CB -0.678 41.105 42.059 -0.460 0.000 0.959 458 L HN -0.406 nan 8.230 nan 0.000 0.457 459 V N 1.515 121.135 119.914 -0.489 0.000 2.508 459 V HA 0.145 4.265 4.120 0.000 0.000 0.281 459 V C -1.860 174.048 176.094 -0.310 0.000 1.041 459 V CA -1.334 60.663 62.300 -0.505 0.000 1.016 459 V CB 0.721 32.022 31.823 -0.871 0.000 0.984 459 V HN 0.009 nan 8.190 nan 0.000 0.478 460 P HA 0.095 nan 4.420 nan 0.000 0.267 460 P C -1.879 175.318 177.300 -0.173 0.000 1.200 460 P CA -0.973 62.029 63.100 -0.163 0.000 0.772 460 P CB 0.068 31.739 31.700 -0.047 0.000 0.855 461 P HA -0.029 nan 4.420 nan 0.000 0.239 461 P C -0.052 177.161 177.300 -0.144 0.000 1.184 461 P CA 1.032 64.025 63.100 -0.178 0.000 0.760 461 P CB 0.397 31.974 31.700 -0.206 0.000 0.884 462 V N -1.675 118.157 119.914 -0.137 0.000 3.048 462 V HA 0.319 4.439 4.120 0.000 0.000 0.303 462 V C -0.252 175.825 176.094 -0.030 0.000 1.214 462 V CA -0.385 61.858 62.300 -0.095 0.000 0.984 462 V CB 1.750 33.494 31.823 -0.132 0.000 1.054 462 V HN -0.012 nan 8.190 nan 0.000 0.430 463 S N 3.114 118.796 115.700 -0.031 0.000 3.641 463 S HA -0.185 4.285 4.470 0.000 0.000 0.346 463 S C 1.389 175.915 174.600 -0.122 0.000 1.074 463 S CA 1.259 59.435 58.200 -0.040 0.000 1.026 463 S CB -1.490 61.735 63.200 0.042 0.000 0.908 463 S HN 1.861 nan 8.310 nan 0.000 0.479 464 G N 2.486 111.193 108.800 -0.155 0.000 2.628 464 G HA2 -0.316 3.644 3.960 0.000 0.000 0.217 464 G HA3 -0.316 3.644 3.960 0.000 0.000 0.217 464 G C 1.488 176.122 174.900 -0.442 0.000 1.240 464 G CA 1.576 46.553 45.100 -0.204 0.000 0.792 464 G HN 1.302 nan 8.290 nan 0.000 0.593 465 S N 0.262 115.374 115.700 -0.981 0.000 2.500 465 S HA 0.032 4.502 4.470 0.000 0.000 0.239 465 S C 1.901 176.340 174.600 -0.269 0.000 0.989 465 S CA 0.679 58.150 58.200 -1.216 0.000 0.951 465 S CB -0.099 62.357 63.200 -1.240 0.000 0.759 465 S HN 0.186 nan 8.310 nan 0.000 0.523 466 I N 1.865 122.336 120.570 -0.164 0.000 3.564 466 I HA 0.158 4.328 4.170 0.000 0.000 0.294 466 I C 0.561 176.709 176.117 0.052 0.000 1.289 466 I CA 0.447 61.749 61.300 0.003 0.000 1.325 466 I CB -1.785 36.236 38.000 0.036 0.000 1.039 466 I HN 0.250 nan 8.210 nan 0.000 0.474 467 T N 1.633 116.189 114.554 0.004 0.000 2.885 467 T HA 0.308 4.658 4.350 0.000 0.000 0.285 467 T C -1.613 173.183 174.700 0.161 0.000 1.019 467 T CA -1.088 61.032 62.100 0.033 0.000 1.010 467 T CB 2.717 71.539 68.868 -0.076 0.000 1.022 467 T HN -0.139 nan 8.240 nan 0.000 0.466 468 P HA -0.131 nan 4.420 nan 0.000 0.213 468 P C 1.855 179.307 177.300 0.253 0.000 1.170 468 P CA 0.955 64.209 63.100 0.256 