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 3dqs_1_A DATA FIRST_RESID 67 DATA SEQUENCE GPKFPRVKNW ELGSITYDTL CAQSQQDGPC TPRRCLGSLV LPXXXXXXXX DATA SEQUENCE XXXPPAEQLL SQARDFINQY YSSIKRSGSQ AHEERLQEVE AEVASTGTYH DATA SEQUENCE LRESELVFGA KQAWRNAPRC VGRIQWGKLQ VFDARDCSSA QEMFTYICNH DATA SEQUENCE IKYATNRGNL RSAITVFPQR APGRGDFRIW NSQLVRYAGY RQQDGSVRGD DATA SEQUENCE PANVEITELC IQHGWTPGNG RFDVLPLLLQ APDEAPELFV LPPELVLEVP DATA SEQUENCE LEHPTLEWFA ALGLRWYALP AVSNMLLEIG GLEFSAAPFS GWYMSTEIGT DATA SEQUENCE RNLCDPHRYN ILEDVAVCMD LDTRTTSSLW KDKAAVEINL AVLHSFQLAK DATA SEQUENCE VTIVDHHAAT VSFMKHLDNE QKARGGCPAD WAWIVPPISG SLTPVFHQEM DATA SEQUENCE VNYILSPAFR YQPDPW 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 67 G HA2 0.000 nan 3.960 nan 0.000 0.244 67 G HA3 0.000 3.966 3.960 0.009 0.000 0.244 67 G C 0.000 174.853 174.900 -0.079 0.000 0.946 67 G CA 0.000 45.087 45.100 -0.022 0.000 0.502 68 P HA 0.291 nan 4.420 nan 0.000 0.264 68 P C -0.391 176.910 177.300 0.002 0.000 1.193 68 P CA 0.231 63.214 63.100 -0.195 0.000 0.763 68 P CB 0.511 31.830 31.700 -0.635 0.000 0.810 69 K N 3.106 123.480 120.400 -0.044 0.000 3.216 69 K HA 0.223 4.548 4.320 0.009 0.000 0.277 69 K C -0.520 175.790 176.600 -0.484 0.000 1.246 69 K CA 0.096 56.254 56.287 -0.214 0.000 1.227 69 K CB -0.500 31.823 32.500 -0.295 0.000 1.487 69 K HN 0.383 nan 8.250 nan 0.000 0.341 70 F N -0.295 119.691 119.950 0.059 0.000 2.643 70 F HA 0.326 4.858 4.527 0.010 0.000 0.314 70 F C -2.254 173.647 175.800 0.168 0.000 1.096 70 F CA -3.013 55.040 58.000 0.087 0.000 0.953 70 F CB 0.990 40.044 39.000 0.090 0.000 1.345 70 F HN -0.059 nan 8.300 nan 0.000 0.468 71 P HA 0.086 nan 4.420 nan 0.000 0.264 71 P C -0.919 176.467 177.300 0.144 0.000 1.193 71 P CA -0.112 63.097 63.100 0.182 0.000 0.763 71 P CB 0.464 32.244 31.700 0.134 0.000 0.810 72 R N 3.143 123.658 120.500 0.024 0.000 2.254 72 R HA 0.416 4.761 4.340 0.009 0.000 0.318 72 R C -1.231 174.960 176.300 -0.182 0.000 1.031 72 R CA -0.533 55.385 56.100 -0.302 0.000 0.905 72 R CB 0.493 30.641 30.300 -0.253 0.000 1.050 72 R HN 0.217 nan 8.270 nan 0.000 0.456 73 V N 4.951 124.728 119.914 -0.228 0.000 2.459 73 V HA 0.385 4.511 4.120 0.009 0.000 0.295 73 V C -0.293 175.725 176.094 -0.126 0.000 1.029 73 V CA -0.747 61.498 62.300 -0.092 0.000 0.874 73 V CB 1.487 33.294 31.823 -0.027 0.000 0.985 73 V HN 0.746 nan 8.190 nan 0.000 0.438 74 K N 3.679 124.037 120.400 -0.070 0.000 2.316 74 K HA 0.436 4.762 4.320 0.009 0.000 0.251 74 K C -0.749 175.803 176.600 -0.080 0.000 0.934 74 K CA -0.705 55.474 56.287 -0.180 0.000 0.802 74 K CB 1.658 33.912 32.500 -0.411 0.000 1.171 74 K HN 0.725 nan 8.250 nan 0.000 0.426 75 N N 4.050 122.680 118.700 -0.117 0.000 2.437 75 N HA 0.106 4.851 4.740 0.009 0.000 0.259 75 N C -0.358 175.137 175.510 -0.024 0.000 0.983 75 N CA -0.366 52.717 53.050 0.056 0.000 0.937 75 N CB 0.504 39.033 38.487 0.070 0.000 1.122 75 N HN 0.684 nan 8.380 nan 0.000 0.499 76 W N 2.147 123.527 121.300 0.134 0.000 2.800 76 W HA 0.134 4.799 4.660 0.009 0.000 0.249 76 W C 2.048 178.609 176.519 0.070 0.000 1.294 76 W CA -0.115 57.296 57.345 0.109 0.000 1.402 76 W CB 0.283 29.829 29.460 0.143 0.000 1.126 76 W HN 0.669 nan 8.180 nan 0.000 0.652 77 E N 0.487 120.826 120.200 0.231 0.000 2.060 77 E HA -0.104 4.252 4.350 0.009 0.000 0.189 77 E C 1.751 178.379 176.600 0.046 0.000 0.974 77 E CA 0.988 57.427 56.400 0.064 0.000 0.808 77 E CB -0.234 29.475 29.700 0.016 0.000 0.768 77 E HN 0.243 nan 8.360 nan 0.000 0.453 78 L N -0.680 120.571 121.223 0.045 0.000 2.477 78 L HA 0.288 4.634 4.340 0.009 0.000 0.220 78 L C 1.575 178.426 176.870 -0.032 0.000 1.106 78 L CA 0.437 55.282 54.840 0.009 0.000 0.851 78 L CB 0.285 42.354 42.059 0.017 0.000 0.994 78 L HN 0.426 nan 8.230 nan 0.000 0.462 79 G N 0.705 109.459 108.800 -0.078 0.000 2.155 79 G HA2 -0.310 3.655 3.960 0.009 0.000 0.257 79 G HA3 -0.310 3.655 3.960 0.009 0.000 0.257 79 G C 0.383 175.186 174.900 -0.162 0.000 0.983 79 G CA 0.470 45.473 45.100 -0.161 0.000 0.676 79 G HN 0.478 nan 8.290 nan 0.000 0.528 80 S N -0.159 115.469 115.700 -0.120 0.000 2.601 80 S HA 0.807 5.283 4.470 0.009 0.000 0.271 80 S C 0.103 174.620 174.600 -0.139 0.000 1.305 80 S CA -0.721 57.419 58.200 -0.100 0.000 1.022 80 S CB 2.126 65.293 63.200 -0.054 0.000 0.940 80 S HN 0.470 nan 8.310 nan 0.000 0.525 81 I N 1.908 122.403 120.570 -0.125 0.000 2.608 81 I HA 0.579 4.755 4.170 0.009 0.000 0.295 81 I C 0.152 176.179 176.117 -0.150 0.000 1.049 81 I CA -0.285 60.910 61.300 -0.175 0.000 1.063 81 I CB 1.734 39.620 38.000 -0.191 0.000 1.248 81 I HN 1.058 nan 8.210 nan 0.000 0.424 82 T N 1.526 115.945 114.554 -0.224 0.000 2.864 82 T HA 0.706 5.061 4.350 0.009 0.000 0.299 82 T C -1.378 173.134 174.700 -0.314 0.000 1.166 82 T CA -0.716 61.299 62.100 -0.143 0.000 1.007 82 T CB 2.005 70.836 68.868 -0.061 0.000 1.219 82 T HN 0.271 nan 8.240 nan 0.000 0.506 83 Y N 0.150 120.436 120.300 -0.024 0.000 2.409 83 Y HA 0.513 5.068 4.550 0.009 0.000 0.343 83 Y C -0.089 175.782 175.900 -0.049 0.000 0.973 83 Y CA -0.925 57.170 58.100 -0.007 0.000 1.064 83 Y CB 1.819 40.273 38.460 -0.010 0.000 1.207 83 Y HN 0.728 nan 8.280 nan 0.000 0.452 84 D N 1.731 122.208 120.400 0.129 0.000 2.313 84 D HA 0.112 4.757 4.640 0.009 0.000 0.239 84 D C 0.579 176.872 176.300 -0.012 0.000 1.142 84 D CA 0.071 54.106 54.000 0.059 0.000 0.847 84 D CB 1.367 42.235 40.800 0.113 0.000 1.082 84 D HN 0.800 nan 8.370 nan 0.000 0.480 85 T N 1.083 115.510 114.554 -0.211 0.000 3.001 85 T HA -0.036 4.319 4.350 0.009 0.000 0.251 85 T C 1.814 176.426 174.700 -0.148 0.000 1.040 85 T CA -0.258 61.587 62.100 -0.425 0.000 0.985 85 T CB 0.111 68.500 68.868 -0.798 0.000 1.011 85 T HN 0.254 nan 8.240 nan 0.000 0.509 86 L N 2.560 123.720 121.223 -0.105 0.000 2.131 86 L HA 0.049 4.395 4.340 0.009 0.000 0.210 86 L C 2.597 179.348 176.870 -0.199 0.000 1.092 86 L CA 1.249 56.051 54.840 -0.063 0.000 0.759 86 L CB -0.973 41.120 42.059 0.057 0.000 0.903 86 L HN 0.654 nan 8.230 nan 0.000 0.435 87 C N -1.421 117.578 119.300 -0.502 0.000 2.409 87 C HA 0.010 4.476 4.460 0.009 0.000 0.284 87 C C 2.769 177.546 174.990 -0.355 0.000 1.354 87 C CA 0.203 58.638 59.018 -0.971 0.000 1.787 87 C CB -2.308 24.855 27.740 -0.962 0.000 1.900 87 C HN 0.589 nan 8.230 nan 0.000 0.520 88 A N 0.344 123.095 122.820 -0.114 0.000 2.121 88 A HA -0.113 4.212 4.320 0.009 0.000 0.218 88 A C 2.277 179.852 177.584 -0.015 0.000 1.154 88 A CA 1.344 53.377 52.037 -0.007 0.000 0.679 88 A CB -0.579 18.496 19.000 0.125 0.000 0.795 88 A HN 0.820 nan 8.150 nan 0.000 0.458 89 Q N -0.222 119.562 119.800 -0.027 0.000 2.451 89 Q HA 0.072 4.417 4.340 0.009 0.000 0.206 89 Q C 0.572 176.591 176.000 0.032 0.000 0.947 89 Q CA 0.125 55.936 55.803 0.014 0.000 0.937 89 Q CB 0.075 28.831 28.738 0.031 0.000 1.025 89 Q HN 0.497 nan 8.270 nan 0.000 0.511 90 S N 0.621 116.328 115.700 0.012 0.000 2.516 90 S HA 0.022 4.497 4.470 0.009 0.000 0.282 90 S C 0.533 175.160 174.600 0.045 0.000 1.286 90 S CA 0.017 58.255 58.200 0.063 0.000 1.066 90 S CB 0.655 63.904 63.200 0.081 0.000 0.884 90 S HN 0.260 nan 8.310 nan 0.000 0.491 91 Q N 2.460 122.292 119.800 0.054 0.000 2.171 91 Q HA 0.242 4.588 4.340 0.009 0.000 0.218 91 Q C -0.139 175.884 176.000 0.039 0.000 0.822 91 Q CA -0.049 55.779 55.803 0.042 0.000 0.987 91 Q CB 0.733 29.498 28.738 0.045 0.000 1.144 91 Q HN 0.744 nan 8.270 nan 0.000 0.494 92 Q N 0.807 120.635 119.800 0.046 0.000 2.323 92 Q HA 0.197 4.543 4.340 0.009 0.000 0.271 92 Q C -1.509 174.518 176.000 0.046 0.000 1.048 92 Q CA -0.687 55.139 55.803 0.039 0.000 0.792 92 Q CB 1.557 30.314 28.738 0.032 0.000 1.280 92 Q HN -0.016 nan 8.270 nan 0.000 0.441 93 D N 2.231 122.653 120.400 0.036 0.000 2.302 93 D HA 0.309 4.954 4.640 0.009 0.000 0.248 93 D C 0.211 176.534 176.300 0.040 0.000 1.094 93 D CA 0.165 54.188 54.000 0.039 0.000 0.897 93 D CB 1.463 42.280 40.800 0.029 0.000 1.200 93 D HN 0.692 nan 8.370 nan 0.000 0.429 94 G N 0.830 109.659 108.800 0.048 0.000 2.543 94 G HA2 0.330 4.295 3.960 0.009 0.000 0.267 94 G HA3 0.330 4.295 3.960 0.009 0.000 0.267 94 G C -1.379 173.543 174.900 0.037 0.000 1.406 94 G CA -0.556 44.570 45.100 0.043 0.000 1.048 94 G HN 0.369 nan 8.290 nan 0.000 0.548 95 P HA 0.178 nan 4.420 nan 0.000 0.245 95 P C 0.252 177.572 177.300 0.032 0.000 1.203 95 P CA -0.018 63.102 63.100 0.034 0.000 0.792 95 P CB 0.162 31.884 31.700 0.037 0.000 0.997 96 C N 0.755 120.077 119.300 0.036 0.000 2.422 96 C HA 0.655 5.121 4.460 0.009 0.000 0.364 96 C C 0.983 175.989 174.990 0.027 0.000 1.251 96 C CA 0.071 59.108 59.018 0.032 0.000 2.441 96 C CB 0.985 28.747 27.740 0.037 0.000 2.393 96 C HN 0.397 nan 8.230 nan 0.000 0.606 97 T N -2.437 112.130 114.554 0.021 0.000 2.816 97 T HA 0.410 4.766 4.350 0.009 0.000 0.299 97 T C -2.569 172.139 174.700 0.014 0.000 1.230 97 T CA -1.010 61.100 62.100 0.017 0.000 1.007 97 T CB 1.167 70.043 68.868 0.013 0.000 1.289 97 T HN 0.263 nan 8.240 nan 0.000 0.508 98 P HA 0.074 nan 4.420 nan 0.000 0.221 98 P C 1.388 178.692 177.300 0.007 0.000 1.145 98 P CA 0.606 63.711 63.100 0.008 0.000 0.795 98 P CB 0.145 31.848 31.700 0.005 0.000 0.775 99 R N -0.440 120.064 120.500 0.007 0.000 2.161 99 R HA 0.017 4.363 4.340 0.009 0.000 0.213 99 R C 0.542 176.846 176.300 0.006 0.000 1.055 99 R CA 0.642 56.746 56.100 0.006 0.000 0.996 99 R CB 0.248 30.551 30.300 0.006 0.000 0.901 99 R HN 0.047 nan 8.270 nan 0.000 0.456 100 R N -0.602 119.903 120.500 0.009 0.000 2.579 100 R HA 0.114 4.460 4.340 0.009 0.000 0.260 100 R C -1.904 174.404 176.300 0.014 0.000 1.103 100 R CA -0.729 55.376 56.100 0.009 0.000 0.942 100 R CB -0.144 30.162 30.300 0.009 0.000 1.251 100 R HN 0.057 nan 8.270 nan 0.000 0.450 101 C N 4.407 123.714 119.300 0.013 0.000 2.325 101 C HA 0.541 5.007 4.460 0.009 0.000 0.347 101 C C 0.858 175.863 174.990 0.025 0.000 1.263 101 C CA -0.622 58.407 59.018 0.019 0.000 1.806 101 C CB -0.893 26.853 27.740 0.011 0.000 2.405 101 C HN 0.759 nan 8.230 nan 0.000 0.537 102 L N 5.843 127.086 121.223 0.034 0.000 3.017 102 L HA 0.279 4.625 4.340 0.009 0.000 0.255 102 L C 2.064 178.968 176.870 0.057 0.000 1.247 102 L CA 0.202 55.066 54.840 0.041 0.000 1.038 102 L CB -0.116 41.965 42.059 0.038 0.000 1.380 102 L HN 1.022 nan 8.230 nan 0.000 0.548 103 G N 0.260 109.096 108.800 0.060 0.000 2.501 103 G HA2 -0.261 3.704 3.960 0.009 0.000 0.220 103 G HA3 -0.261 3.704 3.960 0.009 0.000 0.220 103 G C 1.543 176.515 174.900 0.120 0.000 1.114 103 G CA 1.142 46.291 45.100 0.082 0.000 0.757 103 G HN 0.510 nan 8.290 nan 0.000 0.559 104 S N -0.675 115.092 115.700 0.112 0.000 2.575 104 S HA 0.354 4.830 4.470 0.009 0.000 0.215 104 S C 0.528 175.219 174.600 0.152 0.000 0.966 104 S CA -0.509 57.778 58.200 0.145 0.000 0.911 104 S CB 0.006 63.269 63.200 0.106 0.000 0.780 104 S HN -0.036 nan 8.310 nan 0.000 0.514 105 L N 2.177 123.475 121.223 0.125 0.000 2.331 105 L HA 0.315 4.661 4.340 0.009 0.000 0.278 105 L C 1.374 178.338 176.870 0.157 0.000 1.106 105 L CA 0.078 54.986 54.840 0.114 0.000 0.824 105 L CB 1.013 43.116 42.059 0.074 0.000 1.142 105 L HN -0.001 nan 8.230 nan 0.000 0.443 106 V N 3.663 123.681 119.914 0.174 0.000 2.358 106 V HA -0.127 3.998 4.120 0.009 0.000 0.246 106 V C 0.835 176.997 176.094 0.114 0.000 1.047 106 V CA 1.223 63.659 62.300 0.226 0.000 1.035 106 V CB -0.364 31.583 31.823 0.207 0.000 0.658 106 V HN 0.472 nan 8.190 nan 0.000 0.452 107 L N 1.469 122.724 121.223 0.053 0.000 2.329 107 L HA 0.440 4.786 4.340 0.009 0.000 0.279 107 L C -1.572 175.335 176.870 0.063 0.000 1.014 107 L CA -1.710 53.149 54.840 0.031 0.000 0.814 107 L CB 1.271 43.304 42.059 -0.043 0.000 1.257 107 L HN 0.158 nan 8.230 nan 0.000 0.424 121 P HA 0.179 nan 4.420 nan 0.000 0.242 121 P C 1.080 178.392 177.300 0.019 0.000 1.116 121 P CA 0.732 63.840 63.100 0.014 0.000 0.954 121 P CB -0.269 31.438 31.700 0.012 0.000 0.908 122 A N 4.753 127.586 122.820 0.021 0.000 2.054 122 A HA -0.293 4.032 4.320 0.009 0.000 0.223 122 A C 2.053 179.648 177.584 0.019 0.000 1.169 122 A CA 2.016 54.068 52.037 0.026 0.000 0.655 122 A CB -0.611 18.403 19.000 0.024 0.000 0.812 122 A HN 0.665 nan 8.150 nan 0.000 0.462 123 E N -0.401 119.808 120.200 0.015 0.000 2.023 123 E HA -0.352 4.004 4.350 0.009 0.000 0.196 123 E C 2.182 178.791 176.600 0.015 0.000 1.003 123 E CA 1.514 57.921 56.400 0.011 0.000 0.809 123 E CB -0.687 29.019 29.700 0.010 0.000 0.755 123 E HN 0.805 nan 8.360 nan 0.000 0.449 124 Q N 0.569 120.380 119.800 0.018 0.000 2.119 124 Q HA -0.152 4.194 4.340 0.009 0.000 0.201 124 Q C 2.397 178.417 176.000 0.032 0.000 0.972 124 Q CA 1.005 56.822 55.803 0.023 0.000 0.847 124 Q CB -0.066 28.684 28.738 0.020 0.000 0.903 124 Q HN 0.339 nan 8.270 nan 0.000 0.433 125 L N 0.644 121.889 121.223 0.038 0.000 2.012 125 L HA -0.200 4.145 4.340 0.009 0.000 0.210 125 L C 2.126 179.027 176.870 0.053 0.000 1.073 125 L CA 1.612 56.489 54.840 0.062 0.000 0.748 125 L CB -0.891 41.213 42.059 0.076 0.000 0.891 125 L HN 0.352 nan 8.230 nan 0.000 0.431 126 L N -0.309 120.924 121.223 0.017 0.000 2.042 126 L HA -0.217 4.129 4.340 0.009 0.000 0.210 126 L C 2.817 179.684 176.870 -0.005 0.000 1.076 126 L CA 2.277 57.102 54.840 -0.024 0.000 0.749 126 L CB -1.268 40.777 42.059 -0.023 0.000 0.893 126 L HN 0.711 nan 8.230 nan 0.000 0.432 127 S N -1.387 114.324 115.700 0.018 0.000 2.383 127 S HA -0.234 4.241 4.470 0.009 0.000 0.227 127 S C 1.797 176.432 174.600 0.058 0.000 1.026 127 S CA 0.996 59.214 58.200 0.031 0.000 0.981 127 S CB -0.316 62.901 63.200 0.028 0.000 0.818 127 S HN 0.527 nan 8.310 nan 0.000 0.472 128 Q N 0.873 120.716 119.800 0.071 0.000 2.123 128 Q HA 0.140 4.486 4.340 0.009 0.000 0.199 128 Q C 2.609 178.710 176.000 0.168 0.000 0.966 128 Q CA 1.243 57.112 55.803 0.110 0.000 0.845 128 Q CB -0.468 28.328 28.738 0.096 0.000 0.907 128 Q HN 0.779 nan 8.270 nan 0.000 0.439 129 A N 1.206 124.104 122.820 0.129 0.000 1.898 129 A HA -0.178 4.147 4.320 0.009 0.000 0.216 129 A C 1.973 179.633 177.584 0.127 0.000 1.181 129 A CA 1.153 53.262 52.037 0.121 0.000 0.620 