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 1zvu_1_A DATA FIRST_RESID 28 DATA SEQUENCE DRALPFIGDG LKPVQRRIVY AMSELGLXXX XXXXXXXRTV GDVLGKYHPH DATA SEQUENCE GDSACYEAMV LMAQPFSYRY PLVDGQGNWG APDDPKSFAA MRYTESRLSK DATA SEQUENCE YSELLLSELG QGTADWVPNF DGTLQEPKML PARLPNILLN GTTGIAVGMA DATA SEQUENCE TDIPPHNLRE VAQAAIALID QPKTTLDQLL DIVQGPDYPT EAEIITSRAE DATA SEQUENCE IRKIYENGRG SVRMRAVWKK EDGAVVISAL PHQVSGARVL EQIAAQMRNK DATA SEQUENCE KLPMVDDLRD ESDHENPTRL VIVPRSNRVD MDQVMNHLFA TTDLEKSYRI DATA SEQUENCE NLNMIGLDGR PAVKNLLEIL SEWLVFRRDT VRRRLNYRLE KVLKRLHILE DATA SEQUENCE GLLVAFLNID EVIEIIRNED EPKPALMSRF GLTETQAEAI LELKLRHLAK DATA SEQUENCE LEEMKIRGEQ SELEKERDQL QGILASERKM NNLLKKELQA DAQAYGDDRR DATA SEQUENCE SPLQEREEAK AMSEHDMLPS EPVTIVLSQM GWVRSAKGXX XXXXXXXXXX DATA SEQUENCE XXXFKAAVKG KSNQPVVFVD STGRSYAIDP ITLPSARXXX EPLTGKLTLP DATA SEQUENCE PGATVDHMLM ESDDQKLLMA SDAGYGFVCT FNDLVARNRA GKALITLPEN DATA SEQUENCE AHVMPPVVIE DASDMLLAIT QAGRMLMFPV SDLPQLSKGK GNKIINIPSA DATA SEQUENCE EAARGEDGLA QLYVLPPQST LTIHVGKRKI KLRPEELQKV TGERGRRGTL DATA SEQUENCE MRGLQRIDRV EID 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 28 D HA 0.000 nan 4.640 nan 0.000 0.175 28 D C 0.000 176.328 176.300 0.046 0.000 2.045 28 D CA 0.000 54.031 54.000 0.051 0.000 0.868 28 D CB 0.000 40.829 40.800 0.048 0.000 0.688 29 R N 0.612 121.139 120.500 0.046 0.000 2.509 29 R HA 0.610 4.972 4.340 0.038 0.000 0.297 29 R C -0.264 176.062 176.300 0.043 0.000 0.951 29 R CA 0.400 56.524 56.100 0.041 0.000 1.103 29 R CB 1.257 31.579 30.300 0.036 0.000 1.283 29 R HN 0.275 nan 8.270 nan 0.000 0.534 30 A N 1.409 124.259 122.820 0.049 0.000 2.371 30 A HA 0.474 4.816 4.320 0.038 0.000 0.257 30 A C 0.260 177.876 177.584 0.054 0.000 1.089 30 A CA -0.250 51.816 52.037 0.049 0.000 0.794 30 A CB 0.393 19.424 19.000 0.052 0.000 1.029 30 A HN 0.169 nan 8.150 nan 0.000 0.488 31 L N 2.372 123.628 121.223 0.054 0.000 2.421 31 L HA 0.418 4.781 4.340 0.038 0.000 0.263 31 L C -1.925 174.988 176.870 0.073 0.000 1.122 31 L CA -1.968 52.908 54.840 0.059 0.000 0.804 31 L CB 0.828 42.920 42.059 0.056 0.000 1.150 31 L HN 0.486 nan 8.230 nan 0.000 0.457 32 P HA 0.164 nan 4.420 nan 0.000 0.278 32 P C -0.992 176.388 177.300 0.134 0.000 1.266 32 P CA -0.448 62.706 63.100 0.090 0.000 0.807 32 P CB 0.555 32.292 31.700 0.062 0.000 1.094 33 F N 1.068 120.988 119.950 -0.049 0.000 2.384 33 F HA 0.281 4.831 4.527 0.038 0.000 0.338 33 F C 1.495 177.227 175.800 -0.114 0.000 1.103 33 F CA -0.982 56.965 58.000 -0.089 0.000 1.157 33 F CB 0.402 39.330 39.000 -0.120 0.000 1.167 33 F HN 0.275 nan 8.300 nan 0.000 0.529 34 I N 3.804 123.912 120.570 -0.770 0.000 2.394 34 I HA -0.057 4.135 4.170 0.038 0.000 0.251 34 I C 1.972 177.518 176.117 -0.952 0.000 1.136 34 I CA 1.692 62.577 61.300 -0.692 0.000 1.425 34 I CB -0.512 37.219 38.000 -0.447 0.000 1.079 34 I HN 0.829 nan 8.210 nan 0.000 0.425 35 G N 0.983 108.497 108.800 -2.142 0.000 2.453 35 G HA2 -0.309 3.674 3.960 0.038 0.000 0.215 35 G HA3 -0.309 3.674 3.960 0.038 0.000 0.215 35 G C 1.052 175.540 174.900 -0.687 0.000 1.201 35 G CA 1.301 45.168 45.100 -2.055 0.000 0.784 35 G HN 0.609 nan 8.290 nan 0.000 0.545 36 D N -1.876 118.314 120.400 -0.349 0.000 2.469 36 D HA 0.242 4.904 4.640 0.038 0.000 0.213 36 D C 1.509 177.776 176.300 -0.055 0.000 1.135 36 D CA 0.505 54.479 54.000 -0.044 0.000 0.834 36 D CB -0.510 40.340 40.800 0.082 0.000 1.009 36 D HN 0.621 nan 8.370 nan 0.000 0.507 37 G N 0.778 109.517 108.800 -0.101 0.000 2.221 37 G HA2 -0.230 3.752 3.960 0.038 0.000 0.265 37 G HA3 -0.230 3.752 3.960 0.038 0.000 0.265 37 G C -0.244 174.667 174.900 0.018 0.000 1.041 37 G CA 0.525 45.592 45.100 -0.055 0.000 0.807 37 G HN 0.409 nan 8.290 nan 0.000 0.502 38 L N -1.074 120.186 121.223 0.062 0.000 2.362 38 L HA 0.567 4.929 4.340 0.038 0.000 0.271 38 L C 0.597 177.521 176.870 0.090 0.000 1.002 38 L CA -1.173 53.710 54.840 0.072 0.000 0.818 38 L CB 1.777 43.870 42.059 0.057 0.000 1.298 38 L HN -0.004 nan 8.230 nan 0.000 0.420 39 K N 2.002 122.454 120.400 0.086 0.000 2.126 39 K HA 0.229 4.572 4.320 0.038 0.000 0.257 39 K C -1.651 174.989 176.600 0.067 0.000 1.007 39 K CA -1.492 54.843 56.287 0.079 0.000 0.928 39 K CB 0.880 33.432 32.500 0.086 0.000 1.013 39 K HN 0.231 nan 8.250 nan 0.000 0.473 40 P HA -0.234 nan 4.420 nan 0.000 0.217 40 P C 1.064 178.410 177.300 0.077 0.000 1.151 40 P CA 1.042 64.164 63.100 0.037 0.000 0.849 40 P CB 0.100 31.821 31.700 0.034 0.000 0.787 41 V N -0.587 119.402 119.914 0.126 0.000 2.270 41 V HA -0.277 3.866 4.120 0.038 0.000 0.245 41 V C 2.444 178.660 176.094 0.203 0.000 1.043 41 V CA 1.821 64.251 62.300 0.217 0.000 1.014 41 V CB -1.608 30.328 31.823 0.189 0.000 0.645 41 V HN 0.144 nan 8.190 nan 0.000 0.447 42 Q N 0.012 119.896 119.800 0.140 0.000 2.096 42 Q HA -0.252 4.111 4.340 0.038 0.000 0.204 42 Q C 2.473 178.530 176.000 0.095 0.000 0.982 42 Q CA 2.023 57.898 55.803 0.120 0.000 0.850 42 Q CB -0.330 28.471 28.738 0.106 0.000 0.901 42 Q HN 0.560 nan 8.270 nan 0.000 0.422 43 R N 0.921 121.461 120.500 0.067 0.000 2.083 43 R HA -0.158 4.205 4.340 0.038 0.000 0.237 43 R C 2.235 178.557 176.300 0.037 0.000 1.137 43 R CA 1.592 57.707 56.100 0.026 0.000 0.951 43 R CB 0.027 30.315 30.300 -0.021 0.000 0.851 43 R HN 0.132 nan 8.270 nan 0.000 0.434 44 R N -0.004 120.522 120.500 0.043 0.000 2.083 44 R HA -0.127 4.235 4.340 0.038 0.000 0.237 44 R C 2.385 178.749 176.300 0.107 0.000 1.137 44 R CA 1.964 58.076 56.100 0.019 0.000 0.951 44 R CB -0.489 29.709 30.300 -0.170 0.000 0.851 44 R HN 0.307 nan 8.270 nan 0.000 0.434 45 I N 0.245 120.946 120.570 0.217 0.000 2.208 45 I HA -0.274 3.919 4.170 0.038 0.000 0.245 45 I C 2.300 178.470 176.117 0.088 0.000 1.097 45 I CA 1.181 62.587 61.300 0.176 0.000 1.363 45 I CB -0.287 37.796 38.000 0.138 0.000 1.051 45 I HN -0.014 nan 8.210 nan 0.000 0.413 46 V N 0.014 119.973 119.914 0.075 0.000 2.307 46 V HA -0.305 3.838 4.120 0.038 0.000 0.245 46 V C 2.297 178.421 176.094 0.049 0.000 1.045 46 V CA 1.900 64.234 62.300 0.055 0.000 1.024 46 V CB -0.751 31.101 31.823 0.048 0.000 0.651 46 V HN 0.399 nan 8.190 nan 0.000 0.449 47 Y N 1.587 121.825 120.300 -0.103 0.000 2.181 47 Y HA -0.184 4.387 4.550 0.034 0.000 0.288 47 Y C 2.396 178.153 175.900 -0.238 0.000 1.146 47 Y CA 1.251 59.244 58.100 -0.179 0.000 1.164 47 Y CB -0.753 37.542 38.460 -0.275 0.000 0.982 47 Y HN 0.148 nan 8.280 nan 0.000 0.515 48 A N 0.246 122.843 122.820 -0.371 0.000 1.986 48 A HA -0.248 4.094 4.320 0.038 0.000 0.220 48 A C 2.154 179.661 177.584 -0.127 0.000 1.171 48 A CA 2.341 54.199 52.037 -0.299 0.000 0.640 48 A CB -0.795 18.246 19.000 0.069 0.000 0.811 48 A HN 0.612 nan 8.150 nan 0.000 0.451 49 M N 0.264 119.829 119.600 -0.059 0.000 2.502 49 M HA 0.051 4.553 4.480 0.038 0.000 0.243 49 M C 1.046 177.360 176.300 0.023 0.000 1.130 49 M CA 0.320 55.647 55.300 0.044 0.000 1.055 49 M CB 0.029 32.685 32.600 0.094 0.000 1.457 49 M HN 0.472 nan 8.290 nan 0.000 0.488 50 S N 0.404 116.061 115.700 -0.072 0.000 2.580 50 S HA 0.053 4.545 4.470 0.038 0.000 0.266 50 S C 0.849 175.434 174.600 -0.025 0.000 1.354 50 S CA -0.389 57.788 58.200 -0.039 0.000 1.008 50 S CB 0.770 63.945 63.200 -0.041 0.000 0.898 50 S HN 0.348 nan 8.310 nan 0.000 0.555 51 E N 0.460 120.674 120.200 0.023 0.000 2.114 51 E HA -0.175 4.198 4.350 0.038 0.000 0.199 51 E C 0.815 177.425 176.600 0.016 0.000 1.008 51 E CA 1.462 57.885 56.400 0.038 0.000 0.810 51 E CB -0.576 29.156 29.700 0.052 0.000 0.739 51 E HN 0.601 nan 8.360 nan 0.000 0.456 52 L N 0.623 121.843 121.223 -0.004 0.000 2.855 52 L HA 0.135 4.498 4.340 0.038 0.000 0.245 52 L C 1.088 177.832 176.870 -0.211 0.000 1.276 52 L CA -0.306 54.528 54.840 -0.011 0.000 1.118 52 L CB -0.038 42.133 42.059 0.188 0.000 1.444 52 L HN 0.041 nan 8.230 nan 0.000 0.440 53 G N 0.090 108.798 108.800 -0.152 0.000 4.125 53 G HA2 0.475 4.458 3.960 0.038 0.000 0.301 53 G HA3 0.475 4.458 3.960 0.038 0.000 0.301 53 G C -0.340 174.573 174.900 0.020 0.000 1.273 53 G CA -0.028 45.038 45.100 -0.056 0.000 1.095 53 G HN 0.083 nan 8.290 nan 0.000 0.582 66 T N -0.959 113.619 114.554 0.041 0.000 2.591 66 T HA 0.408 4.780 4.350 0.038 0.000 0.274 66 T C 0.540 175.292 174.700 0.086 0.000 0.945 66 T CA -0.368 