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 2imr_1_A DATA FIRST_RESID 34 DATA SEQUENCE HTPRLLTCDV LYTXXXGAQS PGGVVVVGET VAAAGHPDEL RRQYPHAAEE DATA SEQUENCE RAGAVIAPPP VNAHTHLDMS AYEFQALPYF QWIPEVVIRG RHLRGVAAAQ DATA SEQUENCE AGADTLTRLG AGGVGDIVWA PEVMDALLAR EDLSGTLYFE VLNPFPDKAD DATA SEQUENCE EVFAAARTHL ERWRRLERPG LRLGLSPHTP FTVSHRLMRL LSDYAAGEGL DATA SEQUENCE PLQIHVAEHP TELEMFRTGG GPLWDNRMPA LYPHTLAEVI GREPGPDLTP DATA SEQUENCE VRYLDELGVL AARPTLVHMV NVTPDDIARV ARAGCAVVTC PRSNHHLECG DATA SEQUENCE TFDWPAFAAA GVEVALGTDS VASGETLNVR EEVTFARQLY PGLDPRVLVR DATA SEQUENCE AAVKGGQRVV GXXTPFLRRG ETWQEGFRWE LSRDL 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 34 H HA 0.000 nan 4.556 nan 0.000 0.296 34 H C 0.000 175.339 175.328 0.018 0.000 0.993 34 H CA 0.000 56.057 56.048 0.015 0.000 1.023 34 H CB 0.000 29.771 29.762 0.015 0.000 1.292 35 T N 3.749 118.596 114.554 0.487 0.000 3.008 35 T HA 0.372 4.726 4.350 0.008 0.000 0.328 35 T C -2.728 172.072 174.700 0.167 0.000 1.020 35 T CA -0.925 61.324 62.100 0.248 0.000 1.043 35 T CB 1.679 70.645 68.868 0.164 0.000 1.010 35 T HN 0.155 nan 8.240 nan 0.000 0.466 36 P HA 0.322 nan 4.420 nan 0.000 0.271 36 P C -0.335 176.921 177.300 -0.073 0.000 1.218 36 P CA -0.485 62.584 63.100 -0.051 0.000 0.780 36 P CB 0.673 32.330 31.700 -0.071 0.000 0.901 37 R N 1.892 122.297 120.500 -0.159 0.000 2.534 37 R HA 0.526 4.871 4.340 0.008 0.000 0.301 37 R C -1.056 175.113 176.300 -0.219 0.000 0.961 37 R CA -1.120 54.891 56.100 -0.148 0.000 0.871 37 R CB 1.538 31.751 30.300 -0.145 0.000 1.170 37 R HN 0.326 nan 8.270 nan 0.000 0.446 38 L N 4.823 125.948 121.223 -0.163 0.000 2.264 38 L HA 0.360 4.704 4.340 0.008 0.000 0.287 38 L C -1.074 175.703 176.870 -0.155 0.000 1.039 38 L CA -0.197 54.540 54.840 -0.172 0.000 0.829 38 L CB 0.738 42.736 42.059 -0.102 0.000 1.211 38 L HN 0.508 nan 8.230 nan 0.000 0.427 39 L N 5.010 126.107 121.223 -0.210 0.000 2.265 39 L HA 0.495 4.840 4.340 0.008 0.000 0.288 39 L C 0.474 177.269 176.870 -0.124 0.000 1.058 39 L CA -0.526 54.214 54.840 -0.167 0.000 0.809 39 L CB 1.116 43.027 42.059 -0.247 0.000 1.179 39 L HN 0.664 nan 8.230 nan 0.000 0.429 40 T N -0.417 114.090 114.554 -0.079 0.000 2.895 40 T HA 0.696 5.051 4.350 0.008 0.000 0.283 40 T C -0.075 174.595 174.700 -0.049 0.000 1.014 40 T CA -0.735 61.322 62.100 -0.072 0.000 1.037 40 T CB 1.835 70.664 68.868 -0.066 0.000 1.006 40 T HN 0.816 nan 8.240 nan 0.000 0.468 41 C N 0.859 120.123 119.300 -0.061 0.000 3.285 41 C HA 0.680 5.144 4.460 0.008 0.000 0.320 41 C C 0.740 175.692 174.990 -0.064 0.000 1.411 41 C CA -0.743 58.247 59.018 -0.048 0.000 1.429 41 C CB 1.049 28.762 27.740 -0.045 0.000 1.812 41 C HN 0.828 nan 8.230 nan 0.000 0.454 42 D N 0.053 120.420 120.400 -0.056 0.000 2.183 42 D HA 0.135 4.780 4.640 0.008 0.000 0.205 42 D C 0.241 176.500 176.300 -0.069 0.000 0.962 42 D CA 1.434 55.401 54.000 -0.056 0.000 0.849 42 D CB 0.387 41.165 40.800 -0.037 0.000 0.978 42 D HN 0.441 nan 8.370 nan 0.000 0.488 43 V N 1.600 121.461 119.914 -0.088 0.000 2.623 43 V HA 0.296 4.420 4.120 0.008 0.000 0.304 43 V C -0.924 175.098 176.094 -0.118 0.000 1.054 43 V CA -0.957 61.285 62.300 -0.096 0.000 0.882 43 V CB 2.627 34.385 31.823 -0.109 0.000 1.002 43 V HN -0.057 nan 8.190 nan 0.000 0.424 44 L N 5.297 126.476 121.223 -0.074 0.000 2.341 44 L HA 0.742 5.086 4.340 0.008 0.000 0.278 44 L C -1.556 175.322 176.870 0.015 0.000 1.005 44 L CA -0.298 54.505 54.840 -0.062 0.000 0.818 44 L CB 1.628 43.650 42.059 -0.063 0.000 1.259 44 L HN 0.651 nan 8.230 nan 0.000 0.418 45 Y N 3.826 124.042 120.300 -0.141 0.000 2.329 45 Y HA 0.591 5.146 4.550 0.008 0.000 0.328 45 Y C -0.025 175.811 175.900 -0.107 0.000 0.992 45 Y CA -0.399 57.639 58.100 -0.103 0.000 1.151 45 Y CB 1.372 39.775 38.460 -0.094 0.000 1.150 45 Y HN 0.897 nan 8.280 nan 0.000 0.450 51 A N 1.303 124.306 122.820 0.306 0.000 2.271 51 A HA 0.885 5.209 4.320 0.008 0.000 0.288 51 A C 0.153 177.806 177.584 0.114 0.000 1.094 51 A CA -0.427 51.778 52.037 0.280 0.000 0.828 51 A CB 0.890 19.987 19.000 0.162 0.000 1.091 51 A HN 0.746 nan 8.150 nan 0.000 0.493 52 Q N -0.115 119.725 119.800 0.067 0.000 2.372 52 Q HA 0.653 4.997 4.340 0.008 0.000 0.273 52 Q C -1.152 174.847 176.000 -0.001 0.000 1.078 52 Q CA -0.680 55.145 55.803 0.035 0.000 0.806 52 Q CB 2.203 30.958 28.738 0.028 0.000 1.332 52 Q HN 0.618 nan 8.270 nan 0.000 0.435 53 S N 1.600 117.302 115.700 0.005 0.000 2.603 53 S HA 0.555 5.030 4.470 0.008 0.000 0.274 53 S C -2.658 171.936 174.600 -0.010 0.000 1.168 53 S CA -0.959 57.224 58.200 -0.028 0.000 0.963 53 S CB 1.025 64.211 63.200 -0.024 0.000 1.078 53 S HN 0.397 nan 8.310 nan 0.000 0.477 54 P HA 0.550 nan 4.420 nan 0.000 0.274 54 P C -0.124 177.039 177.300 -0.228 0.000 1.260 54 P CA -0.288 62.718 63.100 -0.158 0.000 0.793 54 P CB 0.458 32.047 31.700 -0.186 0.000 1.048 55 G N -1.905 106.784 108.800 -0.184 0.000 2.680 55 G HA2 0.698 4.662 3.960 0.008 0.000 0.290 55 G HA3 0.698 4.662 3.960 0.008 0.000 0.290 55 G C -1.281 173.531 174.900 -0.146 0.000 1.355 55 G CA -0.633 44.371 45.100 -0.160 0.000 0.903 55 G HN 0.702 nan 8.290 nan 0.000 0.474 56 G N -1.881 106.846 108.800 -0.121 0.000 2.673 56 G HA2 0.626 4.591 3.960 0.008 0.000 0.292 56 G HA3 0.626 4.591 3.960 0.008 0.000 0.292 56 G C -2.012 172.816 174.900 -0.121 0.000 1.450 56 G CA -0.392 44.637 45.100 -0.118 0.000 0.837 56 G HN 1.189 nan 8.290 nan 0.000 0.505 57 V N 0.479 120.286 119.914 -0.178 0.000 2.668 57 V HA 0.491 4.616 4.120 0.008 0.000 0.304 57 V C -0.323 175.574 176.094 -0.329 0.000 1.071 57 V CA -0.750 61.409 62.300 -0.235 0.000 0.894 57 V CB 1.741 33.383 31.823 -0.301 0.000 1.008 57 V HN 0.695 nan 8.190 nan 0.000 0.425 58 V N 5.548 125.265 119.914 -0.328 0.000 2.407 58 V HA 0.504 4.628 4.120 0.008 0.000 0.278 58 V C -0.087 175.761 176.094 -0.409 0.000 1.037 58 V CA -0.371 61.664 62.300 -0.440 0.000 0.900 58 V CB 1.714 33.097 31.823 -0.733 0.000 0.983 58 V HN 0.623 nan 8.190 nan 0.000 0.459 59 V N 5.625 125.292 119.914 -0.411 0.000 2.555 59 V HA 0.510 4.635 4.120 0.008 0.000 0.302 59 V C -0.297 175.642 176.094 -0.258 0.000 1.038 59 V CA -0.632 61.458 62.300 -0.350 0.000 0.887 59 V CB 2.153 33.666 31.823 -0.517 0.000 0.991 59 V HN 0.567 nan 8.190 nan 0.000 0.434 60 V N 4.553 124.346 119.914 -0.201 0.000 2.349 60 V HA 0.772 4.896 4.120 0.008 0.000 0.284 60 V C 0.899 176.821 176.094 -0.287 0.000 1.014 60 V CA 0.725 62.893 62.300 -0.220 0.000 0.826 60 V CB 0.386 32.122 31.823 -0.145 0.000 1.009 60 V HN 1.288 nan 8.190 nan 0.000 0.431 61 G N 5.305 113.862 108.800 -0.405 0.000 2.595 61 G HA2 -0.263 3.702 3.960 0.008 0.000 0.297 61 G HA3 -0.263 3.702 3.960 0.008 0.000 0.297 61 G C 0.377 175.220 174.900 -0.094 0.000 1.181 61 G CA 0.652 45.557 45.100 -0.325 0.000 0.963 61 G HN 0.659 nan 8.290 nan 0.000 0.541 62 E N 0.731 120.915 120.200 -0.027 0.000 2.734 62 E HA 0.349 4.704 4.350 0.008 0.000 0.211 62 E C -0.430 176.243 176.600 0.122 0.000 0.991 62 E CA 0.263 56.715 56.400 0.087 0.000 1.065 62 E CB 1.056 30.798 29.700 0.070 0.000 1.047 62 E HN 0.336 nan 8.360 nan 0.000 0.470 63 T N 0.781 115.368 114.554 0.055 0.000 2.841 63 T HA 0.275 4.629 4.350 0.008 0.000 0.283 63 T C 0.018 174.745 174.700 0.045 0.000 1.000 63 T CA -0.553 61.590 62.100 0.071 0.000 0.977 63 T CB 2.376 71.258 68.868 0.024 0.000 0.979 63 T HN -0.184 nan 8.240 nan 0.000 0.446 64 V N 3.047 123.023 119.914 0.102 0.000 2.521 64 V HA 0.305 4.430 4.120 0.008 0.000 0.286 64 V C 1.253 177.341 176.094 -0.011 0.000 1.034 64 V CA 0.159 62.485 62.300 0.043 0.000 1.045 64 V CB 0.559 32.459 31.823 0.127 0.000 0.974 64 V HN 1.163 nan 8.190 nan 0.000 0.480 65 A N 4.301 127.070 122.820 -0.086 0.000 1.911 65 A HA 0.713 5.038 4.320 0.008 0.000 0.212 65 A C 0.993 178.570 177.584 -0.011 0.000 1.189 65 A CA 0.975 52.977 52.037 -0.057 0.000 0.639 65 A CB 0.121 19.027 19.000 -0.158 0.000 0.839 65 A HN 1.299 nan 8.150 nan 0.000 0.449 66 A N -2.185 120.596 122.820 -0.065 0.000 2.608 66 A HA 0.702 5.026 4.320 0.008 0.000 0.292 66 A C -0.968 176.586 177.584 -0.050 0.000 1.066 66 A CA 0.106 52.137 52.037 -0.009 0.000 0.676 66 A CB 0.381 19.433 19.000 0.087 0.000 1.277 66 A HN 1.711 nan 8.150 nan 0.000 0.413 67 A N 0.129 122.934 122.820 -0.024 0.000 2.408 67 A HA 0.961 5.286 4.320 0.008 0.000 0.295 67 A C 0.092 177.662 177.584 -0.023 0.000 1.040 67 A CA 0.397 52.409 52.037 -0.042 0.000 0.707 67 A CB 1.052 20.023 19.000 -0.049 0.000 1.235 67 A HN 2.734 nan 8.150 nan 0.000 0.418 68 G N 0.362 109.151 108.800 -0.019 0.000 2.441 68 G HA2 0.410 4.375 3.960 0.008 0.000 0.225 68 G HA3 0.410 4.375 3.960 0.008 0.000 0.225 68 G C -0.972 173.941 174.900 0.023 0.000 1.200 68 G CA -0.343 44.765 45.100 0.013 0.000 0.947 68 G HN 1.215 nan 8.290 nan 0.000 0.484 69 H N 2.640 121.706 119.070 -0.008 0.000 2.764 69 H HA 0.373 4.934 4.556 0.008 0.000 0.341 69 H C -0.805 174.522 175.328 -0.001 0.000 1.072 69 H CA -0.408 55.636 56.048 -0.006 0.000 1.444 69 H CB 1.914 31.675 29.762 -0.002 0.000 1.458 69 H HN 0.150 nan 8.280 nan 0.000 0.572 70 P HA -0.165 nan 4.420 nan 0.000 0.216 70 P C 0.453 177.813 177.300 0.099 0.000 1.153 70 P CA 1.506 64.556 63.100 -0.083 0.000 0.848 70 P CB 0.408 31.997 31.700 -0.184 0.000 0.787 71 D N -0.228 120.360 120.400 0.312 0.000 2.144 71 D HA -0.153 4.492 4.640 0.008 0.000 0.199 71 D C 2.119 178.516 176.300 0.162 0.000 0.984 71 D CA 0.955 55.094 54.000 0.232 0.000 0.834 71 D CB -0.323 40.615 40.800 0.230 0.000 0.955 71 D HN 0.148 nan 8.370 nan 0.000 0.465 72 E N 0.300 120.616 120.200 0.193 0.000 2.085 72 E HA -0.148 4.206 4.350 0.008 0.000 0.194 72 E C 2.318 178.989 176.600 0.118 0.000 0.994 72 E CA 0.649 57.114 56.400 0.109 0.000 0.801 72 E CB -0.205 29.559 29.700 0.107 0.000 0.743 72 E HN 0.412 nan 8.360 nan 0.000 0.453 73 L N -0.045 121.265 121.223 0.145 0.000 2.056 73 L HA -0.151 4.194 4.340 0.008 0.000 0.207 73 L C 2.946 179.939 176.870 0.206 0.000 1.078 73 L CA 1.578 56.538 54.840 0.200 0.000 0.749 73 L CB -0.825 41.300 42.059 0.110 0.000 0.901 73 L HN 0.049 nan 8.230 nan 0.000 0.433 74 R N 0.805 121.379 120.500 0.124 0.000 2.193 74 R HA -0.093 4.252 4.340 0.008 0.000 0.229 74 R C 2.421 178.775 176.300 0.089 0.000 1.110 74 R CA 1.696 57.856 56.100 0.100 0.000 0.988 74 R CB -1.688 28.649 30.300 0.062 0.000 0.871 74 R HN 0.543 nan 8.270 nan 0.000 0.458 75 R N 0.419 120.963 120.500 0.074 0.000 2.173 75 R HA 0.080 4.425 4.340 0.008 0.000 0.208 75 R C 2.205 178.503 176.300 -0.003 0.000 1.035 75 R CA 1.299 57.420 56.100 0.035 0.000 1.004 75 R CB -0.505 29.809 30.300 0.023 0.000 0.917 75 R HN 0.757 nan 8.270 nan 0.000 0.462 76 Q N -1.340 118.454 119.800 -0.010 0.000 2.302 76 Q HA 0.124 4.469 4.340 0.008 0.000 0.202 76 Q C -0.434 175.284 176.000 -0.470 0.000 0.936 76 Q CA 0.672 56.339 55.803 -0.225 0.000 0.886 76 Q CB 0.497 29.099 28.738 -0.227 0.000 0.986 76 Q HN 0.735 nan 8.270 nan 0.000 0.487 77 Y N 0.137 120.456 120.300 0.030 0.000 2.662 77 Y HA 0.234 4.789 4.550 0.008 0.000 0.358 77 Y C -1.867 174.077 175.900 0.074 0.000 1.041 77 Y CA -2.173 55.955 58.100 0.046 0.000 1.184 77 Y CB 1.098 39.572 38.460 0.023 0.000 1.114 77 Y HN 0.024 nan 8.280 nan 0.000 0.650 78 P HA -0.131 nan 4.420 nan 0.000 0.223 78 P C 0.483 177.859 177.300 0.127 0.000 1.151 78 P CA 1.572 64.766 63.100 0.157 0.000 0.787 78 P CB 0.494 32.283 31.700 0.148 0.000 0.788 79 H N -0.315 118.795 119.070 0.067 0.000 2.551 79 H HA 0.409 4.970 4.556 0.008 0.000 0.271 79 H C 0.881 176.244 175.328 0.058 0.000 0.984 79 H CA -0.204 55.877 56.048 0.053 0.000 1.164 79 H CB -0.437 29.354 29.762 0.048 0.000 1.437 79 H HN 0.114 nan 8.280 nan 0.000 0.550 80 A N 1.249 124.179 122.820 0.185 0.000 2.488 80 A HA 0.536 4.860 4.320 0.008 0.000 0.249 80 A C 0.570 178.179 177.584 0.042 0.000 1.083 80 A CA 0.053 52.149 52.037 0.098 0.000 0.768 80 A CB -0.271 18.770 19.000 0.069 0.000 1.017 80 A HN 0.433 nan 8.150 nan 0.000 0.496 81 A N 3.077 125.908 122.820 0.020 0.000 2.388 81 A HA 0.469 4.793 4.320 0.008 0.000 0.257 81 A C 0.335 177.907 177.584 -0.020 0.000 1.095 81 A CA -0.249 51.789 52.037 0.002 0.000 0.791 81 A CB 0.112 19.115 19.000 0.004 0.000 1.029 81 A HN 0.857 nan 8.150 nan 0.000 0.489 82 E N 0.708 120.897 120.200 -0.019 0.000 2.277 82 E HA 0.418 4.772 4.350 0.008 0.000 0.274 82 E C -0.838 175.745 176.600 -0.029 0.000 1.022 82 E CA -0.256 56.126 56.400 -0.030 0.000 0.853 82 E CB 1.214 30.901 29.700 -0.023 0.000 1.086 82 E HN 0.704 nan 8.360 nan 0.000 0.397 83 E N 1.482 121.659 120.200 -0.039 0.000 2.263 83 E HA 0.192 4.546 4.350 0.008 0.000 0.268 83 E C -1.120 175.467 176.600 -0.021 0.000 0.884 83 E CA -0.924 55.461 56.400 -0.025 0.000 0.766 83 E CB 1.813 31.494 29.700 -0.031 0.000 1.196 83 E HN 0.102 nan 8.360 nan 0.000 0.416 84 R N 2.144 122.641 120.500 -0.005 0.000 2.288 84 R HA 0.268 4.613 4.340 0.008 0.000 0.330 84 R C -0.226 176.085 176.300 0.019 0.000 1.069 84 R CA 0.225 56.325 56.100 0.001 0.000 0.941 84 R CB 0.321 30.624 30.300 0.006 0.000 0.998 84 R HN 0.579 nan 8.270 nan 0.000 0.452 85 A N 3.545 