129 A CB -0.313 18.518 19.000 -0.282 0.000 0.819 129 A HN 0.194 nan 8.150 nan 0.000 0.442 130 R N -0.607 119.930 120.500 0.062 0.000 2.075 130 R HA -0.146 4.200 4.340 0.009 0.000 0.232 130 R C 2.006 178.383 176.300 0.129 0.000 1.126 130 R CA 1.577 57.722 56.100 0.076 0.000 0.963 130 R CB -0.474 29.849 30.300 0.037 0.000 0.858 130 R HN 0.712 nan 8.270 nan 0.000 0.435 131 D N 0.204 120.687 120.400 0.137 0.000 2.123 131 D HA -0.214 4.431 4.640 0.009 0.000 0.196 131 D C 1.650 178.064 176.300 0.189 0.000 0.992 131 D CA 1.002 55.089 54.000 0.146 0.000 0.833 131 D CB -0.055 40.828 40.800 0.138 0.000 0.954 131 D HN 0.133 nan 8.370 nan 0.000 0.455 132 F N 0.787 120.823 119.950 0.143 0.000 2.146 132 F HA -0.067 4.465 4.527 0.008 0.000 0.298 132 F C 1.916 177.856 175.800 0.233 0.000 1.096 132 F CA 1.008 59.126 58.000 0.196 0.000 1.275 132 F CB -0.225 38.900 39.000 0.207 0.000 1.008 132 F HN -0.003 nan 8.300 nan 0.000 0.480 133 I N 0.890 121.452 120.570 -0.014 0.000 2.286 133 I HA -0.288 3.888 4.170 0.009 0.000 0.248 133 I C 1.900 178.023 176.117 0.010 0.000 1.115 133 I CA 1.135 62.433 61.300 -0.004 0.000 1.392 133 I CB -1.589 36.530 38.000 0.198 0.000 1.065 133 I HN 0.231 nan 8.210 nan 0.000 0.418 134 N N 0.878 119.608 118.700 0.050 0.000 2.188 134 N HA -0.171 4.575 4.740 0.009 0.000 0.184 134 N C 1.835 177.282 175.510 -0.104 0.000 1.018 134 N CA 0.995 54.052 53.050 0.012 0.000 0.858 134 N CB -0.315 38.249 38.487 0.127 0.000 0.989 134 N HN 0.486 nan 8.380 nan 0.000 0.426 135 Q N -0.507 119.241 119.800 -0.087 0.000 2.050 135 Q HA -0.183 4.163 4.340 0.009 0.000 0.202 135 Q C 1.777 177.562 176.000 -0.360 0.000 0.980 135 Q CA 1.294 57.053 55.803 -0.074 0.000 0.840 135 Q CB -0.261 28.560 28.738 0.139 0.000 0.898 135 Q HN 0.451 nan 8.270 nan 0.000 0.424 136 Y N 0.048 119.916 120.300 -0.720 0.000 2.114 136 Y HA -0.297 4.258 4.550 0.008 0.000 0.284 136 Y C 1.769 177.128 175.900 -0.901 0.000 1.143 136 Y CA 1.661 59.086 58.100 -1.125 0.000 1.135 136 Y CB -0.520 37.358 38.460 -0.970 0.000 0.980 136 Y HN 0.088 nan 8.280 nan 0.000 0.499 137 Y N -0.338 119.576 120.300 -0.645 0.000 2.274 137 Y HA -0.204 4.352 4.550 0.010 0.000 0.290 137 Y C 2.754 178.341 175.900 -0.521 0.000 1.145 137 Y CA 1.672 59.378 58.100 -0.656 0.000 1.203 137 Y CB -0.497 37.474 38.460 -0.816 0.000 0.984 137 Y HN 0.094 nan 8.280 nan 0.000 0.533 138 S N -0.719 114.780 115.700 -0.336 0.000 2.383 138 S HA -0.199 4.277 4.470 0.009 0.000 0.227 138 S C 2.241 176.672 174.600 -0.280 0.000 1.026 138 S CA 1.324 59.392 58.200 -0.220 0.000 0.981 138 S CB -0.568 62.552 63.200 -0.133 0.000 0.818 138 S HN 0.630 nan 8.310 nan 0.000 0.472 139 S N 2.279 117.708 115.700 -0.452 0.000 2.447 139 S HA -0.024 4.451 4.470 0.009 0.000 0.233 139 S C 1.549 175.889 174.600 -0.434 0.000 1.006 139 S CA 0.927 58.872 58.200 -0.425 0.000 0.957 139 S CB -0.752 62.039 63.200 -0.681 0.000 0.773 139 S HN 0.728 nan 8.310 nan 0.000 0.507 140 I N -3.363 116.860 120.570 -0.579 0.000 3.941 140 I HA 0.425 4.600 4.170 0.009 0.000 0.335 140 I C -0.344 175.612 176.117 -0.268 0.000 1.402 140 I CA -0.566 60.463 61.300 -0.452 0.000 1.112 140 I CB 0.008 37.628 38.000 -0.633 0.000 1.043 140 I HN -0.127 nan 8.210 nan 0.000 0.395 141 K N 2.106 122.375 120.400 -0.218 0.000 3.125 141 K HA -0.140 4.186 4.320 0.009 0.000 0.268 141 K C -0.181 176.378 176.600 -0.069 0.000 1.078 141 K CA 0.479 56.695 56.287 -0.119 0.000 0.775 141 K CB -1.658 30.788 32.500 -0.089 0.000 1.253 141 K HN 0.570 nan 8.250 nan 0.000 0.486 142 R N -0.731 119.740 120.500 -0.047 0.000 2.668 142 R HA 0.100 4.445 4.340 0.009 0.000 0.435 142 R C 0.086 176.452 176.300 0.110 0.000 1.059 142 R CA -0.327 55.805 56.100 0.054 0.000 1.073 142 R CB 0.820 31.203 30.300 0.138 0.000 1.401 142 R HN 0.159 nan 8.270 nan 0.000 0.590 143 S N 0.002 115.740 115.700 0.063 0.000 2.516 143 S HA 0.349 4.824 4.470 0.009 0.000 0.282 143 S C 1.321 176.032 174.600 0.185 0.000 1.286 143 S CA 1.347 59.639 58.200 0.152 0.000 1.066 143 S CB 0.365 63.606 63.200 0.068 0.000 0.884 143 S HN 0.747 nan 8.310 nan 0.000 0.491 144 G N 3.233 112.212 108.800 0.298 0.000 2.195 144 G HA2 -0.272 3.693 3.960 0.009 0.000 0.246 144 G HA3 -0.272 3.693 3.960 0.009 0.000 0.246 144 G C 0.301 175.191 174.900 -0.017 0.000 0.984 144 G CA 0.334 45.452 45.100 0.029 0.000 0.633 144 G HN 1.577 nan 8.290 nan 0.000 0.525 145 S N -0.420 115.301 115.700 0.035 0.000 2.617 145 S HA 0.444 4.920 4.470 0.009 0.000 0.259 145 S C 1.340 175.911 174.600 -0.048 0.000 1.301 145 S CA 0.794 58.996 58.200 0.002 0.000 0.984 145 S CB 1.438 64.663 63.200 0.041 0.000 0.954 145 S HN 0.521 nan 8.310 nan 0.000 0.572 146 Q N 0.586 120.364 119.800 -0.035 0.000 2.084 146 Q HA -0.140 4.206 4.340 0.009 0.000 0.202 146 Q C 2.266 178.229 176.000 -0.061 0.000 0.978 146 Q CA 1.639 57.413 55.803 -0.048 0.000 0.844 146 Q CB -0.777 27.948 28.738 -0.022 0.000 0.898 146 Q HN 0.937 nan 8.270 nan 0.000 0.426 147 A N 0.048 122.850 122.820 -0.031 0.000 1.933 147 A HA -0.243 4.083 4.320 0.009 0.000 0.218 147 A C 1.872 179.309 177.584 -0.245 0.000 1.175 147 A CA 1.705 53.730 52.037 -0.019 0.000 0.628 147 A CB -1.019 18.062 19.000 0.134 0.000 0.814 147 A HN 0.713 nan 8.150 nan 0.000 0.444 148 H N -0.752 117.932 119.070 -0.642 0.000 2.321 148 H HA -0.119 4.443 4.556 0.010 0.000 0.300 148 H C 1.905 176.909 175.328 -0.539 0.000 1.087 148 H CA 1.263 56.618 56.048 -1.155 0.000 1.319 148 H CB 0.129 29.418 29.762 -0.788 0.000 1.379 148 H HN 0.397 nan 8.280 nan 0.000 0.501 149 E N 0.756 120.762 120.200 -0.323 0.000 2.110 149 E HA -0.150 4.205 4.350 0.009 0.000 0.193 149 E C 2.108 178.614 176.600 -0.156 0.000 0.988 149 E CA 0.903 57.136 56.400 -0.280 0.000 0.804 149 E CB -0.138 29.433 29.700 -0.215 0.000 0.745 149 E HN 0.695 nan 8.360 nan 0.000 0.458 150 E N 0.447 120.579 120.200 -0.114 0.000 2.072 150 E HA -0.180 4.176 4.350 0.009 0.000 0.191 150 E C 2.188 178.773 176.600 -0.025 0.000 0.985 150 E CA 0.800 57.168 56.400 -0.053 0.000 0.801 150 E CB -0.051 29.635 29.700 -0.024 0.000 0.750 150 E HN -0.064 nan 8.360 nan 0.000 0.452 151 R N 1.314 121.798 120.500 -0.026 0.000 2.081 151 R HA -0.091 4.255 4.340 0.009 0.000 0.235 151 R C 2.128 178.450 176.300 0.037 0.000 1.131 151 R CA 1.126 57.259 56.100 0.055 0.000 0.960 151 R CB -0.578 29.817 30.300 0.159 0.000 0.856 151 R HN 0.138 nan 8.270 nan 0.000 0.436 152 L N 0.136 121.355 121.223 -0.006 0.000 2.042 152 L HA -0.212 4.134 4.340 0.009 0.000 0.210 152 L C 2.571 179.417 176.870 -0.040 0.000 1.076 152 L CA 1.726 56.552 54.840 -0.022 0.000 0.749 152 L CB -0.445 41.570 42.059 -0.072 0.000 0.893 152 L HN 0.334 nan 8.230 nan 0.000 0.432 153 Q N -0.562 119.212 119.800 -0.043 0.000 2.119 153 Q HA -0.248 4.097 4.340 0.009 0.000 0.201 153 Q C 2.130 178.122 176.000 -0.012 0.000 0.972 153 Q CA 1.483 57.266 55.803 -0.033 0.000 0.847 153 Q CB -0.029 28.689 28.738 -0.034 0.000 0.903 153 Q HN 0.486 nan 8.270 nan 0.000 0.433 154 E N 0.098 120.301 120.200 0.005 0.000 2.047 154 E HA -0.170 4.185 4.350 0.009 0.000 0.191 154 E C 1.926 178.546 176.600 0.033 0.000 0.987 154 E CA 1.130 57.549 56.400 0.031 0.000 0.799 154 E CB 0.188 29.922 29.700 0.056 0.000 0.752 154 E HN 0.115 nan 8.360 nan 0.000 0.449 155 V N 1.365 121.279 119.914 0.001 0.000 2.343 155 V HA -0.244 3.881 4.120 0.009 0.000 0.247 155 V C 2.078 178.114 176.094 -0.097 0.000 1.051 155 V CA 2.182 64.432 62.300 -0.084 0.000 1.036 155 V CB -0.515 31.151 31.823 -0.262 0.000 0.654 155 V HN 0.301 nan 8.190 nan 0.000 0.451 156 E N 0.347 120.502 120.200 -0.074 0.000 2.077 156 E HA -0.199 4.156 4.350 0.009 0.000 0.193 156 E C 2.328 178.921 176.600 -0.012 0.000 0.989 156 E CA 1.345 57.715 56.400 -0.051 0.000 0.800 156 E CB -0.362 29.312 29.700 -0.043 0.000 0.746 156 E HN 0.604 nan 8.360 nan 0.000 0.452 157 A N 1.388 124.209 122.820 0.002 0.000 1.902 157 A HA -0.266 4.060 4.320 0.009 0.000 0.217 157 A C 2.085 179.693 177.584 0.040 0.000 1.181 157 A CA 1.736 53.784 52.037 0.019 0.000 0.623 157 A CB -0.479 18.533 19.000 0.020 0.000 0.818 157 A HN 0.276 nan 8.150 nan 0.000 0.443 158 E N -0.298 119.939 120.200 0.063 0.000 2.077 158 E HA -0.130 4.226 4.350 0.009 0.000 0.193 158 E C 1.799 178.468 176.600 0.114 0.000 0.989 158 E CA 1.456 57.920 56.400 0.107 0.000 0.800 158 E CB -0.113 29.693 29.700 0.177 0.000 0.746 158 E HN 0.305 nan 8.360 nan 0.000 0.452 159 V N 1.124 121.093 119.914 0.093 0.000 2.358 159 V HA -0.216 3.909 4.120 0.009 0.000 0.246 159 V C 2.436 178.564 176.094 0.057 0.000 1.047 159 V CA 1.554 63.907 62.300 0.088 0.000 1.035 159 V CB -0.736 31.117 31.823 0.049 0.000 0.658 159 V HN 0.456 nan 8.190 nan 0.000 0.452 160 A N 0.995 123.837 122.820 0.037 0.000 1.873 160 A HA -0.274 4.051 4.320 0.009 0.000 0.218 160 A C 2.540 180.144 177.584 0.033 0.000 1.193 160 A CA 2.863 54.916 52.037 0.027 0.000 0.629 160 A CB -0.860 18.151 19.000 0.018 0.000 0.826 160 A HN 0.697 nan 8.150 nan 0.000 0.447 161 S N -1.716 114.008 115.700 0.040 0.000 2.446 161 S HA -0.046 4.430 4.470 0.009 0.000 0.225 161 S C 1.608 176.237 174.600 0.047 0.000 1.016 161 S CA 1.603 59.827 58.200 0.039 0.000 0.943 161 S CB -0.522 62.701 63.200 0.037 0.000 0.786 161 S HN 0.854 nan 8.310 nan 0.000 0.508 162 T N -4.294 110.298 114.554 0.064 0.000 2.959 162 T HA 0.563 4.918 4.350 0.009 0.000 0.254 162 T C 1.599 176.341 174.700 0.069 0.000 1.003 162 T CA 0.802 62.944 62.100 0.071 0.000 0.950 162 T CB 0.246 69.172 68.868 0.097 0.000 1.090 162 T HN 1.149 nan 8.240 nan 0.000 0.503 163 G N 0.340 109.182 108.800 0.070 0.000 2.213 163 G HA2 -0.178 3.788 3.960 0.009 0.000 0.236 163 G HA3 -0.178 3.788 3.960 0.009 0.000 0.236 163 G C 0.216 175.163 174.900 0.079 0.000 0.991 163 G CA 0.511 45.648 45.100 0.061 0.000 0.629 163 G HN 0.988 nan 8.290 nan 0.000 0.517 164 T N -1.182 113.438 114.554 0.111 0.000 2.654 164 T HA 0.756 5.112 4.350 0.009 0.000 0.289 164 T C -1.094 173.763 174.700 0.261 0.000 1.062 164 T CA 0.429 62.607 62.100 0.130 0.000 1.041 164 T CB 1.537 70.403 68.868 -0.004 0.000 1.417 164 T HN 1.501 nan 8.240 nan 0.000 0.510 165 Y N -0.946 119.347 120.300 -0.010 0.000 2.725 165 Y HA 0.818 5.373 4.550 0.009 0.000 0.333 165 Y C -1.656 174.228 175.900 -0.027 0.000 1.242 165 Y CA -1.231 56.928 58.100 0.099 0.000 1.059 165 Y CB 0.863 39.374 38.460 0.085 0.000 1.306 165 Y HN 0.735 nan 8.280 nan 0.000 0.454 166 H N 0.647 119.725 119.070 0.013 0.000 2.690 166 H HA 0.643 5.204 4.556 0.009 0.000 0.368 166 H C -1.049 174.295 175.328 0.027 0.000 1.150 166 H CA -0.891 55.105 56.048 -0.087 0.000 1.174 166 H CB 1.975 31.737 29.762 0.001 0.000 1.684 166 H HN 0.731 nan 8.280 nan 0.000 0.538 167 L N 2.013 123.280 121.223 0.074 0.000 2.375 167 L HA 0.483 4.828 4.340 0.009 0.000 0.271 167 L C 0.688 177.620 176.870 0.104 0.000 1.107 167 L CA -0.692 54.221 54.840 0.122 0.000 0.806 167 L CB 0.796 42.895 42.059 0.066 0.000 1.146 167 L HN 0.408 nan 8.230 nan 0.000 0.447 168 R N 0.818 121.359 120.500 0.068 0.000 2.637 168 R HA 0.041 4.386 4.340 0.009 0.000 0.269 168 R C 1.114 177.408 176.300 -0.010 0.000 1.089 168 R CA -0.419 55.694 56.100 0.023 0.000 1.177 168 R CB 0.770 31.061 30.300 -0.015 0.000 1.091 168 R HN 0.676 nan 8.270 nan 0.000 0.540 169 E N 0.998 121.194 120.200 -0.007 0.000 2.049 169 E HA -0.268 4.088 4.350 0.009 0.000 0.198 169 E C 1.529 178.118 176.600 -0.019 0.000 1.007 169 E CA 2.353 58.743 56.400 -0.017 0.000 0.809 169 E CB 0.029 29.725 29.700 -0.007 0.000 0.749 169 E HN 0.679 nan 8.360 nan 0.000 0.450 170 S N 0.026 115.717 115.700 -0.016 0.000 2.419 170 S HA -0.163 4.312 4.470 0.009 0.000 0.233 170 S C 1.730 176.339 174.600 0.015 0.000 1.016 170 S CA 1.255 59.474 58.200 0.032 0.000 0.974 170 S CB -0.283 62.971 63.200 0.090 0.000 0.786 170 S HN 0.344 nan 8.310 nan 0.000 0.492 171 E N 0.867 120.953 120.200 -0.190 0.000 2.072 171 E HA -0.035 4.321 4.350 0.009 0.000 0.191 171 E C 2.018 178.740 176.600 0.204 0.000 0.985 171 E CA 1.035 57.351 56.400 -0.140 0.000 0.801 171 E CB -0.314 29.299 29.700 -0.146 0.000 0.750 171 E HN 0.441 nan 8.360 nan 0.000 0.452 172 L N 0.870 122.118 121.223 0.042 0.000 2.046 172 L HA -0.154 4.192 4.340 0.009 0.000 0.208 172 L C 2.197 179.045 176.870 -0.036 0.000 1.077 172 L CA 1.361 56.161 54.840 -0.067 0.000 0.747 172 L CB -0.310 41.650 42.059 -0.166 0.000 0.896 172 L HN -0.065 nan 8.230 nan 0.000 0.432 173 V N -0.377 119.550 119.914 0.023 0.000 2.287 173 V HA -0.323 3.803 4.120 0.009 0.000 0.248 173 V C 2.349 178.530 176.094 0.144 0.000 1.053 173 V CA 2.232 64.559 62.300 0.045 0.000 1.027 173 V CB -0.985 30.872 31.823 0.057 0.000 0.646 173 V HN 0.580 nan 8.190 nan 0.000 0.447 174 F N 2.070 122.099 119.950 0.133 0.000 2.134 174 F HA -0.050 4.482 4.527 0.008 0.000 0.299 174 F C 2.153 178.083 175.800 0.218 0.000 1.097 174 F CA 1.706 59.834 58.000 0.213 0.000 1.264 174 F CB -0.932 38.266 39.000 0.329 0.000 1.001 174 F HN 0.119 nan 8.300 nan 0.000 0.479 175 G N -0.214 108.646 108.800 0.099 0.000 2.418 175 G HA2 -0.204 3.762 3.960 0.009 0.000 0.217 175 G HA3 -0.204 3.762 3.960 0.009 0.000 0.217 175 G C 1.831 176.579 174.900 -0.252 0.000 1.158 175 G CA 0.852 45.893 45.100 -0.098 0.000 0.771 175 G HN 0.639 nan 8.290 nan 0.000 0.545 176 A N 0.858 123.565 122.820 -0.189 0.000 1.902 176 A HA -0.003 4.323 4.320 0.009 0.000 0.217 176 A C 2.310 179.868 177.584 -0.044 0.000 1.181 176 A CA 1.960 53.892 52.037 -0.175 0.000 0.623 176 A CB -0.348 18.587 19.000 -0.108 0.000 0.818 176 A HN 0.377 nan 8.150 nan 0.000 0.443 177 K N -0.815 119.605 120.400 0.033 0.000 2.097 177 K HA -0.128 4.197 4.320 0.009 0.000 0.205 177 K C 2.288 178.929 176.600 0.069 0.000 1.050 177 K CA 1.265 57.682 56.287 0.218 0.000 0.938 177 K CB -0.138 32.549 32.500 0.312 0.000 0.718 177 K HN 0.366 nan 8.250 nan 0.000 0.442 178 Q N 0.247 119.895 119.800 -0.252 0.000 2.124 178 Q HA -0.088 4.258 4.340 0.009 0.000 0.202 178 Q C 2.169 178.001 176.000 -0.280 0.000 0.977 178 Q CA 1.536 57.096 55.803 -0.404 0.000 0.850 178 Q CB -0.283 28.108 28.738 -0.579 0.000 0.901 178 Q HN 0.328 nan 8.270 nan 0.000 0.429 179 A N 0.057 122.703 