61.784 62.100 0.087 0.000 1.087 66 T CB 1.960 70.872 68.868 0.073 0.000 1.416 66 T HN -0.140 nan 8.240 nan 0.000 0.514 67 V N 0.696 120.662 119.914 0.086 0.000 2.500 67 V HA 0.187 4.329 4.120 0.038 0.000 0.243 67 V C 2.720 178.827 176.094 0.022 0.000 1.039 67 V CA 1.997 64.323 62.300 0.043 0.000 1.053 67 V CB -0.903 30.898 31.823 -0.038 0.000 0.695 67 V HN 0.983 nan 8.190 nan 0.000 0.463 68 G N 0.026 108.902 108.800 0.126 0.000 2.440 68 G HA2 -0.278 3.704 3.960 0.038 0.000 0.218 68 G HA3 -0.278 3.704 3.960 0.038 0.000 0.218 68 G C 1.197 176.163 174.900 0.110 0.000 1.154 68 G CA 1.164 46.369 45.100 0.175 0.000 0.767 68 G HN 0.484 nan 8.290 nan 0.000 0.552 69 D N 0.133 120.574 120.400 0.067 0.000 2.123 69 D HA -0.103 4.560 4.640 0.038 0.000 0.196 69 D C 2.742 179.036 176.300 -0.010 0.000 0.992 69 D CA 0.917 54.932 54.000 0.024 0.000 0.833 69 D CB -0.417 40.373 40.800 -0.016 0.000 0.954 69 D HN 0.246 nan 8.370 nan 0.000 0.455 70 V N 0.734 120.617 119.914 -0.050 0.000 2.283 70 V HA -0.146 3.997 4.120 0.038 0.000 0.243 70 V C 2.626 178.766 176.094 0.078 0.000 1.039 70 V CA 1.000 63.263 62.300 -0.062 0.000 1.016 70 V CB -0.397 31.334 31.823 -0.154 0.000 0.650 70 V HN 0.172 nan 8.190 nan 0.000 0.449 71 L N 0.504 121.774 121.223 0.078 0.000 2.141 71 L HA -0.027 4.335 4.340 0.038 0.000 0.209 71 L C 2.505 179.495 176.870 0.200 0.000 1.094 71 L CA 1.469 56.407 54.840 0.163 0.000 0.763 71 L CB -0.991 41.100 42.059 0.053 0.000 0.908 71 L HN 0.501 nan 8.230 nan 0.000 0.437 72 G N -0.694 108.186 108.800 0.135 0.000 2.559 72 G HA2 -0.200 3.783 3.960 0.038 0.000 0.216 72 G HA3 -0.200 3.783 3.960 0.038 0.000 0.216 72 G C 1.688 176.654 174.900 0.110 0.000 1.126 72 G CA 0.139 45.309 45.100 0.117 0.000 0.778 72 G HN 0.171 nan 8.290 nan 0.000 0.543 73 K N -0.659 119.791 120.400 0.084 0.000 2.228 73 K HA 0.034 4.377 4.320 0.038 0.000 0.202 73 K C 0.688 177.152 176.600 -0.227 0.000 1.051 73 K CA 0.681 56.917 56.287 -0.086 0.000 0.960 73 K CB 0.065 32.458 32.500 -0.178 0.000 0.743 73 K HN 0.530 nan 8.250 nan 0.000 0.458 74 Y N -1.652 118.749 120.300 0.168 0.000 2.563 74 Y HA 0.236 4.806 4.550 0.033 0.000 0.250 74 Y C 0.100 175.799 175.900 -0.335 0.000 1.126 74 Y CA -0.562 57.620 58.100 0.138 0.000 1.231 74 Y CB 0.735 39.249 38.460 0.091 0.000 1.288 74 Y HN -0.084 nan 8.280 nan 0.000 0.537 75 H N 0.139 118.981 119.070 -0.380 0.000 2.637 75 H HA 0.344 4.918 4.556 0.032 0.000 0.363 75 H C -2.680 172.010 175.328 -1.062 0.000 1.131 75 H CA -2.341 53.342 56.048 -0.608 0.000 1.183 75 H CB 2.334 31.994 29.762 -0.170 0.000 1.637 75 H HN -0.144 nan 8.280 nan 0.000 0.531 76 P HA -0.058 nan 4.420 nan 0.000 0.267 76 P C 0.199 177.477 177.300 -0.037 0.000 1.200 76 P CA 0.243 63.156 63.100 -0.312 0.000 0.772 76 P CB 0.363 32.055 31.700 -0.015 0.000 0.855 77 H N 2.658 121.738 119.070 0.017 0.000 2.964 77 H HA 0.041 4.617 4.556 0.034 0.000 0.328 77 H C 1.466 176.820 175.328 0.042 0.000 1.030 77 H CA 1.714 57.794 56.048 0.053 0.000 1.445 77 H CB -0.189 29.617 29.762 0.073 0.000 1.449 77 H HN 0.810 nan 8.280 nan 0.000 0.581 78 G N 4.434 112.898 108.800 -0.559 0.000 2.180 78 G HA2 -0.341 3.642 3.960 0.038 0.000 0.263 78 G HA3 -0.341 3.642 3.960 0.038 0.000 0.263 78 G C 0.246 175.069 174.900 -0.128 0.000 0.989 78 G CA 0.791 45.672 45.100 -0.365 0.000 0.692 78 G HN 0.918 nan 8.290 nan 0.000 0.526 79 D N -0.236 120.133 120.400 -0.051 0.000 2.493 79 D HA 0.385 5.048 4.640 0.038 0.000 0.240 79 D C 1.427 177.738 176.300 0.020 0.000 1.142 79 D CA 0.870 54.872 54.000 0.003 0.000 0.872 79 D CB 0.708 41.522 40.800 0.023 0.000 1.173 79 D HN -0.007 nan 8.370 nan 0.000 0.467 80 S N 2.531 118.247 115.700 0.027 0.000 2.357 80 S HA -0.067 4.426 4.470 0.038 0.000 0.221 80 S C 1.909 176.569 174.600 0.100 0.000 1.031 80 S CA 0.951 59.180 58.200 0.047 0.000 0.982 80 S CB -0.345 62.868 63.200 0.022 0.000 0.853 80 S HN 0.647 nan 8.310 nan 0.000 0.458 81 A N 0.225 123.090 122.820 0.074 0.000 1.933 81 A HA -0.156 4.186 4.320 0.038 0.000 0.218 81 A C 2.520 180.139 177.584 0.058 0.000 1.175 81 A CA 1.725 53.807 52.037 0.075 0.000 0.628 81 A CB -1.501 17.545 19.000 0.076 0.000 0.814 81 A HN 0.739 nan 8.150 nan 0.000 0.444 82 C N -1.599 117.698 119.300 -0.006 0.000 2.413 82 C HA -0.174 4.309 4.460 0.038 0.000 0.276 82 C C 2.437 177.450 174.990 0.039 0.000 1.248 82 C CA 1.425 60.341 59.018 -0.169 0.000 1.742 82 C CB -1.498 25.888 27.740 -0.589 0.000 2.017 82 C HN 0.677 nan 8.230 nan 0.000 0.481 83 Y N 1.663 121.992 120.300 0.048 0.000 2.097 83 Y HA -0.148 4.422 4.550 0.033 0.000 0.282 83 Y C 2.417 178.402 175.900 0.142 0.000 1.152 83 Y CA 2.566 60.755 58.100 0.148 0.000 1.136 83 Y CB -0.634 37.803 38.460 -0.038 0.000 0.975 83 Y HN 0.442 nan 8.280 nan 0.000 0.498 84 E N -0.132 120.154 120.200 0.142 0.000 2.058 84 E HA -0.231 4.142 4.350 0.038 0.000 0.194 84 E C 2.323 178.912 176.600 -0.019 0.000 0.997 84 E CA 1.271 57.697 56.400 0.044 0.000 0.801 84 E CB -0.403 29.353 29.700 0.094 0.000 0.746 84 E HN 0.579 nan 8.360 nan 0.000 0.450 85 A N 0.515 123.344 122.820 0.016 0.000 1.972 85 A HA -0.192 4.151 4.320 0.038 0.000 0.219 85 A C 2.056 179.641 177.584 0.002 0.000 1.169 85 A CA 1.421 53.471 52.037 0.023 0.000 0.635 85 A CB -0.347 18.686 19.000 0.055 0.000 0.810 85 A HN 0.199 nan 8.150 nan 0.000 0.446 86 M N -0.286 119.303 119.600 -0.019 0.000 2.123 86 M HA -0.024 4.479 4.480 0.038 0.000 0.263 86 M C 1.956 178.191 176.300 -0.108 0.000 1.069 86 M CA 1.612 56.887 55.300 -0.043 0.000 1.133 86 M CB -0.817 31.773 32.600 -0.017 0.000 1.356 86 M HN 0.099 nan 8.290 nan 0.000 0.415 87 V N 0.346 120.185 119.914 -0.125 0.000 2.282 87 V HA -0.291 3.851 4.120 0.038 0.000 0.249 87 V C 2.447 178.425 176.094 -0.194 0.000 1.057 87 V CA 1.871 64.075 62.300 -0.160 0.000 1.032 87 V CB -0.992 30.700 31.823 -0.220 0.000 0.645 87 V HN 0.513 nan 8.190 nan 0.000 0.447 88 L N -0.792 120.342 121.223 -0.148 0.000 2.013 88 L HA -0.243 4.119 4.340 0.038 0.000 0.212 88 L C 2.360 179.115 176.870 -0.192 0.000 1.073 88 L CA 2.198 56.937 54.840 -0.169 0.000 0.753 88 L CB -0.507 41.459 42.059 -0.155 0.000 0.890 88 L HN 0.264 nan 8.230 nan 0.000 0.432 89 M N -1.850 117.696 119.600 -0.091 0.000 2.358 89 M HA -0.154 4.348 4.480 0.038 0.000 0.264 89 M C 1.918 178.149 176.300 -0.114 0.000 1.064 89 M CA 1.437 56.778 55.300 0.069 0.000 1.093 89 M CB -0.390 32.283 32.600 0.122 0.000 1.401 89 M HN 0.388 nan 8.290 nan 0.000 0.440 90 A N -0.702 121.897 122.820 -0.368 0.000 2.218 90 A HA 0.067 4.409 4.320 0.038 0.000 0.209 90 A C 0.753 178.090 177.584 -0.412 0.000 1.168 90 A CA 0.303 51.958 52.037 -0.637 0.000 0.804 90 A CB -0.046 18.024 19.000 -1.550 0.000 0.834 90 A HN 0.388 nan 8.150 nan 0.000 0.482 91 Q N 0.185 119.839 119.800 -0.244 0.000 2.274 91 Q HA 0.457 4.819 4.340 0.038 0.000 0.260 91 Q C -2.610 173.363 176.000 -0.045 0.000 0.974 91 Q CA -2.157 53.564 55.803 -0.136 0.000 0.876 91 Q CB 1.954 30.624 28.738 -0.114 0.000 1.297 91 Q HN 0.172 nan 8.270 nan 0.000 0.446 92 P HA 0.196 nan 4.420 nan 0.000 0.276 92 P C -0.669 176.773 177.300 0.238 0.000 1.261 92 P CA -0.307 62.858 63.100 0.109 0.000 0.800 92 P CB 0.380 32.138 31.700 0.097 0.000 1.066 93 F N -1.978 117.962 119.950 -0.017 0.000 2.973 93 F HA -0.261 4.287 4.527 0.036 0.000 0.299 93 F C 1.487 177.293 175.800 0.011 0.000 0.737 93 F CA 1.398 59.404 58.000 0.011 0.000 1.151 93 F CB -2.593 36.401 39.000 -0.010 0.000 1.440 93 F HN 0.149 nan 8.300 nan 0.000 0.367 94 S N -2.691 113.057 115.700 0.081 0.000 2.452 94 S HA 0.179 4.672 4.470 0.038 0.000 0.225 94 S C 0.048 174.547 174.600 -0.169 0.000 1.057 94 S CA 0.550 58.689 58.200 -0.102 0.000 0.949 94 S CB 0.339 63.379 63.200 -0.267 0.000 0.836 94 S HN 0.209 nan 8.310 nan 0.000 0.518 95 Y N 0.738 121.041 120.300 0.004 0.000 2.468 95 Y HA 0.576 5.148 4.550 0.035 0.000 0.342 95 Y C 0.934 176.739 175.900 -0.157 0.000 1.021 95 Y CA -1.561 56.503 58.100 -0.059 0.000 1.079 95 Y CB 1.138 39.559 38.460 -0.065 0.000 1.226 95 Y HN -0.148 nan 8.280 nan 0.000 0.460 96 R N 0.907 121.374 120.500 -0.054 0.000 2.119 96 R HA 0.041 4.404 4.340 0.038 0.000 0.222 96 R C -1.011 174.844 176.300 -0.742 0.000 1.088 96 R CA 1.405 57.267 56.100 -0.398 0.000 0.984 96 R CB -0.117 29.929 30.300 -0.424 0.000 0.884 