126.378 122.820 0.022 0.000 2.415 85 A HA 0.502 4.827 4.320 0.008 0.000 0.248 85 A C 0.838 178.468 177.584 0.077 0.000 1.299 85 A CA 0.302 52.376 52.037 0.062 0.000 0.899 85 A CB -0.712 18.334 19.000 0.077 0.000 0.997 85 A HN 1.155 nan 8.150 nan 0.000 0.506 86 G N -1.863 106.969 108.800 0.052 0.000 2.610 86 G HA2 0.228 4.192 3.960 0.008 0.000 0.304 86 G HA3 0.228 4.192 3.960 0.008 0.000 0.304 86 G C 0.882 175.803 174.900 0.034 0.000 1.309 86 G CA -0.165 44.970 45.100 0.059 0.000 0.906 86 G HN 1.247 nan 8.290 nan 0.000 0.521 87 A N -1.183 121.662 122.820 0.042 0.000 1.897 87 A HA 0.521 4.845 4.320 0.008 0.000 0.215 87 A C 1.210 178.763 177.584 -0.053 0.000 1.181 87 A CA 2.522 54.564 52.037 0.009 0.000 0.620 87 A CB -0.148 18.875 19.000 0.039 0.000 0.821 87 A HN 1.822 nan 8.150 nan 0.000 0.443 88 V N 0.184 120.050 119.914 -0.081 0.000 2.656 88 V HA 0.472 4.597 4.120 0.008 0.000 0.307 88 V C -0.905 174.979 176.094 -0.349 0.000 1.051 88 V CA -0.346 61.763 62.300 -0.319 0.000 0.893 88 V CB 1.749 33.150 31.823 -0.702 0.000 0.999 88 V HN 0.334 nan 8.190 nan 0.000 0.426 89 I N 3.860 124.243 120.570 -0.312 0.000 2.439 89 I HA 0.849 5.024 4.170 0.008 0.000 0.285 89 I C -0.023 175.968 176.117 -0.210 0.000 1.021 89 I CA -0.255 60.973 61.300 -0.120 0.000 1.091 89 I CB 1.669 39.720 38.000 0.085 0.000 1.242 89 I HN 0.826 nan 8.210 nan 0.000 0.439 90 A N 7.014 129.728 122.820 -0.177 0.000 2.567 90 A HA 0.728 5.053 4.320 0.008 0.000 0.291 90 A C -3.069 174.693 177.584 0.296 0.000 1.048 90 A CA -1.121 50.897 52.037 -0.032 0.000 0.661 90 A CB 1.240 20.185 19.000 -0.093 0.000 1.288 90 A HN 0.335 nan 8.150 nan 0.000 0.424 91 P HA 0.242 nan 4.420 nan 0.000 0.270 91 P C -2.515 175.106 177.300 0.534 0.000 1.227 91 P CA -0.586 62.716 63.100 0.336 0.000 0.788 91 P CB -0.160 31.653 31.700 0.189 0.000 0.926 92 P HA 0.065 nan 4.420 nan 0.000 0.265 92 P C -2.376 175.006 177.300 0.138 0.000 1.193 92 P CA -1.000 62.202 63.100 0.169 0.000 0.765 92 P CB -0.668 31.073 31.700 0.069 0.000 0.823 93 P HA 0.062 nan 4.420 nan 0.000 0.272 93 P C -0.371 176.937 177.300 0.013 0.000 1.230 93 P CA -0.035 63.091 63.100 0.043 0.000 0.788 93 P CB 0.654 32.292 31.700 -0.103 0.000 0.949 94 V N 2.929 122.872 119.914 0.048 0.000 2.509 94 V HA 0.171 4.296 4.120 0.008 0.000 0.284 94 V C 0.905 177.011 176.094 0.019 0.000 1.047 94 V CA -0.380 61.940 62.300 0.032 0.000 0.952 94 V CB 0.678 32.529 31.823 0.046 0.000 0.988 94 V HN 0.585 nan 8.190 nan 0.000 0.469 95 N N 3.654 122.359 118.700 0.009 0.000 2.645 95 N HA 0.282 5.026 4.740 0.008 0.000 0.233 95 N C 0.746 176.269 175.510 0.021 0.000 1.058 95 N CA 0.057 53.113 53.050 0.011 0.000 0.942 95 N CB 1.524 40.011 38.487 0.000 0.000 1.210 95 N HN 0.770 nan 8.380 nan 0.000 0.512 96 A N 2.471 125.307 122.820 0.026 0.000 2.216 96 A HA -0.073 4.252 4.320 0.008 0.000 0.214 96 A C 0.339 177.964 177.584 0.067 0.000 1.160 96 A CA 0.911 52.969 52.037 0.035 0.000 0.725 96 A CB -0.337 18.661 19.000 -0.002 0.000 0.784 96 A HN 0.809 nan 8.150 nan 0.000 0.472 97 H N -2.046 116.990 119.070 -0.056 0.000 3.179 97 H HA 0.519 5.079 4.556 0.007 0.000 0.331 97 H C -0.741 174.588 175.328 0.002 0.000 1.013 97 H CA 0.482 56.483 56.048 -0.078 0.000 1.430 97 H CB 1.134 30.794 29.762 -0.169 0.000 1.895 97 H HN 0.107 nan 8.280 nan 0.000 0.468 98 T N 3.359 117.651 114.554 -0.436 0.000 2.739 98 T HA 0.335 4.690 4.350 0.008 0.000 0.303 98 T C -1.911 172.647 174.700 -0.236 0.000 1.389 98 T CA -0.659 61.337 62.100 -0.173 0.000 1.001 98 T CB 1.084 69.936 68.868 -0.027 0.000 1.436 98 T HN 0.692 nan 8.240 nan 0.000 0.500 99 H N 2.891 121.907 119.070 -0.090 0.000 2.906 99 H HA 0.401 4.961 4.556 0.007 0.000 0.324 99 H C 0.521 175.844 175.328 -0.008 0.000 0.973 99 H CA -0.424 55.604 56.048 -0.033 0.000 1.321 99 H CB 1.572 31.338 29.762 0.006 0.000 1.535 99 H HN 0.357 nan 8.280 nan 0.000 0.518 100 L N 1.414 122.685 121.223 0.079 0.000 2.418 100 L HA 0.027 4.371 4.340 0.008 0.000 0.218 100 L C 0.623 177.523 176.870 0.049 0.000 1.125 100 L CA 0.830 55.699 54.840 0.049 0.000 0.835 100 L CB 0.083 42.153 42.059 0.019 0.000 0.953 100 L HN 0.598 nan 8.230 nan 0.000 0.454 101 D N -0.818 119.635 120.400 0.089 0.000 2.857 101 D HA 0.491 5.135 4.640 0.008 0.000 0.227 101 D C -0.834 175.547 176.300 0.136 0.000 1.192 101 D CA -0.450 53.601 54.000 0.085 0.000 0.857 101 D CB 2.466 43.327 40.800 0.102 0.000 1.645 101 D HN -0.110 nan 8.370 nan 0.000 0.482 102 M N 0.493 120.124 119.600 0.051 0.000 2.846 102 M HA 0.422 4.907 4.480 0.008 0.000 0.282 102 M C -0.638 175.505 176.300 -0.263 0.000 1.266 102 M CA -0.997 54.282 55.300 -0.034 0.000 0.766 102 M CB 2.313 34.907 32.600 -0.010 0.000 1.739 102 M HN 0.431 nan 8.290 nan 0.000 0.442 103 S N -0.743 114.616 115.700 -0.570 0.000 2.568 103 S HA 0.714 5.188 4.470 0.008 0.000 0.293 103 S C 0.336 174.659 174.600 -0.462 0.000 1.089 103 S CA -0.078 57.644 58.200 -0.797 0.000 0.945 103 S CB 1.893 63.968 63.200 -1.875 0.000 1.077 103 S HN 0.725 nan 8.310 nan 0.000 0.485 104 A N 2.893 125.424 122.820 -0.481 0.000 2.019 104 A HA 0.034 4.358 4.320 0.008 0.000 0.219 104 A C 1.367 178.754 177.584 -0.327 0.000 1.164 104 A CA 1.433 53.253 52.037 -0.362 0.000 0.644 104 A CB -0.958 17.768 19.000 -0.456 0.000 0.805 104 A HN 0.885 nan 8.150 nan 0.000 0.449 105 Y N 0.955 121.047 120.300 -0.347 0.000 2.128 105 Y HA -0.225 4.330 4.550 0.009 0.000 0.284 105 Y C 2.536 178.195 175.900 -0.401 0.000 1.154 105 Y CA 1.442 59.342 58.100 -0.334 0.000 1.149 105 Y CB -0.621 37.643 38.460 -0.327 0.000 0.976 105 Y HN 0.679 nan 8.280 nan 0.000 0.505 106 E N -1.221 118.693 120.200 -0.475 0.000 2.274 106 E HA -0.159 4.195 4.350 0.008 0.000 0.194 106 E C 1.607 177.857 176.600 -0.582 0.000 0.996 106 E CA 0.994 57.055 56.400 -0.565 0.000 0.840 106 E CB -0.730 28.527 29.700 -0.739 0.000 0.772 106 E HN 0.408 nan 8.360 nan 0.000 0.491 107 F N 1.933 121.591 119.950 -0.487 0.000 2.187 107 F HA -0.009 4.522 4.527 0.008 0.000 0.295 107 F C 2.603 178.206 175.800 -0.329 0.000 1.091 107 F CA 1.269 58.988 58.000 -0.467 0.000 1.308 107 F CB -0.099 38.710 39.000 -0.318 0.000 1.030 107 F HN -0.068 nan 8.300 nan 0.000 0.487 108 Q N -0.230 119.542 119.800 -0.047 0.000 2.170 108 Q HA -0.154 4.191 4.340 0.008 0.000 0.203 108 Q C 2.366 178.342 176.000 -0.040 0.000 0.976 108 Q CA 1.265 57.044 55.803 -0.040 0.000 0.858 108 Q CB -0.391 28.339 28.738 -0.013 0.000 0.907 108 Q HN 0.428 nan 8.270 nan 0.000 0.433 109 A N 0.520 123.300 122.820 -0.067 0.000 2.066 109 A HA -0.004 4.320 4.320 0.008 0.000 0.218 109 A C 0.945 178.584 177.584 0.091 0.000 1.157 109 A CA 0.560 52.620 52.037 0.038 0.000 0.670 109 A CB 0.018 19.000 19.000 -0.030 0.000 0.804 109 A HN 0.209 nan 8.150 nan 0.000 0.453 110 L N -0.236 120.884 121.223 -0.173 0.000 2.313 110 L HA 0.262 4.606 4.340 0.008 0.000 0.273 110 L C -2.036 174.519 176.870 -0.525 0.000 1.028 110 L CA -1.881 52.738 54.840 -0.368 0.000 0.871 110 L CB 1.493 43.114 42.059 -0.731 0.000 1.242 110 L HN 0.017 nan 8.230 nan 0.000 0.434 111 P HA -0.244 nan 4.420 nan 0.000 0.216 111 P C 1.291 177.756 177.300 -1.392 0.000 1.157 111 P CA 1.688 64.374 63.100 -0.689 0.000 0.880 111 P CB -0.009 31.404 31.700 -0.479 0.000 0.791 112 Y N -3.965 115.494 120.300 -1.402 0.000 2.483 112 Y HA -0.037 4.517 4.550 0.007 0.000 0.291 112 Y C 1.811 177.426 175.900 -0.475 0.000 1.143 112 Y CA 0.425 57.705 58.100 -1.367 0.000 1.289 112 Y CB -1.778 36.012 38.460 -1.117 0.000 0.983 112 Y HN -0.136 nan 8.280 nan 0.000 0.556 113 F N 1.157 120.684 119.950 -0.705 0.000 2.206 113 F HA -0.124 4.408 4.527 0.008 0.000 0.298 113 F C 2.275 177.991 175.800 -0.140 0.000 1.090 113 F CA 1.219 59.040 58.000 -0.300 0.000 1.323 113 F CB -0.348 38.472 39.000 -0.300 0.000 1.028 113 F HN 0.078 nan 8.300 nan 0.000 0.492 114 Q N -0.939 118.819 119.800 -0.070 0.000 2.167 114 Q HA -0.178 4.167 4.340 0.008 0.000 0.202 114 Q C 1.986 178.069 176.000 0.138 0.000 0.970 114 Q CA 0.955 56.761 55.803 0.004 0.000 0.855 114 Q CB -0.734 27.976 28.738 -0.046 0.000 0.911 114 Q HN 0.487 nan 8.270 nan 0.000 0.438 115 W N 0.413 121.745 121.300 0.053 0.000 2.525 115 W HA 0.018 4.683 4.660 0.008 0.000 0.259 115 W C 0.486 177.024 176.519 0.031 0.000 1.253 115 W CA 0.022 57.391 57.345 0.041 0.000 1.262 115 W CB 0.025 29.515 29.460 0.051 0.000 1.122 115 W HN -0.039 nan 8.180 nan 0.000 0.607 116 I N 1.546 122.237 120.570 0.203 0.000 2.503 116 I HA 0.149 4.323 4.170 0.008 0.000 0.277 116 I C -1.548 174.611 176.117 0.069 0.000 1.078 116 I CA -2.724 58.643 61.300 0.111 0.000 1.184 116 I CB 0.555 38.588 38.000 0.055 0.000 1.353 116 I HN -0.361 nan 8.210 nan 0.000 0.490 117 P HA -0.246 nan 4.420 nan 0.000 0.217 117 P C 1.578 178.883 177.300 0.008 0.000 1.158 117 P CA 1.481 64.602 63.100 0.034 0.000 0.887 117 P CB 0.472 32.191 31.700 0.030 0.000 0.792 118 E N -0.577 119.624 120.200 0.002 0.000 2.130 118 E HA -0.178 4.177 4.350 0.008 0.000 0.196 118 E C 1.744 178.333 176.600 -0.017 0.000 0.998 118 E CA 1.164 57.553 56.400 -0.019 0.000 0.806 118 E CB -0.346 29.334 29.700 -0.034 0.000 0.738 118 E HN -0.027 nan 8.360 nan 0.000 0.459 119 V N 0.098 120.012 119.914 0.000 0.000 2.307 119 V HA -0.230 3.895 4.120 0.008 0.000 0.245 119 V C 2.350 178.498 176.094 0.089 0.000 1.045 119 V CA 1.426 63.754 62.300 0.045 0.000 1.024 119 V CB -0.229 31.601 31.823 0.011 0.000 0.651 119 V HN 0.214 nan 8.190 nan 0.000 0.449 120 V N -0.055 119.883 119.914 0.040 0.000 2.343 120 V HA -0.256 3.868 4.120 0.008 0.000 0.247 120 V C 2.197 178.150 176.094 -0.235 0.000 1.051 120 V CA 2.124 64.331 62.300 -0.154 0.000 1.036 120 V CB -0.525 31.238 31.823 -0.100 0.000 0.654 120 V HN 0.433 nan 8.190 nan 0.000 0.451 121 I N -0.293 120.210 120.570 -0.112 0.000 2.163 121 I HA -0.269 3.906 4.170 0.008 0.000 0.243 121 I C 2.760 178.841 176.117 -0.060 0.000 1.085 121 I CA 1.735 62.980 61.300 -0.092 0.000 1.347 121 I CB -0.440 37.528 38.000 -0.053 0.000 1.044 121 I HN 0.211 nan 8.210 nan 0.000 0.408 122 R N 0.517 121.006 120.500 -0.018 0.000 2.148 122 R HA -0.079 4.265 4.340 0.008 0.000 0.227 122 R C 2.289 178.660 176.300 0.119 0.000 1.103 122 R CA 1.238 57.377 56.100 0.065 0.000 0.983 122 R CB -0.513 29.821 30.300 0.057 0.000 0.874 122 R HN 0.446 nan 8.270 nan 0.000 0.451 123 G N 0.433 109.208 108.800 -0.041 0.000 2.572 123 G HA2 -0.167 3.798 3.960 0.008 0.000 0.216 123 G HA3 -0.167 3.798 3.960 0.008 0.000 0.216 123 G C 1.238 175.957 174.900 -0.302 0.000 1.133 123 G CA -0.143 44.875 45.100 -0.136 0.000 0.791 123 G HN 0.203 nan 8.290 nan 0.000 0.538 124 R N 0.332 120.672 120.500 -0.266 0.000 2.105 124 R HA -0.128 4.217 4.340 0.008 0.000 0.239 124 R C 2.299 178.528 176.300 -0.119 0.000 1.135 124 R CA 1.513 57.478 56.100 -0.225 0.000 0.967 124 R CB -0.493 29.711 30.300 -0.160 0.000 0.861 124 R HN 0.670 nan 8.270 nan 0.000 0.442 125 H N 0.353 119.362 119.070 -0.101 0.000 2.547 125 H HA 0.030 4.590 4.556 0.008 0.000 0.272 125 H C 0.722 176.029 175.328 -0.034 0.000 0.989 125 H CA 0.380 56.392 56.048 -0.060 0.000 1.214 125 H CB -0.205 29.531 29.762 -0.044 0.000 1.389 125 H HN 0.139 nan 8.280 nan 0.000 0.577 126 L N 2.814 123.683 121.223 -0.590 0.000 2.533 126 L HA 0.207 4.552 4.340 0.008 0.000 0.239 126 L C -0.072 176.706 176.870 -0.153 0.000 1.376 126 L CA 0.086 54.695 54.840 -0.386 0.000 1.240 126 L CB -0.201 41.675 42.059 -0.305 0.000 1.487 126 L HN 0.051 nan 8.230 nan 0.000 0.419 127 R N 1.139 121.578 120.500 -0.101 0.000 2.628 127 R HA 0.689 5.034 4.340 0.008 0.000 0.288 127 R C 0.125 176.425 176.300 -0.001 0.000 0.980 127 R CA -0.404 55.667 56.100 -0.047 0.000 0.891 127 R CB 2.069 32.329 30.300 -0.066 0.000 1.188 127 R HN 0.418 nan 8.270 nan 0.000 0.450 128 G N 0.346 109.169 108.800 0.038 0.000 2.829 128 G HA2 -0.260 3.705 3.960 0.008 0.000 0.628 128 G HA3 -0.260 3.705 3.960 0.008 0.000 0.628 128 G C 0.621 175.546 174.900 0.042 0.000 1.412 128 G CA -0.381 44.749 45.100 0.051 0.000 0.864 128 G HN 0.267 nan 8.290 nan 0.000 0.544 129 V N 0.931 120.870 119.914 0.041 0.000 2.255 129 V HA -0.109 4.016 4.120 0.008 0.000 0.247 129 V C 3.477 179.584 176.094 0.022 0.000 1.051 129 V CA 3.606 65.923 62.300 0.029 0.000 1.018 129 V CB -1.528 30.311 31.823 0.027 0.000 0.641 129 V HN 1.846 nan 8.190 nan 0.000 0.445 130 A N 0.170 123.004 122.820 0.023 0.000 1.873 130 A HA -0.210 4.115 4.320 0.008 0.000 0.218 130 A C 2.434 180.035 177.584 0.028 0.000 1.193 130 A CA 2.602 54.653 52.037 0.022 0.000 0.629 130 A CB -1.009 18.005 19.000 0.023 0.000 0.826 130 A HN 0.626 nan 8.150 nan 0.000 0.447 131 A N -0.517 122.323 122.820 0.034 0.000 1.933 131 A HA 0.186 4.511 4.320 0.008 0.000 0.218 131 A C 2.478 180.081 177.584 0.032 0.000 1.175 131 A CA 2.081 54.145 52.037 0.045 0.000 0.628 131 A CB -0.923 18.096 19.000 0.032 0.000 0.814 131 A HN 1.082 nan 8.150 nan 0.000 0.444 132 A N -1.045 121.788 122.820 0.022 0.000 1.898 132 A HA -0.153 4.171 4.320 0.008 0.000 0.216 132 A C 2.119 179.709 177.584 0.010 0.000 1.181 132 A CA 1.490 53.537 52.037 0.016 0.000 0.620 132 A CB -0.457 18.552 19.000 0.015 0.000 