122.820 -0.289 0.000 1.933 179 A HA -0.183 4.143 4.320 0.009 0.000 0.218 179 A C 1.815 179.356 177.584 -0.071 0.000 1.175 179 A CA 1.383 53.184 52.037 -0.393 0.000 0.628 179 A CB -0.895 17.531 19.000 -0.956 0.000 0.814 179 A HN 0.534 nan 8.150 nan 0.000 0.444 180 W N 0.950 122.211 121.300 -0.065 0.000 2.378 180 W HA -0.106 4.558 4.660 0.007 0.000 0.313 180 W C 2.334 178.823 176.519 -0.050 0.000 1.197 180 W CA 1.471 58.864 57.345 0.080 0.000 1.304 180 W CB -0.771 28.744 29.460 0.093 0.000 1.148 180 W HN 0.367 nan 8.180 nan 0.000 0.494 181 R N 0.430 120.869 120.500 -0.101 0.000 2.117 181 R HA -0.212 4.134 4.340 0.009 0.000 0.243 181 R C 1.629 177.772 176.300 -0.261 0.000 1.143 181 R CA 1.955 57.779 56.100 -0.461 0.000 0.968 181 R CB -0.597 29.110 30.300 -0.989 0.000 0.863 181 R HN 0.105 nan 8.270 nan 0.000 0.444 182 N N 0.357 118.950 118.700 -0.178 0.000 2.463 182 N HA 0.007 4.752 4.740 0.009 0.000 0.181 182 N C -0.233 175.229 175.510 -0.080 0.000 1.078 182 N CA 0.759 53.728 53.050 -0.134 0.000 0.902 182 N CB 0.195 38.600 38.487 -0.137 0.000 0.970 182 N HN 0.196 nan 8.380 nan 0.000 0.451 183 A N 2.171 124.991 122.820 0.001 0.000 2.500 183 A HA 0.174 4.500 4.320 0.009 0.000 0.285 183 A C -1.227 176.339 177.584 -0.030 0.000 1.183 183 A CA -0.852 51.190 52.037 0.008 0.000 0.851 183 A CB 0.155 19.216 19.000 0.101 0.000 1.091 183 A HN 0.039 nan 8.150 nan 0.000 0.521 184 P HA -0.129 nan 4.420 nan 0.000 0.219 184 P C 1.086 178.337 177.300 -0.081 0.000 1.146 184 P CA 1.159 64.202 63.100 -0.095 0.000 0.808 184 P CB 0.156 31.764 31.700 -0.153 0.000 0.779 185 R N -2.176 118.243 120.500 -0.135 0.000 2.317 185 R HA 0.153 4.498 4.340 0.009 0.000 0.208 185 R C 0.223 176.522 176.300 -0.002 0.000 0.914 185 R CA -0.145 55.888 56.100 -0.112 0.000 1.060 185 R CB -0.347 29.703 30.300 -0.416 0.000 1.015 185 R HN 0.183 nan 8.270 nan 0.000 0.498 186 C N 0.538 119.831 119.300 -0.011 0.000 2.285 186 C HA 0.235 4.701 4.460 0.009 0.000 0.335 186 C C 1.833 176.782 174.990 -0.068 0.000 1.267 186 C CA -0.655 58.379 59.018 0.027 0.000 1.762 186 C CB 0.640 28.465 27.740 0.143 0.000 2.365 186 C HN 0.267 nan 8.230 nan 0.000 0.527 187 V N 5.989 125.816 119.914 -0.144 0.000 3.541 187 V HA 0.213 4.339 4.120 0.009 0.000 0.267 187 V C 1.776 177.882 176.094 0.020 0.000 1.213 187 V CA 1.986 64.097 62.300 -0.315 0.000 1.149 187 V CB -0.112 31.544 31.823 -0.279 0.000 0.822 187 V HN 1.083 nan 8.190 nan 0.000 0.462 188 G N -0.594 108.256 108.800 0.082 0.000 3.371 188 G HA2 0.038 4.003 3.960 0.009 0.000 0.248 188 G HA3 0.038 4.003 3.960 0.009 0.000 0.248 188 G C 1.227 176.177 174.900 0.083 0.000 1.161 188 G CA -0.338 44.831 45.100 0.115 0.000 0.796 188 G HN 0.440 nan 8.290 nan 0.000 0.539 189 R N -0.337 120.135 120.500 -0.047 0.000 2.328 189 R HA 0.033 4.378 4.340 0.009 0.000 0.207 189 R C 2.033 177.953 176.300 -0.634 0.000 1.056 189 R CA 0.133 55.926 56.100 -0.512 0.000 1.016 189 R CB -0.159 29.770 30.300 -0.618 0.000 0.872 189 R HN 0.424 nan 8.270 nan 0.000 0.471 190 I N 1.145 121.536 120.570 -0.300 0.000 2.335 190 I HA -0.266 3.910 4.170 0.009 0.000 0.251 190 I C 1.599 177.642 176.117 -0.123 0.000 1.129 190 I CA 1.626 62.891 61.300 -0.059 0.000 1.402 190 I CB 0.090 38.135 38.000 0.076 0.000 1.069 190 I HN 0.102 nan 8.210 nan 0.000 0.424 191 Q N 0.268 119.943 119.800 -0.207 0.000 2.444 191 Q HA -0.113 4.233 4.340 0.009 0.000 0.206 191 Q C 1.754 177.332 176.000 -0.704 0.000 0.948 191 Q CA 0.654 56.306 55.803 -0.251 0.000 0.946 191 Q CB -0.488 28.265 28.738 0.026 0.000 1.027 191 Q HN 0.836 nan 8.270 nan 0.000 0.513 192 W N 0.302 120.901 121.300 -1.168 0.000 2.313 192 W HA -0.155 4.512 4.660 0.012 0.000 0.293 192 W C 1.209 177.411 176.519 -0.527 0.000 1.216 192 W CA 1.246 57.744 57.345 -1.411 0.000 1.223 192 W CB -1.289 27.552 29.460 -1.032 0.000 1.138 192 W HN 0.086 nan 8.180 nan 0.000 0.535 193 G N 1.142 109.152 108.800 -1.316 0.000 2.598 193 G HA2 -0.180 3.786 3.960 0.009 0.000 0.215 193 G HA3 -0.180 3.786 3.960 0.009 0.000 0.215 193 G C 0.792 175.444 174.900 -0.413 0.000 1.131 193 G CA 0.119 44.564 45.100 -1.092 0.000 0.785 193 G HN 0.270 nan 8.290 nan 0.000 0.539 194 K N 0.176 120.434 120.400 -0.237 0.000 2.419 194 K HA 0.531 4.857 4.320 0.009 0.000 0.244 194 K C -1.676 175.030 176.600 0.177 0.000 1.045 194 K CA -0.708 55.568 56.287 -0.019 0.000 1.004 194 K CB 0.402 32.915 32.500 0.022 0.000 1.376 194 K HN 0.057 nan 8.250 nan 0.000 0.460 195 L N 3.141 124.453 121.223 0.149 0.000 2.476 195 L HA 0.323 4.669 4.340 0.009 0.000 0.269 195 L C -1.360 175.505 176.870 -0.008 0.000 0.965 195 L CA -0.392 54.556 54.840 0.180 0.000 0.845 195 L CB 1.947 44.199 42.059 0.321 0.000 1.259 195 L HN 0.476 nan 8.230 nan 0.000 0.403 196 Q N 3.387 123.120 119.800 -0.112 0.000 2.307 196 Q HA 0.446 4.792 4.340 0.009 0.000 0.259 196 Q C -1.479 174.193 176.000 -0.548 0.000 0.998 196 Q CA 0.007 55.567 55.803 -0.405 0.000 0.923 196 Q CB 1.017 29.398 28.738 -0.595 0.000 1.196 196 Q HN 0.511 nan 8.270 nan 0.000 0.416 197 V N 6.612 126.240 119.914 -0.477 0.000 2.318 197 V HA 0.321 4.446 4.120 0.009 0.000 0.271 197 V C -0.552 175.266 176.094 -0.459 0.000 1.030 197 V CA -0.518 61.562 62.300 -0.368 0.000 0.844 197 V CB -0.106 31.601 31.823 -0.194 0.000 1.015 197 V HN 0.617 nan 8.190 nan 0.000 0.460 198 F N 2.863 122.679 119.950 -0.223 0.000 2.421 198 F HA 0.322 4.852 4.527 0.005 0.000 0.358 198 F C 0.703 176.333 175.800 -0.285 0.000 1.115 198 F CA -0.738 57.120 58.000 -0.236 0.000 1.160 198 F CB 0.701 39.562 39.000 -0.232 0.000 1.123 198 F HN 0.404 nan 8.300 nan 0.000 0.508 199 D N 3.349 123.705 120.400 -0.072 0.000 2.339 199 D HA 0.376 5.021 4.640 0.009 0.000 0.241 199 D C -0.045 176.077 176.300 -0.297 0.000 1.183 199 D CA 0.078 53.969 54.000 -0.182 0.000 0.859 199 D CB 1.198 41.931 40.800 -0.112 0.000 1.067 199 D HN 0.621 nan 8.370 nan 0.000 0.484 200 A N 4.685 127.169 122.820 -0.560 0.000 2.701 200 A HA 0.170 4.496 4.320 0.009 0.000 0.297 200 A C 1.379 178.655 177.584 -0.512 0.000 1.197 200 A CA -0.428 51.051 52.037 -0.930 0.000 0.963 200 A CB 0.039 17.912 19.000 -1.878 0.000 1.175 200 A HN 0.545 nan 8.150 nan 0.000 0.531 201 R N 0.538 120.881 120.500 -0.262 0.000 2.339 201 R HA -0.053 4.292 4.340 0.009 0.000 0.199 201 R C 0.528 176.802 176.300 -0.043 0.000 1.018 201 R CA 1.101 57.132 56.100 -0.115 0.000 1.036 201 R CB 0.108 30.401 30.300 -0.013 0.000 0.899 201 R HN 0.674 nan 8.270 nan 0.000 0.473 202 D N -1.019 119.368 120.400 -0.022 0.000 2.360 202 D HA -0.058 4.587 4.640 0.009 0.000 0.210 202 D C 0.432 176.810 176.300 0.130 0.000 1.047 202 D CA -0.322 53.719 54.000 0.069 0.000 0.854 202 D CB -0.548 40.312 40.800 0.100 0.000 0.936 202 D HN -0.028 nan 8.370 nan 0.000 0.514 203 C N 2.104 121.475 119.300 0.118 0.000 2.523 203 C HA 0.295 4.760 4.460 0.009 0.000 0.406 203 C C 1.581 176.753 174.990 0.302 0.000 1.449 203 C CA 0.757 59.932 59.018 0.261 0.000 1.588 203 C CB -0.852 27.073 27.740 0.309 0.000 2.514 203 C HN 0.464 nan 8.230 nan 0.000 0.606 204 S N 2.693 118.600 115.700 0.346 0.000 2.819 204 S HA 0.347 4.822 4.470 0.009 0.000 0.249 204 S C -0.094 174.672 174.600 0.277 0.000 1.030 204 S CA 0.211 58.631 58.200 0.365 0.000 1.052 204 S CB -0.227 63.111 63.200 0.229 0.000 1.017 204 S HN 1.322 nan 8.310 nan 0.000 0.576 205 S N -0.461 115.409 115.700 0.283 0.000 2.588 205 S HA 0.805 5.280 4.470 0.009 0.000 0.269 205 S C 0.796 175.491 174.600 0.160 0.000 1.157 205 S CA -0.314 57.984 58.200 0.163 0.000 0.824 205 S CB 0.931 64.210 63.200 0.131 0.000 1.126 205 S HN 0.523 nan 8.310 nan 0.000 0.464 206 A N 0.839 123.720 122.820 0.102 0.000 1.933 206 A HA -0.070 4.255 4.320 0.009 0.000 0.218 206 A C 2.120 179.729 177.584 0.041 0.000 1.175 206 A CA 2.199 54.293 52.037 0.095 0.000 0.628 206 A CB -1.231 17.871 19.000 0.170 0.000 0.814 206 A HN 0.933 nan 8.150 nan 0.000 0.444 207 Q N 0.246 120.143 119.800 0.161 0.000 2.084 207 Q HA -0.206 4.139 4.340 0.009 0.000 0.202 207 Q C 1.890 177.905 176.000 0.025 0.000 0.978 207 Q CA 2.397 58.268 55.803 0.114 0.000 0.844 207 Q CB -0.392 28.476 28.738 0.216 0.000 0.898 207 Q HN 0.751 nan 8.270 nan 0.000 0.426 208 E N -0.862 119.393 120.200 0.092 0.000 2.106 208 E HA -0.154 4.202 4.350 0.009 0.000 0.192 208 E C 1.920 178.643 176.600 0.204 0.000 0.984 208 E CA 1.049 57.521 56.400 0.120 0.000 0.806 208 E CB -0.099 29.719 29.700 0.196 0.000 0.750 208 E HN 0.468 nan 8.360 nan 0.000 0.458 209 M N -0.171 119.530 119.600 0.169 0.000 2.108 209 M HA -0.166 4.320 4.480 0.009 0.000 0.261 209 M C 2.108 178.458 176.300 0.083 0.000 1.066 209 M CA 1.461 56.827 55.300 0.111 0.000 1.107 209 M CB -0.324 32.128 32.600 -0.246 0.000 1.356 209 M HN 0.225 nan 8.290 nan 0.000 0.406 210 F N 0.790 120.542 119.950 -0.329 0.000 2.134 210 F HA -0.221 4.312 4.527 0.012 0.000 0.299 210 F C 2.242 177.922 175.800 -0.200 0.000 1.097 210 F CA 1.671 59.402 58.000 -0.449 0.000 1.264 210 F CB -0.150 38.212 39.000 -1.062 0.000 1.001 210 F HN 0.043 nan 8.300 nan 0.000 0.479 211 T N -0.343 114.063 114.554 -0.245 0.000 2.684 211 T HA -0.258 4.098 4.350 0.009 0.000 0.267 211 T C 1.589 176.112 174.700 -0.295 0.000 1.036 211 T CA 1.973 63.877 62.100 -0.327 0.000 1.148 211 T CB -0.861 67.854 68.868 -0.255 0.000 0.863 211 T HN 0.366 nan 8.240 nan 0.000 0.436 212 Y N 0.902 121.143 120.300 -0.099 0.000 2.165 212 Y HA -0.090 4.465 4.550 0.008 0.000 0.286 212 Y C 2.336 178.169 175.900 -0.111 0.000 1.155 212 Y CA 0.875 58.922 58.100 -0.087 0.000 1.164 212 Y CB -0.393 38.102 38.460 0.058 0.000 0.978 212 Y HN 0.162 nan 8.280 nan 0.000 0.513 213 I N -1.494 119.135 120.570 0.098 0.000 2.226 213 I HA -0.358 3.817 4.170 0.009 0.000 0.245 213 I C 2.308 178.336 176.117 -0.147 0.000 1.100 213 I CA 0.931 62.224 61.300 -0.012 0.000 1.374 213 I CB -0.494 37.494 38.000 -0.020 0.000 1.057 213 I HN 0.324 nan 8.210 nan 0.000 0.413 214 C N 0.669 119.758 119.300 -0.352 0.000 2.425 214 C HA -0.123 4.343 4.460 0.009 0.000 0.277 214 C C 2.623 177.499 174.990 -0.190 0.000 1.280 214 C CA 0.794 59.605 59.018 -0.345 0.000 1.744 214 C CB -1.372 26.040 27.740 -0.546 0.000 1.989 214 C HN 0.543 nan 8.230 nan 0.000 0.491 215 N N -0.141 118.437 118.700 -0.205 0.000 2.188 215 N HA -0.125 4.620 4.740 0.009 0.000 0.184 215 N C 1.438 176.848 175.510 -0.166 0.000 1.018 215 N CA 1.306 54.236 53.050 -0.199 0.000 0.858 215 N CB -0.745 37.565 38.487 -0.296 0.000 0.989 215 N HN 0.748 nan 8.380 nan 0.000 0.426 216 H N 0.703 119.611 119.070 -0.270 0.000 2.290 216 H HA 0.029 4.591 4.556 0.011 0.000 0.298 216 H C 2.132 177.470 175.328 0.017 0.000 1.087 216 H CA 1.686 57.633 56.048 -0.168 0.000 1.291 216 H CB -0.081 29.630 29.762 -0.085 0.000 1.369 216 H HN 0.076 nan 8.280 nan 0.000 0.492 217 I N 0.654 121.360 120.570 0.227 0.000 2.208 217 I HA -0.286 3.890 4.170 0.009 0.000 0.245 217 I C 2.420 178.611 176.117 0.123 0.000 1.097 217 I CA 1.462 62.859 61.300 0.162 0.000 1.363 217 I CB -0.245 37.774 38.000 0.033 0.000 1.051 217 I HN 0.329 nan 8.210 nan 0.000 0.413 218 K N -0.152 120.288 120.400 0.067 0.000 2.025 218 K HA -0.226 4.099 4.320 0.009 0.000 0.207 218 K C 2.253 178.904 176.600 0.086 0.000 1.049 218 K CA 1.706 58.022 56.287 0.050 0.000 0.933 218 K CB -0.409 32.096 32.500 0.009 0.000 0.714 218 K HN 0.242 nan 8.250 nan 0.000 0.438 219 Y N 1.466 121.773 120.300 0.013 0.000 2.145 219 Y HA -0.237 4.315 4.550 0.004 0.000 0.286 219 Y C 2.209 178.167 175.900 0.096 0.000 1.145 219 Y CA 1.516 59.658 58.100 0.069 0.000 1.148 219 Y CB -0.364 38.181 38.460 0.142 0.000 0.981 219 Y HN 0.049 nan 8.280 nan 0.000 0.507 220 A N -0.837 122.180 122.820 0.327 0.000 1.898 220 A HA -0.156 4.170 4.320 0.009 0.000 0.216 220 A C 2.210 179.884 177.584 0.151 0.000 1.181 220 A CA 2.213 54.408 52.037 0.264 0.000 0.620 220 A CB -1.271 17.918 19.000 0.314 0.000 0.819 220 A HN 0.511 nan 8.150 nan 0.000 0.442 221 T N -0.167 114.462 114.554 0.125 0.000 2.737 221 T HA -0.103 4.253 4.350 0.009 0.000 0.265 221 T C 1.108 175.828 174.700 0.032 0.000 1.038 221 T CA 1.189 63.346 62.100 0.095 0.000 1.144 221 T CB -0.440 68.478 68.868 0.084 0.000 0.866 221 T HN 0.654 nan 8.240 nan 0.000 0.434 222 N N 1.284 119.971 118.700 -0.020 0.000 2.702 222 N HA -0.268 4.478 4.740 0.009 0.000 0.255 222 N C -0.259 175.227 175.510 -0.040 0.000 0.983 222 N CA 0.572 53.579 53.050 -0.072 0.000 0.768 222 N CB -1.322 37.078 38.487 -0.146 0.000 0.918 222 N HN 0.498 nan 8.380 nan 0.000 0.540 223 R N -2.216 118.273 120.500 -0.018 0.000 3.641 223 R HA -0.206 4.139 4.340 0.009 0.000 0.286 223 R C 1.283 177.573 176.300 -0.017 0.000 1.153 223 R CA 1.137 57.227 56.100 -0.017 0.000 0.775 223 R CB -1.938 28.346 30.300 -0.026 0.000 1.215 223 R HN 0.964 nan 8.270 nan 0.000 0.474 224 G N -0.424 108.376 108.800 0.001 0.000 2.232 224 G HA2 -0.334 3.631 3.960 0.009 0.000 0.226 224 G HA3 -0.334 3.631 3.960 0.009 0.000 0.226 224 G C -0.053 174.845 174.900 -0.004 0.000 0.996 224 G CA 0.081 45.183 45.100 0.003 0.000 0.626 224 G HN 0.398 nan 8.290 nan 0.000 0.509 225 N N 1.298 119.983 118.700 -0.026 0.000 3.229 225 N HA 0.489 5.235 4.740 0.009 0.000 0.275 225 N C 0.417 175.910 175.510 -0.028 0.000 1.225 225 N CA -0.522 52.495 53.050 -0.056 0.000 1.119 225 N CB -0.218 38.228 38.487 -0.067 0.000 1.392 225 N HN 0.198 nan 8.380 nan 0.000 0.520 226 L N 1.754 122.993 121.223 0.027 0.000 2.543 226 L HA 0.102 4.448 4.340 0.009 0.000 0.285 226 L C 0.816 177.827 176.870 0.234 0.000 1.236 226 L CA 0.995 55.931 54.840 0.161 0.000 0.871 226 L CB 0.147 42.397 42.059 0.319 0.000 1.121 226 L HN 0.363 nan 8.230 nan 0.000 0.501 227 R N 1.299 121.953 120.500 0.257 0.000 2.575 227 R HA 0.427 4.772 4.340 0.009 0.000 0.293 227 R C -0.636 175.856 176.300 0.319 0.000 0.983 227 R CA -0.684 55.594 56.100 0.297 0.000 0.887 227 R CB 1.700 32.082 30.300 0.136 0.000 1.184 227 R HN 0.567 nan 8.270 nan 0.000 0.445 228 S N 1.508 117.384 115.700 0.295 0.000 2.549 228 S HA 0.438 4.913 4.470 0.009 0.000 0.286 228 S C -0.260 174.391 174.600 0.085 0.000 1.314 228 S CA -0.109 58.157 58.200 0.108 0.000 1.062 228 S CB 1.087 64.314 