96 R HN 0.651 nan 8.270 nan 0.000 0.447 97 Y N 0.067 120.189 120.300 -0.298 0.000 2.628 97 Y HA 0.415 4.987 4.550 0.037 0.000 0.354 97 Y C -2.276 173.288 175.900 -0.560 0.000 1.061 97 Y CA -3.293 54.449 58.100 -0.596 0.000 1.251 97 Y CB 1.331 39.025 38.460 -1.276 0.000 1.098 97 Y HN -0.017 nan 8.280 nan 0.000 0.626 98 P HA 0.037 nan 4.420 nan 0.000 0.265 98 P C 0.492 177.769 177.300 -0.038 0.000 1.187 98 P CA 0.383 63.466 63.100 -0.029 0.000 0.766 98 P CB 0.962 32.698 31.700 0.059 0.000 0.820 99 L N 1.720 122.900 121.223 -0.072 0.000 2.567 99 L HA 0.164 4.526 4.340 0.038 0.000 0.225 99 L C 0.516 177.412 176.870 0.044 0.000 1.119 99 L CA 0.324 55.176 54.840 0.020 0.000 0.871 99 L CB 0.072 42.088 42.059 -0.072 0.000 1.036 99 L HN 0.136 nan 8.230 nan 0.000 0.459 100 V N -0.840 119.093 119.914 0.032 0.000 2.888 100 V HA 0.271 4.413 4.120 0.038 0.000 0.309 100 V C -1.234 174.866 176.094 0.009 0.000 1.114 100 V CA -0.896 61.415 62.300 0.019 0.000 0.940 100 V CB 2.831 34.639 31.823 -0.024 0.000 1.021 100 V HN -0.047 nan 8.190 nan 0.000 0.426 101 D N 3.548 123.962 120.400 0.023 0.000 2.347 101 D HA 0.399 5.062 4.640 0.038 0.000 0.235 101 D C 0.354 176.659 176.300 0.008 0.000 1.149 101 D CA 0.218 54.231 54.000 0.022 0.000 0.850 101 D CB 1.965 42.793 40.800 0.045 0.000 1.061 101 D HN 0.719 nan 8.370 nan 0.000 0.487 102 G N 1.773 110.537 108.800 -0.060 0.000 2.395 102 G HA2 0.429 4.411 3.960 0.038 0.000 0.283 102 G HA3 0.429 4.411 3.960 0.038 0.000 0.283 102 G C -0.417 174.549 174.900 0.110 0.000 1.178 102 G CA -0.474 44.555 45.100 -0.118 0.000 0.837 102 G HN 0.343 nan 8.290 nan 0.000 0.518 103 Q N 0.476 120.526 119.800 0.416 0.000 2.444 103 Q HA 0.574 4.937 4.340 0.038 0.000 0.251 103 Q C 0.074 176.362 176.000 0.480 0.000 0.939 103 Q CA -0.006 56.006 55.803 0.349 0.000 0.740 103 Q CB 2.037 30.905 28.738 0.215 0.000 1.308 103 Q HN 1.278 nan 8.270 nan 0.000 0.461 104 G N 1.486 110.520 108.800 0.389 0.000 2.331 104 G HA2 -0.178 3.804 3.960 0.038 0.000 0.402 104 G HA3 -0.178 3.804 3.960 0.038 0.000 0.402 104 G C -0.372 174.771 174.900 0.406 0.000 1.275 104 G CA -0.420 44.845 45.100 0.275 0.000 1.003 104 G HN 0.447 nan 8.290 nan 0.000 0.500 105 N N -1.463 117.379 118.700 0.236 0.000 2.290 105 N HA 0.039 4.801 4.740 0.038 0.000 0.179 105 N C 1.294 177.026 175.510 0.371 0.000 1.016 105 N CA 1.697 54.889 53.050 0.236 0.000 0.871 105 N CB -0.229 38.326 38.487 0.112 0.000 0.987 105 N HN 0.848 nan 8.380 nan 0.000 0.431 106 W N -0.660 120.676 121.300 0.061 0.000 3.904 106 W HA -0.181 4.497 4.660 0.030 0.000 0.312 106 W C 0.584 177.153 176.519 0.084 0.000 1.159 106 W CA 0.819 58.216 57.345 0.086 0.000 0.704 106 W CB -1.761 27.737 29.460 0.064 0.000 2.209 106 W HN 0.404 nan 8.180 nan 0.000 1.468 107 G N -1.693 107.243 108.800 0.228 0.000 3.444 107 G HA2 0.421 4.403 3.960 0.038 0.000 0.685 107 G HA3 0.421 4.403 3.960 0.038 0.000 0.685 107 G C 0.700 175.688 174.900 0.148 0.000 1.145 107 G CA -0.034 45.178 45.100 0.187 0.000 0.973 107 G HN 1.132 nan 8.290 nan 0.000 0.525 108 A N 3.569 126.446 122.820 0.097 0.000 1.901 108 A HA 0.043 4.385 4.320 0.038 0.000 0.227 108 A C 0.763 178.387 177.584 0.067 0.000 1.551 108 A CA 3.352 55.430 52.037 0.068 0.000 0.769 108 A CB -1.528 17.498 19.000 0.043 0.000 0.845 108 A HN 1.151 nan 8.150 nan 0.000 0.481 109 P HA 0.344 nan 4.420 nan 0.000 0.318 109 P C -0.607 176.748 177.300 0.093 0.000 1.315 109 P CA -0.311 62.825 63.100 0.059 0.000 0.821 109 P CB 0.230 31.953 31.700 0.038 0.000 2.031 110 D N -0.065 120.386 120.400 0.084 0.000 2.413 110 D HA 0.132 4.794 4.640 0.038 0.000 0.237 110 D C -0.069 176.318 176.300 0.146 0.000 1.171 110 D CA 0.450 54.528 54.000 0.130 0.000 0.839 110 D CB -0.140 40.709 40.800 0.083 0.000 0.950 110 D HN 0.158 nan 8.370 nan 0.000 0.499 111 D N 0.320 120.789 120.400 0.115 0.000 2.539 111 D HA 0.293 4.955 4.640 0.038 0.000 0.280 111 D C -2.133 174.174 176.300 0.012 0.000 1.208 111 D CA -1.240 52.780 54.000 0.034 0.000 1.088 111 D CB 0.848 41.651 40.800 0.006 0.000 1.149 111 D HN -0.016 nan 8.370 nan 0.000 0.596 112 P HA 0.299 nan 4.420 nan 0.000 0.286 112 P C -0.967 176.296 177.300 -0.063 0.000 1.261 112 P CA -0.325 62.601 63.100 -0.291 0.000 0.821 112 P CB 1.275 32.790 31.700 -0.308 0.000 1.013 113 K N 0.996 121.389 120.400 -0.012 0.000 2.615 113 K HA 0.259 4.601 4.320 0.038 0.000 0.249 113 K C -0.700 175.847 176.600 -0.088 0.000 0.977 113 K CA -0.453 55.841 56.287 0.011 0.000 0.833 113 K CB 1.569 34.134 32.500 0.108 0.000 1.208 113 K HN 0.359 nan 8.250 nan 0.000 0.443 114 S N 3.177 118.804 115.700 -0.121 0.000 2.544 114 S HA 0.050 4.543 4.470 0.038 0.000 0.290 114 S C 0.894 175.484 174.600 -0.017 0.000 1.276 114 S CA -0.179 57.940 58.200 -0.134 0.000 1.075 114 S CB 0.082 63.244 63.200 -0.063 0.000 0.849 114 S HN 0.426 nan 8.310 nan 0.000 0.494 115 F N 3.153 123.133 119.950 0.050 0.000 2.699 115 F HA 0.147 4.694 4.527 0.033 0.000 0.298 115 F C 2.113 177.916 175.800 0.005 0.000 1.154 115 F CA 0.266 58.280 58.000 0.022 0.000 1.457 115 F CB -1.025 38.014 39.000 0.065 0.000 1.106 115 F HN 0.714 nan 8.300 nan 0.000 0.585 116 A N -0.575 122.345 122.820 0.167 0.000 2.178 116 A HA 0.387 4.730 4.320 0.038 0.000 0.211 116 A C 2.193 179.815 177.584 0.064 0.000 1.157 116 A CA 0.894 52.996 52.037 0.110 0.000 0.780 116 A CB -0.617 18.441 19.000 0.098 0.000 0.828 116 A HN 0.180 nan 8.150 nan 0.000 0.476 117 A N -1.070 121.777 122.820 0.044 0.000 2.238 117 A HA 0.502 4.844 4.320 0.038 0.000 0.210 117 A C 0.826 178.401 177.584 -0.016 0.000 1.179 117 A CA 0.067 52.109 52.037 0.008 0.000 0.827 117 A CB -0.195 18.800 19.000 -0.010 0.000 0.856 117 A HN 0.454 nan 8.150 nan 0.000 0.488 118 M N 0.612 120.206 119.600 -0.011 0.000 2.205 118 M HA 0.339 4.842 4.480 0.038 0.000 0.344 118 M C -0.134 176.153 176.300 -0.021 0.000 1.085 118 M CA -0.353 54.899 55.300 -0.079 0.000 1.001 118 M CB 1.666 34.148 32.600 -0.198 0.000 1.626 118 M HN 0.154 nan 8.290 nan 0.000 0.442 119 R N 0.856 121.346 120.500 -0.017 0.000 2.643 119 R HA -0.016 4.347 4.340 0.038 0.000 0.270 119 R C 0.774 177.130 176.300 0.093 0.000 1.061 119 R CA 0.017 56.143 56.100 0.042 0.000 1.107 119 R CB 0.463 30.779 30.300 0.026 0.000 0.999 119 R HN 0.591 nan 8.270 nan 0.000 0.460 120 Y N 2.475 122.776 120.300 0.000 0.000 2.241 120 Y HA -0.272 4.301 4.550 0.038 0.000 0.286 120 Y C 1.661 177.578 175.900 0.028 0.000 1.166 120 Y CA 2.202 60.311 58.100 0.015 0.000 1.203 120 Y CB -0.450 38.024 38.460 0.024 0.000 0.977 120 Y HN 0.621 nan 8.280 nan 0.000 0.529 121 T N 0.482 114.981 114.554 -0.092 0.000 2.759 121 T HA -0.233 4.140 4.350 0.038 0.000 0.269 121 T C 1.512 176.168 174.700 -0.073 0.000 1.042 121 T CA 1.917 63.917 62.100 -0.167 0.000 1.140 121 T CB -0.259 68.563 68.868 -0.077 0.000 0.864 121 T HN 0.508 nan 8.240 nan 0.000 0.455 122 E N 0.730 120.927 120.200 -0.005 0.000 2.409 122 E HA 0.054 4.427 4.350 0.038 0.000 0.198 122 E C 0.735 177.465 176.600 0.217 0.000 1.024 122 E CA 0.126 56.561 56.400 0.058 0.000 0.861 122 E CB 0.156 29.833 29.700 -0.039 0.000 0.788 122 E HN 0.155 nan 8.360 nan 0.000 0.521 123 S N 0.107 115.923 115.700 0.194 0.000 2.473 123 S HA 0.519 5.012 4.470 0.038 0.000 0.307 123 S C -0.919 173.748 174.600 0.112 0.000 1.094 123 S CA -0.748 57.622 58.200 0.284 0.000 1.070 123 S CB 0.714 64.142 63.200 0.380 0.000 1.019 123 S HN 0.004 nan 8.310 nan 0.000 0.480 124 R N 2.519 123.076 120.500 0.095 0.000 2.604 124 R HA 0.446 4.808 4.340 0.038 0.000 0.281 124 R C -1.622 174.712 176.300 0.057 0.000 1.020 124 R CA -0.907 55.220 56.100 0.045 0.000 0.899 124 R CB 1.330 31.644 30.300 0.024 0.000 1.205 124 R HN 0.442 nan 8.270 nan 0.000 0.450 125 L N 2.414 123.672 121.223 0.058 0.000 2.410 125 L HA 0.162 4.524 4.340 0.038 0.000 0.273 125 L C 0.337 177.249 176.870 0.070 0.000 1.152 125 L CA 0.552 55.429 54.840 0.062 0.000 0.855 125 L CB 1.088 43.184 42.059 0.062 0.000 1.129 125 L HN 0.778 nan 8.230 nan 0.000 0.463 126 S N 3.795 119.547 115.700 0.086 0.000 2.593 126 S HA 0.194 4.687 4.470 0.038 0.000 0.269 126 S C 1.108 175.797 174.600 0.149 0.000 1.334 126 S CA -0.456 57.814 58.200 0.115 0.000 1.015 126 S CB 0.699 63.980 63.200 0.134 0.000 0.912 126 S HN 0.628 nan 8.310 nan 0.000 0.541 127 K