0.819 132 A HN 0.499 nan 8.150 nan 0.000 0.442 133 Q N -0.433 119.373 119.800 0.009 0.000 2.124 133 Q HA -0.144 4.200 4.340 0.008 0.000 0.202 133 Q C 2.394 178.398 176.000 0.007 0.000 0.977 133 Q CA 1.581 57.386 55.803 0.003 0.000 0.850 133 Q CB -0.609 28.131 28.738 0.003 0.000 0.901 133 Q HN 0.668 nan 8.270 nan 0.000 0.429 134 A N 0.757 123.588 122.820 0.017 0.000 1.930 134 A HA -0.044 4.281 4.320 0.008 0.000 0.217 134 A C 2.337 179.934 177.584 0.021 0.000 1.175 134 A CA 1.616 53.665 52.037 0.021 0.000 0.627 134 A CB -0.898 18.122 19.000 0.034 0.000 0.815 134 A HN 0.444 nan 8.150 nan 0.000 0.443 135 G N -0.467 108.348 108.800 0.026 0.000 2.402 135 G HA2 0.037 4.002 3.960 0.008 0.000 0.216 135 G HA3 0.037 4.002 3.960 0.008 0.000 0.216 135 G C 1.734 176.638 174.900 0.008 0.000 1.162 135 G CA 1.296 46.411 45.100 0.024 0.000 0.777 135 G HN 0.757 nan 8.290 nan 0.000 0.539 136 A N 1.109 123.929 122.820 0.000 0.000 1.933 136 A HA -0.054 4.271 4.320 0.008 0.000 0.218 136 A C 2.081 179.659 177.584 -0.010 0.000 1.175 136 A CA 2.090 54.121 52.037 -0.010 0.000 0.628 136 A CB -0.396 18.594 19.000 -0.017 0.000 0.814 136 A HN 0.277 nan 8.150 nan 0.000 0.444 137 D N -0.425 119.972 120.400 -0.006 0.000 2.123 137 D HA -0.103 4.542 4.640 0.008 0.000 0.196 137 D C 2.013 178.307 176.300 -0.010 0.000 0.992 137 D CA 1.885 55.880 54.000 -0.008 0.000 0.833 137 D CB -0.744 40.054 40.800 -0.004 0.000 0.954 137 D HN 0.394 nan 8.370 nan 0.000 0.455 138 T N 1.253 115.804 114.554 -0.005 0.000 2.720 138 T HA -0.094 4.260 4.350 0.008 0.000 0.268 138 T C 2.236 176.926 174.700 -0.016 0.000 1.037 138 T CA 0.582 62.678 62.100 -0.007 0.000 1.144 138 T CB -0.319 68.551 68.868 0.003 0.000 0.864 138 T HN 0.125 nan 8.240 nan 0.000 0.444 139 L N 0.648 121.862 121.223 -0.015 0.000 2.042 139 L HA -0.141 4.203 4.340 0.008 0.000 0.210 139 L C 2.912 179.765 176.870 -0.029 0.000 1.076 139 L CA 1.273 56.099 54.840 -0.023 0.000 0.749 139 L CB -1.030 41.017 42.059 -0.019 0.000 0.893 139 L HN 0.292 nan 8.230 nan 0.000 0.432 140 T N -0.913 113.626 114.554 -0.025 0.000 2.777 140 T HA -0.141 4.214 4.350 0.008 0.000 0.266 140 T C 1.999 176.679 174.700 -0.033 0.000 1.040 140 T CA 1.009 63.093 62.100 -0.027 0.000 1.141 140 T CB -0.143 68.711 68.868 -0.023 0.000 0.868 140 T HN 0.275 nan 8.240 nan 0.000 0.444 141 R N 0.566 121.048 120.500 -0.030 0.000 2.148 141 R HA 0.101 4.445 4.340 0.008 0.000 0.227 141 R C 1.990 178.264 176.300 -0.043 0.000 1.103 141 R CA 0.766 56.847 56.100 -0.033 0.000 0.983 141 R CB -0.405 29.879 30.300 -0.026 0.000 0.874 141 R HN 0.375 nan 8.270 nan 0.000 0.451 142 L N -0.526 120.668 121.223 -0.048 0.000 2.610 142 L HA 0.066 4.410 4.340 0.008 0.000 0.232 142 L C 1.170 177.989 176.870 -0.085 0.000 1.149 142 L CA 0.602 55.401 54.840 -0.069 0.000 0.872 142 L CB 0.314 42.330 42.059 -0.071 0.000 0.992 142 L HN 0.487 nan 8.230 nan 0.000 0.447 143 G N -1.721 107.040 108.800 -0.066 0.000 2.318 143 G HA2 -0.075 3.890 3.960 0.008 0.000 0.172 143 G HA3 -0.075 3.890 3.960 0.008 0.000 0.172 143 G C 0.650 175.529 174.900 -0.036 0.000 1.002 143 G CA -0.328 44.736 45.100 -0.060 0.000 0.697 143 G HN 0.415 nan 8.290 nan 0.000 0.483 144 A N -0.878 121.922 122.820 -0.033 0.000 2.822 144 A HA 0.272 4.596 4.320 0.008 0.000 0.287 144 A C 1.799 179.379 177.584 -0.006 0.000 1.479 144 A CA 1.875 53.900 52.037 -0.020 0.000 0.779 144 A CB -1.589 17.400 19.000 -0.019 0.000 1.022 144 A HN 2.357 nan 8.150 nan 0.000 0.532 145 G N -0.739 108.056 108.800 -0.008 0.000 2.572 145 G HA2 0.620 4.585 3.960 0.008 0.000 0.261 145 G HA3 0.620 4.585 3.960 0.008 0.000 0.261 145 G C 0.780 175.685 174.900 0.008 0.000 1.197 145 G CA 0.254 45.361 45.100 0.012 0.000 0.870 145 G HN 1.650 nan 8.290 nan 0.000 0.548 146 G N -1.854 106.958 108.800 0.020 0.000 2.690 146 G HA2 0.430 4.395 3.960 0.008 0.000 0.239 146 G HA3 0.430 4.395 3.960 0.008 0.000 0.239 146 G C -0.523 174.381 174.900 0.006 0.000 1.233 146 G CA 0.246 45.353 45.100 0.012 0.000 0.847 146 G HN 1.208 nan 8.290 nan 0.000 0.588 147 V N -0.047 119.867 119.914 0.000 0.000 2.971 147 V HA 0.819 4.943 4.120 0.008 0.000 0.309 147 V C 0.157 176.262 176.094 0.019 0.000 1.130 147 V CA -0.114 62.187 62.300 0.003 0.000 0.964 147 V CB 2.310 34.125 31.823 -0.014 0.000 1.029 147 V HN 1.244 nan 8.190 nan 0.000 0.427 148 G N 3.165 111.997 108.800 0.053 0.000 2.788 148 G HA2 0.516 4.481 3.960 0.008 0.000 0.327 148 G HA3 0.516 4.481 3.960 0.008 0.000 0.327 148 G C -1.183 173.769 174.900 0.088 0.000 1.249 148 G CA -0.268 44.937 45.100 0.176 0.000 1.063 148 G HN 0.749 nan 8.290 nan 0.000 0.497 149 D N 2.288 122.733 120.400 0.076 0.000 2.217 149 D HA 0.388 5.032 4.640 0.008 0.000 0.243 149 D C 0.295 176.597 176.300 0.003 0.000 1.054 149 D CA -0.622 53.358 54.000 -0.034 0.000 0.838 149 D CB 1.061 41.833 40.800 -0.047 0.000 1.162 149 D HN 0.038 nan 8.370 nan 0.000 0.472 150 I N 4.289 124.719 120.570 -0.234 0.000 2.325 150 I HA 0.232 4.406 4.170 0.008 0.000 0.291 150 I C -0.120 175.957 176.117 -0.068 0.000 1.019 150 I CA -0.702 60.467 61.300 -0.218 0.000 1.302 150 I CB 0.917 38.503 38.000 -0.690 0.000 1.401 150 I HN 0.220 nan 8.210 nan 0.000 0.485 151 V N 6.682 126.638 119.914 0.069 0.000 2.513 151 V HA 0.297 4.422 4.120 0.008 0.000 0.299 151 V C 0.440 176.669 176.094 0.224 0.000 1.035 151 V CA -0.500 61.880 62.300 0.132 0.000 0.889 151 V CB 2.732 34.593 31.823 0.064 0.000 0.988 151 V HN 0.863 nan 8.190 nan 0.000 0.440 152 W N 3.618 124.968 121.300 0.082 0.000 2.924 152 W HA 0.368 5.033 4.660 0.008 0.000 0.273 152 W C 0.934 177.546 176.519 0.155 0.000 1.046 152 W CA 0.774 58.155 57.345 0.059 0.000 1.788 152 W CB 0.394 29.879 29.460 0.042 0.000 1.127 152 W HN 0.568 nan 8.180 nan 0.000 0.571 153 A N 2.188 125.225 122.820 0.363 0.000 2.454 153 A HA 0.242 4.567 4.320 0.008 0.000 0.260 153 A C -1.654 176.031 177.584 0.170 0.000 1.106 153 A CA -0.785 51.403 52.037 0.252 0.000 0.780 153 A CB 0.205 19.377 19.000 0.287 0.000 1.044 153 A HN 0.122 nan 8.150 nan 0.000 0.498 154 P HA -0.180 nan 4.420 nan 0.000 0.216 154 P C 1.077 178.475 177.300 0.163 0.000 1.150 154 P CA 1.476 64.688 63.100 0.186 0.000 0.843 154 P CB 0.238 32.000 31.700 0.104 0.000 0.787 155 E N -0.897 119.381 120.200 0.129 0.000 2.204 155 E HA -0.100 4.255 4.350 0.008 0.000 0.194 155 E C 1.847 178.472 176.600 0.041 0.000 0.989 155 E CA 0.733 57.190 56.400 0.096 0.000 0.824 155 E CB -0.351 29.403 29.700 0.089 0.000 0.756 155 E HN 0.084 nan 8.360 nan 0.000 0.477 156 V N 0.953 120.886 119.914 0.031 0.000 2.379 156 V HA -0.246 3.878 4.120 0.008 0.000 0.245 156 V C 2.229 178.259 176.094 -0.107 0.000 1.044 156 V CA 1.506 63.802 62.300 -0.007 0.000 1.036 156 V CB -0.246 31.600 31.823 0.038 0.000 0.664 156 V HN 0.290 nan 8.190 nan 0.000 0.453 157 M N 0.554 120.020 119.600 -0.223 0.000 2.108 157 M HA -0.178 4.306 4.480 0.008 0.000 0.261 157 M C 1.693 177.722 176.300 -0.452 0.000 1.066 157 M CA 1.847 56.827 55.300 -0.533 0.000 1.107 157 M CB -0.786 31.060 32.600 -1.257 0.000 1.356 157 M HN 0.308 nan 8.290 nan 0.000 0.406 158 D N 0.174 120.445 120.400 -0.215 0.000 2.104 158 D HA -0.153 4.492 4.640 0.008 0.000 0.194 158 D C 1.960 178.221 176.300 -0.065 0.000 0.994 158 D CA 1.958 55.932 54.000 -0.044 0.000 0.830 158 D CB -0.486 40.373 40.800 0.099 0.000 0.959 158 D HN 0.521 nan 8.370 nan 0.000 0.452 159 A N 0.708 123.493 122.820 -0.058 0.000 1.873 159 A HA -0.085 4.239 4.320 0.008 0.000 0.215 159 A C 2.462 180.006 177.584 -0.067 0.000 1.186 159 A CA 0.850 52.861 52.037 -0.043 0.000 0.616 159 A CB -0.765 18.221 19.000 -0.023 0.000 0.823 159 A HN 0.190 nan 8.150 nan 0.000 0.442 160 L N -1.084 120.080 121.223 -0.099 0.000 2.093 160 L HA -0.127 4.217 4.340 0.008 0.000 0.208 160 L C 2.421 179.220 176.870 -0.119 0.000 1.085 160 L CA 0.599 55.377 54.840 -0.103 0.000 0.755 160 L CB -0.539 41.451 42.059 -0.116 0.000 0.904 160 L HN 0.324 nan 8.230 nan 0.000 0.435 161 L N 0.346 121.468 121.223 -0.167 0.000 2.191 161 L HA -0.123 4.222 4.340 0.008 0.000 0.212 161 L C 2.347 179.165 176.870 -0.087 0.000 1.103 161 L CA 1.709 56.455 54.840 -0.156 0.000 0.769 161 L CB -0.710 41.218 42.059 -0.218 0.000 0.908 161 L HN 0.163 nan 8.230 nan 0.000 0.438 162 A N -1.704 121.076 122.820 -0.067 0.000 2.275 162 A HA 0.103 4.427 4.320 0.008 0.000 0.212 162 A C 0.845 178.408 177.584 -0.035 0.000 1.201 162 A CA -0.225 51.789 52.037 -0.038 0.000 0.843 162 A CB -0.285 18.701 19.000 -0.024 0.000 0.873 162 A HN 0.127 nan 8.150 nan 0.000 0.492 163 R N 1.259 121.733 120.500 -0.044 0.000 2.291 163 R HA 0.121 4.465 4.340 0.008 0.000 0.333 163 R C -0.020 176.261 176.300 -0.033 0.000 1.082 163 R CA 0.084 56.163 56.100 -0.036 0.000 0.948 163 R CB 0.135 30.411 30.300 -0.040 0.000 1.009 163 R HN 0.557 nan 8.270 nan 0.000 0.460 164 E N 1.130 121.315 120.200 -0.025 0.000 2.338 164 E HA -0.158 4.196 4.350 0.008 0.000 0.197 164 E C 0.733 177.320 176.600 -0.021 0.000 1.007 164 E CA 1.013 57.400 56.400 -0.022 0.000 0.849 164 E CB 0.284 29.974 29.700 -0.017 0.000 0.774 164 E HN 0.570 nan 8.360 nan 0.000 0.506 165 D N 0.206 120.593 120.400 -0.022 0.000 2.348 165 D HA -0.044 4.601 4.640 0.008 0.000 0.211 165 D C 0.731 177.017 176.300 -0.023 0.000 0.998 165 D CA 0.115 54.103 54.000 -0.021 0.000 0.873 165 D CB 0.125 40.913 40.800 -0.020 0.000 0.925 165 D HN 0.119 nan 8.370 nan 0.000 0.524 166 L N 0.929 122.135 121.223 -0.028 0.000 2.379 166 L HA 0.363 4.708 4.340 0.008 0.000 0.269 166 L C 0.424 177.275 176.870 -0.032 0.000 1.084 166 L CA -0.550 54.271 54.840 -0.032 0.000 0.802 166 L CB 1.560 43.594 42.059 -0.042 0.000 1.175 166 L HN 0.031 nan 8.230 nan 0.000 0.448 167 S N 0.430 116.112 115.700 -0.029 0.000 2.541 167 S HA 0.947 5.422 4.470 0.008 0.000 0.271 167 S C -0.410 174.172 174.600 -0.031 0.000 1.133 167 S CA 0.021 58.205 58.200 -0.028 0.000 0.876 167 S CB 2.355 65.548 63.200 -0.012 0.000 1.105 167 S HN 1.162 nan 8.310 nan 0.000 0.470 168 G N 1.206 109.980 108.800 -0.042 0.000 2.217 168 G HA2 0.270 4.234 3.960 0.008 0.000 0.173 168 G HA3 0.270 4.234 3.960 0.008 0.000 0.173 168 G C -0.866 173.972 174.900 -0.105 0.000 1.324 168 G CA -0.098 44.973 45.100 -0.049 0.000 1.225 168 G HN 1.359 nan 8.290 nan 0.000 0.494 169 T N 0.911 115.372 114.554 -0.155 0.000 2.886 169 T HA 0.651 5.006 4.350 0.008 0.000 0.292 169 T C -0.479 173.987 174.700 -0.390 0.000 1.012 169 T CA -0.422 61.469 62.100 -0.348 0.000 0.982 169 T CB 1.577 70.079 68.868 -0.611 0.000 1.018 169 T HN 0.617 nan 8.240 nan 0.000 0.451 170 L N 3.535 124.528 121.223 -0.384 0.000 2.295 170 L HA 0.473 4.817 4.340 0.008 0.000 0.281 170 L C -1.076 175.641 176.870 -0.254 0.000 1.018 170 L CA -0.940 53.749 54.840 -0.251 0.000 0.841 170 L CB 0.451 42.378 42.059 -0.220 0.000 1.218 170 L HN 0.668 nan 8.230 nan 0.000 0.424 171 Y N 2.527 122.803 120.300 -0.040 0.000 2.350 171 Y HA 0.240 4.794 4.550 0.007 0.000 0.340 171 Y C 0.081 176.032 175.900 0.085 0.000 1.006 171 Y CA -0.492 57.620 58.100 0.021 0.000 1.166 171 Y CB 0.900 39.354 38.460 -0.009 0.000 1.168 171 Y HN 0.356 nan 8.280 nan 0.000 0.502 172 F N 4.287 124.294 119.950 0.094 0.000 2.444 172 F HA 0.205 4.736 4.527 0.007 0.000 0.360 172 F C 0.382 176.226 175.800 0.074 0.000 1.106 172 F CA -1.135 56.892 58.000 0.045 0.000 1.170 172 F CB 0.285 39.357 39.000 0.120 0.000 1.113 172 F HN 0.520 nan 8.300 nan 0.000 0.521 173 E N 4.499 124.530 120.200 -0.282 0.000 2.289 173 E HA 0.444 4.799 4.350 0.008 0.000 0.278 173 E C -1.387 174.871 176.600 -0.569 0.000 1.032 173 E CA -0.444 55.809 56.400 -0.245 0.000 0.854 173 E CB 0.976 30.695 29.700 0.031 0.000 1.046 173 E HN 0.481 nan 8.360 nan 0.000 0.409 174 V N 6.155 125.900 119.914 -0.283 0.000 2.540 174 V HA 0.446 4.571 4.120 0.008 0.000 0.302 174 V C -0.482 175.544 176.094 -0.114 0.000 1.035 174 V CA -0.804 61.326 62.300 -0.283 0.000 0.873 174 V CB 1.621 33.359 31.823 -0.141 0.000 0.992 174 V HN 0.622 nan 8.190 nan 0.000 0.428 175 L N 4.984 126.122 121.223 -0.141 0.000 2.482 175 L HA 0.686 5.031 4.340 0.008 0.000 0.269 175 L C -1.239 175.597 176.870 -0.056 0.000 0.967 175 L CA -0.044 54.764 54.840 -0.054 0.000 0.851 175 L CB 1.489 43.513 42.059 -0.058 0.000 1.242 175 L HN 0.773 nan 8.230 nan 0.000 0.404 176 N N 6.236 124.917 118.700 -0.031 0.000 3.127 176 N HA 0.195 4.940 4.740 0.008 0.000 0.239 176 N C -2.752 172.744 175.510 -0.024 0.000 1.200 176 N CA -0.647 52.400 53.050 -0.004 0.000 0.924 176 N CB 2.523 41.037 38.487 0.044 0.000 1.583 176 N HN 0.309 nan 8.380 nan 0.000 0.645 177 P HA 0.168 nan 4.420 nan 0.000 0.249 177 P C -0.304 176.826 177.300 -0.283 0.000 1.229 177 P CA 0.139 63.113 63.100 -0.210 0.000 0.788 177 P CB -0.235 31.315 31.700 -0.250 0.000 1.072 178 F N 1.240 121.202 119.950 0.020 0.000 2.375 178 F HA 0.328 4.859 4.527 0.006 0.000 0.362 178 F C -1.176 174.622 175.800 -0.002 0.000 1.129 178 F CA -2.485 55.528 58.000 0.021 0.000 1.154 178 F CB 0.403 39.402 39.000 -0.001 0.000 1.205 178 F HN -0.154 nan 8.300 nan 0.000 0.513 179 P HA -0.210 nan 4.420 nan 0.000 0.216 179 P C 1.053 178.382 177.300 0.049 