63.200 0.045 0.000 0.865 228 S HN 0.691 nan 8.310 nan 0.000 0.498 229 A N 2.831 125.661 122.820 0.016 0.000 2.612 229 A HA 0.815 5.140 4.320 0.009 0.000 0.293 229 A C -1.275 176.347 177.584 0.063 0.000 1.075 229 A CA -0.662 51.329 52.037 -0.078 0.000 0.680 229 A CB 1.174 20.049 19.000 -0.209 0.000 1.279 229 A HN 0.799 nan 8.150 nan 0.000 0.411 230 I N 0.373 120.983 120.570 0.067 0.000 2.722 230 I HA 0.670 4.845 4.170 0.009 0.000 0.295 230 I C -1.170 175.070 176.117 0.206 0.000 1.161 230 I CA -0.138 61.317 61.300 0.258 0.000 1.032 230 I CB 2.435 40.539 38.000 0.174 0.000 1.244 230 I HN 0.595 nan 8.210 nan 0.000 0.421 231 T N 6.244 120.937 114.554 0.230 0.000 2.786 231 T HA 0.455 4.811 4.350 0.009 0.000 0.283 231 T C -0.777 173.742 174.700 -0.301 0.000 0.992 231 T CA -0.362 61.722 62.100 -0.027 0.000 0.954 231 T CB 1.513 70.350 68.868 -0.051 0.000 0.934 231 T HN 0.270 nan 8.240 nan 0.000 0.440 232 V N 5.038 124.703 119.914 -0.416 0.000 2.350 232 V HA 0.485 4.610 4.120 0.009 0.000 0.276 232 V C -0.398 175.376 176.094 -0.534 0.000 1.028 232 V CA -0.769 61.288 62.300 -0.405 0.000 0.860 232 V CB 0.067 31.611 31.823 -0.465 0.000 0.990 232 V HN 0.713 nan 8.190 nan 0.000 0.453 233 F N 5.075 124.931 119.950 -0.158 0.000 2.380 233 F HA 0.514 5.048 4.527 0.011 0.000 0.319 233 F C -1.837 173.838 175.800 -0.209 0.000 1.113 233 F CA -2.499 55.318 58.000 -0.305 0.000 1.056 233 F CB 0.332 39.128 39.000 -0.341 0.000 1.289 233 F HN 0.295 nan 8.300 nan 0.000 0.515 234 P HA -0.038 nan 4.420 nan 0.000 0.263 234 P C -0.963 176.331 177.300 -0.009 0.000 1.175 234 P CA 0.010 63.024 63.100 -0.144 0.000 0.761 234 P CB 0.176 31.698 31.700 -0.296 0.000 0.794 235 Q N 3.536 123.257 119.800 -0.132 0.000 2.492 235 Q HA 0.141 4.486 4.340 0.009 0.000 0.238 235 Q C -0.261 175.604 176.000 -0.226 0.000 1.045 235 Q CA -0.355 55.127 55.803 -0.534 0.000 0.934 235 Q CB 0.502 28.593 28.738 -1.078 0.000 1.276 235 Q HN 0.332 nan 8.270 nan 0.000 0.521 236 R N 0.067 120.424 120.500 -0.238 0.000 2.570 236 R HA 0.342 4.687 4.340 0.009 0.000 0.277 236 R C -0.655 175.580 176.300 -0.108 0.000 1.039 236 R CA 0.340 56.382 56.100 -0.098 0.000 1.065 236 R CB 0.525 30.766 30.300 -0.097 0.000 0.964 236 R HN 0.671 nan 8.270 nan 0.000 0.428 237 A N 4.872 127.675 122.820 -0.029 0.000 2.350 237 A HA 0.518 4.844 4.320 0.009 0.000 0.324 237 A C -2.278 175.303 177.584 -0.005 0.000 1.118 237 A CA -1.920 50.106 52.037 -0.019 0.000 0.783 237 A CB 0.972 19.991 19.000 0.032 0.000 1.236 237 A HN 0.513 nan 8.150 nan 0.000 0.457 238 P HA 0.244 nan 4.420 nan 0.000 0.267 238 P C 0.664 177.972 177.300 0.014 0.000 1.205 238 P CA 1.412 64.514 63.100 0.003 0.000 0.765 238 P CB 0.707 32.412 31.700 0.008 0.000 0.828 239 G N 2.169 110.975 108.800 0.011 0.000 2.298 239 G HA2 -0.238 3.728 3.960 0.009 0.000 0.287 239 G HA3 -0.238 3.728 3.960 0.009 0.000 0.287 239 G C -0.022 174.888 174.900 0.016 0.000 1.075 239 G CA 0.123 45.232 45.100 0.014 0.000 0.960 239 G HN 0.908 nan 8.290 nan 0.000 0.502 240 R N -0.873 119.635 120.500 0.014 0.000 2.664 240 R HA 0.504 4.849 4.340 0.009 0.000 0.260 240 R C 0.565 176.869 176.300 0.006 0.000 1.062 240 R CA -0.182 55.926 56.100 0.013 0.000 0.902 240 R CB 0.435 30.752 30.300 0.028 0.000 1.258 240 R HN 0.840 nan 8.270 nan 0.000 0.465 241 G N 1.536 110.330 108.800 -0.010 0.000 2.594 241 G HA2 0.149 4.115 3.960 0.009 0.000 0.243 241 G HA3 0.149 4.115 3.960 0.009 0.000 0.243 241 G C -0.471 174.419 174.900 -0.016 0.000 1.229 241 G CA -0.302 44.789 45.100 -0.015 0.000 0.843 241 G HN 0.563 nan 8.290 nan 0.000 0.578 242 D N -0.550 119.858 120.400 0.013 0.000 2.329 242 D HA 0.313 4.958 4.640 0.009 0.000 0.246 242 D C -0.275 176.056 176.300 0.051 0.000 1.111 242 D CA 0.153 54.195 54.000 0.070 0.000 0.941 242 D CB 0.972 41.820 40.800 0.080 0.000 1.169 242 D HN 0.087 nan 8.370 nan 0.000 0.441 243 F N 1.016 120.992 119.950 0.042 0.000 2.396 243 F HA 0.359 4.892 4.527 0.010 0.000 0.343 243 F C 0.936 176.761 175.800 0.042 0.000 1.104 243 F CA -0.050 57.961 58.000 0.019 0.000 1.161 243 F CB 0.785 39.787 39.000 0.004 0.000 1.146 243 F HN -0.193 nan 8.300 nan 0.000 0.522 244 R N 3.658 124.279 120.500 0.201 0.000 2.626 244 R HA 0.498 4.843 4.340 0.009 0.000 0.274 244 R C -1.390 175.053 176.300 0.239 0.000 1.031 244 R CA -0.817 55.418 56.100 0.226 0.000 0.898 244 R CB 2.185 32.655 30.300 0.284 0.000 1.222 244 R HN 0.628 nan 8.270 nan 0.000 0.455 245 I N 1.995 122.695 120.570 0.216 0.000 2.339 245 I HA 0.183 4.359 4.170 0.009 0.000 0.290 245 I C 0.503 176.832 176.117 0.353 0.000 0.994 245 I CA -0.424 60.997 61.300 0.202 0.000 1.191 245 I CB 1.297 39.355 38.000 0.096 0.000 1.343 245 I HN 0.528 nan 8.210 nan 0.000 0.458 246 W N 3.499 124.835 121.300 0.060 0.000 2.418 246 W HA -0.059 4.606 4.660 0.009 0.000 0.292 246 W C 0.980 177.603 176.519 0.174 0.000 1.213 246 W CA 0.080 57.524 57.345 0.164 0.000 1.283 246 W CB -0.817 28.714 29.460 0.118 0.000 1.119 246 W HN 0.405 nan 8.180 nan 0.000 0.542 247 N N 0.078 118.939 118.700 0.269 0.000 2.441 247 N HA -0.003 4.742 4.740 0.009 0.000 0.251 247 N C 1.316 176.889 175.510 0.106 0.000 1.242 247 N CA 0.921 54.052 53.050 0.136 0.000 0.898 247 N CB 0.614 39.118 38.487 0.028 0.000 1.100 247 N HN -0.088 nan 8.380 nan 0.000 0.443 248 S N 0.327 116.079 115.700 0.087 0.000 2.461 248 S HA -0.005 4.470 4.470 0.009 0.000 0.228 248 S C 0.305 174.901 174.600 -0.008 0.000 1.005 248 S CA 0.565 58.801 58.200 0.060 0.000 0.942 248 S CB 0.081 63.334 63.200 0.090 0.000 0.776 248 S HN 0.641 nan 8.310 nan 0.000 0.514 249 Q N -0.696 119.085 119.800 -0.032 0.000 2.416 249 Q HA 0.489 4.835 4.340 0.009 0.000 0.281 249 Q C 0.133 176.050 176.000 -0.137 0.000 1.067 249 Q CA -0.565 55.181 55.803 -0.096 0.000 0.809 249 Q CB 1.961 30.673 28.738 -0.044 0.000 1.418 249 Q HN 0.109 nan 8.270 nan 0.000 0.411 250 L N 0.153 121.269 121.223 -0.179 0.000 2.141 250 L HA 0.013 4.359 4.340 0.009 0.000 0.209 250 L C 0.376 177.102 176.870 -0.240 0.000 1.094 250 L CA 0.901 55.635 54.840 -0.177 0.000 0.763 250 L CB 0.135 42.081 42.059 -0.188 0.000 0.908 250 L HN 0.267 nan 8.230 nan 0.000 0.437 251 V N 0.456 120.146 119.914 -0.374 0.000 2.487 251 V HA 0.496 4.622 4.120 0.009 0.000 0.298 251 V C -0.245 175.333 176.094 -0.861 0.000 1.028 251 V CA -0.661 61.239 62.300 -0.667 0.000 0.860 251 V CB 1.860 33.122 31.823 -0.935 0.000 0.991 251 V HN 0.202 nan 8.190 nan 0.000 0.427 252 R N 2.583 122.682 120.500 -0.668 0.000 2.663 252 R HA 0.484 4.829 4.340 0.009 0.000 0.267 252 R C -1.966 174.116 176.300 -0.364 0.000 1.038 252 R CA -0.898 54.938 56.100 -0.441 0.000 0.886 252 R CB 2.463 32.681 30.300 -0.135 0.000 1.249 252 R HN 0.569 nan 8.270 nan 0.000 0.463 253 Y N 0.471 120.772 120.300 0.001 0.000 2.310 253 Y HA 0.443 4.999 4.550 0.009 0.000 0.326 253 Y C 0.872 176.744 175.900 -0.047 0.000 1.151 253 Y CA -0.549 57.558 58.100 0.011 0.000 1.195 253 Y CB 1.262 39.788 38.460 0.110 0.000 1.210 253 Y HN 0.688 nan 8.280 nan 0.000 0.483 254 A N 1.664 124.524 122.820 0.066 0.000 2.466 254 A HA 0.540 4.866 4.320 0.009 0.000 0.238 254 A C 0.588 177.947 177.584 -0.375 0.000 1.074 254 A CA 0.316 52.233 52.037 -0.199 0.000 0.774 254 A CB -0.262 18.572 19.000 -0.277 0.000 1.015 254 A HN 0.944 nan 8.150 nan 0.000 0.498 255 G N 0.302 108.855 108.800 -0.411 0.000 2.644 255 G HA2 0.546 4.511 3.960 0.009 0.000 0.300 255 G HA3 0.546 4.511 3.960 0.009 0.000 0.300 255 G C -1.097 173.611 174.900 -0.320 0.000 1.395 255 G CA -0.276 44.630 45.100 -0.325 0.000 0.964 255 G HN 0.560 nan 8.290 nan 0.000 0.511 256 Y N 1.779 122.091 120.300 0.020 0.000 2.342 256 Y HA 0.452 5.007 4.550 0.009 0.000 0.338 256 Y C 0.843 176.742 175.900 -0.001 0.000 0.965 256 Y CA -1.180 56.932 58.100 0.019 0.000 1.159 256 Y CB 1.520 39.987 38.460 0.011 0.000 1.157 256 Y HN 0.432 nan 8.280 nan 0.000 0.486 257 R N 3.150 123.736 120.500 0.144 0.000 2.449 257 R HA 0.078 4.423 4.340 0.009 0.000 0.296 257 R C -0.273 176.070 176.300 0.072 0.000 1.047 257 R CA 0.053 56.201 56.100 0.079 0.000 1.018 257 R CB 0.183 30.519 30.300 0.060 0.000 0.962 257 R HN 0.560 nan 8.270 nan 0.000 0.428 258 Q N 2.354 122.182 119.800 0.048 0.000 2.171 258 Q HA 0.124 4.470 4.340 0.009 0.000 0.217 258 Q C 0.838 176.847 176.000 0.016 0.000 0.995 258 Q CA -0.505 55.316 55.803 0.030 0.000 0.979 258 Q CB 0.597 29.349 28.738 0.022 0.000 1.152 258 Q HN 0.599 nan 8.270 nan 0.000 0.525 259 Q N 0.821 120.625 119.800 0.006 0.000 1.993 259 Q HA -0.172 4.173 4.340 0.009 0.000 0.202 259 Q C 1.189 177.191 176.000 0.004 0.000 0.984 259 Q CA 2.025 57.829 55.803 0.001 0.000 0.837 259 Q CB -0.353 28.382 28.738 -0.005 0.000 0.902 259 Q HN 0.717 nan 8.270 nan 0.000 0.423 260 D N -1.043 119.359 120.400 0.003 0.000 2.403 260 D HA -0.003 4.642 4.640 0.009 0.000 0.227 260 D C 1.104 177.408 176.300 0.007 0.000 0.995 260 D CA 1.057 55.059 54.000 0.004 0.000 0.928 260 D CB -0.318 40.484 40.800 0.003 0.000 0.887 260 D HN 0.430 nan 8.370 nan 0.000 0.529 261 G N -0.504 108.302 108.800 0.010 0.000 2.195 261 G HA2 -0.309 3.656 3.960 0.009 0.000 0.246 261 G HA3 -0.309 3.656 3.960 0.009 0.000 0.246 261 G C 0.623 175.531 174.900 0.013 0.000 0.984 261 G CA 0.480 45.588 45.100 0.013 0.000 0.633 261 G HN 0.828 nan 8.290 nan 0.000 0.525 262 S N -1.042 114.665 115.700 0.011 0.000 2.596 262 S HA 0.766 5.241 4.470 0.009 0.000 0.262 262 S C 0.085 174.690 174.600 0.008 0.000 1.218 262 S CA 0.117 58.322 58.200 0.007 0.000 0.998 262 S CB 2.055 65.257 63.200 0.004 0.000 1.060 262 S HN 1.177 nan 8.310 nan 0.000 0.552 263 V N 0.678 120.588 119.914 -0.008 0.000 2.686 263 V HA 0.537 4.662 4.120 0.009 0.000 0.306 263 V C -0.320 175.751 176.094 -0.038 0.000 1.065 263 V CA -0.771 61.519 62.300 -0.016 0.000 0.894 263 V CB 1.768 33.564 31.823 -0.046 0.000 1.004 263 V HN 0.919 nan 8.190 nan 0.000 0.424 264 R N 2.630 123.135 120.500 0.008 0.000 2.294 264 R HA 0.698 5.043 4.340 0.009 0.000 0.319 264 R C 0.496 176.754 176.300 -0.070 0.000 0.984 264 R CA 0.882 56.985 56.100 0.006 0.000 0.861 264 R CB 1.201 31.569 30.300 0.113 0.000 1.104 264 R HN 1.253 nan 8.270 nan 0.000 0.451 265 G N 2.942 111.609 108.800 -0.222 0.000 2.445 265 G HA2 -0.241 3.724 3.960 0.009 0.000 0.212 265 G HA3 -0.241 3.724 3.960 0.009 0.000 0.212 265 G C -1.343 173.191 174.900 -0.610 0.000 1.217 265 G CA -0.202 44.696 45.100 -0.337 0.000 1.002 265 G HN 0.625 nan 8.290 nan 0.000 0.574 266 D N 1.528 121.708 120.400 -0.368 0.000 2.347 266 D HA 0.553 5.198 4.640 0.009 0.000 0.235 266 D C -1.011 175.187 176.300 -0.170 0.000 1.149 266 D CA -1.977 51.834 54.000 -0.314 0.000 0.850 266 D CB 1.455 42.374 40.800 0.198 0.000 1.061 266 D HN -0.003 nan 8.370 nan 0.000 0.487 267 P HA -0.065 nan 4.420 nan 0.000 0.222 267 P C 0.819 178.124 177.300 0.008 0.000 1.147 267 P CA 0.754 63.812 63.100 -0.070 0.000 0.790 267 P CB 0.287 31.955 31.700 -0.053 0.000 0.780 268 A N -0.321 122.524 122.820 0.042 0.000 2.067 268 A HA -0.106 4.219 4.320 0.009 0.000 0.219 268 A C 1.602 179.237 177.584 0.086 0.000 1.158 268 A CA 1.253 53.347 52.037 0.095 0.000 0.661 268 A CB -0.820 18.264 19.000 0.139 0.000 0.801 268 A HN 0.148 nan 8.150 nan 0.000 0.452 269 N N -0.174 118.560 118.700 0.056 0.000 2.279 269 N HA 0.145 4.891 4.740 0.009 0.000 0.226 269 N C 1.054 176.563 175.510 -0.001 0.000 1.126 269 N CA 0.130 53.201 53.050 0.036 0.000 0.846 269 N CB 0.671 39.176 38.487 0.029 0.000 1.050 269 N HN 0.200 nan 8.380 nan 0.000 0.502 270 V N 1.008 120.925 119.914 0.006 0.000 2.295 270 V HA -0.245 3.880 4.120 0.009 0.000 0.246 270 V C 2.468 178.568 176.094 0.010 0.000 1.049 270 V CA 1.870 64.172 62.300 0.004 0.000 1.024 270 V CB -0.257 31.577 31.823 0.019 0.000 0.648 270 V HN 0.387 nan 8.190 nan 0.000 0.447 271 E N -0.219 119.993 120.200 0.020 0.000 2.051 271 E HA -0.258 4.097 4.350 0.009 0.000 0.192 271 E C 2.136 178.667 176.600 -0.114 0.000 0.991 271 E CA 1.726 58.117 56.400 -0.016 0.000 0.799 271 E CB -0.216 29.520 29.700 0.059 0.000 0.748 271 E HN 0.471 nan 8.360 nan 0.000 0.449 272 I N 0.905 121.419 120.570 -0.093 0.000 2.286 272 I HA -0.212 3.964 4.170 0.009 0.000 0.248 272 I C 2.003 178.065 176.117 -0.092 0.000 1.115 272 I CA 1.602 62.813 61.300 -0.148 0.000 1.392 272 I CB -0.410 37.562 38.000 -0.047 0.000 1.065 272 I HN 0.115 nan 8.210 nan 0.000 0.418 273 T N 0.316 114.847 114.554 -0.038 0.000 2.746 273 T HA -0.156 4.200 4.350 0.009 0.000 0.267 273 T C 1.711 176.487 174.700 0.127 0.000 1.039 273 T CA 1.751 63.874 62.100 0.038 0.000 1.142 273 T CB -0.263 68.618 68.868 0.022 0.000 0.866 273 T HN 0.488 nan 8.240 nan 0.000 0.444 274 E N 0.719 120.958 120.200 0.066 0.000 2.152 274 E HA 0.044 4.400 4.350 0.009 0.000 0.192 274 E C 2.176 178.809 176.600 0.055 0.000 0.983 274 E CA 0.553 56.998 56.400 0.075 0.000 0.818 274 E CB -0.212 29.509 29.700 0.036 0.000 0.758 274 E HN 0.398 nan 8.360 nan 0.000 0.467 275 L N 0.356 121.570 121.223 -0.015 0.000 2.093 275 L HA -0.195 4.150 4.340 0.009 0.000 0.208 275 L C 2.452 179.416 176.870 0.157 0.000 1.085 275 L CA 0.648 55.506 54.840 0.029 0.000 0.755 275 L CB -0.303 41.661 42.059 -0.159 0.000 0.904 275 L HN 0.318 nan 8.230 nan 0.000 0.435 276 C N -0.168 119.185 119.300 0.088 0.000 2.440 276 C HA -0.122 4.343 4.460 0.009 0.000 0.278 276 C C 2.702 177.867 174.990 0.291 0.000 1.295 276 C CA 0.413 59.501 59.018 0.116 0.000 1.738 276 C CB -0.550 27.166 27.740 -0.039 0.000 1.987 276 C HN 0.418 nan 8.230 nan 0.000 0.492 277 I N 0.323 121.076 120.570 0.305 0.000 2.202 277 I HA -0.243 3.932 4.170 0.009 0.000 0.242 277 I C 2.611 178.796 176.117 0.113 0.000 1.091 277 I CA 1.476 62.917 61.300 0.235 0.000 1.368 277 I CB -0.704 37.402 38.000 0.177 0.000 1.058 277 I HN 0.406 nan 8.210 nan 0.000 0.410 278 Q N -0.084 119.760 119.800 0.073 0.000 2.308 278 Q HA -0.204 4.142 4.340 0.009 0.000 0.209 278 Q C 1.237 177.135 176.000 -0.171 0.000 0.985 278 Q CA 1.035 56.811 55.803 -0.044 0.000 0.881 278 Q CB -0.091 28.612 28.738 -0.058 0.000 0.917 278 Q HN 0.601 nan 8.270 nan 0.000 0.443 279 H N -1.797 117.271 119.070 -0.004 0.000 2.505 279 H HA 0.190 4.752 