0.000 0.898 468 P CB -0.227 31.575 31.700 0.171 0.000 0.787 469 V N -2.458 117.556 119.914 0.167 0.000 2.636 469 V HA -0.292 3.828 4.120 0.000 0.000 0.258 469 V C 2.051 178.185 176.094 0.068 0.000 1.092 469 V CA 1.822 64.201 62.300 0.131 0.000 1.110 469 V CB -2.043 29.811 31.823 0.051 0.000 0.685 469 V HN -0.022 nan 8.190 nan 0.000 0.481 470 F N 1.898 121.766 119.950 -0.137 0.000 2.171 470 F HA -0.092 4.435 4.527 0.000 0.000 0.300 470 F C 2.302 178.158 175.800 0.094 0.000 1.090 470 F CA 2.117 60.024 58.000 -0.155 0.000 1.293 470 F CB -0.291 38.483 39.000 -0.376 0.000 1.013 470 F HN 0.357 nan 8.300 nan 0.000 0.486 471 H N -0.615 118.696 119.070 0.401 0.000 2.524 471 H HA 0.148 4.704 4.556 0.000 0.000 0.280 471 H C 0.083 175.513 175.328 0.171 0.000 1.018 471 H CA 0.070 56.276 56.048 0.262 0.000 1.165 471 H CB -0.239 29.687 29.762 0.274 0.000 1.411 471 H HN 0.255 nan 8.280 nan 0.000 0.569 472 Q N 2.040 122.011 119.800 0.285 0.000 2.372 472 Q HA 0.169 4.509 4.340 0.000 0.000 0.259 472 Q C -0.585 175.548 176.000 0.220 0.000 0.993 472 Q CA -0.439 55.497 55.803 0.222 0.000 0.854 472 Q CB 0.712 29.582 28.738 0.220 0.000 1.231 472 Q HN 0.245 nan 8.270 nan 0.000 0.462 473 E N 3.848 124.108 120.200 0.101 0.000 2.398 473 E HA 0.362 4.712 4.350 0.000 0.000 0.263 473 E C -0.479 176.190 176.600 0.114 0.000 1.046 473 E CA 0.235 56.664 56.400 0.049 0.000 0.908 473 E CB 0.648 30.346 29.700 -0.002 0.000 0.963 473 E HN 0.655 nan 8.360 nan 0.000 0.431 474 M N 1.031 120.712 119.600 0.135 0.000 2.465 474 M HA 0.351 4.832 4.480 0.000 0.000 0.284 474 M C -1.629 174.779 176.300 0.180 0.000 1.212 474 M CA -1.094 54.324 55.300 0.196 0.000 0.910 474 M CB 1.106 33.872 32.600 0.276 0.000 1.725 474 M HN 0.098 nan 8.290 nan 0.000 0.477 475 L N 2.782 124.144 121.223 0.231 0.000 2.264 475 L HA 0.478 4.818 4.340 0.000 0.000 0.289 475 L C -0.399 176.615 176.870 0.240 0.000 1.044 475 L CA 0.098 55.099 54.840 0.268 0.000 0.807 475 L CB 0.861 43.142 42.059 0.369 0.000 1.192 475 L HN 0.747 nan 8.230 nan 0.000 0.425 476 N N 3.774 122.581 118.700 0.178 0.000 2.457 476 N HA 0.483 5.223 4.740 0.000 0.000 0.250 476 N C -1.429 174.144 175.510 0.106 0.000 0.982 476 N CA -0.302 52.773 53.050 0.042 0.000 0.941 476 N CB 0.462 38.975 38.487 0.044 0.000 1.120 476 N HN 0.373 nan 8.380 nan 0.000 0.505 477 Y N 0.235 120.529 120.300 -0.011 0.000 2.597 477 Y HA 0.624 5.174 4.550 0.000 0.000 0.340 477 Y C -1.081 174.755 175.900 -0.105 0.000 1.097 477 Y CA -1.450 56.615 58.100 -0.059 0.000 1.037 477 Y CB 0.538 38.965 38.460 -0.055 0.000 1.305 477 Y HN 0.006 nan 8.280 