0.000 1.154 179 P CA 1.511 64.621 63.100 0.017 0.000 0.865 179 P CB 0.258 31.978 31.700 0.033 0.000 0.789 180 D N -0.969 119.493 120.400 0.103 0.000 2.264 180 D HA -0.109 4.535 4.640 0.008 0.000 0.208 180 D C 1.417 177.748 176.300 0.052 0.000 0.966 180 D CA 1.093 55.134 54.000 0.069 0.000 0.864 180 D CB -0.192 40.647 40.800 0.066 0.000 0.933 180 D HN 0.160 nan 8.370 nan 0.000 0.499 181 K N 0.402 120.849 120.400 0.078 0.000 2.393 181 K HA 0.259 4.584 4.320 0.008 0.000 0.193 181 K C 1.632 178.263 176.600 0.053 0.000 1.026 181 K CA 0.138 56.457 56.287 0.053 0.000 1.064 181 K CB 0.028 32.567 32.500 0.066 0.000 0.833 181 K HN -0.024 nan 8.250 nan 0.000 0.521 182 A N 1.631 124.479 122.820 0.046 0.000 1.873 182 A HA -0.265 4.060 4.320 0.008 0.000 0.218 182 A C 1.515 179.142 177.584 0.071 0.000 1.193 182 A CA 2.254 54.312 52.037 0.036 0.000 0.629 182 A CB -0.595 18.392 19.000 -0.022 0.000 0.826 182 A HN 0.243 nan 8.150 nan 0.000 0.447 183 D N -0.406 120.029 120.400 0.058 0.000 2.104 183 D HA -0.134 4.510 4.640 0.008 0.000 0.194 183 D C 1.954 178.320 176.300 0.111 0.000 0.994 183 D CA 1.431 55.488 54.000 0.095 0.000 0.830 183 D CB -0.341 40.494 40.800 0.059 0.000 0.959 183 D HN 0.445 nan 8.370 nan 0.000 0.452 184 E N 0.345 120.579 120.200 0.056 0.000 2.106 184 E HA -0.068 4.287 4.350 0.008 0.000 0.192 184 E C 2.450 179.059 176.600 0.015 0.000 0.984 184 E CA 0.180 56.593 56.400 0.022 0.000 0.806 184 E CB -0.225 29.475 29.700 0.001 0.000 0.750 184 E HN 0.154 nan 8.360 nan 0.000 0.458 185 V N 1.279 121.216 119.914 0.037 0.000 2.358 185 V HA -0.223 3.902 4.120 0.008 0.000 0.246 185 V C 2.151 178.266 176.094 0.037 0.000 1.047 185 V CA 1.624 63.938 62.300 0.024 0.000 1.035 185 V CB -0.597 31.244 31.823 0.030 0.000 0.658 185 V HN 0.154 nan 8.190 nan 0.000 0.452 186 F N 1.779 121.698 119.950 -0.052 0.000 2.102 186 F HA -0.166 4.366 4.527 0.008 0.000 0.298 186 F C 2.278 178.010 175.800 -0.113 0.000 1.105 186 F CA 1.462 59.415 58.000 -0.079 0.000 1.239 186 F CB -0.702 38.252 39.000 -0.076 0.000 0.991 186 F HN 0.073 nan 8.300 nan 0.000 0.474 187 A N 0.501 123.170 122.820 -0.252 0.000 1.908 187 A HA -0.076 4.248 4.320 0.008 0.000 0.218 187 A C 2.438 179.833 177.584 -0.315 0.000 1.181 187 A CA 1.994 53.827 52.037 -0.339 0.000 0.627 187 A CB -1.607 17.318 19.000 -0.125 0.000 0.818 187 A HN 0.543 nan 8.150 nan 0.000 0.445 188 A N -0.317 122.391 122.820 -0.186 0.000 1.898 188 A HA 0.209 4.534 4.320 0.008 0.000 0.216 188 A C 2.490 180.032 177.584 -0.070 0.000 1.181 188 A CA 1.968 53.931 52.037 -0.123 0.000 0.620 188 A CB -0.931 18.047 19.000 -0.037 0.000 0.819 188 A HN 1.016 nan 8.150 nan 0.000 0.442 189 A N -0.259 122.512 122.820 -0.082 0.000 1.898 189 A HA -0.134 4.190 4.320 0.008 0.000 0.216 189 A C 2.244 179.734 177.584 -0.157 0.000 1.181 189 A CA 1.654 53.713 52.037 0.038 0.000 0.620 189 A CB -0.507 18.508 19.000 0.024 0.000 0.819 189 A HN 0.546 nan 8.150 nan 0.000 0.442 190 R N -0.686 119.498 120.500 -0.528 0.000 2.091 190 R HA -0.136 4.209 4.340 0.008 0.000 0.238 190 R C 2.143 178.221 176.300 -0.370 0.000 1.136 190 R CA 2.128 57.834 56.100 -0.656 0.000 0.959 190 R CB -0.664 28.991 30.300 -1.074 0.000 0.856 190 R HN 0.486 nan 8.270 nan 0.000 0.437 191 T N 0.407 114.742 114.554 -0.365 0.000 2.652 191 T HA -0.173 4.181 4.350 0.008 0.000 0.267 191 T C 1.597 176.019 174.700 -0.462 0.000 1.039 191 T CA 1.495 63.374 62.100 -0.369 0.000 1.153 191 T CB -0.448 68.180 68.868 -0.400 0.000 0.863 191 T HN 0.412 nan 8.240 nan 0.000 0.428 192 H N 0.897 119.658 119.070 -0.516 0.000 2.319 192 H HA 0.023 4.583 4.556 0.007 0.000 0.299 192 H C 2.431 177.212 175.328 -0.912 0.000 1.092 192 H CA 1.216 56.673 56.048 -0.984 0.000 1.302 192 H CB -0.559 28.500 29.762 -1.171 0.000 1.373 192 H HN 0.293 nan 8.280 nan 0.000 0.497 193 L N 0.669 121.749 121.223 -0.239 0.000 2.042 193 L HA -0.186 4.158 4.340 0.008 0.000 0.210 193 L C 2.485 179.373 176.870 0.030 0.000 1.076 193 L CA 1.331 56.209 54.840 0.062 0.000 0.749 193 L CB -0.391 41.791 42.059 0.205 0.000 0.893 193 L HN 0.295 nan 8.230 nan 0.000 0.432 194 E N -0.349 119.819 120.200 -0.054 0.000 2.110 194 E HA -0.243 4.112 4.350 0.008 0.000 0.193 194 E C 2.279 178.829 176.600 -0.083 0.000 0.988 194 E CA 0.822 57.203 56.400 -0.031 0.000 0.804 194 E CB -0.101 29.564 29.700 -0.058 0.000 0.745 194 E HN 0.352 nan 8.360 nan 0.000 0.458 195 R N 0.293 120.663 120.500 -0.218 0.000 2.066 195 R HA -0.127 4.218 4.340 0.008 0.000 0.232 195 R C 1.977 178.220 176.300 -0.095 0.000 1.131 195 R CA 1.381 57.337 56.100 -0.240 0.000 0.955 195 R CB -0.036 29.989 30.300 -0.458 0.000 0.851 195 R HN 0.248 nan 8.270 nan 0.000 0.432 196 W N 0.710 121.969 121.300 -0.067 0.000 2.402 196 W HA -0.056 4.609 4.660 0.008 0.000 0.286 196 W C 2.090 178.578 176.519 -0.052 0.000 1.221 196 W CA 0.469 57.772 57.345 -0.071 0.000 1.257 196 W CB -0.674 28.721 29.460 -0.109 0.000 1.120 196 W HN 0.140 nan 8.180 nan 0.000 0.551 197 R N 1.129 121.734 120.500 0.173 0.000 2.159 197 R HA -0.143 4.202 4.340 0.008 0.000 0.237 197 R C 2.064 178.400 176.300 0.059 0.000 1.131 197 R CA 1.344 57.502 56.100 0.097 0.000 0.982 197 R CB -0.428 29.915 30.300 0.072 0.000 0.868 197 R HN 0.109 nan 8.270 nan 0.000 0.453 198 R N -0.781 119.751 120.500 0.053 0.000 2.193 198 R HA 0.092 4.436 4.340 0.008 0.000 0.213 198 R C 1.620 177.942 176.300 0.036 0.000 1.055 198 R CA 0.854 56.971 56.100 0.030 0.000 0.995 198 R CB 0.016 30.324 30.300 0.012 0.000 0.893 198 R HN 0.221 nan 8.270 nan 0.000 0.459 199 L N 0.681 121.942 121.223 0.064 0.000 2.529 199 L HA 0.104 4.449 4.340 0.008 0.000 0.223 199 L C 0.924 177.810 176.870 0.027 0.000 1.113 199 L CA -0.097 54.775 54.840 0.054 0.000 0.861 199 L CB -0.206 41.910 42.059 0.094 0.000 1.012 199 L HN 0.219 nan 8.230 nan 0.000 0.461 200 E N 2.377 122.593 120.200 0.027 0.000 2.414 200 E HA 0.099 4.454 4.350 0.008 0.000 0.263 200 E C -0.255 176.340 176.600 -0.008 0.000 1.000 200 E CA -0.348 56.051 56.400 -0.002 0.000 0.914 200 E CB 0.651 30.352 29.700 0.002 0.000 0.948 200 E HN 0.242 nan 8.360 nan 0.000 0.444 201 R N 2.545 123.033 120.500 -0.020 0.000 2.912 201 R HA 0.573 4.918 4.340 0.008 0.000 0.262 201 R C -2.786 173.502 176.300 -0.021 0.000 1.057 201 R CA -2.263 53.827 56.100 -0.017 0.000 0.981 201 R CB -0.482 29.808 30.300 -0.016 0.000 1.201 201 R HN 0.275 nan 8.270 nan 0.000 0.484 202 P HA 0.124 nan 4.420 nan 0.000 0.262 202 P C 0.359 177.649 177.300 -0.017 0.000 1.199 202 P CA 1.411 64.502 63.100 -0.015 0.000 0.763 202 P CB 0.702 32.397 31.700 -0.009 0.000 0.790 203 G N 2.488 111.275 108.800 -0.021 0.000 2.254 203 G HA2 -0.205 3.760 3.960 0.008 0.000 0.225 203 G HA3 -0.205 3.760 3.960 0.008 0.000 0.225 203 G C -0.425 174.453 174.900 -0.036 0.000 1.003 203 G CA -0.206 44.881 45.100 -0.022 0.000 0.622 203 G HN 0.577 nan 8.290 nan 0.000 0.507 204 L N 2.095 123.289 121.223 -0.047 0.000 2.485 204 L HA 0.703 5.048 4.340 0.008 0.000 0.260 204 L C 0.318 177.139 176.870 -0.083 0.000 0.998 204 L CA -0.903 53.895 54.840 -0.070 0.000 0.883 204 L CB 0.825 42.844 42.059 -0.068 0.000 1.196 204 L HN 0.501 nan 8.230 nan 0.000 0.443 205 R N 2.877 123.314 120.500 -0.106 0.000 2.720 205 R HA 0.756 5.101 4.340 0.008 0.000 0.272 205 R C -1.005 175.200 176.300 -0.159 0.000 0.991 205 R CA -1.025 55.010 56.100 -0.109 0.000 1.010 205 R CB 1.499 31.741 30.300 -0.096 0.000 1.141 205 R HN 0.438 nan 8.270 nan 0.000 0.494 206 L N 0.842 121.998 121.223 -0.112 0.000 2.350 206 L HA 0.600 4.944 4.340 0.008 0.000 0.275 206 L C -0.216 176.584 176.870 -0.117 0.000 1.099 206 L CA 0.432 55.209 54.840 -0.104 0.000 0.808 206 L CB 1.506 43.570 42.059 0.008 0.000 1.149 206 L HN 0.923 nan 8.230 nan 0.000 0.442 207 G N 3.830 112.541 108.800 -0.148 0.000 3.015 207 G HA2 0.634 4.599 3.960 0.008 0.000 0.281 207 G HA3 0.634 4.599 3.960 0.008 0.000 0.281 207 G C -2.122 172.896 174.900 0.197 0.000 1.386 207 G CA -0.632 44.419 45.100 -0.083 0.000 0.959 207 G HN 0.651 nan 8.290 nan 0.000 0.522 208 L N -0.163 121.271 121.223 0.351 0.000 2.401 208 L HA 0.806 5.151 4.340 0.008 0.000 0.266 208 L C -0.377 176.669 176.870 0.293 0.000 0.991 208 L CA -0.683 54.357 54.840 0.333 0.000 0.818 208 L CB 2.435 44.673 42.059 0.299 0.000 1.321 208 L HN 0.503 nan 8.230 nan 0.000 0.413 209 S N 5.195 121.010 115.700 0.192 0.000 2.524 209 S HA 0.632 5.107 4.470 0.008 0.000 0.227 209 S C -2.774 171.874 174.600 0.081 0.000 1.304 209 S CA -1.113 57.138 58.200 0.085 0.000 1.185 209 S CB 0.797 64.021 63.200 0.041 0.000 1.104 209 S HN 0.404 nan 8.310 nan 0.000 0.475 210 P HA 0.137 nan 4.420 nan 0.000 0.271 210 P C 0.890 178.278 177.300 0.146 0.000 1.233 210 P CA -0.073 63.084 63.100 0.095 0.000 0.764 210 P CB 0.249 31.999 31.700 0.083 0.000 0.825 211 H N 3.058 122.164 119.070 0.061 0.000 2.261 211 H HA -0.155 4.405 4.556 0.007 0.000 0.290 211 H C 0.486 175.894 175.328 0.132 0.000 1.081 211 H CA 2.150 58.269 56.048 0.118 0.000 1.196 211 H CB 0.299 30.068 29.762 0.012 0.000 1.350 211 H HN 0.482 nan 8.280 nan 0.000 0.498 212 T N -4.244 110.227 114.554 -0.139 0.000 2.787 212 T HA 0.236 4.590 4.350 0.008 0.000 0.297 212 T C -2.432 172.220 174.700 -0.080 0.000 1.221 212 T CA -1.312 60.633 62.100 -0.259 0.000 1.006 212 T CB 2.104 70.481 68.868 -0.818 0.000 1.328 212 T HN -0.071 nan 8.240 nan 0.000 0.509 213 P HA 0.170 nan 4.420 nan 0.000 0.233 213 P C 0.712 178.284 177.300 0.453 0.000 1.167 213 P CA 0.297 63.628 63.100 0.385 0.000 0.770 213 P CB -0.246 31.750 31.700 0.492 0.000 0.837 214 F N -2.890 117.261 119.950 0.336 0.000 2.682 214 F HA 0.338 4.870 4.527 0.007 0.000 0.308 214 F C 1.018 177.023 175.800 0.341 0.000 1.093 214 F CA 0.112 58.282 58.000 0.284 0.000 1.244 214 F CB -1.169 37.998 39.000 0.278 0.000 1.052 214 F HN -0.244 nan 8.300 nan 0.000 0.573 215 T N -1.656 112.858 114.554 -0.066 0.000 3.085 215 T HA 0.474 4.829 4.350 0.008 0.000 0.264 215 T C -0.058 174.651 174.700 0.014 0.000 1.019 215 T CA -0.120 61.989 62.100 0.015 0.000 0.910 215 T CB -0.218 68.660 68.868 0.018 0.000 1.059 215 T HN -0.010 nan 8.240 nan 0.000 0.542 216 V N 2.672 122.623 119.914 0.062 0.000 2.569 216 V HA 0.550 4.674 4.120 0.008 0.000 0.301 216 V C 0.320 176.476 176.094 0.104 0.000 1.044 216 V CA -1.170 61.172 62.300 0.070 0.000 0.874 216 V CB 1.807 33.684 31.823 0.090 0.000 1.002 216 V HN 0.615 nan 8.190 nan 0.000 0.424 217 S N 2.473 118.204 115.700 0.051 0.000 2.576 217 S HA 0.053 4.528 4.470 0.008 0.000 0.272 217 S C 1.334 175.967 174.600 0.055 0.000 1.352 217 S CA 0.741 58.958 58.200 0.029 0.000 1.021 217 S CB 0.336 63.491 63.200 -0.075 0.000 0.887 217 S HN 1.059 nan 8.310 nan 0.000 0.542 218 H N 1.220 120.401 119.070 0.185 0.000 2.387 218 H HA -0.107 4.453 4.556 0.006 0.000 0.299 218 H C 2.158 177.553 175.328 0.112 0.000 1.099 218 H CA 1.627 57.813 56.048 0.229 0.000 1.315 218 H CB -0.275 29.645 29.762 0.264 0.000 1.380 218 H HN 0.666 nan 8.280 nan 0.000 0.513 219 R N 0.224 120.424 120.500 -0.499 0.000 2.073 219 R HA -0.111 4.233 4.340 0.008 0.000 0.234 219 R C 2.163 178.391 176.300 -0.119 0.000 1.134 219 R CA 1.461 57.416 56.100 -0.242 0.000 0.952 219 R CB -0.287 29.828 30.300 -0.308 0.000 0.850 219 R HN 0.414 nan 8.270 nan 0.000 0.433 220 L N 0.693 121.861 121.223 -0.092 0.000 2.083 220 L HA -0.109 4.235 4.340 0.008 0.000 0.209 220 L C 2.283 179.152 176.870 -0.002 0.000 1.083 220 L CA 1.676 56.499 54.840 -0.029 0.000 0.752 220 L CB -0.461 41.608 42.059 0.017 0.000 0.899 220 L HN 0.279 nan 8.230 nan 0.000 0.433 221 M N -0.573 119.044 119.600 0.029 0.000 2.117 221 M HA -0.182 4.303 4.480 0.008 0.000 0.262 221 M C 2.354 178.663 176.300 0.014 0.000 1.065 221 M CA 1.760 57.092 55.300 0.053 0.000 1.114 221 M CB -0.356 32.304 32.600 0.099 0.000 1.361 221 M HN 0.155 nan 8.290 nan 0.000 0.408 222 R N -0.578 119.916 120.500 -0.009 0.000 2.090 222 R HA -0.024 4.321 4.340 0.008 0.000 0.228 222 R C 2.228 178.471 176.300 -0.096 0.000 1.110 222 R CA 1.430 57.510 56.100 -0.034 0.000 0.973 222 R CB -0.569 29.721 30.300 -0.018 0.000 0.869 222 R HN 0.417 nan 8.270 nan 0.000 0.440 223 L N 0.639 121.743 121.223 -0.197 0.000 2.046 223 L HA -0.200 4.144 4.340 0.008 0.000 0.208 223 L C 2.344 179.006 176.870 -0.348 0.000 1.077 223 L CA 1.272 55.813 54.840 -0.498 0.000 0.747 223 L CB -0.392 41.164 42.059 -0.838 0.000 0.896 223 L HN 0.202 nan 8.230 nan 0.000 0.432 224 L N -0.714 120.479 121.223 -0.050 0.000 2.027 224 L HA -0.168 4.176 4.340 0.008 0.000 0.206 224 L C 2.890 179.879 176.870 0.199 0.000 1.074 224 L CA 1.532 56.494 54.840 0.202 0.000 0.745 224 L CB -0.647 41.526 42.059 0.190 0.000 0.898 224 L HN 0.357 nan 8.230 nan 0.000 0.433 225 S N -0.924 114.834 115.700 0.097 0.000 2.368 225 S HA -0.177 4.297 4.470 0.008 0.000 0.224 225 S C 1.576 176.222 174.600 0.076 0.000 1.029 225 S CA 1.225 59.474 58.200 0.080 0.000 0.988 225 S CB -0.455 62.765 63.200 0.033 0.000 0.838 225 S HN 0.334 nan 8.310 nan 0.000 0.462 226 D N 0.552 120.983 120.400 0.052 0.000 2.117 226 D HA -0.060 4.584 4.640 0.008 0.000 0.197 226 D C 1.640 178.004 176.300 