N 0.257 120.757 120.400 0.166 0.000 2.103 127 K HA -0.179 4.164 4.320 0.038 0.000 0.207 127 K C 1.769 178.557 176.600 0.313 0.000 1.048 127 K CA 1.759 58.168 56.287 0.202 0.000 0.930 127 K CB -0.544 32.051 32.500 0.158 0.000 0.716 127 K HN 0.803 nan 8.250 nan 0.000 0.444 128 Y N 1.988 122.406 120.300 0.196 0.000 2.193 128 Y HA -0.297 4.275 4.550 0.036 0.000 0.285 128 Y C 2.334 178.234 175.900 -0.000 0.000 1.166 128 Y CA 1.604 59.792 58.100 0.146 0.000 1.181 128 Y CB -0.287 38.238 38.460 0.109 0.000 0.976 128 Y HN -0.031 nan 8.280 nan 0.000 0.520 129 S N 0.229 115.975 115.700 0.077 0.000 2.402 129 S HA -0.270 4.223 4.470 0.038 0.000 0.233 129 S C 1.668 176.197 174.600 -0.119 0.000 1.030 129 S CA 1.593 59.774 58.200 -0.032 0.000 1.003 129 S CB -0.366 62.862 63.200 0.047 0.000 0.813 129 S HN 0.629 nan 8.310 nan 0.000 0.477 130 E N 0.469 120.630 120.200 -0.066 0.000 2.171 130 E HA -0.177 4.195 4.350 0.038 0.000 0.197 130 E C 1.729 178.201 176.600 -0.212 0.000 0.997 130 E CA 0.791 57.157 56.400 -0.057 0.000 0.810 130 E CB -0.211 29.550 29.700 0.103 0.000 0.738 130 E HN 0.260 nan 8.360 nan 0.000 0.467 131 L N 0.079 121.018 121.223 -0.474 0.000 2.079 131 L HA -0.190 4.173 4.340 0.038 0.000 0.210 131 L C 2.040 178.742 176.870 -0.279 0.000 1.081 131 L CA 1.639 56.160 54.840 -0.531 0.000 0.752 131 L CB -0.479 41.070 42.059 -0.849 0.000 0.896 131 L HN 0.204 nan 8.230 nan 0.000 0.433 132 L N -2.672 118.419 121.223 -0.220 0.000 2.416 132 L HA -0.032 4.331 4.340 0.038 0.000 0.216 132 L C 1.573 178.421 176.870 -0.037 0.000 1.098 132 L CA -0.035 54.746 54.840 -0.098 0.000 0.840 132 L CB -0.012 42.001 42.059 -0.078 0.000 0.981 132 L HN 0.149 nan 8.230 nan 0.000 0.462 133 L N -1.475 119.728 121.223 -0.034 0.000 2.717 133 L HA 0.123 4.486 4.340 0.038 0.000 0.239 133 L C 2.538 179.422 176.870 0.022 0.000 1.086 133 L CA 0.946 55.798 54.840 0.019 0.000 0.897 133 L CB -0.174 41.909 42.059 0.040 0.000 1.214 133 L HN 0.138 nan 8.230 nan 0.000 0.508 134 S N -0.139 115.558 115.700 -0.005 0.000 2.392 134 S HA -0.235 4.258 4.470 0.038 0.000 0.232 134 S C 1.276 175.878 174.600 0.004 0.000 1.041 134 S CA 1.576 59.779 58.200 0.005 0.000 1.026 134 S CB -0.435 62.761 63.200 -0.006 0.000 0.845 134 S HN 0.576 nan 8.310 nan 0.000 0.465 135 E N 0.164 120.357 120.200 -0.012 0.000 2.437 135 E HA 0.302 4.675 4.350 0.038 0.000 0.195 135 E C 0.919 177.498 176.600 -0.034 0.000 1.029 135 E CA -0.282 56.098 56.400 -0.033 0.000 0.948 135 E CB 0.161 29.830 29.700 -0.051 0.000 1.082 135 E HN 0.282 nan 8.360 nan 0.000 0.456 136 L N 0.227 121.462 121.223 0.020 0.000 2.109 136 L HA 0.038 4.400 4.340 0.038 0.000 0.207 136 L C 1.966 178.886 176.870 0.083 0.000 1.086 136 L CA 1.506 56.400 54.840 0.089 0.000 0.760 136 L CB -0.205 41.964 42.059 0.184 0.000 0.910 136 L HN 0.182 nan 8.230 nan 0.000 0.437 137 G N -1.627 107.170 108.800 -0.005 0.000 3.262 137 G HA2 0.004 3.986 3.960 0.038 0.000 0.228 137 G HA3 0.004 3.986 3.960 0.038 0.000 0.228 137 G C 0.703 175.351 174.900 -0.421 0.000 1.197 137 G CA -0.167 44.879 45.100 -0.089 0.000 0.819 137 G HN 0.461 nan 8.290 nan 0.000 0.531 138 Q N -0.149 119.317 119.800 -0.556 0.000 2.182 138 Q HA 0.341 4.704 4.340 0.038 0.000 0.305 138 Q C 1.117 176.531 176.000 -0.977 0.000 0.880 138 Q CA -0.085 55.050 55.803 -1.113 0.000 1.131 138 Q CB 1.012 29.505 28.738 -0.407 0.000 1.237 138 Q HN 0.325 nan 8.270 nan 0.000 0.447 139 G N 1.449 109.826 108.800 -0.705 0.000 2.249 139 G HA2 -0.333 3.650 3.960 0.038 0.000 0.273 139 G HA3 -0.333 3.650 3.960 0.038 0.000 0.273 139 G C 0.677 175.549 174.900 -0.048 0.000 1.036 139 G CA 1.010 46.029 45.100 -0.135 0.000 0.824 139 G HN 0.500 nan 8.290 nan 0.000 0.504 140 T N -4.139 110.375 114.554 -0.067 0.000 3.054 140 T HA 0.713 5.085 4.350 0.038 0.000 0.255 140 T C 0.853 175.516 174.700 -0.062 0.000 1.035 140 T CA 1.225 63.278 62.100 -0.078 0.000 0.941 140 T CB 0.861 69.664 68.868 -0.109 0.000 1.026 140 T HN 1.711 nan 8.240 nan 0.000 0.533 141 A N 0.750 123.562 122.820 -0.013 0.000 2.498 141 A HA 0.679 5.022 4.320 0.038 0.000 0.298 141 A C -1.420 176.100 177.584 -0.108 0.000 1.075 141 A CA -0.880 51.072 52.037 -0.142 0.000 0.714 141 A CB 1.299 20.066 19.000 -0.389 0.000 1.299 141 A HN 0.238 nan 8.150 nan 0.000 0.407 142 D N 0.198 120.483 120.400 -0.191 0.000 2.210 142 D HA 0.432 5.094 4.640 0.038 0.000 0.249 142 D C -1.270 174.875 176.300 -0.259 0.000 1.062 142 D CA 0.675 54.628 54.000 -0.078 0.000 0.891 142 D CB 0.968 41.730 40.800 -0.062 0.000 1.186 142 D HN 0.471 nan 8.370 nan 0.000 0.432 143 W N 1.497 122.763 121.300 -0.057 0.000 2.532 143 W HA 0.435 5.118 4.660 0.037 0.000 0.321 143 W C -0.128 176.365 176.519 -0.044 0.000 1.037 143 W CA -0.759 56.547 57.345 -0.064 0.000 1.220 143 W CB 1.239 30.670 29.460 -0.048 0.000 1.361 143 W HN 0.068 nan 8.180 nan 0.000 0.468 144 V N 1.158 121.144 119.914 0.119 0.000 3.074 144 V HA 0.745 4.887 4.120 0.038 0.000 0.314 144 V C -2.451 173.707 176.094 0.107 0.000 1.117 144 V CA -3.388 58.957 62.300 0.075 0.000 1.014 144 V CB 1.742 33.565 31.823 -0.001 0.000 1.057 144 V HN 0.316 nan 8.190 nan 0.000 0.438 145 P HA 0.079 nan 4.420 nan 0.000 0.272 145 P C -0.091 177.277 177.300 0.114 0.000 1.223 145 P CA -0.034 63.121 63.100 0.092 0.000 0.784 145 P CB 0.404 32.132 31.700 0.046 0.000 0.923 146 N N 1.675 120.459 118.700 0.141 0.000 2.305 146 N HA -0.115 4.648 4.740 0.038 0.000 0.232 146 N C 1.304 176.875 175.510 0.101 0.000 1.274 146 N CA -0.000 53.160 53.050 0.184 0.000 0.870 146 N CB 0.169 38.713 38.487 0.094 0.000 1.105 146 N HN 0.416 nan 8.380 nan 0.000 0.436 147 F N 1.406 121.399 119.950 0.072 0.000 2.271 147 F HA -0.163 4.391 4.527 0.045 0.000 0.302 147 F C 1.010 176.836 175.800 0.044 0.000 1.063 147 F CA 1.391 59.422 58.000 0.051 0.000 1.362 147 F CB -0.134 38.898 39.000 0.054 0.000 1.060 147 F HN 0.483 nan 8.300 nan 0.000 0.521 148 D N -1.588 118.278 120.400 -0.891 0.000 2.540 148 D HA 0.223 4.885 4.640 0.038 0.000 0.229 148 D C 1.547 177.638 176.300 -0.350 0.000 1.250 148 D CA 0.198 53.756 54.000 -0.736 0.000 0.817 148 D CB 0.037 40.153 40.800 -1.141 0.000 1.060 148 D HN 0.391 nan 8.370 nan 0.000 0.508 149 G N -0.086 108.581 108.800 -0.222 0.000 2.162 149 G HA2 -0.367 3.615 3.960 0.038 0.000 0.260 149 G HA3 -0.367 3.615 3.960 0.038 0.000 0.260 149 G C 1.105 175.948 174.900 -0.094 0.000 0.976 149 G CA 0.906 45.941 45.100 -0.109 0.000 0.655 149 G HN 0.382 nan 8.290 nan 0.000 0.533 150 T N -0.064 114.409 114.554 -0.136 0.000 2.894 150 T HA 0.400 4.773 4.350 0.038 0.000 0.258 150 T C 1.335 176.009 174.700 -0.043 0.000 1.043 150 T CA 1.378 63.419 62.100 -0.098 0.000 1.141 150 T CB 0.147 68.934 68.868 -0.135 0.000 0.873 150 T HN 0.435 nan 8.240 nan 0.000 0.449 151 L N -0.542 120.674 121.223 -0.013 0.000 2.177 151 L HA 0.549 4.911 4.340 0.038 0.000 0.255 151 L C -0.544 176.427 176.870 0.168 0.000 1.065 151 L CA -1.235 53.653 54.840 0.080 0.000 0.982 151 L CB 1.283 43.400 42.059 0.096 0.000 1.559 151 L HN -0.112 nan 8.230 nan 0.000 0.492 152 Q N 0.682 120.652 119.800 0.284 0.000 2.413 152 Q HA 0.473 4.836 4.340 0.038 0.000 0.276 152 Q C -1.532 174.817 176.000 0.581 0.000 1.099 152 Q CA -0.598 55.422 55.803 0.360 0.000 0.814 152 Q CB 3.286 32.189 28.738 0.274 0.000 1.379 152 Q HN 0.622 nan 8.270 nan 0.000 0.436 153 E N 0.219 120.682 120.200 0.438 0.000 2.429 153 E HA 0.617 4.989 4.350 0.038 0.000 0.276 153 E C -2.894 173.327 176.600 -0.632 0.000 0.953 153 E CA -2.369 53.997 56.400 -0.056 0.000 0.787 153 E CB 2.254 31.929 29.700 -0.041 0.000 1.307 153 E HN 0.138 nan 8.360 nan 0.000 0.458 154 P HA 0.130 nan 4.420 nan 0.000 0.280 154 P C -0.027 176.866 177.300 -0.678 0.000 1.244 154 P CA -0.393 61.883 63.100 -1.375 0.000 0.784 154 P CB 1.352 32.266 31.700 -1.310 0.000 0.913 155 K N 2.798 122.877 120.400 -0.535 0.000 2.026 155 K HA -0.053 4.290 4.320 0.038 0.000 0.208 155 K C 1.025 177.420 176.600 -0.341 0.000 1.048 155 K CA 1.316 57.394 56.287 -0.348 0.000 0.929 155 K CB -0.016 32.315 32.500 -0.281 0.000 0.713 155 K HN 0.519 nan 8.250 nan 0.000 0.439 156 M N -0.179 119.237 119.600 -0.307 0.000 2.755 156 M HA 0.404 4.906 4.480 0.038 0.000 0.298 156 M C -1.353 174.889 176.300 -0.097 0.000 1.251 156 M CA -0.852 54.368 55.300 -0.133 0.000 0.817 156 M CB 1.189 33.828 32.600 0.066 0.000 1.760 156 M HN -0.154 nan 8.290 nan 0.000 0.473 157 L N 2.193 123.455 121.223 0.065 0.000 2.346 157 L HA 0.517 4.880 4.340 0.038 0.000 0.274 157 L C -2.019 174.968 176.870 0.194 0.000 1.007 157 L CA -1.690 53.178 54.840 0.047 0.000 0.818 157 L CB 2.366 44.437 42.059 0.019 0.000 1.284 157 L HN 0.536 nan 8.230 nan 0.000 0.424 158 P HA 0.062 nan 4.420 nan 0.000 0.231 158 P C -0.260 177.101 177.300 0.102 0.000 1.756 158 P CA -0.117 63.027 63.100 0.073 0.000 0.990 158 P CB 0.042 31.725 31.700 -0.029 0.000 1.973 159 A N 2.643 125.607 122.820 0.239 0.000 2.488 159 A HA 0.083 4.426 4.320 0.038 0.000 0.249 159 A C 1.458 179.203 177.584 0.268 0.000 1.083 159 A CA -0.210 51.939 52.037 0.186 0.000 0.768 159 A CB 0.192 19.317 19.000 0.209 0.000 1.017 159 A HN 0.302 nan 8.150 nan 0.000 0.496 160 R N 1.621 122.185 120.500 0.106 0.000 2.173 160 R HA 0.194 4.556 4.340 0.038 0.000 0.208 160 R C -0.232 176.261 176.300 0.323 0.000 1.035 160 R CA 0.535 56.721 56.100 0.143 0.000 1.004 160 R CB -0.159 30.118 30.300 -0.037 0.000 0.917 160 R HN 0.653 nan 8.270 nan 0.000 0.462 161 L N 1.843 123.105 121.223 0.065 0.000 2.341 161 L HA 0.399 4.761 4.340 0.038 0.000 0.267 161 L C -2.340 174.143 176.870 -0.646 0.000 1.009 161 L CA -2.577 52.091 54.840 -0.285 0.000 0.819 161 L CB 2.298 44.168 42.059 -0.316 0.000 1.323 161 L HN -0.224 nan 8.230 nan 0.000 0.425 162 P HA 0.033 nan 4.420 nan 0.000 0.252 162 P C 0.015 176.947 177.300 -0.613 0.000 1.727 162 P CA 0.092 62.339 63.100 -1.421 0.000 1.134 162 P CB 0.099 30.800 31.700 -1.664 0.000 1.876 163 N N 2.061 120.546 118.700 -0.360 0.000 2.258 163 N HA -0.162 4.601 4.740 0.038 0.000 0.187 163 N C 1.160 176.596 175.510 -0.123 0.000 1.012 163 N CA 1.013 53.976 53.050 -0.146 0.000 0.870 163 N CB -0.061 38.393 38.487 -0.055 0.000 0.977 163 N HN 0.130 nan 8.380 nan 0.000 0.434 164 I N 1.217 121.675 120.570 -0.187 0.000 2.151 164 I HA -0.288 3.904 4.170 0.038 0.000 0.243 164 I C 2.302 178.368 176.117 -0.085 0.000 1.080 164 I CA 1.194 62.415 61.300 -0.132 0.000 1.339 164 I CB -0.535 37.357 38.000 -0.180 0.000 1.039 164 I HN 0.153 nan 8.210 nan 0.000 0.409 165 L N -0.824 120.307 121.223 -0.154 0.000 2.127 165 L HA -0.031 4.332 4.340 0.038 0.000 0.203 165 L C 2.451 179.375 176.870 0.090 0.000 1.080 165 L CA 0.670 55.461 54.840 -0.081 0.000 0.768 165 L CB -0.432 41.425 42.059 -0.336 0.000 0.924 165 L HN 0.203 nan 8.230 nan 0.000 0.444 166 L N -0.254 120.954 121.223 -0.024 0.000 2.042 166 L HA -0.207 4.156 4.340 0.038 0.000 0.210 166 L C 2.023 178.976 176.870 0.138 0.000 1.076 166 L CA 1.277 56.153 54.840 0.060 0.000 0.749 166 L CB -0.515 41.500 42.059 -0.074 0.000 0.893 166 L HN 0.406 nan 8.230 nan 0.000 0.432 167 N N -1.089 117.659 118.700 0.079 0.000 2.463 167 N HA 0.099 4.862 4.740 0.038 0.000 0.183 167 N C 1.020 176.587 175.510 0.095 0.000 1.064 167 N CA 0.971 54.074 53.050 0.088 0.000 0.879 167 N CB 0.831 39.338 38.487 0.033 0.000 1.148 167 N HN 0.306 nan 8.380 nan 0.000 0.451 168 G N 0.440 109.285 108.800 0.075 0.000 2.633 168 G HA2 -0.330 3.652 3.960 0.038 0.000 0.263 168 G HA3 -0.330 3.652 3.960 0.038 0.000 0.263 168 G C 0.377 175.345 174.900 0.115 0.000 1.310 168 G CA 0.499 45.645 45.100 0.078 0.000 0.914 168 G HN 0.465 nan 8.290 nan 0.000 0.569 169 T N -3.516 111.099 114.554 0.101 0.000 2.889 169 T HA 0.651 5.024 4.350 0.038 0.000 0.340 169 T C 0.742 175.512 174.700 0.117 0.000 1.145 169 T CA 1.233 63.400 62.100 0.112 0.000 0.986 169 T CB 1.482 70.403 68.868 0.089 0.000 1.461 169 T HN 2.228 nan 8.240 nan 0.000 0.541 170 T N -3.355 111.250 114.554 0.085 0.000 2.762 170 T HA 0.528 4.901 4.350 0.038 0.000 0.301 170 T C 0.888 175.608 174.700 0.035 0.000 1.299 170 T CA 0.746 62.867 62.100 0.035 0.000 1.005 170 T CB 0.823 69.651 68.868 -0.067 0.000 1.377 170 T HN 1.893 nan 8.240 nan 0.000 0.504 171 G N 1.691 110.495 108.800 0.006 0.000 2.377 171 G HA2 -0.246 3.737 3.960 0.038 0.000 0.250 171 G HA3 -0.246 3.737 3.960 0.038 0.000 0.250 171 G C 0.938 175.850 174.900 0.021 0.000 1.039 171 G CA 0.266 45.365 45.100 -0.000 0.000 0.625 171 G HN 1.789 nan 8.290 nan 0.000 0.526 172 I N 0.097 120.708 120.570 0.068 0.000 5.200 172 I HA -0.241 3.951 4.170 0.038 0.000 0.126 172 I C 1.434 177.558 176.117 0.012 0.000 1.374 172 I CA 1.171 62.515 61.300 0.073 0.000 2.633 172 I CB -1.254 36.825 38.000 0.131 0.000 2.409 172 I HN 1.195 nan 8.210 nan 0.000 0.319 173 A N 1.727 124.553 122.820 0.010 0.000 2.404 173 A HA 0.514 4.857 4.320 0.038 0.000 0.258 173 A C 0.372 177.951 177.584 -0.008 0.000 1.644 173 A CA 0.517 52.551 52.037 -0.004 0.000 0.847 173 A CB 0.310 19.312 19.000 0.004 0.000 1.473 173 A HN 0.396 nan 8.150 nan 0.000 0.602 174 V N -2.341 117.569 119.914 -0.007 0.000 2.971 174 V HA 0.602 4.745 4.120 0.038 0.000 0.309 174 V C 0.688 176.783 176.094 0.002 0.000 1.130 174 V CA 0.332 62.629 62.300 -0.006 0.000 0.964 174 V CB 1.263 33.075 31.823 -0.018 0.000 1.029 174 V HN 2.128 nan 8.190 nan 0.000 0.427 175 G N 3.294 112.097 108.800 0.006 0.000 2.132 175 G HA2 -0.167 3.816 3.960 0.038 0.000 0.228 175 G HA3 -0.167 3.816 3.960 0.038 0.000 0.228 175 G C 0.048 174.958 174.900 0.016 0.000 1.000 175 G CA 0.067 45.173 45.100 0.010 0.000 0.693 175 G HN 0.409 nan 8.290 nan 0.000 0.515 176 M N -0.015 119.597 119.600 0.020 0.000 2.226 176 M HA 0.470 4.972 4.480 0.038 0.000 0.324 176 M C 1.714 178.031 176.300 0.028 0.000 1.112 176 M CA 0.709 56.026 55.300 0.028 0.000 1.176 176 M CB 0.665 33.286 32.600 0.035 0.000 1.430 176 M HN 0.505 nan 8.290 nan 0.000 0.462 177 A N 0.954 123.794 122.820 0.032 0.000 2.178 177 A HA 0.138 4.481 4.320 0.038 0.000 0.211 177 A C 0.915 178.520 177.584 0.035 0.000 1.157 177 A CA 0.886 52.942 52.037 0.031 0.000 0.780 177 A CB 0.086 19.105 19.000 0.033 0.000 0.828 177 A HN 0.806 nan 8.150 nan 0.000 0.476 178 T N -0.955 113.623 114.554 0.040 0.000 2.853 178 T HA 0.497 4.869 4.350 0.038 0.000 0.311 178 T C -2.601 172.130 174.700 0.052 0.000 1.307 178 T CA -0.690 61.436 62.100 0.044 0.000 1.019 178 T CB 1.574 70.471 68.868 0.047 0.000 1.264 178 T HN 0.022 nan 8.240 nan 0.000 0.497 179 D N 3.173 123.607 120.400 0.057 0.000 2.323 179 D HA 0.332 4.995 4.640 0.038 0.000 0.242 179 D C -0.833 175.512 176.300 0.075 0.000 1.347 179 D CA -0.129 53.913 54.000 0.071 0.000 0.988 179 D CB 1.133 41.977 40.800 0.073 0.000 1.314 179 D HN 0.514 nan 8.370 nan 0.000 0.564 180 I N 2.897 123.513 120.570 0.078 0.000 2.355 180 I HA 0.271 4.464 4.170 0.038 0.000 0.288 180 I C -2.362 173.783 176.117 0.046 0.000 0.999 180 I CA -1.948 59.401 61.300 0.081 0.000 1.163 180 I CB 1.819 39.867 38.000 0.081 0.000 1.316 180 I HN -0.112 nan 8.210 nan 0.000 0.454 181 P HA 0.220 nan 4.420 nan 0.000 0.274 181 P C -2.542 174.504 177.300 -0.423 0.000 1.231 181 P CA -1.568 61.364 63.100 -0.282 0.000 0.790 181 P CB -0.065 31.372 31.700 -0.437 0.000 0.951 182 P HA 0.203 nan 4.420 nan 0.000 0.278 182 P C -0.891 176.032 177.300 -0.629 0.000 1.238 182 P CA 0.196 63.050 63.100 -0.409 0.000 0.794 182 P CB 0.562 32.029 31.700 -0.388 0.000 0.955 183 H N -0.718 118.259 119.070 -0.154 0.000 2.771 183 H HA 0.311 4.889 4.556 0.037 0.000 0.367 183 H C 0.488 175.810 175.328 -0.009 0.000 1.172 183 H CA -0.786 55.187 56.048 -0.124 0.000 1.186 183 H CB 0.919 30.608 29.762 -0.123 0.000 1.790 183 H HN 0.370 nan 8.280 nan 0.000 0.556 184 N N 1.951 120.711 118.700 0.101 0.000 2.475 184 N HA -0.053 4.709 4.740 0.038 0.000 0.267 184 N C 1.063 176.628 175.510 0.090 0.000 1.169 184 N CA 0.058 53.183 53.050 0.124 0.000 0.947 184 N CB 0.821 39.337 38.487 0.050 0.000 1.061 184 N HN 0.644 nan 8.380 nan 0.000 0.466 185 L N 4.892 126.179 121.223 0.106 0.000 2.012 185 L HA -0.174 4.189 4.340 0.038 0.000 0.210 185 L C 2.440 179.270 176.870 -0.066 0.000 1.073 185 L CA 1.405 56.179 54.840 -0.111 0.000 0.748 185 L CB -0.040 41.847 42.059 -0.286 0.000 0.891 185 L HN 0.626 nan 8.230 nan 0.000 0.431 186 R N -0.489 120.007 120.500 -0.007 0.000 2.075 186 R HA -0.137 4.225 4.340 0.038 0.000 0.232 186 R C 2.149 178.433 176.300 -0.027 0.000 1.126 186 R CA 1.597 57.691 56.100 -0.010 0.000 0.963 186 R CB -0.227 30.082 30.300 0.014 0.000 0.858 186 R HN 0.509 nan 8.270 nan 0.000 0.435 187 E