nan 0.000 0.463 478 V N 4.231 124.089 119.914 -0.093 0.000 2.432 478 V HA 0.348 4.468 4.120 0.000 0.000 0.275 478 V C 0.210 176.170 176.094 -0.222 0.000 1.043 478 V CA -0.336 61.698 62.300 -0.442 0.000 0.925 478 V CB 0.578 31.950 31.823 -0.751 0.000 0.985 478 V HN 0.753 nan 8.190 nan 0.000 0.466 479 L N 2.977 124.106 121.223 -0.157 0.000 2.558 479 L HA 0.754 5.094 4.340 0.000 0.000 0.260 479 L C 0.134 176.990 176.870 -0.024 0.000 1.130 479 L CA -0.547 54.285 54.840 -0.012 0.000 1.049 479 L CB 1.831 43.922 42.059 0.053 0.000 1.758 479 L HN 0.621 nan 8.230 nan 0.000 0.555 480 S N -0.013 115.703 115.700 0.027 0.000 2.543 480 S HA 0.505 4.975 4.470 0.000 0.000 0.271 480 S C -2.754 171.876 174.600 0.050 0.000 1.148 480 S CA -1.054 57.167 58.200 0.035 0.000 0.914 480 S CB 1.977 65.179 63.200 0.004 0.000 1.096 480 S HN 0.267 nan 8.310 nan 0.000 0.471 481 P HA 0.360 nan 4.420 nan 0.000 0.271 481 P C -1.031 176.227 177.300 -0.070 0.000 1.233 481 P CA -0.150 62.902 63.100 -0.080 0.000 0.789 481 P CB 0.281 31.862 31.700 -0.198 0.000 0.951 482 F N -0.165 119.571 119.950 -0.358 0.000 2.654 482 F HA 0.398 4.925 4.527 0.000 0.000 0.308 482 F C -1.445 173.998 175.800 -0.596 0.000 1.108 482 F CA -0.860 56.839 58.000 -0.502 0.000 0.957 482 F CB 1.349 40.040 39.000 -0.515 0.000 1.309 482 F HN 0.115 nan 8.300 nan 0.000 0.446 483 Y N 4.311 124.089 120.300 -0.869 0.000 2.434 483 Y HA 0.420 4.970 4.550 0.000 0.000 0.341 483 Y C -0.840 174.753 175.900 -0.511 0.000 0.965 483 Y CA -0.686 57.120 58.100 -0.490 0.000 1.205 483 Y CB 0.206 38.372 38.460 -0.490 0.000 1.121 483 Y HN 0.369 nan 8.280 nan 0.000 0.507 484 Y N 1.275 121.643 120.300 0.113 0.000 2.374 484 Y HA 0.352 4.902 4.550 0.000 0.000 0.322 484 Y C 0.051 176.000 175.900 0.082 0.000 1.275 484 Y CA -0.962 57.208 58.100 0.117 0.000 1.307 484 Y CB 0.879 39.439 38.460 0.167 0.000 1.282 484 Y HN 0.473 nan 8.280 nan 0.000 0.509 485 Y N 0.715 121.183 120.300 0.280 0.000 2.392 485 Y HA 0.374 4.924 4.550 0.000 0.000 0.323 485 Y C -0.022 175.951 175.900 0.121 0.000 1.291 485 Y CA -0.803 57.380 58.100 0.138 0.000 1.345 485 Y CB 1.242 39.758 38.460 0.092 0.000 1.320 485 Y HN 0.440 nan 8.280 nan 0.000 0.518 486 Q N 0.123 120.051 119.800 0.212 0.000 2.482 486 Q HA 0.473 4.813 4.340 0.000 0.000 0.286 486 Q C -1.644 174.332 176.000 -0.040 0.000 1.007 486 Q CA -1.001 54.848 55.803 0.076 0.000 0.801 486 Q CB 1.934 30.701 28.738 0.049 0.000 1.455 486 Q HN 0.595 nan 8.270 nan 0.000 0.398 487 I N 1.579 122.100 120.570 -0.083 0.000 2.710 487 I HA -0.023 4.147 4.170 0.000 0.000 0.286 487 I C 0.194 