4.556 0.010 0.000 0.289 279 H C 0.930 176.241 175.328 -0.029 0.000 1.052 279 H CA 0.685 56.705 56.048 -0.046 0.000 1.156 279 H CB 0.994 30.689 29.762 -0.110 0.000 1.507 279 H HN 0.442 nan 8.280 nan 0.000 0.548 280 G N 0.821 109.659 108.800 0.063 0.000 2.176 280 G HA2 -0.244 3.721 3.960 0.009 0.000 0.232 280 G HA3 -0.244 3.721 3.960 0.009 0.000 0.232 280 G C -0.071 174.897 174.900 0.114 0.000 0.986 280 G CA -0.020 45.107 45.100 0.046 0.000 0.643 280 G HN 0.390 nan 8.290 nan 0.000 0.522 281 W N 2.601 123.883 121.300 -0.029 0.000 2.266 281 W HA 0.636 5.302 4.660 0.010 0.000 0.317 281 W C 0.257 176.770 176.519 -0.011 0.000 1.310 281 W CA 0.207 57.538 57.345 -0.023 0.000 1.207 281 W CB 0.778 30.235 29.460 -0.006 0.000 1.199 281 W HN 0.021 nan 8.180 nan 0.000 0.544 282 T N 9.911 124.143 114.554 -0.536 0.000 2.782 282 T HA 0.164 4.519 4.350 0.009 0.000 0.298 282 T C -2.059 171.907 174.700 -1.224 0.000 0.944 282 T CA -0.882 60.852 62.100 -0.610 0.000 1.001 282 T CB 0.224 68.878 68.868 -0.356 0.000 0.932 282 T HN 0.239 nan 8.240 nan 0.000 0.524 283 P HA 0.205 nan 4.420 nan 0.000 0.269 283 P C 0.491 177.357 177.300 -0.724 0.000 1.209 283 P CA -0.190 62.167 63.100 -1.239 0.000 0.776 283 P CB 0.872 32.265 31.700 -0.513 0.000 0.876 284 G N 1.743 110.273 108.800 -0.450 0.000 2.531 284 G HA2 0.238 4.203 3.960 0.009 0.000 0.253 284 G HA3 0.238 4.203 3.960 0.009 0.000 0.253 284 G C 0.371 175.015 174.900 -0.427 0.000 1.439 284 G CA -0.444 44.530 45.100 -0.211 0.000 1.056 284 G HN 0.720 nan 8.290 nan 0.000 0.555 285 N N -0.837 117.736 118.700 -0.212 0.000 2.471 285 N HA 0.203 4.948 4.740 0.009 0.000 0.270 285 N C 0.259 175.781 175.510 0.020 0.000 1.490 285 N CA 0.141 53.017 53.050 -0.289 0.000 0.850 285 N CB 0.381 38.718 38.487 -0.250 0.000 1.411 285 N HN 0.670 nan 8.380 nan 0.000 0.488 286 G N 0.250 109.172 108.800 0.204 0.000 2.613 286 G HA2 0.394 4.360 3.960 0.009 0.000 0.303 286 G HA3 0.394 4.360 3.960 0.009 0.000 0.303 286 G C 0.462 175.452 174.900 0.149 0.000 1.312 286 G CA -0.666 44.536 45.100 0.170 0.000 1.036 286 G HN 0.116 nan 8.290 nan 0.000 0.513 287 R N -1.371 119.116 120.500 -0.021 0.000 2.210 287 R HA 0.139 4.484 4.340 0.009 0.000 0.203 287 R C -0.130 175.701 176.300 -0.783 0.000 1.010 287 R CA 0.654 56.535 56.100 -0.365 0.000 1.008 287 R CB 0.143 30.123 30.300 -0.533 0.000 0.923 287 R HN 0.392 nan 8.270 nan 0.000 0.469 288 F N 0.896 120.788 119.950 -0.096 0.000 2.577 288 F HA 0.260 4.793 4.527 0.009 0.000 0.342 288 F C -0.733 175.027 175.800 -0.066 0.000 1.479 288 F CA -1.097 56.596 58.000 -0.513 0.000 1.110 288 F CB 0.644 39.127 39.000 -0.861 0.000 1.306 288 F HN -0.300 nan 8.300 nan 0.000 0.554 289 D N 1.652 122.216 120.400 0.274 0.000 2.295 289 D HA 0.189 4.834 4.640 0.009 0.000 0.248 289 D C 0.233 176.785 176.300 0.419 0.000 1.154 289 D CA 0.098 54.325 54.000 0.378 0.000 0.857 289 D CB 2.319 43.398 40.800 0.466 0.000 1.117 289 D HN -0.040 nan 8.370 nan 0.000 0.468 290 V N 3.728 123.849 119.914 0.345 0.000 2.585 290 V HA 0.004 4.129 4.120 0.009 0.000 0.296 290 V C 0.974 177.064 176.094 -0.007 0.000 1.035 290 V CA -0.205 62.172 62.300 0.128 0.000 1.084 290 V CB 0.342 32.198 31.823 0.055 0.000 0.953 290 V HN 0.336 nan 8.190 nan 0.000 0.483 291 L N 8.067 129.184 121.223 -0.175 0.000 2.453 291 L HA 0.397 4.742 4.340 0.009 0.000 0.261 291 L C -1.732 174.877 176.870 -0.435 0.000 1.179 291 L CA -1.394 53.192 54.840 -0.423 0.000 0.813 291 L CB 1.040 42.883 42.059 -0.360 0.000 1.110 291 L HN 0.494 nan 8.230 nan 0.000 0.466 292 P HA 0.276 nan 4.420 nan 0.000 0.280 292 P C -1.255 175.869 177.300 -0.294 0.000 1.272 292 P CA -0.552 62.276 63.100 -0.452 0.000 0.819 292 P CB 1.104 32.405 31.700 -0.665 0.000 1.122 293 L N 0.902 122.039 121.223 -0.142 0.000 2.307 293 L HA 0.420 4.765 4.340 0.009 0.000 0.282 293 L C 0.397 177.224 176.870 -0.073 0.000 1.051 293 L CA -0.800 54.004 54.840 -0.061 0.000 0.804 293 L CB 0.772 42.862 42.059 0.052 0.000 1.197 293 L HN 0.205 nan 8.230 nan 0.000 0.431 294 L N 5.117 126.278 121.223 -0.103 0.000 2.277 294 L HA 0.462 4.808 4.340 0.009 0.000 0.284 294 L C -0.606 176.137 176.870 -0.212 0.000 1.028 294 L CA -0.243 54.438 54.840 -0.264 0.000 0.835 294 L CB 0.959 42.775 42.059 -0.404 0.000 1.215 294 L HN 0.449 nan 8.230 nan 0.000 0.425 295 L N 4.082 125.225 121.223 -0.133 0.000 2.317 295 L HA 0.518 4.863 4.340 0.009 0.000 0.281 295 L C -0.302 176.480 176.870 -0.147 0.000 1.024 295 L CA -0.422 54.376 54.840 -0.070 0.000 0.810 295 L CB 1.817 43.889 42.059 0.021 0.000 1.240 295 L HN 0.561 nan 8.230 nan 0.000 0.427 296 Q N 2.447 122.186 119.800 -0.102 0.000 2.309 296 Q HA 0.669 5.014 4.340 0.009 0.000 0.270 296 Q C -1.100 174.820 176.000 -0.133 0.000 1.023 296 Q CA -0.518 55.223 55.803 -0.103 0.000 0.758 296 Q CB 2.160 30.912 28.738 0.023 0.000 1.247 296 Q HN 0.795 nan 8.270 nan 0.000 0.455 297 A N 4.830 127.519 122.820 -0.219 0.000 2.271 297 A HA 0.683 5.009 4.320 0.009 0.000 0.288 297 A C -2.436 174.863 177.584 -0.476 0.000 1.094 297 A CA -1.625 50.105 52.037 -0.511 0.000 0.828 297 A CB 0.128 18.934 19.000 -0.322 0.000 1.091 297 A HN 0.627 nan 8.150 nan 0.000 0.493 298 P HA 0.025 nan 4.420 nan 0.000 0.261 298 P C -0.655 176.543 177.300 -0.170 0.000 1.173 298 P CA 0.743 63.634 63.100 -0.348 0.000 0.760 298 P CB 0.119 31.627 31.700 -0.320 0.000 0.783 299 D N 0.399 120.747 120.400 -0.087 0.000 2.792 299 D HA -0.205 4.440 4.640 0.009 0.000 0.231 299 D C -0.187 176.093 176.300 -0.033 0.000 1.160 299 D CA 1.359 55.337 54.000 -0.037 0.000 0.697 299 D CB -0.658 40.125 40.800 -0.028 0.000 1.070 299 D HN 0.581 nan 8.370 nan 0.000 0.426 300 E N -0.892 119.280 120.200 -0.046 0.000 2.369 300 E HA 0.666 5.022 4.350 0.009 0.000 0.270 300 E C -0.263 176.319 176.600 -0.029 0.000 0.909 300 E CA -0.888 55.488 56.400 -0.040 0.000 0.775 300 E CB 1.717 31.378 29.700 -0.065 0.000 1.270 300 E HN 0.129 nan 8.360 nan 0.000 0.445 301 A N 2.387 125.190 122.820 -0.029 0.000 2.386 301 A HA 0.373 4.699 4.320 0.009 0.000 0.248 301 A C -2.120 175.367 177.584 -0.163 0.000 1.082 301 A CA -1.015 50.998 52.037 -0.040 0.000 0.789 301 A CB -0.321 18.677 19.000 -0.003 0.000 1.025 301 A HN 0.330 nan 8.150 nan 0.000 0.490 302 P HA 0.184 nan 4.420 nan 0.000 0.271 302 P C -0.651 176.392 177.300 -0.429 0.000 1.216 302 P CA 0.155 62.898 63.100 -0.594 0.000 0.776 302 P CB 0.767 31.615 31.700 -1.419 0.000 0.881 303 E N 0.865 120.886 120.200 -0.299 0.000 2.202 303 E HA 0.432 4.788 4.350 0.009 0.000 0.272 303 E C -0.763 175.603 176.600 -0.390 0.000 0.951 303 E CA -1.036 55.181 56.400 -0.304 0.000 0.813 303 E CB 1.302 30.875 29.700 -0.213 0.000 1.151 303 E HN 0.283 nan 8.360 nan 0.000 0.398 304 L N 3.049 123.945 121.223 -0.544 0.000 2.289 304 L HA 0.468 4.813 4.340 0.009 0.000 0.285 304 L C -1.591 174.799 176.870 -0.801 0.000 1.049 304 L CA 0.074 54.630 54.840 -0.475 0.000 0.804 304 L CB 0.298 42.182 42.059 -0.291 0.000 1.195 304 L HN 0.410 nan 8.230 nan 0.000 0.428 305 F N 3.971 123.709 119.950 -0.354 0.000 2.557 305 F HA 0.479 5.012 4.527 0.011 0.000 0.316 305 F C -0.345 175.217 175.800 -0.396 0.000 1.141 305 F CA -0.889 56.779 58.000 -0.553 0.000 0.922 305 F CB 1.875 40.226 39.000 -1.081 0.000 1.194 305 F HN 0.023 nan 8.300 nan 0.000 0.443 306 V N 4.612 124.443 119.914 -0.138 0.000 2.465 306 V HA 0.291 4.416 4.120 0.009 0.000 0.279 306 V C 0.189 176.348 176.094 0.109 0.000 1.045 306 V CA -0.740 61.550 62.300 -0.016 0.000 0.938 306 V CB 1.370 33.225 31.823 0.053 0.000 0.986 306 V HN 0.535 nan 8.190 nan 0.000 0.467 307 L N 7.079 128.390 121.223 0.146 0.000 2.360 307 L HA 0.295 4.641 4.340 0.009 0.000 0.276 307 L C -2.124 174.843 176.870 0.161 0.000 1.121 307 L CA -1.496 53.477 54.840 0.221 0.000 0.845 307 L CB 0.562 42.690 42.059 0.115 0.000 1.143 307 L HN 0.432 nan 8.230 nan 0.000 0.452 308 P HA 0.072 nan 4.420 nan 0.000 0.267 308 P C -1.989 175.361 177.300 0.085 0.000 1.209 308 P CA -0.906 62.266 63.100 0.120 0.000 0.763 308 P CB 0.387 32.153 31.700 0.109 0.000 0.816 309 P HA -0.212 nan 4.420 nan 0.000 0.217 309 P C 1.182 178.514 177.300 0.052 0.000 1.151 309 P CA 1.408 64.549 63.100 0.069 0.000 0.849 309 P CB -0.018 31.725 31.700 0.072 0.000 0.787 310 E N -1.004 119.223 120.200 0.046 0.000 2.265 310 E HA -0.120 4.236 4.350 0.009 0.000 0.196 310 E C 1.729 178.346 176.600 0.027 0.000 0.996 310 E CA 0.643 57.063 56.400 0.033 0.000 0.832 310 E CB -0.360 29.356 29.700 0.028 0.000 0.756 310 E HN 0.311 nan 8.360 nan 0.000 0.491 311 L N 0.272 121.512 121.223 0.030 0.000 2.270 311 L HA 0.012 4.358 4.340 0.009 0.000 0.210 311 L C 0.666 177.550 176.870 0.023 0.000 1.104 311 L CA 0.218 55.070 54.840 0.020 0.000 0.804 311 L CB 0.461 42.525 42.059 0.008 0.000 0.937 311 L HN -0.107 nan 8.230 nan 0.000 0.450 312 V N 2.309 122.239 119.914 0.027 0.000 2.299 312 V HA 0.101 4.227 4.120 0.009 0.000 0.255 312 V C 0.119 176.241 176.094 0.047 0.000 1.100 312 V CA -0.477 61.838 62.300 0.025 0.000 0.938 312 V CB 0.862 32.689 31.823 0.006 0.000 1.139 312 V HN 0.071 nan 8.190 nan 0.000 0.490 313 L N 5.749 127.006 121.223 0.057 0.000 2.418 313 L HA 0.354 4.700 4.340 0.009 0.000 0.274 313 L C 0.275 177.187 176.870 0.069 0.000 1.135 313 L CA 0.879 55.748 54.840 0.048 0.000 0.870 313 L CB 0.198 42.281 42.059 0.040 0.000 1.154 313 L HN 0.644 nan 8.230 nan 0.000 0.462 314 E N 3.431 123.650 120.200 0.032 0.000 2.299 314 E HA 0.593 4.948 4.350 0.009 0.000 0.265 314 E C -1.392 175.153 176.600 -0.092 0.000 0.911 314 E CA -1.065 55.351 56.400 0.027 0.000 0.789 314 E CB 2.440 32.185 29.700 0.075 0.000 1.246 314 E HN 0.353 nan 8.360 nan 0.000 0.427 315 V N 3.204 123.024 119.914 -0.157 0.000 2.376 315 V HA 0.303 4.429 4.120 0.009 0.000 0.287 315 V C -2.268 173.746 176.094 -0.133 0.000 1.015 315 V CA -1.830 60.309 62.300 -0.269 0.000 0.834 315 V CB 1.365 32.758 31.823 -0.717 0.000 1.001 315 V HN 0.551 nan 8.190 nan 0.000 0.428 316 P HA 0.283 nan 4.420 nan 0.000 0.276 316 P C -0.813 176.484 177.300 -0.006 0.000 1.230 316 P CA -0.189 62.874 63.100 -0.062 0.000 0.776 316 P CB 1.225 32.897 31.700 -0.046 0.000 0.888 317 L N 3.309 124.565 121.223 0.055 0.000 2.292 317 L HA 0.416 4.762 4.340 0.009 0.000 0.284 317 L C 1.147 178.166 176.870 0.248 0.000 1.065 317 L CA -0.206 54.731 54.840 0.161 0.000 0.806 317 L CB 0.530 42.751 42.059 0.270 0.000 1.175 317 L HN 0.510 nan 8.230 nan 0.000 0.431 318 E N 1.936 122.248 120.200 0.187 0.000 2.416 318 E HA 0.416 4.772 4.350 0.009 0.000 0.273 318 E C -1.366 175.257 176.600 0.040 0.000 0.935 318 E CA -0.952 55.571 56.400 0.205 0.000 0.784 318 E CB 2.319 32.116 29.700 0.161 0.000 1.301 318 E HN 0.474 nan 8.360 nan 0.000 0.454 319 H N 1.442 120.396 119.070 -0.194 0.000 2.472 319 H HA 0.239 4.801 4.556 0.010 0.000 0.338 319 H C -1.779 173.257 175.328 -0.488 0.000 1.133 319 H CA -2.287 53.493 56.048 -0.447 0.000 1.216 319 H CB 2.040 31.457 29.762 -0.576 0.000 1.497 319 H HN 0.418 nan 8.280 nan 0.000 0.500 320 P HA -0.133 nan 4.420 nan 0.000 0.218 320 P C 0.912 178.050 177.300 -0.270 0.000 1.148 320 P CA 1.902 64.482 63.100 -0.867 0.000 0.822 320 P CB 0.444 31.611 31.700 -0.888 0.000 0.784 321 T N -4.396 110.172 114.554 0.024 0.000 2.989 321 T HA 0.202 4.557 4.350 0.009 0.000 0.250 321 T C 0.932 175.587 174.700 -0.075 0.000 0.981 321 T CA -0.243 61.861 62.100 0.008 0.000 0.980 321 T CB -0.624 68.258 68.868 0.022 0.000 1.133 321 T HN -0.067 nan 8.240 nan 0.000 0.489 322 L N 2.778 123.869 121.223 -0.221 0.000 2.385 322 L HA 0.346 4.692 4.340 0.009 0.000 0.285 322 L C 1.284 177.776 176.870 -0.630 0.000 1.125 322 L CA -0.212 54.231 54.840 -0.661 0.000 0.890 322 L CB 0.394 41.692 42.059 -1.268 0.000 1.251 322 L HN 0.264 nan 8.230 nan 0.000 0.445 323 E N 3.294 123.283 120.200 -0.351 0.000 2.209 323 E HA -0.202 4.153 4.350 0.009 0.000 0.196 323 E C 1.514 178.048 176.600 -0.109 0.000 0.993 323 E CA 1.451 57.757 56.400 -0.158 0.000 0.819 323 E CB 0.051 29.738 29.700 -0.021 0.000 0.745 323 E HN 0.803 nan 8.360 nan 0.000 0.477 324 W N -0.360 120.986 121.300 0.078 0.000 2.800 324 W HA 0.001 4.666 4.660 0.010 0.000 0.249 324 W C 1.396 177.962 176.519 0.079 0.000 1.294 324 W CA -0.238 57.142 57.345 0.058 0.000 1.402 324 W CB -0.853 28.619 29.460 0.020 0.000 1.126 324 W HN -0.033 nan 8.180 nan 0.000 0.652 325 F N 2.991 122.686 119.950 -0.424 0.000 2.126 325 F HA -0.158 4.374 4.527 0.009 0.000 0.299 325 F C 2.721 178.546 175.800 0.043 0.000 1.096 325 F CA 3.080 60.971 58.000 -0.182 0.000 1.255 325 F CB -0.535 38.239 39.000 -0.376 0.000 0.997 325 F HN -0.078 nan 8.300 nan 0.000 0.479 326 A N 0.097 123.050 122.820 0.221 0.000 1.978 326 A HA -0.157 4.168 4.320 0.009 0.000 0.220 326 A C 2.272 179.917 177.584 0.103 0.000 1.170 326 A CA 1.641 53.778 52.037 0.165 0.000 0.636 326 A CB -1.463 17.608 19.000 0.119 0.000 0.810 326 A HN 0.459 nan 8.150 nan 0.000 0.448 327 A N -1.117 121.772 122.820 0.114 0.000 2.172 327 A HA 0.122 4.447 4.320 0.009 0.000 0.216 327 A C 1.725 179.348 177.584 0.065 0.000 1.154 327 A CA 1.151 53.246 52.037 0.097 0.000 0.701 327 A CB -0.360 18.718 19.000 0.131 0.000 0.789 327 A HN 0.369 nan 8.150 nan 0.000 0.465 328 L N -0.940 120.296 121.223 0.022 0.000 2.376 328 L HA 0.092 4.438 4.340 0.009 0.000 0.219 328 L C 1.894 178.777 176.870 0.021 0.000 1.133 328 L CA 1.202 56.024 54.840 -0.029 0.000 0.816 328 L CB -1.309 40.616 42.059 -0.224 0.000 0.933 328 L HN 0.652 nan 8.230 nan 0.000 0.449 329 G N -0.417 108.400 108.800 0.028 0.000 2.198 329 G HA2 -0.289 3.677 3.960 0.009 0.000 0.260 329 G HA3 -0.289 3.677 3.960 0.009 0.000 0.260 329 G C 0.358 175.248 174.900 -0.017 0.000 1.025 329 G CA 0.435 45.556 45.100 0.035 0.000 0.769 329 G HN 0.328 nan 8.290 nan 0.000 0.507 330 L N -0.471 120.723 121.223 -0.048 0.000 2.421 330 L HA 0.843 5.189 4.340 0.009 0.000 0.263 330 L C 1.092 177.749 176.870 -0.356 0.000 1.122 330 L CA -0.699 54.031 54.840 -0.184 0.000 0.804 330 L CB 0.985 43.064 42.059 0.034 0.000 1.150 330 L HN 0.573 nan 8.230 nan 0.000 0.457 331 R N 0.602 120.696 120.500 -0.677 0.000 2.728 331 R HA 0.470 4.816 4.340 0.009 