0.106 0.000 0.987 226 D CA 1.238 55.265 54.000 0.046 0.000 0.829 226 D CB -0.603 40.200 40.800 0.004 0.000 0.961 226 D HN 0.538 nan 8.370 nan 0.000 0.460 227 Y N 1.644 121.979 120.300 0.058 0.000 2.097 227 Y HA -0.214 4.340 4.550 0.006 0.000 0.282 227 Y C 2.272 178.252 175.900 0.134 0.000 1.152 227 Y CA 1.910 60.109 58.100 0.164 0.000 1.136 227 Y CB -0.537 38.162 38.460 0.399 0.000 0.975 227 Y HN -0.047 nan 8.280 nan 0.000 0.498 228 A N 0.485 123.391 122.820 0.143 0.000 1.902 228 A HA -0.132 4.192 4.320 0.008 0.000 0.217 228 A C 2.442 180.009 177.584 -0.029 0.000 1.181 228 A CA 2.088 54.146 52.037 0.035 0.000 0.623 228 A CB -1.572 17.514 19.000 0.143 0.000 0.818 228 A HN 0.632 nan 8.150 nan 0.000 0.443 229 A N -0.562 122.260 122.820 0.004 0.000 1.902 229 A HA 0.095 4.419 4.320 0.008 0.000 0.217 229 A C 2.405 179.966 177.584 -0.038 0.000 1.181 229 A CA 2.006 54.039 52.037 -0.007 0.000 0.623 229 A CB -1.351 17.653 19.000 0.007 0.000 0.818 229 A HN 0.750 nan 8.150 nan 0.000 0.443 230 G N -1.055 107.709 108.800 -0.059 0.000 2.421 230 G HA2 -0.094 3.870 3.960 0.008 0.000 0.217 230 G HA3 -0.094 3.870 3.960 0.008 0.000 0.217 230 G C 1.284 176.109 174.900 -0.125 0.000 1.143 230 G CA 0.816 45.871 45.100 -0.074 0.000 0.784 230 G HN 0.460 nan 8.290 nan 0.000 0.541 231 E N 0.172 120.236 120.200 -0.227 0.000 2.474 231 E HA 0.145 4.500 4.350 0.008 0.000 0.194 231 E C 1.682 178.203 176.600 -0.132 0.000 1.041 231 E CA 0.504 56.761 56.400 -0.238 0.000 0.874 231 E CB 0.110 29.528 29.700 -0.470 0.000 0.914 231 E HN 0.396 nan 8.360 nan 0.000 0.498 232 G N 1.718 110.464 108.800 -0.091 0.000 2.182 232 G HA2 -0.277 3.687 3.960 0.008 0.000 0.248 232 G HA3 -0.277 3.687 3.960 0.008 0.000 0.248 232 G C 0.043 174.925 174.900 -0.031 0.000 1.042 232 G CA 0.123 45.195 45.100 -0.046 0.000 0.775 232 G HN 0.193 nan 8.290 nan 0.000 0.501 233 L N 1.742 122.950 121.223 -0.025 0.000 2.275 233 L HA 0.417 4.762 4.340 0.008 0.000 0.288 233 L C -1.263 175.643 176.870 0.059 0.000 1.046 233 L CA -2.195 52.656 54.840 0.017 0.000 0.805 233 L CB 1.328 43.419 42.059 0.054 0.000 1.193 233 L HN 0.006 nan 8.230 nan 0.000 0.426 234 P HA 0.159 nan 4.420 nan 0.000 0.269 234 P C -0.999 176.462 177.300 0.270 0.000 1.215 234 P CA -0.097 63.085 63.100 0.136 0.000 0.780 234 P CB 1.175 32.937 31.700 0.104 0.000 0.898 235 L N 1.782 123.149 121.223 0.240 0.000 2.354 235 L HA 0.491 4.836 4.340 0.008 0.000 0.269 235 L C 0.335 177.199 176.870 -0.010 0.000 1.005 235 L CA -0.587 54.355 54.840 0.170 0.000 0.819 235 L CB 2.139 44.249 42.059 0.085 0.000 1.311 235 L HN 0.343 nan 8.230 nan 0.000 0.423 236 Q N 3.007 122.683 119.800 -0.207 0.000 2.271 236 Q HA 0.627 4.971 4.340 0.008 0.000 0.268 236 Q C -1.609 174.208 176.000 -0.305 0.000 1.021 236 Q CA -0.444 55.105 55.803 -0.422 0.000 0.802 236 Q CB 3.219 31.419 28.738 -0.898 0.000 1.282 236 Q HN 0.484 nan 8.270 nan 0.000 0.431 237 I N 1.899 122.305 120.570 -0.274 0.000 2.533 237 I HA 0.308 4.483 4.170 0.008 0.000 0.290 237 I C -0.864 175.111 176.117 -0.236 0.000 1.056 237 I CA -0.891 60.300 61.300 -0.182 0.000 1.057 237 I CB 1.767 39.729 38.000 -0.064 0.000 1.240 237 I HN 0.581 nan 8.210 nan 0.000 0.423 238 H N 4.649 123.668 119.070 -0.084 0.000 2.819 238 H HA 0.459 5.020 4.556 0.007 0.000 0.303 238 H C -0.659 174.674 175.328 0.009 0.000 1.058 238 H CA -0.115 55.908 56.048 -0.042 0.000 1.471 238 H CB 0.862 30.637 29.762 0.022 0.000 1.480 238 H HN 0.184 nan 8.280 nan 0.000 0.517 239 V N 1.851 121.849 119.914 0.140 0.000 2.638 239 V HA 0.475 4.599 4.120 0.008 0.000 0.306 239 V C 0.333 176.514 176.094 0.145 0.000 1.052 239 V CA -0.600 61.774 62.300 0.124 0.000 0.885 239 V CB 1.632 33.487 31.823 0.054 0.000 0.999 239 V HN 1.060 nan 8.190 nan 0.000 0.424 240 A N 2.617 125.521 122.820 0.141 0.000 2.745 240 A HA -0.235 4.090 4.320 0.008 0.000 0.296 240 A C 1.506 179.156 177.584 0.112 0.000 1.500 240 A CA 1.570 53.672 52.037 0.109 0.000 0.766 240 A CB -1.583 17.462 19.000 0.074 0.000 1.030 240 A HN 1.118 nan 8.150 nan 0.000 0.489 241 E N -0.184 120.094 120.200 0.130 0.000 2.028 241 E HA -0.161 4.193 4.350 0.008 0.000 0.191 241 E C 0.979 177.517 176.600 -0.103 0.000 0.988 241 E CA 1.043 57.452 56.400 0.015 0.000 0.799 241 E CB -0.007 29.673 29.700 -0.034 0.000 0.755 241 E HN 0.853 nan 8.360 nan 0.000 0.447 242 H N -0.518 118.360 119.070 -0.320 0.000 2.499 242 H HA 0.144 4.705 4.556 0.007 0.000 0.340 242 H C -1.861 173.361 175.328 -0.177 0.000 1.148 242 H CA -2.130 53.662 56.048 -0.426 0.000 1.215 242 H CB 2.023 31.129 29.762 -1.092 0.000 1.529 242 H HN -0.002 nan 8.280 nan 0.000 0.510 243 P HA -0.158 nan 4.420 nan 0.000 0.219 243 P C 1.174 178.511 177.300 0.061 0.000 1.146 243 P CA 1.648 64.678 63.100 -0.116 0.000 0.808 243 P CB -0.064 31.531 31.700 -0.175 0.000 0.779 244 T N -2.914 111.800 114.554 0.267 0.000 3.051 244 T HA -0.118 4.237 4.350 0.008 0.000 0.269 244 T C 1.827 176.605 174.700 0.131 0.000 1.127 244 T CA 0.849 63.102 62.100 0.254 0.000 1.107 244 T CB -0.621 68.483 68.868 0.392 0.000 0.898 244 T HN 0.264 nan 8.240 nan 0.000 0.517 245 E N 0.465 120.723 120.200 0.096 0.000 2.051 245 E HA -0.047 4.307 4.350 0.008 0.000 0.189 245 E C 2.062 178.763 176.600 0.170 0.000 0.979 245 E CA 0.587 57.027 56.400 0.067 0.000 0.803 245 E CB -0.165 29.602 29.700 0.112 0.000 0.761 245 E HN 0.422 nan 8.360 nan 0.000 0.451 246 L N 1.801 123.087 121.223 0.106 0.000 2.083 246 L HA -0.153 4.191 4.340 0.008 0.000 0.209 246 L C 2.192 179.137 176.870 0.125 0.000 1.083 246 L CA 2.015 56.912 54.840 0.095 0.000 0.752 246 L CB -0.462 41.624 42.059 0.045 0.000 0.899 246 L HN 0.204 nan 8.230 nan 0.000 0.433 247 E N -0.321 119.937 120.200 0.097 0.000 2.051 247 E HA -0.287 4.068 4.350 0.008 0.000 0.192 247 E C 2.240 178.873 176.600 0.054 0.000 0.991 247 E CA 2.032 58.477 56.400 0.074 0.000 0.799 247 E CB -0.246 29.499 29.700 0.074 0.000 0.748 247 E HN 0.726 nan 8.360 nan 0.000 0.449 248 M N -1.271 118.354 119.600 0.041 0.000 2.296 248 M HA -0.038 4.446 4.480 0.008 0.000 0.265 248 M C 1.547 177.744 176.300 -0.172 0.000 1.064 248 M CA 1.307 56.554 55.300 -0.089 0.000 1.109 248 M CB -0.393 32.108 32.600 -0.165 0.000 1.396 248 M HN -0.053 nan 8.290 nan 0.000 0.430 249 F N 1.287 121.161 119.950 -0.127 0.000 2.407 249 F HA 0.050 4.581 4.527 0.007 0.000 0.299 249 F C 2.471 178.217 175.800 -0.091 0.000 1.097 249 F CA 1.259 59.186 58.000 -0.122 0.000 1.422 249 F CB -0.191 38.770 39.000 -0.065 0.000 1.067 249 F HN 0.107 nan 8.300 nan 0.000 0.539 250 R N -1.158 119.393 120.500 0.085 0.000 2.112 250 R HA 0.001 4.346 4.340 0.008 0.000 0.216 250 R C 1.970 178.261 176.300 -0.015 0.000 1.080 250 R CA 1.703 57.826 56.100 0.039 0.000 0.996 250 R CB -0.293 30.035 30.300 0.046 0.000 0.902 250 R HN 0.310 nan 8.270 nan 0.000 0.449 251 T N -4.852 109.677 114.554 -0.042 0.000 2.959 251 T HA 0.240 4.594 4.350 0.008 0.000 0.254 251 T C 1.343 175.975 174.700 -0.113 0.000 1.003 251 T CA 0.498 62.565 62.100 -0.056 0.000 0.950 251 T CB 1.248 70.102 68.868 -0.024 0.000 1.090 251 T HN 0.304 nan 8.240 nan 0.000 0.503 252 G N 0.323 109.002 108.800 -0.202 0.000 2.176 252 G HA2 0.052 4.016 3.960 0.008 0.000 0.253 252 G HA3 0.052 4.016 3.960 0.008 0.000 0.253 252 G C 0.504 175.224 174.900 -0.300 0.000 0.979 252 G CA -0.048 44.844 45.100 -0.346 0.000 0.641 252 G HN 1.193 nan 8.290 nan 0.000 0.530 253 G N -1.645 107.095 108.800 -0.101 0.000 3.195 253 G HA2 0.956 4.920 3.960 0.008 0.000 0.217 253 G HA3 0.956 4.920 3.960 0.008 0.000 0.217 253 G C 0.552 175.511 174.900 0.099 0.000 1.166 253 G CA 0.821 45.964 45.100 0.070 0.000 0.812 253 G HN 2.168 nan 8.290 nan 0.000 0.617 254 G N -1.345 107.525 108.800 0.118 0.000 2.603 254 G HA2 0.101 4.066 3.960 0.008 0.000 0.686 254 G HA3 0.101 4.066 3.960 0.008 0.000 0.686 254 G C -1.946 173.047 174.900 0.154 0.000 1.286 254 G CA 0.088 45.256 45.100 0.114 0.000 0.871 254 G HN 0.552 nan 8.290 nan 0.000 0.568 255 P HA -0.084 nan 4.420 nan 0.000 0.217 255 P C 2.121 179.670 177.300 0.416 0.000 1.148 255 P CA 1.358 64.603 63.100 0.243 0.000 0.834 255 P CB 0.149 31.959 31.700 0.184 0.000 0.783 256 L N -1.923 119.495 121.223 0.325 0.000 2.013 256 L HA -0.058 4.287 4.340 0.008 0.000 0.204 256 L C 2.343 179.261 176.870 0.080 0.000 1.081 256 L CA 1.347 56.298 54.840 0.185 0.000 0.751 256 L CB -0.895 41.209 42.059 0.075 0.000 0.901 256 L HN 0.069 nan 8.230 nan 0.000 0.440 257 W N 1.331 122.556 121.300 -0.124 0.000 2.335 257 W HA -0.253 4.412 4.660 0.008 0.000 0.311 257 W C 1.742 178.199 176.519 -0.103 0.000 1.213 257 W CA 1.849 59.078 57.345 -0.194 0.000 1.274 257 W CB -0.210 29.126 29.460 -0.206 0.000 1.148 257 W HN 0.361 nan 8.180 nan 0.000 0.498 258 D N -0.361 120.062 120.400 0.040 0.000 2.378 258 D HA -0.115 4.530 4.640 0.008 0.000 0.222 258 D C 0.488 176.754 176.300 -0.057 0.000 0.980 258 D CA 1.113 55.096 54.000 -0.029 0.000 0.907 258 D CB -0.562 40.282 40.800 0.074 0.000 0.899 258 D HN 0.423 nan 8.370 nan 0.000 0.527 259 N N -0.318 118.364 118.700 -0.030 0.000 2.238 259 N HA 0.057 4.802 4.740 0.008 0.000 0.235 259 N C 0.068 175.553 175.510 -0.041 0.000 1.209 259 N CA -0.386 52.684 53.050 0.034 0.000 0.879 259 N CB 1.076 39.705 38.487 0.236 0.000 1.136 259 N HN 0.132 nan 8.380 nan 0.000 0.517 260 R N 0.293 120.669 120.500 -0.207 0.000 2.649 260 R HA 0.308 4.653 4.340 0.008 0.000 0.270 260 R C -0.257 175.966 176.300 -0.128 0.000 1.105 260 R CA -0.285 55.682 56.100 -0.221 0.000 1.193 260 R CB 0.501 30.464 30.300 -0.562 0.000 1.120 260 R HN -0.046 nan 8.270 nan 0.000 0.561 261 M N 2.603 122.195 119.600 -0.014 0.000 2.108 261 M HA 0.160 4.645 4.480 0.008 0.000 0.347 261 M C -1.459 174.859 176.300 0.030 0.000 1.326 261 M CA -2.055 53.255 55.300 0.016 0.000 1.126 261 M CB 1.683 34.312 32.600 0.049 0.000 1.606 261 M HN 0.551 nan 8.290 nan 0.000 0.462 262 P HA -0.241 nan 4.420 nan 0.000 0.216 262 P C 0.963 178.293 177.300 0.051 0.000 1.154 262 P CA 1.914 65.001 63.100 -0.021 0.000 0.865 262 P CB 0.045 31.741 31.700 -0.006 0.000 0.789 263 A N -0.468 122.393 122.820 0.068 0.000 2.121 263 A HA -0.047 4.278 4.320 0.008 0.000 0.218 263 A C 2.305 179.988 177.584 0.165 0.000 1.154 263 A CA 0.867 52.959 52.037 0.092 0.000 0.679 263 A CB -1.287 17.748 19.000 0.059 0.000 0.795 263 A HN 0.190 nan 8.150 nan 0.000 0.458 264 L N -2.097 119.210 121.223 0.139 0.000 2.558 264 L HA 0.151 4.496 4.340 0.008 0.000 0.225 264 L C -0.112 176.659 176.870 -0.166 0.000 1.128 264 L CA 0.195 55.057 54.840 0.037 0.000 0.868 264 L CB -0.279 41.721 42.059 -0.098 0.000 1.006 264 L HN 0.399 nan 8.230 nan 0.000 0.454 265 Y N -1.865 118.412 120.300 -0.038 0.000 2.615 265 Y HA 0.459 5.014 4.550 0.007 0.000 0.341 265 Y C -2.340 173.427 175.900 -0.221 0.000 1.089 265 Y CA -2.602 55.306 58.100 -0.320 0.000 1.049 265 Y CB 0.840 39.212 38.460 -0.147 0.000 1.296 265 Y HN -0.277 nan 8.280 nan 0.000 0.470 266 P HA 0.076 nan 4.420 nan 0.000 0.273 266 P C 0.502 177.900 177.300 0.163 0.000 1.250 266 P CA 0.089 63.249 63.100 0.101 0.000 0.793 266 P CB 0.607 32.370 31.700 0.106 0.000 1.011 267 H N -1.514 117.724 119.070 0.281 0.000 2.491 267 H HA -0.001 4.560 4.556 0.007 0.000 0.290 267 H C 0.748 176.311 175.328 0.392 0.000 1.050 267 H CA 1.381 57.590 56.048 0.268 0.000 1.309 267 H CB -0.246 29.623 29.762 0.179 0.000 1.392 267 H HN 0.447 nan 8.280 nan 0.000 0.554 268 T N -2.612 112.191 114.554 0.415 0.000 2.903 268 T HA 0.270 4.624 4.350 0.008 0.000 0.299 268 T C 0.871 175.444 174.700 -0.211 0.000 1.093 268 T CA -0.872 61.332 62.100 0.173 0.000 1.002 268 T CB 2.084 70.972 68.868 0.034 0.000 1.127 268 T HN -0.045 nan 8.240 nan 0.000 0.488 269 L N 2.178 122.856 121.223 -0.909 0.000 2.141 269 L HA 0.220 4.564 4.340 0.008 0.000 0.209 269 L C 2.700 179.264 176.870 -0.511 0.000 1.094 269 L CA 2.383 56.612 54.840 -1.018 0.000 0.763 269 L CB -1.292 39.965 42.059 -1.338 0.000 0.908 269 L HN 0.959 nan 8.230 nan 0.000 0.437 270 A N -0.642 121.948 122.820 -0.383 0.000 1.948 270 A HA -0.261 4.064 4.320 0.008 0.000 0.220 270 A C 2.165 179.680 177.584 -0.115 0.000 1.177 270 A CA 2.014 53.911 52.037 -0.233 0.000 0.636 270 A CB -0.610 18.293 19.000 -0.161 0.000 0.815 270 A HN 0.636 nan 8.150 nan 0.000 0.449 271 E N -0.554 119.615 120.200 -0.052 0.000 2.150 271 E HA -0.086 4.268 4.350 0.008 0.000 0.193 271 E C 1.947 178.604 176.600 0.095 0.000 0.985 271 E CA 1.100 57.532 56.400 0.054 0.000 0.814 271 E CB -0.195 29.568 29.700 0.105 0.000 0.752 271 E HN 0.448 nan 8.360 nan 0.000 0.466 272 V N 1.940 121.868 119.914 0.024 0.000 2.307 272 V HA -0.207 3.917 4.120 0.008 0.000 0.245 272 V C 2.316 178.502 176.094 0.152 0.000 1.045 272 V CA 1.808 64.146 62.300 0.064 0.000 1.024 272 V CB -0.471 31.372 31.823 0.035 0.000 0.651 272 V HN 0.377 nan 8.190 nan 0.000 0.449 273 I N -1.595 118.966 120.570 -0.015 0.000 3.728 273 I HA 0.448 4.623 4.170 0.008 0.000 0.307 273 I C 1.493 177.612 176.117 0.004 0.000 1.276 273 I CA 0.861 62.134 61.300 -0.045 0.000 1.285 273 I CB -0.323 37.315 38.000 -0.602 0.000 1.038 273 I HN 0.380 nan 8.210 nan 0.000 