N 0.055 120.240 120.200 -0.025 0.000 2.038 187 E HA -0.190 4.183 4.350 0.038 0.000 0.195 187 E C 2.047 178.599 176.600 -0.079 0.000 1.000 187 E CA 1.642 58.016 56.400 -0.044 0.000 0.803 187 E CB -0.077 29.601 29.700 -0.035 0.000 0.750 187 E HN 0.080 nan 8.360 nan 0.000 0.448 188 V N 1.541 121.392 119.914 -0.105 0.000 2.287 188 V HA -0.308 3.834 4.120 0.038 0.000 0.248 188 V C 2.349 178.358 176.094 -0.143 0.000 1.053 188 V CA 1.857 64.058 62.300 -0.165 0.000 1.027 188 V CB -0.888 30.801 31.823 -0.223 0.000 0.646 188 V HN 0.336 nan 8.190 nan 0.000 0.447 189 A N -0.925 121.824 122.820 -0.118 0.000 1.859 189 A HA -0.357 3.986 4.320 0.038 0.000 0.217 189 A C 2.216 179.774 177.584 -0.044 0.000 1.198 189 A CA 2.386 54.375 52.037 -0.080 0.000 0.629 189 A CB -0.749 18.217 19.000 -0.057 0.000 0.830 189 A HN 0.578 nan 8.150 nan 0.000 0.446 190 Q N -1.129 118.647 119.800 -0.039 0.000 2.112 190 Q HA -0.222 4.141 4.340 0.038 0.000 0.206 190 Q C 2.387 178.366 176.000 -0.034 0.000 0.987 190 Q CA 1.615 57.401 55.803 -0.029 0.000 0.858 190 Q CB -0.356 28.365 28.738 -0.028 0.000 0.905 190 Q HN 0.713 nan 8.270 nan 0.000 0.420 191 A N 0.410 123.196 122.820 -0.056 0.000 1.930 191 A HA -0.079 4.264 4.320 0.038 0.000 0.217 191 A C 2.196 179.754 177.584 -0.043 0.000 1.175 191 A CA 1.476 53.474 52.037 -0.065 0.000 0.627 191 A CB -0.587 18.348 19.000 -0.109 0.000 0.815 191 A HN 0.441 nan 8.150 nan 0.000 0.443 192 A N -0.109 122.692 122.820 -0.031 0.000 1.930 192 A HA -0.023 4.319 4.320 0.038 0.000 0.217 192 A C 2.095 179.703 177.584 0.040 0.000 1.175 192 A CA 1.382 53.438 52.037 0.032 0.000 0.627 192 A CB -0.534 18.518 19.000 0.086 0.000 0.815 192 A HN 0.485 nan 8.150 nan 0.000 0.443 193 I N -0.246 120.337 120.570 0.021 0.000 2.179 193 I HA -0.271 3.921 4.170 0.038 0.000 0.242 193 I C 2.974 179.095 176.117 0.006 0.000 1.088 193 I CA 1.008 62.319 61.300 0.017 0.000 1.357 193 I CB -0.342 37.664 38.000 0.009 0.000 1.051 193 I HN 0.355 nan 8.210 nan 0.000 0.409 194 A N 0.638 123.455 122.820 -0.004 0.000 1.948 194 A HA -0.202 4.140 4.320 0.038 0.000 0.220 194 A C 2.289 179.870 177.584 -0.005 0.000 1.177 194 A CA 1.591 53.623 52.037 -0.008 0.000 0.636 194 A CB -0.798 18.192 19.000 -0.017 0.000 0.815 194 A HN 0.418 nan 8.150 nan 0.000 0.449 195 L N -0.863 120.359 121.223 -0.001 0.000 2.179 195 L HA -0.042 4.321 4.340 0.038 0.000 0.208 195 L C 2.341 179.214 176.870 0.005 0.000 1.096 195 L CA 0.604 55.446 54.840 0.002 0.000 0.779 195 L CB -0.222 41.843 42.059 0.009 0.000 0.922 195 L HN 0.391 nan 8.230 nan 0.000 0.443 196 I N -0.425 120.151 120.570 0.010 0.000 2.179 196 I HA -0.297 3.895 4.170 0.038 0.000 0.242 196 I C 1.996 178.111 176.117 -0.003 0.000 1.088 196 I CA 1.191 62.492 61.300 0.003 0.000 1.357 196 I CB -0.301 37.702 38.000 0.005 0.000 1.051 196 I HN 0.253 nan 8.210 nan 0.000 0.409 197 D N 0.333 120.732 120.400 -0.002 0.000 2.144 197 D HA -0.113 4.549 4.640 0.038 0.000 0.199 197 D C 0.708 177.005 176.300 -0.005 0.000 0.984 197 D CA 1.285 55.282 54.000 -0.004 0.000 0.834 197 D CB 0.067 40.865 40.800 -0.004 0.000 0.955 197 D HN 0.351 nan 8.370 nan 0.000 0.465 198 Q N -1.018 118.779 119.800 -0.005 0.000 2.709 198 Q HA 0.137 4.499 4.340 0.038 0.000 0.232 198 Q C -2.050 173.947 176.000 -0.005 0.000 0.856 198 Q CA -1.131 54.669 55.803 -0.005 0.000 0.788 198 Q CB 3.059 31.794 28.738 -0.006 0.000 1.386 198 Q HN -0.086 nan 8.270 nan 0.000 0.453 199 P HA -0.203 nan 4.420 nan 0.000 0.219 199 P C 0.169 177.466 177.300 -0.004 0.000 1.146 199 P CA 1.178 64.276 63.100 -0.004 0.000 0.808 199 P CB 0.350 32.048 31.700 -0.004 0.000 0.779 200 K N -0.636 119.761 120.400 -0.004 0.000 2.525 200 K HA 0.065 4.407 4.320 0.038 0.000 0.192 200 K C 0.393 176.990 176.600 -0.005 0.000 1.029 200 K CA 0.117 56.402 56.287 -0.004 0.000 1.029 200 K CB -0.622 31.875 32.500 -0.003 0.000 0.814 200 K HN 0.086 nan 8.250 nan 0.000 0.503 201 T N 2.859 117.409 114.554 -0.007 0.000 2.800 201 T HA -0.059 4.314 4.350 0.038 0.000 0.283 201 T C 0.686 175.380 174.700 -0.011 0.000 0.999 201 T CA 0.328 62.422 62.100 -0.010 0.000 1.176 201 T CB 0.360 69.220 68.868 -0.014 0.000 0.973 201 T HN 0.371 nan 8.240 nan 0.000 0.519 202 T N 1.944 116.493 114.554 -0.009 0.000 2.788 202 T HA 0.223 4.595 4.350 0.038 0.000 0.287 202 T C 1.443 176.136 174.700 -0.012 0.000 1.007 202 T CA -1.011 61.084 62.100 -0.007 0.000 1.005 202 T CB 0.537 69.403 68.868 -0.003 0.000 1.012 202 T HN 0.278 nan 8.240 nan 0.000 0.530 203 L N 0.909 122.127 121.223 -0.007 0.000 2.083 203 L HA 0.023 4.385 4.340 0.038 0.000 0.209 203 L C 1.829 178.693 176.870 -0.011 0.000 1.083 203 L CA 1.959 56.793 54.840 -0.010 0.000 0.752 203 L CB -1.405 40.662 42.059 0.012 0.000 0.899 203 L HN 0.816 nan 8.230 nan 0.000 0.433 204 D N -1.015 119.385 120.400 -0.001 0.000 2.149 204 D HA -0.232 4.431 4.640 0.038 0.000 0.198 204 D C 2.114 178.408 176.300 -0.009 0.000 0.990 204 D CA 1.477 55.477 54.000 0.001 0.000 0.839 204 D CB -0.098 40.705 40.800 0.005 0.000 0.948 204 D HN 0.542 nan 8.370 nan 0.000 0.460 205 Q N -0.099 119.693 119.800 -0.014 0.000 2.123 205 Q HA -0.008 4.355 4.340 0.038 0.000 0.199 205 Q C 2.221 178.201 176.000 -0.032 0.000 0.966 205 Q CA 0.597 56.389 55.803 -0.019 0.000 0.845 205 Q CB -0.014 28.714 28.738 -0.017 0.000 0.907 205 Q HN 0.354 nan 8.270 nan 0.000 0.439 206 L N -0.013 121.183 121.223 -0.045 0.000 2.141 206 L HA -0.152 4.211 4.340 0.038 0.000 0.209 206 L C 1.649 178.466 176.870 -0.088 0.000 1.094 206 L CA 0.418 55.213 54.840 -0.075 0.000 0.763 206 L CB -0.085 41.915 42.059 -0.099 0.000 0.908 206 L HN 0.223 nan 8.230 nan 0.000 0.437 207 L N -0.645 120.541 121.223 -0.062 0.000 2.599 207 L HA -0.071 4.292 4.340 0.038 0.000 0.230 207 L C 1.209 178.066 176.870 -0.022 0.000 1.141 207 L CA 1.259 56.073 54.840 -0.043 0.000 0.877 207 L CB -0.634 41.427 42.059 0.003 0.000 1.009 207 L HN 0.121 nan 8.230 nan 0.000 0.447 208 D N -1.644 118.741 120.400 -0.025 0.000 2.350 208 D HA 0.123 4.785 4.640 0.038 0.000 0.213 208 D C 2.012 178.297 176.300 -0.025 0.000 1.031 208 D CA 0.591 54.580 54.000 -0.018 0.000 0.861 208 D CB 0.619 41.411 40.800 -0.014 0.000 0.926 208 D HN 0.261 nan 8.370 nan 0.000 0.520 209 I N -0.746 119.800 120.570 -0.040 0.000 3.345 209 I HA 0.025 4.217 4.170 0.038 0.000 0.258 209 I C 0.305 176.389 176.117 -0.055 0.000 1.134 209 I CA 0.171 61.444 61.300 -0.045 0.000 1.457 209 I CB 0.526 38.495 38.000 -0.052 0.000 1.425 209 I HN -0.308 nan 8.210 nan 0.000 0.461 210 V N 3.193 123.055 119.914 -0.087 0.000 2.387 210 V HA 0.043 4.186 4.120 0.038 0.000 0.260 210 V C 1.029 177.090 176.094 -0.056 0.000 1.054 210 V CA 0.235 62.472 62.300 -0.105 0.000 0.967 210 V CB 0.568 32.254 31.823 -0.228 0.000 1.036 210 V HN 0.364 nan 8.190 nan 0.000 0.481 211 Q N 3.418 123.211 119.800 -0.012 0.000 2.167 211 Q HA 0.198 4.560 4.340 0.038 0.000 0.202 211 Q C 1.156 177.204 176.000 0.080 0.000 0.970 211 Q CA 1.025 56.841 55.803 0.021 0.000 0.855 211 Q CB 0.289 29.033 28.738 0.009 0.000 0.911 211 Q HN 1.027 nan 8.270 nan 0.000 0.438 212 G N -0.194 108.677 108.800 0.118 0.000 2.340 212 G HA2 -0.012 3.970 3.960 0.038 0.000 0.282 212 G HA3 -0.012 3.970 3.960 0.038 0.000 0.282 212 G C -3.043 171.934 174.900 0.128 0.000 1.312 212 G CA -1.299 43.955 45.100 0.256 0.000 0.942 212 G HN -0.160 nan 8.290 nan 0.000 0.495 213 P HA 0.322 nan 4.420 nan 0.000 0.267 213 P C -1.016 176.018 177.300 -0.442 0.000 1.200 213 P CA 0.399 63.172 63.100 -0.546 0.000 0.772 213 P CB 0.740 32.062 31.700 -0.630 0.000 0.855 214 D N 2.129 122.193 120.400 -0.559 0.000 2.440 214 D HA 0.215 4.877 4.640 0.038 0.000 0.252 214 D C -1.256 174.753 176.300 -0.485 0.000 1.180 214 D CA -0.511 53.273 54.000 -0.361 0.000 0.894 214 D CB -0.034 40.652 40.800 -0.190 0.000 1.111 214 D HN 0.168 nan 8.370 nan 0.000 0.544 215 Y N 2.770 122.859 120.300 -0.353 0.000 2.307 215 Y HA 0.317 4.889 4.550 0.036 0.000 0.324 215 Y C -1.205 174.443 175.900 -0.421 0.000 1.238 215 Y CA -2.114 55.706 58.100 -0.468 0.000 1.280 215 Y CB 1.291 39.426 38.460 -0.542 0.000 1.248 215 Y HN 0.300 nan 8.280 nan 0.000 0.508 216 P HA -0.005 nan 4.420 nan 0.000 0.238 216 P C -0.387 176.492 177.300 -0.701 0.000 1.714 216 P CA 0.471 63.295 63.100 -0.458 0.000 0.908 216 P CB -0.115 31.300 31.700 -0.475 0.000 1.893 217 T N -1.253 113.080 114.554 -0.367 0.000 2.957 217 T HA 0.175 4.547 4.350 0.038 0.000 0.336 217 T C 0.209 174.857 174.700 -0.087 0.000 1.462 217 T CA -0.521 61.434 62.100 -0.241 0.000 1.073 217 T CB 1.280 70.046 68.868 -0.171 0.000 1.319 217 T HN 0.007 nan 8.240 nan 0.000 0.485 218 E N 1.603 121.796 120.200 -0.011 0.000 2.445 218 E HA 0.331 4.703 4.350 0.038 0.000 0.189 218 E C 0.881 177.481 176.600 -0.001 0.000 1.069 218 E CA -0.277 56.121 56.400 -0.003 0.000 0.871 218 E CB 0.354 30.066 29.700 0.021 0.000 0.991 218 E HN 0.669 nan 8.360 nan 0.000 0.481 219 A N 1.731 124.549 122.820 -0.003 0.000 2.366 219 A HA 0.130 4.473 4.320 0.038 0.000 0.249 219 A C 0.120 177.683 177.584 -0.035 0.000 1.084 219 A CA -0.271 51.763 52.037 -0.005 0.000 0.794 219 A CB 0.404 19.406 19.000 0.003 0.000 1.034 219 A HN 0.068 nan 8.150 nan 0.000 0.491 220 E N 0.284 120.460 120.200 -0.040 0.000 2.277 220 E HA 0.383 4.755 4.350 0.038 0.000 0.274 220 E C -1.028 175.539 176.600 -0.055 0.000 1.022 220 E CA -0.228 56.143 56.400 -0.048 0.000 0.853 220 E CB 1.362 31.029 29.700 -0.056 0.000 1.086 220 E HN 0.526 nan 8.360 nan 0.000 0.397 221 I N 3.946 124.492 120.570 -0.039 0.000 2.322 221 I HA 0.058 4.251 4.170 0.038 0.000 0.292 221 I C 1.218 177.319 176.117 -0.027 0.000 1.060 221 I CA 0.132 61.414 61.300 -0.030 0.000 1.309 221 I CB 0.434 38.431 38.000 -0.005 0.000 1.415 221 I HN 0.583 nan 8.210 nan 0.000 0.492 222 I N 1.972 122.524 120.570 -0.030 0.000 3.603 222 I HA 0.085 4.277 4.170 0.038 0.000 0.297 222 I C 1.121 177.230 176.117 -0.013 0.000 1.269 222 I CA -0.139 61.142 61.300 -0.031 0.000 1.361 222 I CB -0.254 37.715 38.000 -0.052 0.000 1.063 222 I HN 0.526 nan 8.210 nan 0.000 0.448 223 T N 0.417 114.968 114.554 -0.004 0.000 2.930 223 T HA 0.167 4.539 4.350 0.038 0.000 0.306 223 T C 0.464 175.167 174.700 0.004 0.000 1.045 223 T CA -0.139 61.963 62.100 0.002 0.000 1.134 223 T CB 0.993 69.864 68.868 0.005 0.000 0.961 223 T HN 0.350 nan 8.240 nan 0.000 0.545 224 S N 2.008 117.711 115.700 0.005 0.000 2.561 224 S HA 0.001 4.494 4.470 0.038 0.000 0.294 224 S C 1.492 176.101 174.600 0.014 0.000 1.294 224 S CA -0.374 57.831 58.200 0.008 0.000 1.055 224 S CB 0.190 63.395 63.200 0.008 0.000 0.819 224 S HN 0.793 nan 8.310 nan 0.000 0.503 225 R N 3.260 123.771 120.500 0.018 0.000 2.152 225 R HA -0.063 4.300 4.340 0.038 0.000 0.232 225 R C 2.464 178.783 176.300 0.032 0.000 1.117 225 R CA 1.387 57.505 56.100 0.030 0.000 0.981 225 R CB -0.564 29.752 30.300 0.027 0.000 0.870 225 R HN 0.782 nan 8.270 nan 0.000 0.451 226 A N 1.000 123.833 122.820 0.022 0.000 1.930 226 A HA -0.125 4.217 4.320 0.038 0.000 0.217 226 A C 1.781 179.376 177.584 0.018 0.000 1.175 226 A CA 1.100 53.150 52.037 0.021 0.000 0.627 226 A CB -0.080 18.930 19.000 0.016 0.000 0.815 226 A HN 0.146 nan 8.150 nan 0.000 0.443 227 E N -0.620 119.586 120.200 0.010 0.000 2.158 227 E HA -0.018 4.355 4.350 0.038 0.000 0.191 227 E C 1.674 178.264 176.600 -0.017 0.000 0.982 227 E CA 0.478 56.877 56.400 -0.002 0.000 0.823 227 E CB -0.156 29.542 29.700 -0.004 0.000 0.766 227 E HN 0.676 nan 8.360 nan 0.000 0.468 228 I N 0.923 121.492 120.570 -0.002 0.000 3.176 228 I HA -0.170 4.023 4.170 0.038 0.000 0.275 228 I C 2.480 178.617 176.117 0.033 0.000 1.298 228 I CA 0.535 61.828 61.300 -0.011 0.000 1.445 228 I CB 0.090 38.121 38.000 0.050 0.000 1.075 228 I HN -0.061 nan 8.210 nan 0.000 0.482 229 R N 0.427 120.961 120.500 0.056 0.000 2.105 229 R HA -0.028 4.334 4.340 0.038 0.000 0.214 229 R C 2.101 178.435 176.300 0.056 0.000 1.091 229 R CA 0.542 56.702 56.100 0.099 0.000 1.007 229 R CB 0.093 30.436 30.300 0.073 0.000 0.912 229 R HN 0.189 nan 8.270 nan 0.000 0.450 230 K N 0.496 120.904 120.400 0.013 0.000 2.103 230 K HA -0.123 4.219 4.320 0.038 0.000 0.207 230 K C 2.031 178.614 176.600 -0.028 0.000 1.048 230 K CA 1.506 57.792 56.287 -0.001 0.000 0.930 230 K CB -0.123 32.372 32.500 -0.008 0.000 0.716 230 K HN 0.203 nan 8.250 nan 0.000 0.444 231 I N -0.241 120.272 120.570 -0.096 0.000 2.142 231 I HA -0.284 3.908 4.170 0.038 0.000 0.240 231 I C 1.671 177.686 176.117 -0.169 0.000 1.078 231 I CA 1.361 62.544 61.300 -0.195 0.000 1.343 231 I CB -0.277 37.497 38.000 -0.376 0.000 1.046 231 I HN 0.105 nan 8.210 nan 0.000 0.405 232 Y N 0.325 120.632 120.300 0.012 0.000 2.578 232 Y HA -0.106 4.466 4.550 0.037 0.000 0.297 232 Y C 2.271 178.169 175.900 -0.004 0.000 1.176 232 Y CA 0.607 58.708 58.100 0.001 0.000 1.315 232 Y CB -0.353 38.104 38.460 -0.006 0.000 1.031 232 Y HN 0.199 nan 8.280 nan 0.000 0.524 233 E N -0.124 120.144 120.200 0.113 0.000 2.307 233 E HA 0.004 4.377 4.350 0.038 0.000 0.195 233 E C 1.145 177.772 176.600 0.045 0.000 0.975 233 E CA 0.716 57.158 56.400 0.070 0.000 0.878 233 E CB 0.005 29.735 29.700 0.050 0.000 0.845 233 E HN 0.217 nan 8.360 nan 0.000 0.488 234 N N -0.395 118.323 118.700 0.030 0.000 2.254 234 N HA 0.118 4.881 4.740 0.038 0.000 0.190 234 N C 0.845 176.366 175.510 0.019 0.000 1.107 234 N CA 0.764 53.825 53.050 0.018 0.000 0.869 234 N CB 1.019 39.508 38.487 0.005 0.000 0.983 234 N HN 0.251 nan 8.380 nan 0.000 0.487 235 G N 2.058 110.876 108.800 0.029 0.000 2.175 235 G HA2 -0.332 3.651 3.960 0.038 0.000 0.265 235 G HA3 -0.332 3.651 3.960 0.038 0.000 0.265 235 G C 0.111 175.014 174.900 0.006 0.000 0.979 235 G CA 0.954 46.075 45.100 0.035 0.000 0.663 235 G HN 0.620 nan 8.290 nan 0.000 0.533 236 R N -1.590 118.899 120.500 -0.019 0.000 2.643 236 R HA 0.729 5.092 4.340 0.038 0.000 0.269 236 R C 0.174 176.450 176.300 -0.040 0.000 1.037 236 R CA -0.068 56.019 56.100 -0.022 0.000 0.894 236 R CB 1.406 31.704 30.300 -0.003 0.000 1.238 236 R HN 1.495 nan 8.270 nan 0.000 0.459 237 G N 0.412 109.190 108.800 -0.037 0.000 2.404 237 G HA2 0.285 4.268 3.960 0.038 0.000 0.253 237 G HA3 0.285 4.268 3.960 0.038 0.000 0.253 237 G C -1.697 173.191 174.900 -0.020 0.000 1.253 237 G CA -0.086 44.992 45.100 -0.035 0.000 0.917 237 G HN 0.688 nan 8.290 nan 0.000 0.480 238 S N -1.702 113.988 115.700 -0.017 0.000 2.546 238 S HA 0.753 5.246 4.470 0.038 0.000 0.274 238 S C -1.364 173.248 174.600 0.021 0.000 1.121 238 S CA -0.408 57.802 58.200 0.017 0.000 0.887 238 S CB 1.911 65.125 63.200 0.022 0.000 1.094 238 S HN 1.260 nan 8.310 nan 0.000 0.474 239 V N 3.788 123.746 119.914 0.073 0.000 2.735 239 V HA 0.637 4.779 4.120 0.038 0.000 0.310 239 V C -0.149 176.028 176.094 0.138 0.000 1.061 239 V CA -0.798 61.545 62.300 0.072 0.000 0.913 239 V CB 1.996 33.851 31.823 0.053 0.000 1.005 239 V HN 0.884 nan 8.190 nan 0.000 0.428 240 R N 3.779 124.331 120.500 0.087 0.000 2.589 240 R HA 0.794 5.156 4.340 0.038 0.000 0.293 240 R C -1.008 175.323 176.300 0.052 0.000 0.963 240 R CA -0.557 55.605 56.100 0.104 0.000 0.905 240 R CB 1.589 31.919 30.300 0.050 0.000 1.144 240 R HN 0.709 nan 8.270 nan 0.000 0.459 241 M N 2.347 121.994 119.600 0.079 0.000 2.662 241 M HA 0.504 5.006 4.480 0.038 0.000 0.310 241 M C -0.692 175.599 176.300 -0.016 0.000 1.204 241 M CA -0.893 54.402 55.300 -0.008 0.000 0.891 241 M CB 2.586 35.139 32.600 -0.080 0.000 1.732 241 M HN 0.475 nan 8.290 nan 0.000 0.467 242 R N 0.806 121.263 120.500 -0.071 0.000 2.604 242 R HA 0.713 5.075 4.340 0.038 0.000 0.281 242 R C -1.177 175.091 176.300 -0.053 0.000 1.020 242 R CA -0.495 55.521 56.100 -0.140 0.000 0.899 242 R CB 1.968 32.055 30.300 -0.355 0.000 1.205 242 R HN 0.891 nan 8.270 nan 0.000 0.450 243 A N 2.960 125.807 122.820 0.044 0.000 2.531 243 A HA 0.205 4.547 4.320 0.038 0.000 0.236 243 A C -0.141 177.584 177.584 0.235 0.000 1.062 243 A CA -0.108 52.027 52.037 0.163 0.000 0.760 243 A CB 0.406 19.559 19.000 0.255 0.000 0.995 243 A HN 0.438 nan 8.150 nan 0.000 0.501 244 V N 4.745 124.775 119.914 0.193 0.000 2.498 244 V HA 0.448 4.591 4.120 0.038 0.000 0.279 244 V C 0.203 176.470 176.094 0.288 0.000 1.048 244 V CA -0.098 62.298 62.300 0.160 0.000 0.967 244 V CB 0.269 32.127 31.823 0.059 0.000 0.988 244 V HN 0.959 nan 8.190 nan 0.000 0.473 245 W N 4.589 125.938 121.300 0.081 0.000 3.038 245 W HA 0.827 5.510 4.660 0.037 0.000 0.347 245 W C -1.234 175.326 176.519 0.067 0.000 1.219 245 W CA -1.342 56.057 57.345 0.090 0.000 1.142 245 W CB 1.867 31.410 29.460 0.139 0.000 1.484 245 W HN 0.596 