0.000 0.274 331 R C -2.220 173.993 176.300 -0.145 0.000 1.030 331 R CA -1.012 54.861 56.100 -0.379 0.000 0.876 331 R CB 1.614 31.640 30.300 -0.457 0.000 1.259 331 R HN 0.665 nan 8.270 nan 0.000 0.468 332 W N 1.539 122.782 121.300 -0.095 0.000 3.213 332 W HA 0.346 5.011 4.660 0.009 0.000 0.318 332 W C -1.282 175.304 176.519 0.112 0.000 1.248 332 W CA -0.951 56.428 57.345 0.056 0.000 1.187 332 W CB 1.915 31.324 29.460 -0.084 0.000 1.403 332 W HN 0.690 nan 8.180 nan 0.000 0.556 333 Y N 1.241 121.458 120.300 -0.138 0.000 2.301 333 Y HA 0.547 5.102 4.550 0.009 0.000 0.328 333 Y C 0.858 176.992 175.900 0.391 0.000 1.242 333 Y CA 0.140 58.261 58.100 0.035 0.000 1.323 333 Y CB 0.214 38.576 38.460 -0.164 0.000 1.266 333 Y HN 0.357 nan 8.280 nan 0.000 0.527 334 A N 2.287 125.379 122.820 0.453 0.000 1.929 334 A HA 0.016 4.341 4.320 0.009 0.000 0.216 334 A C 0.610 178.577 177.584 0.637 0.000 1.176 334 A CA 0.545 52.898 52.037 0.527 0.000 0.628 334 A CB -0.409 18.742 19.000 0.252 0.000 0.816 334 A HN 0.698 nan 8.150 nan 0.000 0.444 335 L N 1.919 123.472 121.223 0.550 0.000 2.255 335 L HA 0.392 4.737 4.340 0.009 0.000 0.289 335 L C -2.499 174.549 176.870 0.298 0.000 1.046 335 L CA -2.160 52.898 54.840 0.365 0.000 0.816 335 L CB 1.548 43.740 42.059 0.223 0.000 1.197 335 L HN -0.003 nan 8.230 nan 0.000 0.427 336 P HA 0.300 nan 4.420 nan 0.000 0.288 336 P C -1.419 175.796 177.300 -0.141 0.000 1.363 336 P CA -0.315 62.644 63.100 -0.236 0.000 0.837 336 P CB 1.294 32.438 31.700 -0.926 0.000 0.981 337 A N 4.606 127.358 122.820 -0.114 0.000 2.409 337 A HA 0.412 4.738 4.320 0.009 0.000 0.300 337 A C -0.216 177.159 177.584 -0.349 0.000 1.273 337 A CA -0.670 51.226 52.037 -0.235 0.000 0.774 337 A CB 0.793 19.673 19.000 -0.200 0.000 1.144 337 A HN 0.298 nan 8.150 nan 0.000 0.472 338 V N 3.017 122.564 119.914 -0.612 0.000 2.479 338 V HA 0.232 4.357 4.120 0.009 0.000 0.281 338 V C 1.228 176.914 176.094 -0.680 0.000 1.031 338 V CA 1.132 63.024 62.300 -0.680 0.000 1.038 338 V CB 0.964 32.203 31.823 -0.973 0.000 0.981 338 V HN 1.072 nan 8.190 nan 0.000 0.478 339 S N 1.920 117.427 115.700 -0.322 0.000 2.666 339 S HA 0.058 4.534 4.470 0.009 0.000 0.239 339 S C 0.766 175.341 174.600 -0.041 0.000 1.031 339 S CA 0.078 58.170 58.200 -0.180 0.000 1.015 339 S CB -0.382 62.751 63.200 -0.113 0.000 0.981 339 S HN 0.915 nan 8.310 nan 0.000 0.547 340 N N 0.312 118.999 118.700 -0.022 0.000 2.204 340 N HA 0.314 5.059 4.740 0.009 0.000 0.219 340 N C 0.049 175.616 175.510 0.094 0.000 1.151 340 N CA -0.508 52.572 53.050 0.051 0.000 0.867 340 N CB 0.148 38.666 38.487 0.051 0.000 1.043 340 N HN 0.251 nan 8.380 nan 0.000 0.516 341 M N 1.395 121.067 119.600 0.120 0.000 2.342 341 M HA 0.300 4.786 4.480 0.009 0.000 0.332 341 M C -0.546 175.904 176.300 0.250 0.000 1.166 341 M CA -0.790 54.635 55.300 0.208 0.000 1.086 341 M CB 2.323 35.091 32.600 0.281 0.000 1.541 341 M HN 0.151 nan 8.290 nan 0.000 0.462 342 L N 3.164 124.516 121.223 0.216 0.000 2.289 342 L HA 0.474 4.820 4.340 0.009 0.000 0.285 342 L C -1.259 175.738 176.870 0.210 0.000 1.049 342 L CA -0.873 54.082 54.840 0.191 0.000 0.804 342 L CB 0.999 43.120 42.059 0.103 0.000 1.195 342 L HN 0.572 nan 8.230 nan 0.000 0.428 343 L N 5.513 126.863 121.223 0.211 0.000 2.257 343 L HA 0.427 4.773 4.340 0.009 0.000 0.290 343 L C -0.421 176.474 176.870 0.041 0.000 1.044 343 L CA 0.280 55.139 54.840 0.033 0.000 0.810 343 L CB 1.005 43.082 42.059 0.031 0.000 1.193 343 L HN 0.630 nan 8.230 nan 0.000 0.425 344 E N 6.571 126.716 120.200 -0.092 0.000 2.151 344 E HA 0.399 4.755 4.350 0.009 0.000 0.275 344 E C -1.548 174.969 176.600 -0.139 0.000 0.936 344 E CA -0.441 55.916 56.400 -0.072 0.000 0.777 344 E CB 1.111 30.766 29.700 -0.075 0.000 1.108 344 E HN 0.721 nan 8.360 nan 0.000 0.401 345 I N 2.648 123.137 120.570 -0.134 0.000 2.500 345 I HA 0.261 4.436 4.170 0.009 0.000 0.286 345 I C 0.742 176.648 176.117 -0.352 0.000 1.063 345 I CA -0.668 60.426 61.300 -0.343 0.000 1.062 345 I CB 2.003 39.721 38.000 -0.470 0.000 1.223 345 I HN 0.788 nan 8.210 nan 0.000 0.435 346 G N 4.200 112.854 108.800 -0.244 0.000 2.341 346 G HA2 -0.114 3.852 3.960 0.009 0.000 0.292 346 G HA3 -0.114 3.852 3.960 0.009 0.000 0.292 346 G C 1.043 176.030 174.900 0.145 0.000 1.021 346 G CA 0.798 45.948 45.100 0.082 0.000 0.905 346 G HN 1.559 nan 8.290 nan 0.000 0.508 347 G N -1.894 106.931 108.800 0.040 0.000 2.253 347 G HA2 -0.258 3.708 3.960 0.009 0.000 0.251 347 G HA3 -0.258 3.708 3.960 0.009 0.000 0.251 347 G C 0.587 175.453 174.900 -0.057 0.000 0.998 347 G CA 0.498 45.619 45.100 0.034 0.000 0.621 347 G HN 1.313 nan 8.290 nan 0.000 0.524 348 L N 0.931 122.063 121.223 -0.151 0.000 2.397 348 L HA 0.524 4.870 4.340 0.009 0.000 0.271 348 L C 0.343 177.009 176.870 -0.340 0.000 1.148 348 L CA -0.126 54.504 54.840 -0.351 0.000 0.825 348 L CB 0.873 42.606 42.059 -0.543 0.000 1.117 348 L HN 0.208 nan 8.230 nan 0.000 0.456 349 E N 2.852 122.786 120.200 -0.443 0.000 2.185 349 E HA 0.319 4.674 4.350 0.009 0.000 0.261 349 E C -1.442 174.907 176.600 -0.418 0.000 0.879 349 E CA -0.371 55.850 56.400 -0.298 0.000 0.756 349 E CB 1.406 31.012 29.700 -0.156 0.000 1.152 349 E HN 0.278 nan 8.360 nan 0.000 0.416 350 F N 2.185 122.101 119.950 -0.057 0.000 2.351 350 F HA 0.076 4.609 4.527 0.011 0.000 0.362 350 F C 1.683 177.517 175.800 0.056 0.000 1.131 350 F CA -0.415 57.578 58.000 -0.012 0.000 1.187 350 F CB 0.916 39.893 39.000 -0.038 0.000 1.434 350 F HN 0.429 nan 8.300 nan 0.000 0.553 351 S N 1.543 117.341 115.700 0.163 0.000 2.447 351 S HA 0.121 4.596 4.470 0.009 0.000 0.233 351 S C 0.853 175.580 174.600 0.212 0.000 1.006 351 S CA 0.402 58.697 58.200 0.159 0.000 0.957 351 S CB -0.004 63.269 63.200 0.121 0.000 0.773 351 S HN 0.488 nan 8.310 nan 0.000 0.507 352 A N 0.436 123.424 122.820 0.279 0.000 2.340 352 A HA 0.837 5.162 4.320 0.009 0.000 0.297 352 A C -0.203 177.631 177.584 0.416 0.000 1.195 352 A CA -0.199 52.027 52.037 0.315 0.000 0.769 352 A CB 1.040 20.200 19.000 0.267 0.000 1.163 352 A HN 1.111 nan 8.150 nan 0.000 0.472 353 A N 4.218 127.237 122.820 0.331 0.000 3.200 353 A HA 0.604 4.929 4.320 0.009 0.000 0.274 353 A C -3.085 174.645 177.584 0.244 0.000 1.220 353 A CA -0.811 51.384 52.037 0.262 0.000 0.904 353 A CB 0.407 19.551 19.000 0.240 0.000 1.415 353 A HN 0.525 nan 8.150 nan 0.000 0.630 354 P HA 0.436 nan 4.420 nan 0.000 0.268 354 P C -0.753 176.538 177.300 -0.017 0.000 1.204 354 P CA 0.421 63.467 63.100 -0.090 0.000 0.768 354 P CB 0.284 31.894 31.700 -0.151 0.000 0.842 355 F N -0.121 119.767 119.950 -0.104 0.000 2.588 355 F HA 0.779 5.311 4.527 0.008 0.000 0.314 355 F C -0.546 175.168 175.800 -0.143 0.000 1.069 355 F CA -1.182 56.760 58.000 -0.096 0.000 0.931 355 F CB 1.665 40.493 39.000 -0.285 0.000 1.260 355 F HN 0.416 nan 8.300 nan 0.000 0.465 356 S N 0.383 116.158 115.700 0.125 0.000 2.579 356 S HA 0.962 5.438 4.470 0.009 0.000 0.272 356 S C -0.750 173.814 174.600 -0.060 0.000 1.141 356 S CA -0.185 58.026 58.200 0.017 0.000 0.843 356 S CB 1.519 64.796 63.200 0.128 0.000 1.122 356 S HN 1.483 nan 8.310 nan 0.000 0.468 357 G N -0.188 108.538 108.800 -0.123 0.000 3.354 357 G HA2 0.718 4.684 3.960 0.009 0.000 0.174 357 G HA3 0.718 4.684 3.960 0.009 0.000 0.174 357 G C -1.636 173.284 174.900 0.033 0.000 1.140 357 G CA -0.249 44.725 45.100 -0.209 0.000 0.897 357 G HN 1.195 nan 8.290 nan 0.000 0.685 358 W N -1.239 120.068 121.300 0.012 0.000 3.083 358 W HA 0.818 5.482 4.660 0.007 0.000 0.333 358 W C -1.645 174.881 176.519 0.012 0.000 1.217 358 W CA -2.197 55.176 57.345 0.047 0.000 1.170 358 W CB 0.397 29.926 29.460 0.115 0.000 1.437 358 W HN 0.423 nan 8.180 nan 0.000 0.557 359 Y N 2.679 123.168 120.300 0.315 0.000 2.379 359 Y HA 0.279 4.835 4.550 0.009 0.000 0.337 359 Y C 0.883 176.845 175.900 0.104 0.000 1.238 359 Y CA -0.443 57.722 58.100 0.109 0.000 1.405 359 Y CB 1.069 39.494 38.460 -0.059 0.000 1.310 359 Y HN 0.481 nan 8.280 nan 0.000 0.569 360 M N 1.854 121.599 119.600 0.241 0.000 2.238 360 M HA 0.216 4.702 4.480 0.009 0.000 0.350 360 M C 0.992 177.297 176.300 0.008 0.000 1.138 360 M CA -0.323 55.051 55.300 0.122 0.000 1.040 360 M CB 1.233 33.880 32.600 0.078 0.000 1.639 360 M HN 0.819 nan 8.290 nan 0.000 0.451 361 S N 1.388 117.049 115.700 -0.065 0.000 2.402 361 S HA -0.190 4.286 4.470 0.009 0.000 0.233 361 S C 1.442 175.908 174.600 -0.223 0.000 1.030 361 S CA 2.146 60.228 58.200 -0.196 0.000 1.003 361 S CB -1.310 61.806 63.200 -0.139 0.000 0.813 361 S HN 0.930 nan 8.310 nan 0.000 0.477 362 T N -0.296 114.157 114.554 -0.168 0.000 2.962 362 T HA 0.031 4.387 4.350 0.009 0.000 0.270 362 T C 1.538 176.092 174.700 -0.243 0.000 1.088 362 T CA 1.099 63.055 62.100 -0.239 0.000 1.127 362 T CB -0.530 68.162 68.868 -0.293 0.000 0.883 362 T HN 0.599 nan 8.240 nan 0.000 0.493 363 E N 0.886 120.967 120.200 -0.199 0.000 2.077 363 E HA -0.029 4.326 4.350 0.009 0.000 0.193 363 E C 2.011 178.370 176.600 -0.402 0.000 0.989 363 E CA 1.315 57.605 56.400 -0.184 0.000 0.800 363 E CB -0.263 29.463 29.700 0.044 0.000 0.746 363 E HN 0.596 nan 8.360 nan 0.000 0.452 364 I N 0.050 120.254 120.570 -0.611 0.000 2.270 364 I HA -0.052 4.124 4.170 0.009 0.000 0.239 364 I C 2.573 178.341 176.117 -0.581 0.000 1.080 364 I CA 0.931 61.687 61.300 -0.907 0.000 1.383 364 I CB -0.497 36.859 38.000 -1.073 0.000 1.097 364 I HN 0.106 nan 8.210 nan 0.000 0.420 365 G N 0.115 108.675 108.800 -0.399 0.000 2.422 365 G HA2 -0.149 3.816 3.960 0.009 0.000 0.218 365 G HA3 -0.149 3.816 3.960 0.009 0.000 0.218 365 G C 1.598 176.386 174.900 -0.188 0.000 1.140 365 G CA 1.432 46.388 45.100 -0.240 0.000 0.775 365 G HN 0.302 nan 8.290 nan 0.000 0.545 366 T N -0.241 114.180 114.554 -0.222 0.000 3.053 366 T HA 0.119 4.474 4.350 0.009 0.000 0.236 366 T C 2.501 177.096 174.700 -0.174 0.000 0.996 366 T CA 0.132 62.123 62.100 -0.182 0.000 1.185 366 T CB 0.132 68.874 68.868 -0.210 0.000 0.892 366 T HN -0.000 nan 8.240 nan 0.000 0.432 367 R N 2.133 122.509 120.500 -0.206 0.000 2.056 367 R HA 0.156 4.501 4.340 0.009 0.000 0.227 367 R C 2.195 178.387 176.300 -0.180 0.000 1.149 367 R CA 1.078 57.067 56.100 -0.185 0.000 0.937 367 R CB -1.258 28.935 30.300 -0.179 0.000 0.835 367 R HN 0.310 nan 8.270 nan 0.000 0.430 368 N N 1.070 119.621 118.700 -0.249 0.000 2.104 368 N HA -0.116 4.630 4.740 0.009 0.000 0.190 368 N C 1.971 177.439 175.510 -0.070 0.000 1.024 368 N CA 1.151 54.066 53.050 -0.225 0.000 0.853 368 N CB -0.263 37.787 38.487 -0.729 0.000 1.008 368 N HN 0.198 nan 8.380 nan 0.000 0.424 369 L N -0.712 120.416 121.223 -0.158 0.000 2.202 369 L HA 0.058 4.403 4.340 0.009 0.000 0.205 369 L C 1.492 178.401 176.870 0.065 0.000 1.083 369 L CA 0.509 55.350 54.840 0.001 0.000 0.790 369 L CB 0.106 42.138 42.059 -0.045 0.000 0.942 369 L HN 0.166 nan 8.230 nan 0.000 0.452 370 C N -1.535 117.760 119.300 -0.008 0.000 2.912 370 C HA 0.162 4.628 4.460 0.009 0.000 0.274 370 C C 0.713 175.692 174.990 -0.019 0.000 1.248 370 C CA -0.986 58.035 59.018 0.007 0.000 1.694 370 C CB -0.473 27.258 27.740 -0.015 0.000 2.024 370 C HN 0.298 nan 8.230 nan 0.000 0.605 371 D N 2.990 123.345 120.400 -0.075 0.000 2.472 371 D HA 0.038 4.684 4.640 0.009 0.000 0.237 371 D C -1.048 175.217 176.300 -0.057 0.000 1.141 371 D CA -1.259 52.666 54.000 -0.125 0.000 0.875 371 D CB 0.680 41.244 40.800 -0.393 0.000 1.192 371 D HN 0.194 nan 8.370 nan 0.000 0.450 372 P HA -0.154 nan 4.420 nan 0.000 0.220 372 P C 0.698 178.072 177.300 0.124 0.000 1.148 372 P CA 1.284 64.447 63.100 0.105 0.000 0.803 372 P CB 0.010 31.789 31.700 0.132 0.000 0.782 373 H N -2.353 116.728 119.070 0.017 0.000 2.517 373 H HA 0.358 4.920 4.556 0.009 0.000 0.282 373 H C 0.923 176.259 175.328 0.013 0.000 1.023 373 H CA -0.302 55.754 56.048 0.012 0.000 1.169 373 H CB -0.007 29.762 29.762 0.011 0.000 1.454 373 H HN -0.034 nan 8.280 nan 0.000 0.556 374 R N -0.190 120.209 120.500 -0.169 0.000 3.066 374 R HA 0.176 4.521 4.340 0.009 0.000 0.143 374 R C 1.089 177.353 176.300 -0.061 0.000 1.187 374 R CA -0.753 55.283 56.100 -0.107 0.000 0.722 374 R CB -0.841 29.410 30.300 -0.082 0.000 1.366 374 R HN 0.073 nan 8.270 nan 0.000 0.421 375 Y N 1.798 122.116 120.300 0.031 0.000 2.403 375 Y HA -0.091 4.465 4.550 0.009 0.000 0.291 375 Y C 0.824 176.752 175.900 0.047 0.000 1.143 375 Y CA 1.507 59.643 58.100 0.060 0.000 1.257 375 Y CB -0.355 38.184 38.460 0.133 0.000 0.984 375 Y HN 0.567 nan 8.280 nan 0.000 0.550 376 N N 0.844 119.629 118.700 0.141 0.000 2.705 376 N HA -0.230 4.516 4.740 0.009 0.000 0.255 376 N C 0.530 176.121 175.510 0.136 0.000 1.008 376 N CA 0.338 53.451 53.050 0.106 0.000 0.742 376 N CB -1.019 37.512 38.487 0.073 0.000 0.906 376 N HN 0.639 nan 8.380 nan 0.000 0.541 377 I N -3.005 117.663 120.570 0.164 0.000 3.793 377 I HA 0.017 4.193 4.170 0.009 0.000 0.315 377 I C 1.642 177.859 176.117 0.167 0.000 1.275 377 I CA -0.406 60.990 61.300 0.161 0.000 1.214 377 I CB -0.007 38.097 38.000 0.174 0.000 1.018 377 I HN 0.104 nan 8.210 nan 0.000 0.439 378 L N 1.730 123.061 121.223 0.181 0.000 1.990 378 L HA -0.225 4.120 4.340 0.009 0.000 0.213 378 L C 2.588 179.674 176.870 0.360 0.000 1.072 378 L CA 2.071 57.058 54.840 0.245 0.000 0.755 378 L CB -0.992 41.181 42.059 0.191 0.000 0.889 378 L HN 0.463 nan 8.230 nan 0.000 0.432 379 E N -0.993 119.414 120.200 0.344 0.000 2.077 379 E HA -0.232 4.124 4.350 0.009 0.000 0.193 379 E C 1.744 178.371 176.600 0.046 0.000 0.989 379 E CA 1.293 57.805 56.400 0.187 0.000 0.800 379 E CB 0.062 29.818 29.700 0.093 0.000 0.746 379 E HN 0.518 nan 8.360 nan 0.000 0.452 380 D N -0.010 120.426 120.400 0.059 0.000 2.104 380 D HA -0.157 4.488 4.640 0.009 0.000 0.194 380 D C 2.058 178.350 176.300 -0.014 0.000 0.994 380 D CA 1.071 55.072 54.000 0.001 0.000 0.830 380 D CB -0.256 40.556 40.800 0.019 0.000 0.959 380 D HN 0.120 nan 8.370 nan 0.000 0.452 381 V N 1.467 121.430 119.914 0.082 0.000 2.427 381 V HA -0.196 3.930 4.120 0.009 0.000 0.248 381 V C 2.524 178.688 176.094 0.117 0.000 1.051 381 V CA 1.626 64.016 62.300 0.151 0.000 1.048 381 V CB -0.691 