0.445 274 G N 2.744 111.497 108.800 -0.078 0.000 2.153 274 G HA2 -0.295 3.670 3.960 0.008 0.000 0.252 274 G HA3 -0.295 3.670 3.960 0.008 0.000 0.252 274 G C 0.226 174.994 174.900 -0.220 0.000 0.994 274 G CA 0.517 45.372 45.100 -0.408 0.000 0.698 274 G HN 0.866 nan 8.290 nan 0.000 0.521 275 R N -1.760 118.659 120.500 -0.136 0.000 2.716 275 R HA 0.627 4.972 4.340 0.008 0.000 0.271 275 R C -1.248 174.983 176.300 -0.115 0.000 1.028 275 R CA -1.150 54.896 56.100 -0.090 0.000 0.883 275 R CB 0.897 31.180 30.300 -0.029 0.000 1.250 275 R HN -0.011 nan 8.270 nan 0.000 0.465 276 E N 1.740 121.887 120.200 -0.088 0.000 2.313 276 E HA 0.284 4.639 4.350 0.008 0.000 0.276 276 E C -2.090 174.441 176.600 -0.115 0.000 1.031 276 E CA -1.778 54.558 56.400 -0.107 0.000 0.857 276 E CB 0.979 30.636 29.700 -0.071 0.000 1.040 276 E HN 0.371 nan 8.360 nan 0.000 0.408 277 P HA 0.256 nan 4.420 nan 0.000 0.272 277 P C -0.369 176.885 177.300 -0.076 0.000 1.223 277 P CA -0.130 62.875 63.100 -0.158 0.000 0.784 277 P CB 0.769 32.319 31.700 -0.250 0.000 0.923 278 G N 0.815 109.598 108.800 -0.028 0.000 2.646 278 G HA2 0.378 4.343 3.960 0.008 0.000 0.291 278 G HA3 0.378 4.343 3.960 0.008 0.000 0.291 278 G C -2.629 172.278 174.900 0.012 0.000 1.445 278 G CA -1.039 44.055 45.100 -0.010 0.000 0.814 278 G HN 0.089 nan 8.290 nan 0.000 0.495 279 P HA -0.082 nan 4.420 nan 0.000 0.217 279 P C 1.031 178.345 177.300 0.022 0.000 1.151 279 P CA 1.734 64.842 63.100 0.014 0.000 0.849 279 P CB 0.244 31.948 31.700 0.007 0.000 0.787 280 D N -2.116 118.299 120.400 0.024 0.000 2.340 280 D HA 0.049 4.694 4.640 0.008 0.000 0.217 280 D C 0.399 176.726 176.300 0.045 0.000 1.081 280 D CA -0.084 53.933 54.000 0.028 0.000 0.842 280 D CB -0.446 40.367 40.800 0.021 0.000 0.934 280 D HN 0.128 nan 8.370 nan 0.000 0.511 281 L N 1.434 122.696 121.223 0.065 0.000 2.343 281 L HA 0.578 4.923 4.340 0.008 0.000 0.275 281 L C -0.175 176.767 176.870 0.121 0.000 1.056 281 L CA 0.060 54.965 54.840 0.109 0.000 0.804 281 L CB 1.856 44.002 42.059 0.144 0.000 1.203 281 L HN 0.134 nan 8.230 nan 0.000 0.440 282 T N 0.687 115.301 114.554 0.100 0.000 2.868 282 T HA 0.518 4.873 4.350 0.008 0.000 0.306 282 T C -2.401 172.172 174.700 -0.211 0.000 1.224 282 T CA -1.279 60.811 62.100 -0.016 0.000 1.012 282 T CB 1.746 70.599 68.868 -0.024 0.000 1.221 282 T HN 0.451 nan 8.240 nan 0.000 0.499 283 P HA -0.075 nan 4.420 nan 0.000 0.218 283 P C 1.619 178.811 177.300 -0.181 0.000 1.148 283 P CA 0.691 63.272 63.100 -0.865 0.000 0.822 283 P CB -0.111 31.075 31.700 -0.857 0.000 0.784 284 V N 0.810 120.661 119.914 -0.105 0.000 2.323 284 V HA -0.157 3.967 4.120 0.008 0.000 0.244 284 V C 3.023 179.116 176.094 -0.002 0.000 1.041 284 V CA 1.773 64.058 62.300 -0.024 0.000 1.025 284 V CB -1.195 30.628 31.823 -0.001 0.000 0.656 284 V HN 0.067 nan 8.190 nan 0.000 0.451 285 R N -0.825 119.685 120.500 0.017 0.000 2.081 285 R HA -0.228 4.117 4.340 0.008 0.000 0.235 285 R C 2.425 178.774 176.300 0.083 0.000 1.131 285 R CA 2.022 58.147 56.100 0.041 0.000 0.960 285 R CB -0.495 29.837 30.300 0.054 0.000 0.856 285 R HN 0.606 nan 8.270 nan 0.000 0.436 286 Y N 1.388 121.697 120.300 0.015 0.000 2.081 286 Y HA -0.249 4.305 4.550 0.007 0.000 0.280 286 Y C 1.810 177.746 175.900 0.060 0.000 1.163 286 Y CA 1.866 60.013 58.100 0.079 0.000 1.135 286 Y CB -0.611 37.960 38.460 0.186 0.000 0.970 286 Y HN 0.040 nan 8.280 nan 0.000 0.498 287 L N -0.027 121.012 121.223 -0.307 0.000 2.083 287 L HA -0.185 4.160 4.340 0.008 0.000 0.209 287 L C 2.285 179.031 176.870 -0.208 0.000 1.083 287 L CA 1.711 56.325 54.840 -0.377 0.000 0.752 287 L CB -0.694 41.267 42.059 -0.163 0.000 0.899 287 L HN 0.247 nan 8.230 nan 0.000 0.433 288 D N 0.297 120.633 120.400 -0.107 0.000 2.097 288 D HA -0.199 4.446 4.640 0.008 0.000 0.195 288 D C 2.041 178.304 176.300 -0.062 0.000 0.989 288 D CA 1.323 55.286 54.000 -0.063 0.000 0.827 288 D CB 0.124 40.907 40.800 -0.029 0.000 0.966 288 D HN 0.298 nan 8.370 nan 0.000 0.456 289 E N -0.650 119.519 120.200 -0.053 0.000 2.274 289 E HA -0.096 4.259 4.350 0.008 0.000 0.194 289 E C 1.818 178.385 176.600 -0.056 0.000 0.996 289 E CA 0.075 56.457 56.400 -0.031 0.000 0.840 289 E CB 0.050 29.756 29.700 0.010 0.000 0.772 289 E HN 0.247 nan 8.360 nan 0.000 0.491 290 L N 0.006 121.149 121.223 -0.134 0.000 2.395 290 L HA 0.091 4.435 4.340 0.008 0.000 0.218 290 L C 1.338 178.153 176.870 -0.091 0.000 1.130 290 L CA 1.674 56.428 54.840 -0.143 0.000 0.826 290 L CB -0.070 41.788 42.059 -0.337 0.000 0.941 290 L HN 0.231 nan 8.230 nan 0.000 0.451 291 G N -2.131 106.619 108.800 -0.083 0.000 2.157 291 G HA2 -0.261 3.704 3.960 0.008 0.000 0.248 291 G HA3 -0.261 3.704 3.960 0.008 0.000 0.248 291 G C 0.875 175.744 174.900 -0.052 0.000 0.979 291 G CA 0.390 45.459 45.100 -0.051 0.000 0.650 291 G HN 0.234 nan 8.290 nan 0.000 0.529 292 V N 0.899 120.765 119.914 -0.080 0.000 2.591 292 V HA 0.029 4.154 4.120 0.008 0.000 0.249 292 V C 2.767 178.837 176.094 -0.041 0.000 1.053 292 V CA 1.889 64.153 62.300 -0.061 0.000 1.068 292 V CB -0.289 31.481 31.823 -0.089 0.000 0.689 292 V HN 0.489 nan 8.190 nan 0.000 0.462 293 L N 0.332 121.527 121.223 -0.046 0.000 2.456 293 L HA -0.061 4.283 4.340 0.008 0.000 0.224 293 L C 2.617 179.478 176.870 -0.015 0.000 1.148 293 L CA 0.982 55.806 54.840 -0.027 0.000 0.825 293 L CB -0.793 41.251 42.059 -0.025 0.000 0.937 293 L HN 0.374 nan 8.230 nan 0.000 0.450 294 A N 0.496 123.305 122.820 -0.017 0.000 2.019 294 A HA -0.097 4.227 4.320 0.008 0.000 0.219 294 A C 2.359 179.941 177.584 -0.003 0.000 1.164 294 A CA 1.531 53.563 52.037 -0.010 0.000 0.644 294 A CB -0.358 18.636 19.000 -0.011 0.000 0.805 294 A HN 0.385 nan 8.150 nan 0.000 0.449 295 A N -1.362 121.457 122.820 -0.001 0.000 2.238 295 A HA 0.274 4.599 4.320 0.008 0.000 0.208 295 A C 1.078 178.668 177.584 0.010 0.000 1.177 295 A CA 0.341 52.383 52.037 0.007 0.000 0.804 295 A CB -0.404 18.606 19.000 0.016 0.000 0.823 295 A HN 0.477 nan 8.150 nan 0.000 0.482 296 R N -1.420 119.083 120.500 0.005 0.000 3.333 296 R HA -0.121 4.223 4.340 0.008 0.000 0.256 296 R C -2.389 173.915 176.300 0.006 0.000 1.010 296 R CA 0.597 56.700 56.100 0.006 0.000 0.680 296 R CB -1.878 28.428 30.300 0.010 0.000 1.102 296 R HN 0.513 nan 8.270 nan 0.000 0.440 297 P HA 0.037 nan 4.420 nan 0.000 0.272 297 P C -0.219 177.060 177.300 -0.035 0.000 1.223 297 P CA 0.109 63.204 63.100 -0.008 0.000 0.784 297 P CB 0.791 32.483 31.700 -0.014 0.000 0.923 298 T N 3.024 117.541 114.554 -0.062 0.000 2.794 298 T HA 0.310 4.664 4.350 0.008 0.000 0.296 298 T C 0.312 174.910 174.700 -0.170 0.000 0.949 298 T CA -0.158 61.876 62.100 -0.109 0.000 1.101 298 T CB -0.130 68.665 68.868 -0.122 0.000 0.905 298 T HN 0.190 nan 8.240 nan 0.000 0.516 299 L N 3.935 125.061 121.223 -0.163 0.000 2.275 299 L HA 0.532 4.877 4.340 0.008 0.000 0.288 299 L C -0.141 176.553 176.870 -0.292 0.000 1.046 299 L CA -1.026 53.707 54.840 -0.179 0.000 0.805 299 L CB 1.197 43.207 42.059 -0.081 0.000 1.193 299 L HN 0.307 nan 8.230 nan 0.000 0.426 300 V N 3.321 123.008 119.914 -0.377 0.000 2.539 300 V HA 0.430 4.554 4.120 0.008 0.000 0.292 300 V C 0.515 176.370 176.094 -0.399 0.000 1.045 300 V CA -0.200 61.745 62.300 -0.591 0.000 0.945 300 V CB 1.053 32.274 31.823 -1.004 0.000 0.993 300 V HN 0.892 nan 8.190 nan 0.000 0.464 301 H N 2.621 121.506 119.070 -0.309 0.000 4.733 301 H HA -0.209 4.351 4.556 0.007 0.000 0.059 301 H C 1.211 176.451 175.328 -0.146 0.000 0.616 301 H CA 1.321 57.254 56.048 -0.193 0.000 0.914 301 H CB -1.023 28.720 29.762 -0.031 0.000 0.432 301 H HN 0.648 nan 8.280 nan 0.000 0.812 302 M N 0.511 120.179 119.600 0.113 0.000 2.206 302 M HA -0.179 4.306 4.480 0.008 0.000 0.197 302 M C 1.261 177.748 176.300 0.311 0.000 0.375 302 M CA 0.832 56.233 55.300 0.168 0.000 0.410 302 M CB -2.083 30.573 32.600 0.093 0.000 1.204 302 M HN 0.265 nan 8.290 nan 0.000 0.932 303 V N -0.420 119.645 119.914 0.252 0.000 2.446 303 V HA -0.052 4.073 4.120 0.008 0.000 0.244 303 V C 1.467 177.665 176.094 0.173 0.000 1.039 303 V CA 1.542 63.994 62.300 0.254 0.000 1.045 303 V CB 0.028 31.951 31.823 0.166 0.000 0.681 303 V HN 0.562 nan 8.190 nan 0.000 0.459 304 N N 1.861 120.629 118.700 0.113 0.000 3.105 304 N HA 0.328 5.072 4.740 0.008 0.000 0.256 304 N C -0.557 174.997 175.510 0.073 0.000 1.174 304 N CA 0.199 53.289 53.050 0.068 0.000 1.030 304 N CB 1.558 40.056 38.487 0.018 0.000 1.305 304 N HN 0.401 nan 8.380 nan 0.000 0.509 305 V N -1.545 118.425 119.914 0.094 0.000 3.126 305 V HA 0.720 4.845 4.120 0.008 0.000 0.314 305 V C 0.502 176.608 176.094 0.019 0.000 1.138 305 V CA -0.813 61.529 62.300 0.069 0.000 1.034 305 V CB 1.585 33.489 31.823 0.136 0.000 1.075 305 V HN 0.357 nan 8.190 nan 0.000 0.442 306 T N -1.650 112.896 114.554 -0.012 0.000 2.937 306 T HA 0.637 4.991 4.350 0.008 0.000 0.283 306 T C -2.059 172.594 174.700 -0.079 0.000 1.012 306 T CA -1.855 60.224 62.100 -0.035 0.000 0.997 306 T CB 1.560 70.414 68.868 -0.023 0.000 1.136 306 T HN 0.500 nan 8.240 nan 0.000 0.551 307 P HA -0.040 nan 4.420 nan 0.000 0.215 307 P C 1.008 178.245 177.300 -0.105 0.000 1.153 307 P CA 1.064 64.098 63.100 -0.110 0.000 0.853 307 P CB -0.033 31.619 31.700 -0.079 0.000 0.788 308 D N -1.012 119.347 120.400 -0.068 0.000 2.144 308 D HA -0.172 4.473 4.640 0.008 0.000 0.199 308 D C 1.489 177.753 176.300 -0.059 0.000 0.984 308 D CA 1.158 55.125 54.000 -0.054 0.000 0.834 308 D CB -0.422 40.359 40.800 -0.032 0.000 0.955 308 D HN -0.013 nan 8.370 nan 0.000 0.465 309 D N -0.066 120.300 120.400 -0.058 0.000 2.104 309 D HA -0.145 4.500 4.640 0.008 0.000 0.194 309 D C 2.253 178.504 176.300 -0.081 0.000 0.994 309 D CA 0.718 54.692 54.000 -0.044 0.000 0.830 309 D CB -0.294 40.496 40.800 -0.017 0.000 0.959 309 D HN 0.384 nan 8.370 nan 0.000 0.452 310 I N 1.230 121.690 120.570 -0.184 0.000 2.208 310 I HA -0.275 3.900 4.170 0.008 0.000 0.245 310 I C 2.494 178.496 176.117 -0.191 0.000 1.097 310 I CA 1.073 62.173 61.300 -0.333 0.000 1.363 310 I CB -0.226 37.434 38.000 -0.566 0.000 1.051 310 I HN -0.072 nan 8.210 nan 0.000 0.413 311 A N 0.873 123.613 122.820 -0.133 0.000 1.933 311 A HA -0.196 4.128 4.320 0.008 0.000 0.218 311 A C 2.390 179.943 177.584 -0.051 0.000 1.175 311 A CA 1.447 53.435 52.037 -0.083 0.000 0.628 311 A CB -0.525 18.436 19.000 -0.066 0.000 0.814 311 A HN 0.328 nan 8.150 nan 0.000 0.444 312 R N -0.745 119.730 120.500 -0.042 0.000 2.075 312 R HA -0.063 4.282 4.340 0.008 0.000 0.232 312 R C 2.007 178.302 176.300 -0.009 0.000 1.126 312 R CA 1.381 57.468 56.100 -0.022 0.000 0.963 312 R CB -0.539 29.751 30.300 -0.017 0.000 0.858 312 R HN 0.387 nan 8.270 nan 0.000 0.435 313 V N 1.063 120.977 119.914 -0.001 0.000 2.343 313 V HA -0.237 3.888 4.120 0.008 0.000 0.247 313 V C 2.448 178.561 176.094 0.031 0.000 1.051 313 V CA 1.982 64.304 62.300 0.037 0.000 1.036 313 V CB -0.695 31.195 31.823 0.111 0.000 0.654 313 V HN 0.407 nan 8.190 nan 0.000 0.451 314 A N 0.187 123.012 122.820 0.008 0.000 1.902 314 A HA -0.269 4.056 4.320 0.008 0.000 0.217 314 A C 2.409 179.996 177.584 0.006 0.000 1.181 314 A CA 2.127 54.169 52.037 0.009 0.000 0.623 314 A CB -0.594 18.395 19.000 -0.017 0.000 0.818 314 A HN 0.506 nan 8.150 nan 0.000 0.443 315 R N -0.312 120.185 120.500 -0.004 0.000 2.081 315 R HA -0.097 4.248 4.340 0.008 0.000 0.235 315 R C 2.121 178.422 176.300 0.002 0.000 1.131 315 R CA 1.515 57.613 56.100 -0.003 0.000 0.960 315 R CB -0.387 29.908 30.300 -0.008 0.000 0.856 315 R HN 0.418 nan 8.270 nan 0.000 0.436 316 A N -0.270 122.552 122.820 0.003 0.000 2.066 316 A HA 0.134 4.459 4.320 0.008 0.000 0.218 316 A C 1.498 179.088 177.584 0.009 0.000 1.157 316 A CA 0.996 53.036 52.037 0.004 0.000 0.670 316 A CB -0.386 18.615 19.000 0.002 0.000 0.804 316 A HN 0.637 nan 8.150 nan 0.000 0.453 317 G N -1.917 106.892 108.800 0.016 0.000 2.160 317 G HA2 -0.247 3.718 3.960 0.008 0.000 0.244 317 G HA3 -0.247 3.718 3.960 0.008 0.000 0.244 317 G C 0.124 175.036 174.900 0.020 0.000 1.022 317 G CA 0.030 45.142 45.100 0.019 0.000 0.741 317 G HN 0.619 nan 8.290 nan 0.000 0.508 318 C N 0.814 120.129 119.300 0.024 0.000 2.536 318 C HA 0.771 5.236 4.460 0.008 0.000 0.396 318 C C 1.282 176.283 174.990 0.018 0.000 1.279 318 C CA 0.187 59.214 59.018 0.016 0.000 2.148 318 C CB 0.538 28.288 27.740 0.015 0.000 2.584 318 C HN 1.072 nan 8.230 nan 0.000 0.579 319 A N 2.484 125.298 122.820 -0.010 0.000 2.279 319 A HA 0.810 5.135 4.320 0.008 0.000 0.303 319 A C -0.233 177.297 177.584 -0.091 0.000 1.108 319 A CA -0.333 51.683 52.037 -0.034 0.000 0.830 319 A CB 0.601 19.578 19.000 -0.039 0.000 1.106 319 A HN 1.447 nan 8.150 nan 0.000 0.493 320 V N -1.053 118.763 119.914 -0.163 0.000 2.876 320 V HA 0.820 4.944 4.120 0.008 0.000 0.312 320 V C -0.715 175.123 176.094 -0.426 0.000 1.085 320 V CA -0.746 61.376 62.300 -0.298 0.000 0.945 320 V CB 1.350 32.948 31.823 -0.375 0.000 1.017 320 V HN 0.668 nan 8.190 nan 0.000 0.428 321 V N 2.590 122.208 119.914 -0.494 0.000 2.448 321 V HA 0.640 4.765 4.120 0.008 0.000 0.295 321 V C 0.281 