176.106 176.117 -0.342 0.000 1.181 487 I CA 0.088 61.289 61.300 -0.165 0.000 1.430 487 I CB 0.287 38.211 38.000 -0.128 0.000 1.367 487 I HN 0.584 nan 8.210 nan 0.000 0.577 488 E N 8.688 128.584 120.200 -0.506 0.000 2.585 488 E HA -0.058 4.292 4.350 0.000 0.000 0.252 488 E C -1.342 174.577 176.600 -1.136 0.000 0.981 488 E CA -0.929 54.840 56.400 -1.052 0.000 0.943 488 E CB 0.222 29.084 29.700 -1.396 0.000 0.923 488 E HN 0.446 nan 8.360 nan 0.000 0.486 489 P HA -0.217 nan 4.420 nan 0.000 0.216 489 P C 0.869 177.616 177.300 -0.921 0.000 1.150 489 P CA 1.581 64.060 63.100 -1.034 0.000 0.843 489 P CB -0.150 30.681 31.700 -1.447 0.000 0.787 490 W N 1.168 121.960 121.300 -0.846 0.000 2.468 490 W HA 0.063 4.723 4.660 0.000 0.000 0.262 490 W C 1.726 178.281 176.519 0.060 0.000 1.241 490 W CA 0.689 57.891 57.345 -0.239 0.000 1.232 490 W CB -1.492 27.985 29.460 0.028 0.000 1.124 490 W HN -0.075 nan 8.180 nan 0.000 0.597 491 K N -0.219 120.067 120.400 -0.191 0.000 2.262 491 K HA 0.012 4.332 4.320 0.000 0.000 0.200 491 K C 0.772 177.383 176.600 0.019 0.000 1.049 491 K CA 1.248 57.532 56.287 -0.005 0.000 0.979 491 K CB 0.015 32.452 32.500 -0.105 0.000 0.773 491 K HN 0.006 nan 8.250 nan 0.000 0.474 492 T N 0.846 115.367 114.554 -0.053 0.000 3.390 492 T HA 0.162 4.512 4.350 0.000 0.000 0.351 492 T C -1.826 172.942 174.700 0.113 0.000 1.759 492 T CA -0.558 61.547 62.100 0.010 0.000 1.561 492 T CB -0.246 68.587 68.868 -0.058 0.000 1.011 492 T HN 0.199 nan 8.240 nan 0.000 0.689 493 H N 2.165 121.293 119.070 0.096 0.000 3.029 493 H HA 0.480 5.036 4.556 0.000 0.000 0.358 493 H C -1.254 174.196 175.328 0.204 0.000 1.129 493 H CA -0.695 55.425 56.048 0.121 0.000 1.230 493 H CB 1.051 30.920 29.762 0.179 0.000 1.827 493 H HN 0.433 nan 8.280 nan 0.000 0.530 494 I N 5.090 125.371 120.570 -0.480 0.000 2.291 494 I HA 0.138 4.309 4.170 0.000 0.000 0.290 494 I C -0.219 175.647 176.117 -0.417 0.000 1.050 494 I CA -0.405 60.744 61.300 -0.252 0.000 1.245 494 I CB 0.263 38.164 38.000 -0.164 0.000 1.405 494 I HN 0.428 nan 8.210 nan 0.000 0.478 495 W N 4.769 125.962 121.300 -0.178 0.000 1.779 495 W HA 0.200 4.860 4.660 0.000 0.000 0.409 495 W C 0.942 177.448 176.519 -0.022 0.000 1.812 495 W CA 0.070 57.392 57.345 -0.038 0.000 1.994 495 W CB 0.119 29.632 29.460 0.088 0.000 1.415 495 W HN 0.391 nan 8.180 nan 0.000 0.745 496 Q N 0.000 119.989 119.800 0.314 0.000 2.315 496 Q HA 0.000 4.340 4.340 0.000 0.000 0.214 496 Q CA 0.000 55.904 55.803 0.168 0.000 1.022 496 Q CB 0.000 28.825 28.738 0.146 0.000 1.108 496 Q HN 0.000 nan 8.270 nan 0.000 0.481