31.318 31.823 0.311 0.000 0.666 381 V HN 0.173 nan 8.190 nan 0.000 0.456 382 A N -0.265 122.637 122.820 0.137 0.000 1.898 382 A HA -0.145 4.180 4.320 0.009 0.000 0.216 382 A C 2.402 179.940 177.584 -0.077 0.000 1.181 382 A CA 1.928 54.030 52.037 0.108 0.000 0.620 382 A CB -0.636 18.484 19.000 0.200 0.000 0.819 382 A HN 0.320 nan 8.150 nan 0.000 0.442 383 V N -0.749 119.075 119.914 -0.150 0.000 2.343 383 V HA -0.335 3.791 4.120 0.009 0.000 0.247 383 V C 2.662 178.592 176.094 -0.275 0.000 1.051 383 V CA 2.118 64.293 62.300 -0.208 0.000 1.036 383 V CB -1.008 30.699 31.823 -0.194 0.000 0.654 383 V HN 0.719 nan 8.190 nan 0.000 0.451 384 C N -0.472 118.595 119.300 -0.388 0.000 2.413 384 C HA -0.179 4.286 4.460 0.009 0.000 0.277 384 C C 2.650 177.210 174.990 -0.718 0.000 1.265 384 C CA 1.168 59.704 59.018 -0.804 0.000 1.752 384 C CB -0.996 25.884 27.740 -1.433 0.000 1.998 384 C HN 0.535 nan 8.230 nan 0.000 0.489 385 M N -0.216 119.212 119.600 -0.287 0.000 2.618 385 M HA 0.028 4.513 4.480 0.009 0.000 0.240 385 M C 0.483 176.763 176.300 -0.033 0.000 1.123 385 M CA 0.915 56.218 55.300 0.006 0.000 1.060 385 M CB -0.412 32.294 32.600 0.176 0.000 1.535 385 M HN 0.279 nan 8.290 nan 0.000 0.507 386 D N 1.176 121.506 120.400 -0.117 0.000 2.746 386 D HA -0.140 4.506 4.640 0.009 0.000 0.236 386 D C -0.939 175.326 176.300 -0.059 0.000 1.129 386 D CA 0.377 54.319 54.000 -0.098 0.000 0.691 386 D CB -0.830 39.924 40.800 -0.075 0.000 1.077 386 D HN 0.295 nan 8.370 nan 0.000 0.432 387 L N -0.215 120.973 121.223 -0.058 0.000 2.416 387 L HA 0.408 4.754 4.340 0.009 0.000 0.262 387 L C 0.918 177.718 176.870 -0.117 0.000 1.093 387 L CA -0.845 53.980 54.840 -0.025 0.000 0.801 387 L CB 0.675 42.781 42.059 0.078 0.000 1.191 387 L HN 0.019 nan 8.230 nan 0.000 0.459 388 D N 0.573 120.929 120.400 -0.074 0.000 2.402 388 D HA 0.018 4.664 4.640 0.009 0.000 0.235 388 D C 0.950 177.073 176.300 -0.295 0.000 1.226 388 D CA -0.198 53.726 54.000 -0.126 0.000 0.918 388 D CB 0.809 41.593 40.800 -0.027 0.000 1.043 388 D HN 0.601 nan 8.370 nan 0.000 0.506 389 T N 0.714 114.911 114.554 -0.595 0.000 3.252 389 T HA 0.093 4.449 4.350 0.009 0.000 0.250 389 T C 1.402 175.799 174.700 -0.505 0.000 1.123 389 T CA 0.030 61.392 62.100 -1.230 0.000 1.006 389 T CB -0.004 68.040 68.868 -1.373 0.000 0.992 389 T HN 0.267 nan 8.240 nan 0.000 0.547 390 R N 0.415 120.788 120.500 -0.212 0.000 2.210 390 R HA 0.195 4.541 4.340 0.009 0.000 0.203 390 R C 0.938 177.271 176.300 0.055 0.000 1.010 390 R CA 0.501 56.566 56.100 -0.058 0.000 1.008 390 R CB 0.186 30.454 30.300 -0.052 0.000 0.923 390 R HN 0.324 nan 8.270 nan 0.000 0.469 391 T N -0.568 114.056 114.554 0.116 0.000 2.886 391 T HA 0.121 4.477 4.350 0.009 0.000 0.292 391 T C 1.169 176.038 174.700 0.281 0.000 1.012 391 T CA -0.601 61.596 62.100 0.163 0.000 0.982 391 T CB 1.773 70.701 68.868 0.101 0.000 1.018 391 T HN 0.237 nan 8.240 nan 0.000 0.451 392 T N 1.245 115.921 114.554 0.203 0.000 2.788 392 T HA -0.129 4.227 4.350 0.009 0.000 0.268 392 T C 2.124 176.876 174.700 0.088 0.000 1.044 392 T CA 1.757 63.934 62.100 0.129 0.000 1.139 392 T CB -0.786 68.112 68.868 0.050 0.000 0.867 392 T HN 0.700 nan 8.240 nan 0.000 0.454 393 S N 2.153 117.905 115.700 0.087 0.000 2.537 393 S HA -0.083 4.393 4.470 0.009 0.000 0.240 393 S C 2.118 176.767 174.600 0.081 0.000 0.981 393 S CA 0.917 59.155 58.200 0.063 0.000 0.948 393 S CB -0.951 62.279 63.200 0.050 0.000 0.759 393 S HN 0.800 nan 8.310 nan 0.000 0.531 394 S N 1.639 117.423 115.700 0.140 0.000 2.522 394 S HA 0.214 4.689 4.470 0.009 0.000 0.227 394 S C 1.000 175.685 174.600 0.141 0.000 0.986 394 S CA 0.302 58.593 58.200 0.151 0.000 0.929 394 S CB -0.935 62.389 63.200 0.207 0.000 0.769 394 S HN 0.627 nan 8.310 nan 0.000 0.529 395 L N 0.747 122.027 121.223 0.095 0.000 3.865 395 L HA -0.169 4.177 4.340 0.009 0.000 0.408 395 L C 1.610 178.507 176.870 0.043 0.000 1.209 395 L CA 0.710 55.553 54.840 0.004 0.000 0.940 395 L CB -2.486 39.581 42.059 0.013 0.000 1.971 395 L HN 0.749 nan 8.230 nan 0.000 0.899 396 W N 0.007 121.319 121.300 0.020 0.000 2.374 396 W HA -0.151 4.515 4.660 0.009 0.000 0.288 396 W C 1.724 178.262 176.519 0.031 0.000 1.218 396 W CA 1.292 58.652 57.345 0.025 0.000 1.245 396 W CB -0.683 28.788 29.460 0.019 0.000 1.126 396 W HN 0.269 nan 8.180 nan 0.000 0.545 397 K N 1.085 121.097 120.400 -0.646 0.000 2.026 397 K HA -0.163 4.162 4.320 0.009 0.000 0.208 397 K C 1.552 178.027 176.600 -0.208 0.000 1.048 397 K CA 2.379 58.297 56.287 -0.616 0.000 0.929 397 K CB -0.351 31.624 32.500 -0.876 0.000 0.713 397 K HN 0.026 nan 8.250 nan 0.000 0.439 398 D N 0.585 120.884 120.400 -0.168 0.000 2.117 398 D HA -0.130 4.515 4.640 0.009 0.000 0.197 398 D C 1.645 177.945 176.300 -0.000 0.000 0.987 398 D CA 1.216 55.171 54.000 -0.075 0.000 0.829 398 D CB 0.038 40.801 40.800 -0.062 0.000 0.961 398 D HN 0.113 nan 8.370 nan 0.000 0.460 399 K N 0.380 120.807 120.400 0.045 0.000 2.025 399 K HA -0.008 4.318 4.320 0.009 0.000 0.207 399 K C 2.201 178.876 176.600 0.124 0.000 1.049 399 K CA 1.140 57.483 56.287 0.093 0.000 0.933 399 K CB -0.140 32.436 32.500 0.127 0.000 0.714 399 K HN 0.090 nan 8.250 nan 0.000 0.438 400 A N 1.426 124.343 122.820 0.162 0.000 1.898 400 A HA -0.098 4.227 4.320 0.009 0.000 0.216 400 A C 2.359 180.036 177.584 0.154 0.000 1.181 400 A CA 1.772 53.932 52.037 0.205 0.000 0.620 400 A CB -0.711 18.452 19.000 0.272 0.000 0.819 400 A HN 0.335 nan 8.150 nan 0.000 0.442 401 A N -0.458 122.410 122.820 0.080 0.000 1.908 401 A HA -0.058 4.268 4.320 0.009 0.000 0.218 401 A C 2.235 179.834 177.584 0.026 0.000 1.181 401 A CA 1.920 53.976 52.037 0.031 0.000 0.627 401 A CB -1.009 17.970 19.000 -0.035 0.000 0.818 401 A HN 0.406 nan 8.150 nan 0.000 0.445 402 V N 0.308 120.244 119.914 0.037 0.000 2.343 402 V HA -0.221 3.905 4.120 0.009 0.000 0.247 402 V C 2.564 178.693 176.094 0.059 0.000 1.051 402 V CA 2.185 64.511 62.300 0.042 0.000 1.036 402 V CB -0.707 31.150 31.823 0.057 0.000 0.654 402 V HN 0.527 nan 8.190 nan 0.000 0.451 403 E N -0.132 120.132 120.200 0.107 0.000 2.106 403 E HA -0.110 4.246 4.350 0.009 0.000 0.192 403 E C 2.117 178.756 176.600 0.064 0.000 0.984 403 E CA 1.125 57.617 56.400 0.154 0.000 0.806 403 E CB -0.276 29.530 29.700 0.176 0.000 0.750 403 E HN 0.588 nan 8.360 nan 0.000 0.458 404 I N 1.512 122.140 120.570 0.096 0.000 2.252 404 I HA -0.238 3.938 4.170 0.009 0.000 0.245 404 I C 2.121 178.203 176.117 -0.059 0.000 1.102 404 I CA 0.779 62.122 61.300 0.072 0.000 1.385 404 I CB -0.283 37.834 38.000 0.194 0.000 1.064 404 I HN 0.071 nan 8.210 nan 0.000 0.414 405 N N 0.731 119.399 118.700 -0.054 0.000 2.188 405 N HA -0.167 4.579 4.740 0.009 0.000 0.184 405 N C 1.926 177.378 175.510 -0.096 0.000 1.018 405 N CA 1.158 54.156 53.050 -0.087 0.000 0.858 405 N CB -0.132 38.313 38.487 -0.071 0.000 0.989 405 N HN 0.202 nan 8.380 nan 0.000 0.426 406 L N 1.590 122.752 121.223 -0.102 0.000 2.046 406 L HA -0.042 4.303 4.340 0.009 0.000 0.208 406 L C 2.252 178.970 176.870 -0.253 0.000 1.077 406 L CA 1.393 56.137 54.840 -0.161 0.000 0.747 406 L CB -0.785 41.154 42.059 -0.200 0.000 0.896 406 L HN 0.047 nan 8.230 nan 0.000 0.432 407 A N -1.158 121.449 122.820 -0.356 0.000 1.902 407 A HA -0.152 4.173 4.320 0.009 0.000 0.217 407 A C 2.269 179.763 177.584 -0.149 0.000 1.181 407 A CA 1.995 53.783 52.037 -0.416 0.000 0.623 407 A CB -1.112 17.353 19.000 -0.891 0.000 0.818 407 A HN 0.297 nan 8.150 nan 0.000 0.443 408 V N 0.056 119.900 119.914 -0.117 0.000 2.287 408 V HA -0.278 3.847 4.120 0.009 0.000 0.248 408 V C 2.586 178.684 176.094 0.006 0.000 1.053 408 V CA 2.052 64.330 62.300 -0.037 0.000 1.027 408 V CB -0.781 30.936 31.823 -0.177 0.000 0.646 408 V HN 0.569 nan 8.190 nan 0.000 0.447 409 L N -0.622 120.569 121.223 -0.054 0.000 1.994 409 L HA -0.227 4.118 4.340 0.009 0.000 0.208 409 L C 2.633 179.530 176.870 0.045 0.000 1.071 409 L CA 2.238 57.066 54.840 -0.020 0.000 0.745 409 L CB -0.822 41.220 42.059 -0.029 0.000 0.892 409 L HN 0.472 nan 8.230 nan 0.000 0.431 410 H N -0.329 118.693 119.070 -0.080 0.000 2.319 410 H HA -0.156 4.405 4.556 0.010 0.000 0.299 410 H C 2.328 177.639 175.328 -0.029 0.000 1.092 410 H CA 2.056 58.050 56.048 -0.090 0.000 1.302 410 H CB 0.007 29.650 29.762 -0.198 0.000 1.373 410 H HN 0.166 nan 8.280 nan 0.000 0.497 411 S N -0.489 115.166 115.700 -0.075 0.000 2.368 411 S HA -0.110 4.366 4.470 0.009 0.000 0.224 411 S C 2.019 176.586 174.600 -0.055 0.000 1.029 411 S CA 1.237 59.375 58.200 -0.102 0.000 0.988 411 S CB -0.511 62.714 63.200 0.042 0.000 0.838 411 S HN 0.387 nan 8.310 nan 0.000 0.462 412 F N 1.911 121.797 119.950 -0.108 0.000 2.134 412 F HA -0.140 4.392 4.527 0.009 0.000 0.299 412 F C 2.807 178.550 175.800 -0.095 0.000 1.097 412 F CA 1.126 59.086 58.000 -0.068 0.000 1.264 412 F CB -0.297 38.686 39.000 -0.028 0.000 1.001 412 F HN 0.201 nan 8.300 nan 0.000 0.479 413 Q N 0.104 119.940 119.800 0.060 0.000 2.084 413 Q HA -0.220 4.126 4.340 0.009 0.000 0.202 413 Q C 2.358 178.296 176.000 -0.104 0.000 0.978 413 Q CA 1.431 57.217 55.803 -0.028 0.000 0.844 413 Q CB -0.350 28.364 28.738 -0.039 0.000 0.898 413 Q HN 0.478 nan 8.270 nan 0.000 0.426 414 L N 0.089 121.187 121.223 -0.208 0.000 1.989 414 L HA -0.184 4.162 4.340 0.009 0.000 0.211 414 L C 1.992 178.773 176.870 -0.147 0.000 1.071 414 L CA 1.330 56.036 54.840 -0.224 0.000 0.749 414 L CB -0.327 41.522 42.059 -0.350 0.000 0.890 414 L HN 0.217 nan 8.230 nan 0.000 0.431 415 A N -0.860 121.867 122.820 -0.155 0.000 2.239 415 A HA -0.094 4.232 4.320 0.009 0.000 0.209 415 A C 0.994 178.511 177.584 -0.111 0.000 1.171 415 A CA 0.391 52.342 52.037 -0.142 0.000 0.768 415 A CB -0.362 18.514 19.000 -0.205 0.000 0.790 415 A HN 0.541 nan 8.150 nan 0.000 0.478 416 K N -1.338 119.011 120.400 -0.085 0.000 3.096 416 K HA -0.129 4.196 4.320 0.009 0.000 0.266 416 K C -0.747 175.826 176.600 -0.045 0.000 1.043 416 K CA 0.638 56.890 56.287 -0.059 0.000 0.758 416 K CB -2.088 30.377 32.500 -0.058 0.000 1.260 416 K HN 0.249 nan 8.250 nan 0.000 0.481 417 V N 1.162 121.061 119.914 -0.024 0.000 2.459 417 V HA 0.155 4.280 4.120 0.009 0.000 0.295 417 V C 0.782 176.968 176.094 0.154 0.000 1.029 417 V CA -0.693 61.628 62.300 0.036 0.000 0.874 417 V CB 1.950 33.727 31.823 -0.077 0.000 0.985 417 V HN 0.246 nan 8.190 nan 0.000 0.438 418 T N 6.437 121.037 114.554 0.076 0.000 2.934 418 T HA 0.426 4.782 4.350 0.009 0.000 0.306 418 T C -0.238 174.517 174.700 0.091 0.000 1.042 418 T CA 0.802 62.867 62.100 -0.059 0.000 1.145 418 T CB 0.123 68.793 68.868 -0.329 0.000 0.982 418 T HN 0.578 nan 8.240 nan 0.000 0.544 419 I N 2.168 122.730 120.570 -0.014 0.000 2.882 419 I HA 0.604 4.779 4.170 0.009 0.000 0.298 419 I C -1.700 174.440 176.117 0.038 0.000 1.462 419 I CA -0.949 60.388 61.300 0.061 0.000 1.000 419 I CB 1.921 39.878 38.000 -0.073 0.000 1.340 419 I HN 0.444 nan 8.210 nan 0.000 0.462 420 V N 5.170 125.169 119.914 0.141 0.000 2.638 420 V HA 0.458 4.584 4.120 0.009 0.000 0.306 420 V C -1.064 175.078 176.094 0.080 0.000 1.052 420 V CA -0.288 62.092 62.300 0.133 0.000 0.885 420 V CB 2.105 34.094 31.823 0.276 0.000 0.999 420 V HN 0.880 nan 8.190 nan 0.000 0.424 421 D N 4.261 124.683 120.400 0.036 0.000 2.360 421 D HA 0.117 4.763 4.640 0.009 0.000 0.242 421 D C 1.308 177.595 176.300 -0.023 0.000 1.184 421 D CA 0.316 54.319 54.000 0.005 0.000 0.930 421 D CB 0.408 41.182 40.800 -0.043 0.000 1.161 421 D HN 0.740 nan 8.370 nan 0.000 0.447 422 H N -0.308 118.676 119.070 -0.143 0.000 2.491 422 H HA -0.125 4.437 4.556 0.009 0.000 0.290 422 H C 0.942 176.156 175.328 -0.190 0.000 1.050 422 H CA 1.252 57.184 56.048 -0.192 0.000 1.309 422 H CB -0.507 29.089 29.762 -0.277 0.000 1.392 422 H HN 0.513 nan 8.280 nan 0.000 0.554 423 H N 1.159 120.016 119.070 -0.355 0.000 2.317 423 H HA 0.174 4.736 4.556 0.009 0.000 0.304 423 H C 2.534 177.835 175.328 -0.045 0.000 1.067 423 H CA 1.320 57.258 56.048 -0.184 0.000 1.352 423 H CB -0.340 29.286 29.762 -0.226 0.000 1.398 423 H HN 0.496 nan 8.280 nan 0.000 0.510 424 A N 1.448 124.318 122.820 0.084 0.000 1.902 424 A HA -0.091 4.234 4.320 0.009 0.000 0.217 424 A C 2.686 180.338 177.584 0.114 0.000 1.181 424 A CA 1.800 53.892 52.037 0.091 0.000 0.623 424 A CB -0.839 18.206 19.000 0.075 0.000 0.818 424 A HN 0.429 nan 8.150 nan 0.000 0.443 425 A N -0.197 122.688 122.820 0.108 0.000 1.902 425 A HA -0.128 4.197 4.320 0.009 0.000 0.217 425 A C 2.452 180.129 177.584 0.155 0.000 1.181 425 A CA 2.651 54.770 52.037 0.136 0.000 0.623 425 A CB -1.417 17.648 19.000 0.109 0.000 0.818 425 A HN 0.766 nan 8.150 nan 0.000 0.443 426 T N -2.873 111.757 114.554 0.127 0.000 2.904 426 T HA -0.048 4.307 4.350 0.009 0.000 0.267 426 T C 1.682 176.511 174.700 0.215 0.000 1.059 426 T CA 1.271 63.472 62.100 0.167 0.000 1.137 426 T CB -0.640 68.296 68.868 0.114 0.000 0.879 426 T HN 0.048 nan 8.240 nan 0.000 0.467 427 V N 2.863 122.878 119.914 0.168 0.000 2.343 427 V HA -0.166 3.960 4.120 0.009 0.000 0.247 427 V C 3.205 179.391 176.094 0.154 0.000 1.051 427 V CA 2.112 64.501 62.300 0.149 0.000 1.036 427 V CB -0.895 30.997 31.823 0.115 0.000 0.654 427 V HN 0.799 nan 8.190 nan 0.000 0.451 428 S N -0.434 115.367 115.700 0.168 0.000 2.428 428 S HA -0.182 4.293 4.470 0.009 0.000 0.230 428 S C 1.932 176.658 174.600 0.210 0.000 1.014 428 S CA 1.305 59.605 58.200 0.166 0.000 0.957 428 S CB -0.675 62.626 63.200 0.169 0.000 0.784 428 S HN 0.516 nan 8.310 nan 0.000 0.499 429 F N 2.193 122.206 119.950 0.105 0.000 2.234 429 F HA 0.148 4.680 4.527 0.009 0.000 0.299 429 F C 2.192 178.081 175.800 0.147 0.000 1.087 429 F CA 1.018 59.094 58.000 0.126 0.000 1.340 429 F CB -0.301 38.752 39.000 0.089 0.000 1.031 429 F HN 0.096 nan 8.300 nan 0.000 0.500 430 M N 0.059 119.736 119.600 0.128 0.000 2.159 430 M HA -0.159 4.326 4.480 0.009 0.000 0.263 430 M C 2.166 178.445 176.300 -0.036 0.000 1.063 430 M CA 1.393 56.711 55.300 0.031 0.000 1.110 430 M CB -1.172 31.493 32.600 0.109 0.000 1.374 430 M HN 0.070 nan 8.290 nan 0.000 0.411 431 K N -0.187 120.222 120.400 