175.963 176.094 -0.687 0.000 1.025 321 V CA -0.010 61.983 62.300 -0.510 0.000 0.859 321 V CB 1.604 33.199 31.823 -0.380 0.000 0.988 321 V HN 1.150 nan 8.190 nan 0.000 0.431 322 T N 3.903 118.010 114.554 -0.744 0.000 2.855 322 T HA 0.421 4.775 4.350 0.008 0.000 0.281 322 T C -0.548 173.975 174.700 -0.294 0.000 1.007 322 T CA -0.284 61.370 62.100 -0.743 0.000 1.009 322 T CB 0.700 68.836 68.868 -1.221 0.000 0.983 322 T HN 0.761 nan 8.240 nan 0.000 0.455 323 C N 8.096 127.335 119.300 -0.101 0.000 2.621 323 C HA 0.365 4.829 4.460 0.008 0.000 0.272 323 C C -1.271 173.789 174.990 0.118 0.000 1.119 323 C CA -1.193 57.858 59.018 0.056 0.000 1.593 323 C CB 0.172 28.005 27.740 0.156 0.000 1.749 323 C HN 0.726 nan 8.230 nan 0.000 0.420 324 P HA -0.182 nan 4.420 nan 0.000 0.212 324 P C 1.744 179.029 177.300 -0.026 0.000 1.174 324 P CA 1.836 65.081 63.100 0.241 0.000 0.934 324 P CB 0.120 32.086 31.700 0.444 0.000 0.791 325 R N -0.767 119.522 120.500 -0.352 0.000 2.091 325 R HA -0.118 4.227 4.340 0.008 0.000 0.238 325 R C 2.604 178.801 176.300 -0.171 0.000 1.136 325 R CA 1.799 57.535 56.100 -0.606 0.000 0.959 325 R CB -1.272 28.765 30.300 -0.438 0.000 0.856 325 R HN 0.202 nan 8.270 nan 0.000 0.437 326 S N 0.891 116.597 115.700 0.010 0.000 2.359 326 S HA -0.161 4.314 4.470 0.008 0.000 0.224 326 S C 1.620 176.242 174.600 0.037 0.000 1.035 326 S CA 1.581 59.831 58.200 0.083 0.000 1.018 326 S CB -0.215 63.077 63.200 0.152 0.000 0.876 326 S HN 0.308 nan 8.310 nan 0.000 0.448 327 N N 0.481 119.218 118.700 0.061 0.000 2.166 327 N HA -0.123 4.621 4.740 0.008 0.000 0.186 327 N C 1.572 177.115 175.510 0.055 0.000 1.019 327 N CA 1.595 54.679 53.050 0.057 0.000 0.856 327 N CB -0.950 37.617 38.487 0.133 0.000 0.993 327 N HN 0.700 nan 8.380 nan 0.000 0.426 328 H N 0.592 119.634 119.070 -0.047 0.000 2.299 328 H HA -0.015 4.545 4.556 0.008 0.000 0.302 328 H C 1.716 176.975 175.328 -0.115 0.000 1.078 328 H CA 1.748 57.750 56.048 -0.078 0.000 1.323 328 H CB -0.241 29.452 29.762 -0.114 0.000 1.381 328 H HN 0.287 nan 8.280 nan 0.000 0.498 329 H N -0.218 118.746 119.070 -0.177 0.000 2.456 329 H HA -0.023 4.537 4.556 0.007 0.000 0.296 329 H C 1.899 177.134 175.328 -0.155 0.000 1.079 329 H CA 1.269 57.190 56.048 -0.212 0.000 1.322 329 H CB 0.029 29.730 29.762 -0.103 0.000 1.388 329 H HN 0.371 nan 8.280 nan 0.000 0.538 330 L N 0.525 121.735 121.223 -0.022 0.000 2.611 330 L HA 0.026 4.371 4.340 0.008 0.000 0.229 330 L C 0.232 177.144 176.870 0.071 0.000 1.137 330 L CA 0.140 54.968 54.840 -0.020 0.000 0.901 330 L CB 0.010 42.002 42.059 -0.111 0.000 1.098 330 L HN 0.140 nan 8.230 nan 0.000 0.456 331 E N -1.581 118.620 120.200 0.002 0.000 2.269 331 E HA -0.292 4.062 4.350 0.008 0.000 0.223 331 E C 0.866 177.462 176.600 -0.007 0.000 1.244 331 E CA 0.343 56.754 56.400 0.018 0.000 0.713 331 E CB -1.988 27.762 29.700 0.082 0.000 1.178 331 E HN 0.535 nan 8.360 nan 0.000 0.370 332 C N -0.046 119.227 119.300 -0.044 0.000 2.673 332 C HA 0.357 4.822 4.460 0.008 0.000 0.264 332 C C 1.519 176.427 174.990 -0.137 0.000 1.304 332 C CA 0.351 59.267 59.018 -0.171 0.000 1.727 332 C CB -0.997 26.677 27.740 -0.110 0.000 1.932 332 C HN 0.934 nan 8.230 nan 0.000 0.563 333 G N 0.228 109.007 108.800 -0.034 0.000 2.549 333 G HA2 0.001 3.965 3.960 0.008 0.000 0.404 333 G HA3 0.001 3.965 3.960 0.008 0.000 0.404 333 G C -0.738 174.222 174.900 0.100 0.000 1.292 333 G CA -0.337 44.773 45.100 0.017 0.000 0.935 333 G HN 0.145 nan 8.290 nan 0.000 0.512 334 T N 0.640 115.275 114.554 0.135 0.000 2.812 334 T HA 0.524 4.878 4.350 0.008 0.000 0.282 334 T C -0.222 174.663 174.700 0.308 0.000 0.990 334 T CA -0.150 62.083 62.100 0.222 0.000 0.960 334 T CB 1.449 70.418 68.868 0.169 0.000 0.948 334 T HN 1.035 nan 8.240 nan 0.000 0.438 335 F N 3.481 123.574 119.950 0.239 0.000 2.602 335 F HA 0.097 4.629 4.527 0.007 0.000 0.385 335 F C 0.746 176.747 175.800 0.334 0.000 1.063 335 F CA -0.639 57.489 58.000 0.214 0.000 1.233 335 F CB 0.380 39.456 39.000 0.126 0.000 1.067 335 F HN 0.435 nan 8.300 nan 0.000 0.564 336 D N 7.844 128.064 120.400 -0.301 0.000 2.551 336 D HA -0.073 4.571 4.640 0.008 0.000 0.223 336 D C 0.983 177.016 176.300 -0.445 0.000 1.144 336 D CA 0.022 53.916 54.000 -0.176 0.000 1.025 336 D CB -0.337 40.436 40.800 -0.046 0.000 1.085 336 D HN 0.733 nan 8.370 nan 0.000 0.506 337 W N 3.915 124.760 121.300 -0.758 0.000 2.335 337 W HA -0.132 4.533 4.660 0.008 0.000 0.311 337 W C -1.050 175.274 176.519 -0.324 0.000 1.213 337 W CA 0.788 57.744 57.345 -0.647 0.000 1.274 337 W CB -1.393 27.556 29.460 -0.852 0.000 1.148 337 W HN 0.375 nan 8.180 nan 0.000 0.498 338 P HA -0.187 nan 4.420 nan 0.000 0.216 338 P C 1.493 178.815 177.300 0.036 0.000 1.150 338 P CA 3.035 66.149 63.100 0.023 0.000 0.837 338 P CB -0.349 31.350 31.700 -0.002 0.000 0.786 339 A N -0.866 121.948 122.820 -0.009 0.000 1.898 339 A HA -0.125 4.199 4.320 0.008 0.000 0.216 339 A C 2.123 179.635 177.584 -0.120 0.000 1.181 339 A CA 1.200 53.185 52.037 -0.088 0.000 0.620 339 A CB -1.683 17.221 19.000 -0.160 0.000 0.819 339 A HN 0.060 nan 8.150 nan 0.000 0.442 340 F N 0.120 119.986 119.950 -0.140 0.000 2.186 340 F HA -0.050 4.481 4.527 0.007 0.000 0.299 340 F C 2.775 178.582 175.800 0.012 0.000 1.090 340 F CA 1.038 58.986 58.000 -0.087 0.000 1.307 340 F CB -0.275 38.636 39.000 -0.148 0.000 1.019 340 F HN 0.263 nan 8.300 nan 0.000 0.489 341 A N 0.018 123.002 122.820 0.272 0.000 1.877 341 A HA -0.104 4.220 4.320 0.008 0.000 0.216 341 A C 2.382 180.035 177.584 0.115 0.000 1.186 341 A CA 1.717 53.896 52.037 0.238 0.000 0.620 341 A CB -1.323 17.843 19.000 0.276 0.000 0.822 341 A HN 0.302 nan 8.150 nan 0.000 0.443 342 A N -0.320 122.538 122.820 0.064 0.000 1.972 342 A HA 0.185 4.509 4.320 0.008 0.000 0.219 342 A C 2.310 179.895 177.584 0.002 0.000 1.169 342 A CA 1.887 53.935 52.037 0.019 0.000 0.635 342 A CB -0.769 18.226 19.000 -0.007 0.000 0.810 342 A HN 1.104 nan 8.150 nan 0.000 0.446 343 A N -1.820 120.990 122.820 -0.016 0.000 2.206 343 A HA 0.398 4.722 4.320 0.008 0.000 0.211 343 A C 1.791 179.379 177.584 0.008 0.000 1.158 343 A CA 1.217 53.233 52.037 -0.036 0.000 0.761 343 A CB -0.922 18.010 19.000 -0.114 0.000 0.801 343 A HN 1.905 nan 8.150 nan 0.000 0.473 344 G N -1.288 107.539 108.800 0.046 0.000 2.147 344 G HA2 -0.183 3.781 3.960 0.008 0.000 0.244 344 G HA3 -0.183 3.781 3.960 0.008 0.000 0.244 344 G C 0.085 175.033 174.900 0.079 0.000 1.005 344 G CA 0.141 45.277 45.100 0.060 0.000 0.713 344 G HN 0.776 nan 8.290 nan 0.000 0.515 345 V N 0.484 120.469 119.914 0.117 0.000 2.530 345 V HA 0.457 4.581 4.120 0.008 0.000 0.282 345 V C 0.811 176.978 176.094 0.122 0.000 1.048 345 V CA -0.401 61.986 62.300 0.146 0.000 0.997 345 V CB 1.664 33.661 31.823 0.290 0.000 0.987 345 V HN 0.473 nan 8.190 nan 0.000 0.477 346 E N 4.403 124.646 120.200 0.072 0.000 2.351 346 E HA 0.265 4.620 4.350 0.008 0.000 0.266 346 E C -0.860 175.722 176.600 -0.031 0.000 1.031 346 E CA 0.165 56.587 56.400 0.037 0.000 0.911 346 E CB 0.860 30.574 29.700 0.024 0.000 0.986 346 E HN 0.431 nan 8.360 nan 0.000 0.446 347 V N 3.763 123.639 119.914 -0.064 0.000 2.513 347 V HA 0.807 4.932 4.120 0.008 0.000 0.299 347 V C 0.053 176.017 176.094 -0.216 0.000 1.035 347 V CA -0.394 61.744 62.300 -0.271 0.000 0.889 347 V CB 1.325 32.803 31.823 -0.574 0.000 0.988 347 V HN 0.852 nan 8.190 nan 0.000 0.440 348 A N 4.703 127.349 122.820 -0.289 0.000 2.386 348 A HA 0.964 5.289 4.320 0.008 0.000 0.308 348 A C -1.180 176.272 177.584 -0.220 0.000 1.128 348 A CA -0.711 51.226 52.037 -0.167 0.000 0.789 348 A CB 1.443 20.374 19.000 -0.115 0.000 1.325 348 A HN 0.745 nan 8.150 nan 0.000 0.437 349 L N 0.538 121.716 121.223 -0.075 0.000 2.334 349 L HA 0.750 5.095 4.340 0.008 0.000 0.276 349 L C 0.567 177.428 176.870 -0.014 0.000 1.014 349 L CA -0.362 54.456 54.840 -0.036 0.000 0.815 349 L CB 2.271 44.394 42.059 0.105 0.000 1.268 349 L HN 0.910 nan 8.230 nan 0.000 0.428 350 G N -0.824 107.971 108.800 -0.009 0.000 2.694 350 G HA2 0.478 4.442 3.960 0.008 0.000 0.290 350 G HA3 0.478 4.442 3.960 0.008 0.000 0.290 350 G C 0.119 175.061 174.900 0.069 0.000 1.386 350 G CA 0.163 45.288 45.100 0.041 0.000 0.872 350 G HN 0.564 nan 8.290 nan 0.000 0.475 351 T N -2.695 111.911 114.554 0.087 0.000 3.001 351 T HA 0.291 4.646 4.350 0.008 0.000 0.251 351 T C 0.557 175.343 174.700 0.144 0.000 1.040 351 T CA 0.994 63.149 62.100 0.091 0.000 0.985 351 T CB 0.079 68.985 68.868 0.063 0.000 1.011 351 T HN 0.769 nan 8.240 nan 0.000 0.509 352 D N 1.616 122.139 120.400 0.205 0.000 5.703 352 D HA -0.164 4.481 4.640 0.008 0.000 0.317 352 D C 0.056 176.480 176.300 0.208 0.000 2.508 352 D CA 0.911 55.100 54.000 0.315 0.000 1.333 352 D CB -0.822 40.191 40.800 0.355 0.000 1.145 352 D HN 0.685 nan 8.370 nan 0.000 1.293 353 S N -1.046 114.787 115.700 0.222 0.000 2.589 353 S HA 0.277 4.752 4.470 0.008 0.000 0.265 353 S C 1.964 176.638 174.600 0.124 0.000 1.342 353 S CA 0.235 58.527 58.200 0.153 0.000 1.005 353 S CB 1.164 64.435 63.200 0.118 0.000 0.909 353 S HN 1.150 nan 8.310 nan 0.000 0.555 354 V N -0.764 119.213 119.914 0.105 0.000 3.078 354 V HA 0.112 4.236 4.120 0.008 0.000 0.265 354 V C 2.447 178.600 176.094 0.098 0.000 1.122 354 V CA 1.310 63.668 62.300 0.097 0.000 1.141 354 V CB -2.070 29.818 31.823 0.109 0.000 0.735 354 V HN 0.997 nan 8.190 nan 0.000 0.498 355 A N 1.735 124.630 122.820 0.124 0.000 1.940 355 A HA -0.134 4.191 4.320 0.008 0.000 0.219 355 A C 2.473 180.099 177.584 0.070 0.000 1.176 355 A CA 2.537 54.656 52.037 0.136 0.000 0.631 355 A CB -0.606 18.551 19.000 0.263 0.000 0.814 355 A HN 0.992 nan 8.150 nan 0.000 0.446 356 S N -2.962 112.780 115.700 0.069 0.000 2.549 356 S HA 0.312 4.786 4.470 0.008 0.000 0.225 356 S C 1.536 176.191 174.600 0.093 0.000 1.039 356 S CA 0.720 58.937 58.200 0.029 0.000 0.942 356 S CB -0.011 63.174 63.200 -0.026 0.000 0.881 356 S HN 0.626 nan 8.310 nan 0.000 0.503 357 G N 0.475 109.332 108.800 0.094 0.000 3.088 357 G HA2 0.445 4.410 3.960 0.008 0.000 0.217 357 G HA3 0.445 4.410 3.960 0.008 0.000 0.217 357 G C 0.423 175.363 174.900 0.066 0.000 1.159 357 G CA 0.330 45.490 45.100 0.099 0.000 0.760 357 G HN 0.491 nan 8.290 nan 0.000 0.550 358 E N -1.442 118.776 120.200 0.031 0.000 4.374 358 E HA -0.267 4.087 4.350 0.008 0.000 0.182 358 E C 0.935 177.551 176.600 0.027 0.000 1.240 358 E CA 1.846 58.252 56.400 0.009 0.000 2.386 358 E CB -1.489 28.227 29.700 0.027 0.000 1.805 358 E HN 0.635 nan 8.360 nan 0.000 0.421 359 T N -2.342 112.232 114.554 0.034 0.000 2.838 359 T HA 0.660 5.014 4.350 0.008 0.000 0.292 359 T C 0.386 175.104 174.700 0.031 0.000 1.113 359 T CA -0.713 61.405 62.100 0.030 0.000 1.008 359 T CB 1.377 70.256 68.868 0.019 0.000 1.259 359 T HN 0.140 nan 8.240 nan 0.000 0.520 360 L N 0.644 121.879 121.223 0.021 0.000 2.611 360 L HA 0.335 4.679 4.340 0.008 0.000 0.229 360 L C 0.867 177.732 176.870 -0.009 0.000 1.137 360 L CA -0.197 54.652 54.840 0.014 0.000 0.901 360 L CB -0.300 41.766 42.059 0.012 0.000 1.098 360 L HN 0.588 nan 8.230 nan 0.000 0.456 361 N N 0.333 119.023 118.700 -0.016 0.000 2.469 361 N HA 0.068 4.812 4.740 0.008 0.000 0.239 361 N C 0.851 176.332 175.510 -0.049 0.000 1.053 361 N CA -0.015 53.004 53.050 -0.051 0.000 0.937 361 N CB 1.495 39.951 38.487 -0.052 0.000 1.163 361 N HN -0.156 nan 8.380 nan 0.000 0.509 362 V N 4.581 124.453 119.914 -0.069 0.000 2.720 362 V HA -0.185 3.939 4.120 0.008 0.000 0.256 362 V C 2.125 178.189 176.094 -0.050 0.000 1.082 362 V CA 1.419 63.698 62.300 -0.036 0.000 1.101 362 V CB -0.439 31.367 31.823 -0.029 0.000 0.693 362 V HN 0.638 nan 8.190 nan 0.000 0.479 363 R N 0.060 120.446 120.500 -0.189 0.000 2.127 363 R HA -0.195 4.149 4.340 0.008 0.000 0.238 363 R C 2.150 178.491 176.300 0.068 0.000 1.134 363 R CA 1.605 57.601 56.100 -0.174 0.000 0.975 363 R CB -0.245 29.861 30.300 -0.324 0.000 0.865 363 R HN 0.608 nan 8.270 nan 0.000 0.447 364 E N 0.178 120.407 120.200 0.049 0.000 2.208 364 E HA -0.118 4.236 4.350 0.008 0.000 0.193 364 E C 1.689 178.385 176.600 0.160 0.000 0.988 364 E CA 0.534 56.996 56.400 0.104 0.000 0.828 364 E CB 0.208 29.948 29.700 0.068 0.000 0.763 364 E HN 0.266 nan 8.360 nan 0.000 0.478 365 E N 0.291 120.580 120.200 0.149 0.000 2.158 365 E HA -0.090 4.265 4.350 0.008 0.000 0.191 365 E C 2.233 179.007 176.600 0.290 0.000 0.982 365 E CA 0.471 56.998 56.400 0.211 0.000 0.823 365 E CB -0.002 29.799 29.700 0.168 0.000 0.766 365 E HN 0.128 nan 8.360 nan 0.000 0.468 366 V N 1.372 121.444 119.914 0.263 0.000 2.295 366 V HA -0.226 3.898 4.120 0.008 0.000 0.246 366 V C 2.347 178.579 176.094 0.230 0.000 1.049 366 V CA 2.098 64.566 62.300 0.280 0.000 1.024 366 V CB -0.793 31.246 31.823 0.361 0.000 0.648 366 V HN 0.268 nan 8.190 nan 0.000 0.447 367 T N -0.147 114.541 114.554 0.224 0.000 2.708 367 T HA -0.206 4.149 4.350 0.008 0.000 0.266 367 T C 1.697 176.491 174.700 0.157 0.000 1.037 367 T CA 1.960 64.163 62.100 0.172 0.000 1.146 367 T CB -0.400 68.570 68.868 0.169 0.000 0.865 367 T HN 0.412 nan 8.240 nan 0.000 0.435 368 F N 1.889 121.878 119.950 0.065 0.000 2.134 368 F HA 0.013 4.544 4.527 0.008 0.000 0.299 368 F C 2.446 178.255 175.800 0.015 0.000 1.097 368 F CA 0.932 58.946 58.000 0.024 0.000 1.264 368 F CB -0.540 38.481 39.000 0.035 0.000 1.001 368 F HN 0.136 nan 8.300 nan 0.000 0.479 369 A N -0.016 122.950 122.820 0.243 0.000 1.969 369 A HA -0.198 4.126 4.320 0.008 0.000 0.218 369 A C 2.140 179.759 177.584 0.058 0.000 1.169 369 A CA 1.640 53.815 52.037 0.231 0.000 0.635 369 A CB -0.700 18.573 19.000 0.454 0.000 0.810 369 A HN 0.367 nan 8.150 nan 0.000 0.445 370 R N 0.298 120.812 120.500 0.025 0.000 2.096 370 R HA -0.150 4.195 4.340 0.008 0.000 0.235 370 R C 2.098 178.333 176.300 -0.109 0.000 1.127 370 R CA 2.233 58.319 56.100 -0.025 0.000 0.968 370 R CB -0.603 29.692 30.300 -0.007 0.000 0.861 370 R HN 0.696 nan 8.270 nan 0.000 0.440 371 Q N -0.362 119.316 119.800 -0.202 0.000 2.123 371 Q HA -0.036 4.308 4.340 0.008 0.000 0.199 371 Q C 2.142 177.913 176.000 -0.382 0.000 0.966 371 Q CA 1.401 57.031 55.803 -0.288 0.000 0.845 371 Q CB -0.062 28.445 28.738 -0.384 0.000 0.907 371 Q HN 0.336 nan 8.270 nan 0.000 0.439 372 L N -0.596 120.298 121.223 -0.548 0.000 2.093 372 L HA -0.111 4.234 4.340 0.008 0.000 0.208 372 L C 0.378 176.799 176.870 -0.749 0.000 1.085 372 L CA 0.897 55.282 54.840 -0.759 0.000 0.755 372 L CB 0.038 41.427 42.059 -1.116 0.000 0.904 372 L HN 0.242 nan 8.230 nan 0.000 0.435 373 Y N -0.685 119.574 120.300 -0.068 0.000 2.915 373 Y HA 0.249 4.803 4.550 0.008 0.000 0.350 373 Y C -1.464 174.381 175.900 -0.092 0.000 1.061 373 Y CA -2.100 55.959 58.100 -0.069 0.000 1.179 373 Y CB -0.050 38.356 38.460 -0.091 0.000 1.180 373 Y HN -0.051 nan 8.280 nan 0.000 0.605 374 P HA -0.179 nan 4.420 nan 0.000 0.217 374 P C 1.423 178.719 177.300 -0.006 0.000 1.148 374 P CA 1.757 64.846 63.100 -0.020 0.000 0.828 374 P CB 0.356 32.035 31.700 -0.036 0.000 0.783 375 G N -0.834 107.973 108.800 0.013 0.000 2.777 375 G HA2 0.064 4.029 3.960 0.008 0.000 0.211 375 G HA3 0.064 4.029 3.960 0.008 0.000 0.211 375 G C 0.460 175.347 174.900 -0.021 0.000 1.149 375 G CA -0.134 44.966 45.100 -0.001 0.000 0.785 375 G HN 0.211 nan 8.290 nan 0.000 0.536 376 L N 1.491 122.698 121.223 -0.027 0.000 2.367 376 L HA 0.345 4.690 4.340 0.008 0.000 0.275 376 L C -0.253 176.545 176.870 -0.120 0.000 1.129 376 L CA -1.028 53.745 54.840 -0.110 0.000 0.839 376 L CB 1.109 43.038 42.059 -0.217 0.000 1.133 376 L HN 0.010 nan 8.230 nan 0.000 0.453 377 D N 6.474 126.803 120.400 -0.118 0.000 2.412 377 D HA 0.061 4.706 4.640 0.008 0.000 0.257 377 D C -1.722 174.503 176.300 -0.124 0.000 1.217 377 D CA -0.988 52.956 54.000 -0.093 0.000 0.897 377 D CB 1.188 41.948 40.800 -0.066 0.000 1.132 377 D HN 0.403 nan 8.370 nan 0.000 0.493 378 P HA -0.170 nan 4.420 nan 0.000 0.218 378 P C 0.991 178.236 177.300 -0.093 0.000 1.146 378 P CA 1.174 64.219 63.100 -0.093 0.000 0.813 378 P CB 0.168 31.832 31.700 -0.059 0.000 0.778 379 R N -0.884 119.573 120.500 -0.072 0.000 2.120 379 R HA -0.072 4.273 4.340 0.008 0.000 0.234 379 R C 2.003 178.263 176.300 -0.066 0.000 1.123 379 R CA 1.027 57.096 56.100 -0.051 0.000 0.975 379 R CB -1.026 29.265 30.300 -0.015 0.000 0.866 379 R HN 0.138 nan 8.270 nan 0.000 0.446 380 V N 1.405 121.262 119.914 -0.095 0.000 2.427 380 V HA -0.211 3.913 4.120 0.008 0.000 0.248 380 V C 2.216 178.257 176.094 -0.088 0.000 1.051 380 V CA 1.561 63.808 62.300 -0.089 0.000 1.048 380 V CB -0.370 31.353 31.823 -0.167 0.000 0.666 380 V HN 0.278 nan 8.190 nan 0.000 0.456 381 L N -0.604 120.501 121.223 -0.197 0.000 2.027 381 L HA -0.128 4.217 4.340 0.008 0.000 0.206 381 L C 2.477 179.383 176.870 0.061 0.000 1.074 381 L CA 1.145 55.914 54.840 -0.118 0.000 0.745 381 L CB -0.786 41.191 42.059 -0.137 0.000 0.898 381 L HN 0.182 nan 8.230 nan 0.000 0.433 382 V N -0.031 119.873 119.914 -0.016 0.000 2.358 382 V HA -0.264 3.861 4.120 0.008 0.000 0.246 382 V C 2.701 178.697 176.094 -0.163 0.000 1.047 382 V CA 1.831 64.107 62.300 -0.039 0.000 1.035 382 V CB -0.720 31.013 31.823 -0.151 0.000 0.658 382 V HN 0.466 nan 8.190 nan 0.000 0.452 383 R N 0.466 120.802 120.500 -0.273 0.000 2.091 383 R HA -0.184 4.161 4.340 0.008 0.000 0.238 383 R C 2.265 178.438 176.300 -0.211 0.000 1.136 383 R CA 1.783 57.578 56.100 -0.508 0.000 0.959 383 R CB -0.428 29.701 30.300 -0.284 0.000 0.856 383 R HN 0.475 nan 8.270 nan 0.000 0.437 384 A N 0.895 123.731 122.820 0.028 0.000 1.877 384 A HA -0.094 4.230 4.320 0.008 0.000 0.216 384 A C 2.408 180.057 177.584 0.108 0.000 1.186 384 A CA 1.692 53.817 52.037 0.147 0.000 0.620 384 A CB -0.821 18.446 19.000 0.445 0.000 0.822 384 A HN 0.550 nan 8.150 nan 0.000 0.443 385 A N -0.839 122.074 122.820 0.154 0.000 1.940 385 A HA 0.020 4.345 4.320 0.008 0.000 0.219 385 A C 2.198 179.861 177.584 0.132 0.000 1.176 385 A CA 2.118 54.260 52.037 0.176 0.000 0.631 385 A CB -0.681 18.504 19.000 0.308 0.000 0.814 385 A HN 0.398 nan 8.150 nan 0.000 0.446 386 V N -0.765 119.199 119.914 0.083 0.000 2.398 386 V HA -0.028 4.096 4.120 0.008 0.000 0.236 386 V C 2.384 178.516 176.094 0.064 0.000 1.054 386 V CA 1.865 64.225 62.300 0.100 0.000 1.060 386 V CB -0.545 31.367 31.823 0.149 0.000 0.707 386 V HN 0.491 nan 8.190 nan 0.000 0.480 387 K N 1.350 121.734 120.400 -0.028 0.000 2.062 387 K HA 0.001 4.326 4.320 0.008 0.000 0.205 387 K C 2.009 178.632 176.600 0.038 0.000 1.051 387 K CA 1.714 58.031 56.287 0.051 0.000 0.941 387 K CB -1.166 31.374 32.500 0.066 0.000 0.719 387 K HN 0.354 nan 8.250 nan 0.000 0.440 388 G N -0.325 108.483 108.800 0.014 0.000 2.476 388 G HA2 -0.243 3.722 3.960 0.008 0.000 0.218 388 G HA3 -0.243 3.722 3.960 0.008 0.000 0.218 388 G C 1.640 176.549 174.900 0.015 0.000 1.164 388 G CA 1.018 46.130 45.100 0.019 0.000 0.768 388 G HN 0.488 nan 8.290 nan 0.000 0.560 389 G N -0.417 108.397 108.800 0.023 0.000 2.418 389 G HA2 -0.218 3.747 3.960 0.008 0.000 0.217 389 G HA3 -0.218 3.747 3.960 0.008 0.000 0.217 389 G C 1.747 176.670 174.900 0.038 0.000 1.158 389 G CA 1.224 46.340 45.100 0.025 0.000 0.771 389 G HN 0.416 nan 8.290 nan 0.000 0.545 390 Q N 0.722 120.552 119.800 0.050 0.000 2.084 390 Q HA -0.084 4.261 4.340 0.008 0.000 0.202 390 Q C 2.678 178.705 176.000 0.045 0.000 0.978 390 Q CA 1.147 56.982 55.803 0.054 0.000 0.844 390 Q CB -0.255 28.528 28.738 0.074 0.000 0.898 390 Q HN 0.498 nan 8.270 nan 0.000 0.426 391 R N -0.598 119.927 120.500 0.043 0.000 2.115 391 R HA -0.066 4.278 4.340 0.008 0.000 0.230 391 R C 2.410 178.730 176.300 0.033 0.000 1.111 391 R CA 1.267 57.389 56.100 0.037 0.000 0.976 391 R CB -0.136 30.185 30.300 0.035 0.000 0.870 391 R HN 0.113 nan 8.270 nan 0.000 0.445 392 V N 0.740 120.673 119.914 0.032 0.000 2.323 392 V HA -0.154 3.970 4.120 0.008 0.000 0.244 392 V C 2.251 178.393 176.094 0.080 0.000 1.041 392 V CA 1.780 64.107 62.300 0.044 0.000 1.025 392 V CB -0.064 31.772 31.823 0.020 0.000 0.656 392 V HN 0.282 nan 8.190 nan 0.000 0.451 393 V N -1.747 118.207 119.914 0.066 0.000 3.506 393 V HA 0.581 4.706 4.120 0.008 0.000 0.263 393 V C 1.043 177.141 176.094 0.008 0.000 1.203 393 V CA 0.412 62.744 62.300 0.053 0.000 1.133 393 V CB -0.903 30.950 31.823 0.049 0.000 0.802 393 V HN 0.797 nan 8.190 nan 0.000 0.459 398 P HA 0.461 nan 4.420 nan 0.000 0.266 398 P C -0.587 176.713 177.300 -0.001 0.000 1.193 398 P CA 0.023 63.181 63.100 0.097 0.000 0.770 398 P CB 0.201 32.038 31.700 0.228 0.000 0.836 399 F N 1.724 121.667 119.950 -0.012 0.000 2.422 399 F HA 0.569 5.100 4.527 0.008 0.000 0.333 399 F C -0.392 175.326 175.800 -0.136 0.000 1.095 399 F CA -1.037 56.912 58.000 -0.085 0.000 1.038 399 F CB 0.933 39.910 39.000 -0.039 0.000 1.156 399 F HN 0.392 nan 8.300 nan 0.000 0.483 400 L N 5.501 126.589 121.223 -0.226 0.000 2.356 400 L HA 0.637 4.982 4.340 0.008 0.000 0.264 400 L C -0.026 176.790 176.870 -0.090 0.000 1.029 400 L CA -0.967 53.745 54.840 -0.213 0.000 0.897 400 L CB 0.374 42.198 42.059 -0.391 0.000 1.256 400 L HN 0.919 nan 8.230 nan 0.000 0.444 401 R N 2.462 122.954 120.500 -0.014 0.000 2.766 401 R HA 0.515 4.860 4.340 0.008 0.000 0.270 401 R C -0.777 175.541 176.300 0.030 0.000 1.035 401 R CA -1.171 54.927 56.100 -0.004 0.000 0.911 401 R CB 0.878 31.165 30.300 -0.021 0.000 1.243 401 R HN 0.350 nan 8.270 nan 0.000 0.460 402 R N 0.179 120.693 120.500 0.023 0.000 2.481 402 R HA 0.015 4.360 4.340 0.008 0.000 0.291 402 R C 0.547 176.871 176.300 0.039 0.000 0.934 402 R CA 2.482 58.601 56.100 0.032 0.000 1.116 402 R CB -0.297 30.022 30.300 0.032 0.000 0.895 402 R HN 0.952 nan 8.270 nan 0.000 0.410 403 G N 2.883 111.711 108.800 0.046 0.000 2.284 403 G HA2 -0.226 3.738 3.960 0.008 0.000 0.230 403 G HA3 -0.226 3.738 3.960 0.008 0.000 0.230 403 G C -0.234 174.705 174.900 0.066 0.000 1.021 403 G CA 0.120 45.249 45.100 0.048 0.000 0.619 403 G HN 0.622 nan 8.290 nan 0.000 0.510 404 E N 1.684 121.936 120.200 0.088 0.000 2.383 404 E HA 0.401 4.755 4.350 0.008 0.000 0.264 404 E C 0.353 177.051 176.600 0.163 0.000 1.050 404 E CA 0.149 56.623 56.400 0.123 0.000 0.896 404 E CB 0.521 30.310 29.700 0.148 0.000 0.982 404 E HN 0.233 nan 8.360 nan 0.000 0.424 405 T N 3.120 117.762 114.554 0.147 0.000 2.834 405 T HA -0.023 4.331 4.350 0.008 0.000 0.298 405 T C 0.062 174.888 174.700 0.211 0.000 0.966 405 T CA -0.304 61.877 62.100 0.135 0.000 1.141 405 T CB 0.254 69.154 68.868 0.054 0.000 0.905 405 T HN 0.338 nan 8.240 nan 0.000 0.535 406 W N 4.767 126.099 121.300 0.053 0.000 2.368 406 W HA 0.152 4.816 4.660 0.008 0.000 0.316 406 W C -0.573 175.899 176.519 -0.077 0.000 1.375 406 W CA -0.614 56.776 57.345 0.075 0.000 1.261 406 W CB 0.302 29.789 29.460 0.046 0.000 1.298 406 W HN 0.632 nan 8.180 nan 0.000 0.539 407 Q N 3.905 123.026 119.800 -1.132 0.000 2.312 407 Q HA 0.019 4.363 4.340 0.008 0.000 0.263 407 Q C 0.881 176.037 176.000 -1.406 0.000 0.995 407 Q CA -0.428 54.638 55.803 -1.227 0.000 0.853 407 Q CB 2.486 30.419 28.738 -1.342 0.000 1.300 407 Q HN 0.638 nan 8.270 nan 0.000 0.448 408 E N 2.012 121.741 120.200 -0.785 0.000 2.265 408 E HA -0.156 4.198 4.350 0.008 0.000 0.196 408 E C 1.479 177.858 176.600 -0.369 0.000 0.996 408 E CA 1.161 57.283 56.400 -0.462 0.000 0.832 408 E CB -0.027 29.550 29.700 -0.203 0.000 0.756 408 E HN 0.955 nan 8.360 nan 0.000 0.491 409 G N -0.283 108.233 108.800 -0.473 0.000 2.498 409 G HA2 -0.210 3.755 3.960 0.008 0.000 0.219 409 G HA3 -0.210 3.755 3.960 0.008 0.000 0.219 409 G C 1.098 175.993 174.900 -0.009 0.000 1.119 409 G CA 0.180 45.127 45.100 -0.256 0.000 0.766 409 G HN 0.309 nan 8.290 nan 0.000 0.552 410 F N -0.399 119.436 119.950 -0.192 0.000 2.615 410 F HA 0.231 4.762 4.527 0.008 0.000 0.297 410 F C 1.756 177.634 175.800 0.130 0.000 1.124 410 F CA -0.339 57.628 58.000 -0.056 0.000 1.451 410 F CB 0.375 39.178 39.000 -0.328 0.000 1.103 410 F HN -0.063 nan 8.300 nan 0.000 0.569 411 R N 0.641 121.300 120.500 0.264 0.000 2.391 411 R HA 0.020 4.364 4.340 0.008 0.000 0.310 411 R C 0.159 176.690 176.300 0.384 0.000 1.174 411 R CA -0.511 55.787 56.100 0.330 0.000 1.118 411 R CB -0.050 30.439 30.300 0.314 0.000 1.134 411 R HN 0.118 nan 8.270 nan 0.000 0.524 412 W N 1.930 123.297 121.300 0.112 0.000 2.331 412 W HA -0.240 4.424 4.660 0.007 0.000 0.291 412 W C 1.704 178.265 176.519 0.068 0.000 1.214 412 W CA 1.452 58.847 57.345 0.083 0.000 1.228 412 W CB -0.312 29.201 29.460 0.089 0.000 1.135 412 W HN 0.668 nan 8.180 nan 0.000 0.537 413 E N 0.084 120.462 120.200 0.296 0.000 2.401 413 E HA -0.150 4.205 4.350 0.008 0.000 0.199 413 E C 1.366 178.047 176.600 0.136 0.000 1.023 413 E CA 1.162 57.675 56.400 0.188 0.000 0.859 413 E CB -0.722 29.067 29.700 0.148 0.000 0.780 413 E HN 0.277 nan 8.360 nan 0.000 0.523 414 L N 0.934 122.239 121.223 0.136 0.000 2.667 414 L HA 0.209 4.554 4.340 0.008 0.000 0.232 414 L C 0.883 177.784 176.870 0.051 0.000 1.138 414 L CA -0.535 54.356 54.840 0.085 0.000 0.921 414 L CB 0.432 42.539 42.059 0.080 0.000 1.180 414 L HN -0.019 nan 8.230 nan 0.000 0.487 415 S N 1.662 117.392 115.700 0.051 0.000 2.546 415 S HA 0.191 4.666 4.470 0.008 0.000 0.290 415 S C 0.133 174.730 174.600 -0.006 0.000 1.290 415 S CA -0.039 58.160 58.200 -0.001 0.000 1.069 415 S CB 0.199 63.374 63.200 -0.042 0.000 0.846 415 S HN 0.263 nan 8.310 nan 0.000 0.495 416 R N 2.807 123.295 120.500 -0.020 0.000 2.621 416 R HA 0.258 4.603 4.340 0.008 0.000 0.292 416 R C -0.431 175.854 176.300 -0.025 0.000 0.969 416 R CA -0.693 55.397 56.100 -0.015 0.000 0.887 416 R CB 1.381 31.674 30.300 -0.012 0.000 1.180 416 R HN 0.773 nan 8.270 nan 0.000 0.450 417 D N 2.594 122.982 120.400 -0.019 0.000 2.368 417 D HA 0.074 4.719 4.640 0.008 0.000 0.218 417 D C 0.610 176.900 176.300 -0.016 0.000 1.112 417 D CA -0.038 53.949 54.000 -0.021 0.000 0.834 417 D CB 0.147 40.937 40.800 -0.017 0.000 0.953 417 D HN 0.424 nan 8.370 nan 0.000 0.505 418 L N 0.000 121.214 121.223 -0.015 0.000 2.949 418 L HA 0.000 4.345 4.340 0.008 0.000 0.249 418 L CA 0.000 54.833 54.840 -0.012 0.000 0.813 418 L CB 0.000 42.054 42.059 -0.008 0.000 0.961 418 L HN 0.000 nan 8.230 nan 0.000 0.502