0.015 0.000 2.097 431 K HA -0.191 4.134 4.320 0.009 0.000 0.205 431 K C 1.953 178.538 176.600 -0.026 0.000 1.050 431 K CA 1.678 57.970 56.287 0.008 0.000 0.938 431 K CB -0.613 31.915 32.500 0.048 0.000 0.718 431 K HN 0.376 nan 8.250 nan 0.000 0.442 432 H N 0.063 119.048 119.070 -0.143 0.000 2.353 432 H HA -0.004 4.558 4.556 0.009 0.000 0.300 432 H C 1.682 176.853 175.328 -0.262 0.000 1.090 432 H CA 2.181 58.121 56.048 -0.181 0.000 1.327 432 H CB -0.174 29.453 29.762 -0.225 0.000 1.383 432 H HN 0.169 nan 8.280 nan 0.000 0.508 433 L N 0.021 120.959 121.223 -0.474 0.000 2.046 433 L HA -0.180 4.165 4.340 0.009 0.000 0.208 433 L C 2.450 179.164 176.870 -0.259 0.000 1.077 433 L CA 1.767 56.352 54.840 -0.424 0.000 0.747 433 L CB -0.474 41.390 42.059 -0.326 0.000 0.896 433 L HN 0.486 nan 8.230 nan 0.000 0.432 434 D N -0.056 120.238 120.400 -0.175 0.000 2.144 434 D HA -0.167 4.479 4.640 0.009 0.000 0.200 434 D C 1.712 177.942 176.300 -0.115 0.000 0.978 434 D CA 0.968 54.902 54.000 -0.110 0.000 0.833 434 D CB 0.145 40.907 40.800 -0.062 0.000 0.961 434 D HN 0.303 nan 8.370 nan 0.000 0.470 435 N N 1.009 119.627 118.700 -0.136 0.000 2.120 435 N HA -0.130 4.616 4.740 0.009 0.000 0.188 435 N C 1.668 177.093 175.510 -0.142 0.000 1.024 435 N CA 0.826 53.813 53.050 -0.104 0.000 0.852 435 N CB -0.328 38.122 38.487 -0.061 0.000 1.003 435 N HN 0.317 nan 8.380 nan 0.000 0.424 436 E N 0.534 120.569 120.200 -0.275 0.000 2.208 436 E HA -0.134 4.222 4.350 0.009 0.000 0.193 436 E C 1.825 178.329 176.600 -0.160 0.000 0.988 436 E CA 0.446 56.690 56.400 -0.261 0.000 0.828 436 E CB -0.070 29.369 29.700 -0.434 0.000 0.763 436 E HN 0.323 nan 8.360 nan 0.000 0.478 437 Q N 1.581 121.296 119.800 -0.142 0.000 2.084 437 Q HA -0.124 4.221 4.340 0.009 0.000 0.202 437 Q C 1.796 177.751 176.000 -0.074 0.000 0.978 437 Q CA 1.685 57.434 55.803 -0.091 0.000 0.844 437 Q CB 0.036 28.729 28.738 -0.076 0.000 0.898 437 Q HN 0.126 nan 8.270 nan 0.000 0.426 438 K N -0.845 119.513 120.400 -0.070 0.000 2.062 438 K HA 0.013 4.338 4.320 0.009 0.000 0.205 438 K C 2.019 178.591 176.600 -0.047 0.000 1.051 438 K CA 1.052 57.308 56.287 -0.052 0.000 0.941 438 K CB -0.173 32.303 32.500 -0.041 0.000 0.719 438 K HN 0.237 nan 8.250 nan 0.000 0.440 439 A N 1.199 123.990 122.820 -0.048 0.000 1.930 439 A HA -0.053 4.272 4.320 0.009 0.000 0.215 439 A C 1.803 179.362 177.584 -0.042 0.000 1.176 439 A CA 1.093 53.112 52.037 -0.029 0.000 0.632 439 A CB 0.006 19.006 19.000 -0.001 0.000 0.819 439 A HN 0.151 nan 8.150 nan 0.000 0.445 440 R N -2.603 117.859 120.500 -0.064 0.000 2.521 440 R HA 0.254 4.599 4.340 0.009 0.000 0.289 440 R C 0.865 177.127 176.300 -0.064 0.000 0.936 440 R CA 0.570 56.634 56.100 -0.061 0.000 1.089 440 R CB 0.725 30.983 30.300 -0.070 0.000 1.348 440 R HN 0.694 nan 8.270 nan 0.000 0.536 441 G N 0.934 109.690 108.800 -0.073 0.000 2.137 441 G HA2 -0.181 3.784 3.960 0.009 0.000 0.237 441 G HA3 -0.181 3.784 3.960 0.009 0.000 0.237 441 G C 0.231 175.099 174.900 -0.054 0.000 1.002 441 G CA 0.054 45.103 45.100 -0.085 0.000 0.702 441 G HN 0.736 nan 8.290 nan 0.000 0.515 442 G N -2.376 106.404 108.800 -0.034 0.000 2.359 442 G HA2 0.533 4.498 3.960 0.009 0.000 0.293 442 G HA3 0.533 4.498 3.960 0.009 0.000 0.293 442 G C -0.808 174.102 174.900 0.016 0.000 1.300 442 G CA 0.451 45.565 45.100 0.023 0.000 0.888 442 G HN 1.970 nan 8.290 nan 0.000 0.541 443 C N 1.931 121.269 119.300 0.064 0.000 2.817 443 C HA 0.705 5.171 4.460 0.009 0.000 0.385 443 C C -2.559 172.413 174.990 -0.030 0.000 1.050 443 C CA -1.101 57.910 59.018 -0.010 0.000 1.245 443 C CB 1.290 28.965 27.740 -0.110 0.000 1.706 443 C HN 0.726 nan 8.230 nan 0.000 0.488 444 P HA 0.399 nan 4.420 nan 0.000 0.271 444 P C -0.658 176.542 177.300 -0.166 0.000 1.226 444 P CA 0.589 63.327 63.100 -0.603 0.000 0.765 444 P CB 1.045 32.134 31.700 -1.017 0.000 0.835 445 A N 2.819 125.610 122.820 -0.048 0.000 2.455 445 A HA 0.392 4.718 4.320 0.009 0.000 0.300 445 A C -0.937 176.700 177.584 0.088 0.000 1.040 445 A CA -0.584 51.514 52.037 0.101 0.000 0.697 445 A CB 1.264 20.450 19.000 0.310 0.000 1.265 445 A HN 0.447 nan 8.150 nan 0.000 0.407 446 D N 2.131 122.570 120.400 0.065 0.000 2.456 446 D HA 0.114 4.760 4.640 0.009 0.000 0.219 446 D C 0.846 177.268 176.300 0.202 0.000 1.126 446 D CA -0.435 53.635 54.000 0.117 0.000 0.890 446 D CB 0.336 41.152 40.800 0.028 0.000 1.025 446 D HN 0.610 nan 8.370 nan 0.000 0.511 447 W N 4.366 125.703 121.300 0.063 0.000 2.302 447 W HA -0.325 4.340 4.660 0.010 0.000 0.320 447 W C 2.000 178.548 176.519 0.048 0.000 1.241 447 W CA 2.542 59.910 57.345 0.037 0.000 1.264 447 W CB -0.078 29.380 29.460 -0.003 0.000 1.154 447 W HN 0.554 nan 8.180 nan 0.000 0.483 448 A N -1.209 121.886 122.820 0.457 0.000 1.978 448 A HA -0.224 4.101 4.320 0.009 0.000 0.220 448 A C 1.532 179.167 177.584 0.086 0.000 1.170 448 A CA 1.758 53.980 52.037 0.308 0.000 0.636 448 A CB -1.327 17.893 19.000 0.368 0.000 0.810 448 A HN 0.557 nan 8.150 nan 0.000 0.448 449 W N -0.960 120.301 121.300 -0.064 0.000 2.704 449 W HA 0.193 4.858 4.660 0.009 0.000 0.266 449 W C 1.871 178.268 176.519 -0.204 0.000 1.266 449 W CA -0.050 57.235 57.345 -0.101 0.000 1.377 449 W CB -0.006 29.425 29.460 -0.049 0.000 1.082 449 W HN 0.143 nan 8.180 nan 0.000 0.608 450 I N -0.242 120.275 120.570 -0.088 0.000 2.333 450 I HA -0.069 4.107 4.170 0.009 0.000 0.246 450 I C 0.670 176.569 176.117 -0.362 0.000 1.106 450 I CA 0.781 61.900 61.300 -0.303 0.000 1.411 450 I CB -1.444 36.310 38.000 -0.411 0.000 1.082 450 I HN -0.422 nan 8.210 nan 0.000 0.420 451 V N 3.996 123.598 119.914 -0.521 0.000 2.521 451 V HA 0.071 4.197 4.120 0.009 0.000 0.286 451 V C -1.911 173.991 176.094 -0.319 0.000 1.034 451 V CA -1.012 60.974 62.300 -0.525 0.000 1.045 451 V CB 0.149 31.387 31.823 -0.976 0.000 0.974 451 V HN 0.126 nan 8.190 nan 0.000 0.480 452 P HA 0.124 nan 4.420 nan 0.000 0.269 452 P C -1.751 175.421 177.300 -0.212 0.000 1.215 452 P CA -1.126 61.853 63.100 -0.201 0.000 0.780 452 P CB 0.064 31.666 31.700 -0.165 0.000 0.898 453 P HA -0.024 nan 4.420 nan 0.000 0.230 453 P C 0.163 177.346 177.300 -0.194 0.000 1.158 453 P CA 1.174 64.151 63.100 -0.205 0.000 0.769 453 P CB 0.050 31.621 31.700 -0.214 0.000 0.807 454 I N -6.590 113.826 120.570 -0.258 0.000 2.828 454 I HA 0.462 4.637 4.170 0.009 0.000 0.302 454 I C 0.015 176.013 176.117 -0.198 0.000 1.101 454 I CA -1.248 59.915 61.300 -0.228 0.000 1.031 454 I CB 1.961 39.797 38.000 -0.274 0.000 1.231 454 I HN -0.401 nan 8.210 nan 0.000 0.427 455 S N 2.114 117.759 115.700 -0.091 0.000 3.533 455 S HA -0.205 4.271 4.470 0.009 0.000 0.347 455 S C 1.414 176.005 174.600 -0.015 0.000 1.101 455 S CA 0.825 59.021 58.200 -0.007 0.000 1.009 455 S CB -1.768 61.510 63.200 0.130 0.000 0.916 455 S HN 1.284 nan 8.310 nan 0.000 0.496 456 G N 2.287 111.054 108.800 -0.055 0.000 2.681 456 G HA2 -0.355 3.610 3.960 0.009 0.000 0.220 456 G HA3 -0.355 3.610 3.960 0.009 0.000 0.220 456 G C 1.400 176.224 174.900 -0.126 0.000 1.210 456 G CA 1.619 46.709 45.100 -0.017 0.000 0.783 456 G HN 1.338 nan 8.290 nan 0.000 0.609 457 S N 0.208 115.566 115.700 -0.570 0.000 2.607 457 S HA 0.236 4.712 4.470 0.009 0.000 0.224 457 S C 1.996 176.513 174.600 -0.138 0.000 0.969 457 S CA 0.416 58.097 58.200 -0.865 0.000 0.927 457 S CB -0.080 62.371 63.200 -1.248 0.000 0.772 457 S HN 0.330 nan 8.310 nan 0.000 0.533 458 L N 1.872 123.085 121.223 -0.016 0.000 2.509 458 L HA 0.140 4.486 4.340 0.009 0.000 0.222 458 L C 1.307 178.302 176.870 0.207 0.000 1.123 458 L CA 0.493 55.406 54.840 0.121 0.000 0.856 458 L CB -0.749 41.409 42.059 0.166 0.000 0.985 458 L HN 0.471 nan 8.230 nan 0.000 0.456 459 T N -3.914 110.751 114.554 0.185 0.000 2.929 459 T HA 0.286 4.642 4.350 0.009 0.000 0.284 459 T C -1.593 173.254 174.700 0.246 0.000 1.014 459 T CA -1.989 60.239 62.100 0.213 0.000 1.051 459 T CB 1.820 70.774 68.868 0.143 0.000 1.028 459 T HN -0.176 nan 8.240 nan 0.000 0.485 460 P HA -0.088 nan 4.420 nan 0.000 0.220 460 P C 1.798 179.284 177.300 0.310 0.000 1.148 460 P CA 1.045 64.339 63.100 0.323 0.000 0.803 460 P CB -0.344 31.498 31.700 0.238 0.000 0.782 461 V N -3.604 116.443 119.914 0.221 0.000 2.594 461 V HA -0.201 3.924 4.120 0.009 0.000 0.253 461 V C 2.395 178.576 176.094 0.146 0.000 1.069 461 V CA 1.212 63.621 62.300 0.181 0.000 1.082 461 V CB -2.288 29.578 31.823 0.073 0.000 0.680 461 V HN -0.110 nan 8.190 nan 0.000 0.469 462 F N 1.860 121.760 119.950 -0.083 0.000 2.154 462 F HA -0.209 4.323 4.527 0.009 0.000 0.301 462 F C 2.462 178.353 175.800 0.152 0.000 1.087 462 F CA 2.336 60.306 58.000 -0.050 0.000 1.274 462 F CB -0.234 38.586 39.000 -0.300 0.000 1.009 462 F HN 0.289 nan 8.300 nan 0.000 0.485 463 H N -1.013 118.404 119.070 0.577 0.000 2.539 463 H HA 0.111 4.673 4.556 0.009 0.000 0.267 463 H C 0.273 175.852 175.328 0.419 0.000 0.982 463 H CA 0.245 56.583 56.048 0.483 0.000 1.146 463 H CB -0.277 29.739 29.762 0.424 0.000 1.382 463 H HN 0.264 nan 8.280 nan 0.000 0.577 464 Q N 1.965 122.038 119.800 0.455 0.000 2.340 464 Q HA 0.168 4.514 4.340 0.009 0.000 0.259 464 Q C -0.547 175.680 176.000 0.380 0.000 0.964 464 Q CA -0.411 55.616 55.803 0.373 0.000 0.900 464 Q CB 0.817 29.743 28.738 0.313 0.000 1.228 464 Q HN 0.230 nan 8.270 nan 0.000 0.449 465 E N 3.253 123.628 120.200 0.293 0.000 2.390 465 E HA 0.284 4.640 4.350 0.009 0.000 0.261 465 E C -0.486 176.246 176.600 0.221 0.000 1.076 465 E CA 0.245 56.770 56.400 0.209 0.000 0.905 465 E CB 0.834 30.639 29.700 0.175 0.000 0.984 465 E HN 0.600 nan 8.360 nan 0.000 0.427 466 M N 1.235 120.963 119.600 0.214 0.000 2.550 466 M HA 0.370 4.856 4.480 0.009 0.000 0.292 466 M C -1.275 175.132 176.300 0.178 0.000 1.221 466 M CA -0.979 54.456 55.300 0.224 0.000 0.873 466 M CB 2.415 35.203 32.600 0.312 0.000 1.727 466 M HN 0.160 nan 8.290 nan 0.000 0.459 467 V N 1.450 121.477 119.914 0.189 0.000 2.459 467 V HA 0.458 4.583 4.120 0.009 0.000 0.295 467 V C -0.663 175.539 176.094 0.181 0.000 1.029 467 V CA -0.724 61.716 62.300 0.233 0.000 0.874 467 V CB 1.674 33.703 31.823 0.344 0.000 0.985 467 V HN 0.890 nan 8.190 nan 0.000 0.438 468 N N 3.205 122.007 118.700 0.170 0.000 2.342 468 N HA 0.706 5.451 4.740 0.009 0.000 0.293 468 N C -1.712 173.868 175.510 0.116 0.000 1.026 468 N CA -0.421 52.633 53.050 0.007 0.000 0.857 468 N CB 1.918 40.426 38.487 0.036 0.000 1.256 468 N HN 0.752 nan 8.380 nan 0.000 0.484 469 Y N 0.783 121.102 120.300 0.031 0.000 2.677 469 Y HA 0.494 5.050 4.550 0.009 0.000 0.334 469 Y C -1.356 174.546 175.900 0.004 0.000 1.196 469 Y CA -1.174 56.938 58.100 0.020 0.000 1.059 469 Y CB 0.765 39.242 38.460 0.028 0.000 1.315 469 Y HN 0.170 nan 8.280 nan 0.000 0.455 470 I N 3.513 124.176 120.570 0.155 0.000 2.315 470 I HA 0.409 4.585 4.170 0.009 0.000 0.291 470 I C -0.678 175.505 176.117 0.110 0.000 1.006 470 I CA -0.429 60.908 61.300 0.061 0.000 1.265 470 I CB 0.936 38.957 38.000 0.035 0.000 1.387 470 I HN 0.426 nan 8.210 nan 0.000 0.475 471 L N 4.959 126.214 121.223 0.054 0.000 2.319 471 L HA 0.591 4.937 4.340 0.009 0.000 0.267 471 L C -0.066 176.803 176.870 -0.001 0.000 1.011 471 L CA -0.571 54.307 54.840 0.062 0.000 0.818 471 L CB 2.095 44.193 42.059 0.066 0.000 1.316 471 L HN 0.507 nan 8.230 nan 0.000 0.432 472 S N 1.003 116.712 115.700 0.014 0.000 2.542 472 S HA 0.636 5.112 4.470 0.009 0.000 0.293 472 S C -2.624 171.991 174.600 0.024 0.000 1.089 472 S CA -1.441 56.753 58.200 -0.010 0.000 0.961 472 S CB 1.960 65.170 63.200 0.017 0.000 1.062 472 S HN 0.224 nan 8.310 nan 0.000 0.483 473 P HA 0.350 nan 4.420 nan 0.000 0.267 473 P C -1.273 175.896 177.300 -0.219 0.000 1.201 473 P CA 0.120 63.129 63.100 -0.152 0.000 0.775 473 P CB 0.458 32.025 31.700 -0.221 0.000 0.854 474 A N 1.649 124.298 122.820 -0.285 0.000 2.612 474 A HA 0.686 5.011 4.320 0.009 0.000 0.293 474 A C -1.618 175.735 177.584 -0.385 0.000 1.075 474 A CA -0.517 51.344 52.037 -0.293 0.000 0.680 474 A CB 0.813 19.725 19.000 -0.148 0.000 1.279 474 A HN 0.338 nan 8.150 nan 0.000 0.411 475 F N 0.975 120.826 119.950 -0.165 0.000 2.420 475 F HA 0.664 5.196 4.527 0.008 0.000 0.342 475 F C 0.953 176.628 175.800 -0.209 0.000 1.113 475 F CA 0.004 57.904 58.000 -0.167 0.000 1.059 475 F CB 1.809 40.663 39.000 -0.243 0.000 1.128 475 F HN 0.535 nan 8.300 nan 0.000 0.475 476 R N 1.864 122.372 120.500 0.015 0.000 2.837 476 R HA 0.467 4.812 4.340 0.009 0.000 0.271 476 R C -1.556 174.696 176.300 -0.079 0.000 0.993 476 R CA -1.223 54.807 56.100 -0.116 0.000 0.931 476 R CB 1.754 32.027 30.300 -0.044 0.000 1.206 476 R HN 0.414 nan 8.270 nan 0.000 0.474 477 Y N 1.294 121.613 120.300 0.032 0.000 2.314 477 Y HA 0.155 4.711 4.550 0.009 0.000 0.334 477 Y C 0.617 176.516 175.900 -0.002 0.000 1.266 477 Y CA -0.169 57.941 58.100 0.016 0.000 1.391 477 Y CB 0.829 39.285 38.460 -0.006 0.000 1.306 477 Y HN 0.441 nan 8.280 nan 0.000 0.558 478 Q N 0.994 120.886 119.800 0.153 0.000 2.416 478 Q HA 0.643 4.989 4.340 0.009 0.000 0.281 478 Q C -3.062 172.911 176.000 -0.045 0.000 1.067 478 Q CA -2.425 53.402 55.803 0.040 0.000 0.809 478 Q CB 1.749 30.504 28.738 0.028 0.000 1.418 478 Q HN 0.315 nan 8.270 nan 0.000 0.411 479 P HA 0.070 nan 4.420 nan 0.000 0.269 479 P C -0.917 176.178 177.300 -0.342 0.000 1.209 479 P CA -0.016 62.962 63.100 -0.204 0.000 0.776 479 P CB 0.396 31.988 31.700 -0.180 0.000 0.876 480 D N 3.679 123.742 120.400 -0.561 0.000 2.455 480 D HA -0.025 4.620 4.640 0.009 0.000 0.241 480 D C -0.971 174.764 176.300 -0.942 0.000 1.138 480 D CA -0.731 52.669 54.000 -1.001 0.000 0.877 480 D CB 0.418 40.104 40.800 -1.857 0.000 1.187 480 D HN 0.307 nan 8.370 nan 0.000 0.451 481 P HA -0.117 nan 4.420 nan 0.000 0.219 481 P C 0.448 177.440 177.300 -0.512 0.000 1.146 481 P CA 0.981 63.724 63.100 -0.596 0.000 0.808 481 P CB 0.106 31.431 31.700 -0.624 0.000 0.779 482 W N 0.000 120.894 121.300 -0.677 0.000 2.388 482 W HA 0.000 4.665 4.660 0.009 0.000 0.303 482 W CA 0.000 57.097 57.345 -0.413 0.000 1.226 482 W CB 0.000 29.191 29.460 -0.448 0.000 1.126 482 W HN 0.000 nan 8.180 nan 0.000 0.535