nan 8.180 nan 0.000 0.586 246 K N 0.486 121.057 120.400 0.285 0.000 2.578 246 K HA 0.583 4.926 4.320 0.038 0.000 0.287 246 K C -1.485 175.279 176.600 0.274 0.000 1.010 246 K CA -1.136 55.199 56.287 0.080 0.000 0.889 246 K CB 2.391 34.904 32.500 0.023 0.000 1.514 246 K HN 0.341 nan 8.250 nan 0.000 0.424 247 K N 1.119 121.616 120.400 0.162 0.000 2.263 247 K HA 0.156 4.499 4.320 0.038 0.000 0.272 247 K C -1.104 175.553 176.600 0.095 0.000 1.033 247 K CA -0.400 55.989 56.287 0.169 0.000 0.884 247 K CB 1.605 34.199 32.500 0.157 0.000 1.107 247 K HN 0.496 nan 8.250 nan 0.000 0.460 248 E N 3.912 124.165 120.200 0.089 0.000 2.167 248 E HA 0.026 4.398 4.350 0.038 0.000 0.247 248 E C -1.179 175.449 176.600 0.047 0.000 0.961 248 E CA -0.645 55.790 56.400 0.057 0.000 0.797 248 E CB 0.033 29.765 29.700 0.053 0.000 1.182 248 E HN 0.581 nan 8.360 nan 0.000 0.437 249 D N 2.766 123.191 120.400 0.040 0.000 4.267 249 D HA -0.248 4.414 4.640 0.038 0.000 0.190 249 D C 0.836 177.155 176.300 0.031 0.000 1.151 249 D CA 1.183 55.202 54.000 0.033 0.000 0.948 249 D CB -0.940 39.874 40.800 0.023 0.000 0.951 249 D HN 0.737 nan 8.370 nan 0.000 0.510 250 G N 0.838 109.659 108.800 0.035 0.000 4.024 250 G HA2 0.037 4.019 3.960 0.038 0.000 0.206 250 G HA3 0.037 4.019 3.960 0.038 0.000 0.206 250 G C 0.518 175.438 174.900 0.033 0.000 1.608 250 G CA 0.630 45.746 45.100 0.028 0.000 1.221 250 G HN 1.606 nan 8.290 nan 0.000 0.623 251 A N -0.237 122.604 122.820 0.036 0.000 2.247 251 A HA 0.852 5.195 4.320 0.038 0.000 0.313 251 A C -0.123 177.500 177.584 0.065 0.000 1.109 251 A CA 0.319 52.377 52.037 0.034 0.000 0.890 251 A CB 1.518 20.531 19.000 0.023 0.000 1.239 251 A HN 1.383 nan 8.150 nan 0.000 0.506 252 V N 0.067 120.015 119.914 0.057 0.000 2.513 252 V HA 0.470 4.613 4.120 0.038 0.000 0.299 252 V C -0.715 175.443 176.094 0.107 0.000 1.035 252 V CA -0.375 61.993 62.300 0.113 0.000 0.889 252 V CB 1.635 33.479 31.823 0.035 0.000 0.988 252 V HN 0.573 nan 8.190 nan 0.000 0.440 253 V N 6.467 126.482 119.914 0.168 0.000 2.378 253 V HA 0.470 4.613 4.120 0.038 0.000 0.288 253 V C -0.154 176.058 176.094 0.197 0.000 1.016 253 V CA -0.405 61.978 62.300 0.138 0.000 0.840 253 V CB 1.558 33.443 31.823 0.103 0.000 0.994 253 V HN 0.666 nan 8.190 nan 0.000 0.431 254 I N 4.343 125.010 120.570 0.163 0.000 2.371 254 I HA 0.245 4.438 4.170 0.038 0.000 0.290 254 I C 1.282 177.482 176.117 0.138 0.000 1.028 254 I CA 0.405 61.821 61.300 0.192 0.000 1.345 254 I CB 1.819 39.907 38.000 0.147 0.000 1.407 254 I HN 0.783 nan 8.210 nan 0.000 0.501 255 S N 4.136 119.921 115.700 0.142 0.000 2.599 255 S HA 0.437 4.929 4.470 0.038 0.000 0.236 255 S C 0.562 175.221 174.600 0.098 0.000 1.077 255 S CA 0.009 58.268 58.200 0.098 0.000 0.906 255 S CB 0.481 63.728 63.200 0.079 0.000 0.804 255 S HN 0.620 nan 8.310 nan 0.000 0.497 256 A N 1.240 124.128 122.820 0.114 0.000 2.365 256 A HA 0.812 5.155 4.320 0.038 0.000 0.318 256 A C -1.332 176.327 177.584 0.124 0.000 1.091 256 A CA -0.543 51.563 52.037 0.114 0.000 0.763 256 A CB 1.377 20.431 19.000 0.090 0.000 1.248 256 A HN 0.330 nan 8.150 nan 0.000 0.442 257 L N 1.978 123.278 121.223 0.128 0.000 2.354 257 L HA 0.656 5.019 4.340 0.038 0.000 0.269 257 L C -2.426 174.504 176.870 0.100 0.000 1.005 257 L CA -2.040 52.871 54.840 0.118 0.000 0.819 257 L CB 1.798 43.925 42.059 0.113 0.000 1.311 257 L HN 0.395 nan 8.230 nan 0.000 0.423 258 P HA 0.013 nan 4.420 nan 0.000 0.266 258 P C -0.948 176.408 177.300 0.092 0.000 1.195 258 P CA -0.001 63.144 63.100 0.076 0.000 0.768 258 P CB 0.138 31.918 31.700 0.133 0.000 0.838 259 H N 3.709 122.703 119.070 -0.127 0.000 3.223 259 H HA -0.146 4.432 4.556 0.037 0.000 0.287 259 H C 0.548 175.913 175.328 0.061 0.000 0.910 259 H CA 1.381 57.335 56.048 -0.158 0.000 1.406 259 H CB -0.473 28.932 29.762 -0.596 0.000 1.377 259 H HN 0.434 nan 8.280 nan 0.000 0.556 260 Q N 0.449 120.028 119.800 -0.367 0.000 2.494 260 Q HA -0.186 4.176 4.340 0.038 0.000 0.266 260 Q C -0.690 175.251 176.000 -0.099 0.000 1.053 260 Q CA 0.828 56.461 55.803 -0.284 0.000 1.029 260 Q CB -1.570 26.889 28.738 -0.465 0.000 1.423 260 Q HN 0.517 nan 8.270 nan 0.000 0.516 261 V N -1.429 118.473 119.914 -0.021 0.000 2.384 261 V HA 0.759 4.902 4.120 0.038 0.000 0.287 261 V C 0.431 176.533 176.094 0.012 0.000 1.020 261 V CA -0.038 62.258 62.300 -0.007 0.000 0.850 261 V CB 1.946 33.773 31.823 0.008 0.000 0.987 261 V HN 0.298 nan 8.190 nan 0.000 0.436 262 S N 4.110 119.808 115.700 -0.004 0.000 2.592 262 S HA 0.478 4.970 4.470 0.038 0.000 0.271 262 S C 1.467 176.070 174.600 0.004 0.000 1.326 262 S CA 0.107 58.305 58.200 -0.003 0.000 1.024 262 S CB 1.160 64.351 63.200 -0.015 0.000 0.921 262 S HN 1.661 nan 8.310 nan 0.000 0.527 263 G N 1.630 110.433 108.800 0.005 0.000 2.513 263 G HA2 -0.178 3.804 3.960 0.038 0.000 0.219 263 G HA3 -0.178 3.804 3.960 0.038 0.000 0.219 263 G C 1.609 176.509 174.900 0.000 0.000 1.160 263 G CA 0.960 46.065 45.100 0.008 0.000 0.767 263 G HN 1.227 nan 8.290 nan 0.000 0.571 264 A N 0.792 123.609 122.820 -0.006 0.000 1.986 264 A HA -0.133 4.210 4.320 0.038 0.000 0.220 264 A C 2.309 179.887 177.584 -0.010 0.000 1.171 264 A CA 2.449 54.481 52.037 -0.009 0.000 0.640 264 A CB -0.416 18.578 19.000 -0.011 0.000 0.811 264 A HN 0.418 nan 8.150 nan 0.000 0.451 265 R N 0.361 120.855 120.500 -0.010 0.000 2.055 265 R HA -0.093 4.270 4.340 0.038 0.000 0.228 265 R C 2.032 178.324 176.300 -0.013 0.000 1.143 265 R CA 2.553 58.645 56.100 -0.014 0.000 0.945 265 R CB -1.312 28.977 30.300 -0.018 0.000 0.841 265 R HN 0.558 nan 8.270 nan 0.000 0.429 266 V N -0.640 119.270 119.914 -0.007 0.000 2.515 266 V HA -0.070 4.072 4.120 0.038 0.000 0.250 266 V C 2.136 178.222 176.094 -0.015 0.000 1.058 266 V CA 1.682 63.977 62.300 -0.008 0.000 1.064 266 V CB -0.791 31.036 31.823 0.006 0.000 0.675 266 V HN 0.250 nan 8.190 nan 0.000 0.461 267 L N 0.081 121.298 121.223 -0.011 0.000 2.291 267 L HA 0.049 4.412 4.340 0.038 0.000 0.214 267 L C 2.558 179.419 176.870 -0.016 0.000 1.120 267 L CA 1.641 56.473 54.840 -0.014 0.000 0.799 267 L CB -0.708 41.346 42.059 -0.008 0.000 0.925 267 L HN 0.331 nan 8.230 nan 0.000 0.446 268 E N -0.838 119.353 120.200 -0.015 0.000 2.170 268 E HA -0.138 4.234 4.350 0.038 0.000 0.191 268 E C 1.973 178.562 176.600 -0.017 0.000 0.981 268 E CA 0.720 57.110 56.400 -0.015 0.000 0.830 268 E CB 0.144 29.835 29.700 -0.015 0.000 0.775 268 E HN 0.664 nan 8.360 nan 0.000 0.470 269 Q N 0.214 120.002 119.800 -0.020 0.000 2.049 269 Q HA -0.027 4.336 4.340 0.038 0.000 0.198 269 Q C 2.374 178.362 176.000 -0.021 0.000 0.971 269 Q CA 0.887 56.677 55.803 -0.022 0.000 0.833 269 Q CB -0.169 28.553 28.738 -0.027 0.000 0.896 269 Q HN 0.272 nan 8.270 nan 0.000 0.434 270 I N 1.284 121.839 120.570 -0.026 0.000 2.423 270 I HA -0.239 3.954 4.170 0.038 0.000 0.254 270 I C 2.301 178.404 176.117 -0.024 0.000 1.151 270 I CA 0.928 62.211 61.300 -0.029 0.000 1.421 270 I CB -0.307 37.667 38.000 -0.043 0.000 1.079 270 I HN 0.151 nan 8.210 nan 0.000 0.431 271 A N 0.457 123.265 122.820 -0.021 0.000 1.975 271 A HA 0.143 4.485 4.320 0.038 0.000 0.215 271 A C 2.505 180.080 177.584 -0.015 0.000 1.170 271 A CA 1.146 53.172 52.037 -0.018 0.000 0.656 271 A CB -0.444 18.546 19.000 -0.016 0.000 0.821 271 A HN 0.373 nan 8.150 nan 0.000 0.449 272 A N -0.667 122.145 122.820 -0.013 0.000 1.968 272 A HA -0.113 4.230 4.320 0.038 0.000 0.217 272 A C 2.060 179.640 177.584 -0.007 0.000 1.169 272 A CA 1.328 53.358 52.037 -0.010 0.000 0.638 272 A CB -0.401 18.593 19.000 -0.010 0.000 0.812 272 A HN 0.592 nan 8.150 nan 0.000 0.446 273 Q N -0.896 118.902 119.800 -0.004 0.000 2.167 273 Q HA -0.077 4.286 4.340 0.038 0.000 0.202 273 Q C 2.072 178.066 176.000 -0.010 0.000 0.970 273 Q CA 1.522 57.328 55.803 0.005 0.000 0.855 273 Q CB -0.210 28.545 28.738 0.027 0.000 0.911 273 Q HN 0.754 nan 8.270 nan 0.000 0.438 274 M N -0.681 118.909 119.600 -0.017 0.000 2.287 274 M HA -0.050 4.453 4.480 0.038 0.000 0.266 274 M C 2.029 178.317 176.300 -0.020 0.000 1.079 274 M CA 1.014 56.300 55.300 -0.024 0.000 1.146 274 M CB -0.172 32.412 32.600 -0.027 0.000 1.374 274 M HN 0.024 nan 8.290 nan 0.000 0.435 275 R N 0.787 121.277 120.500 -0.016 0.000 2.105 275 R HA -0.058 4.304 4.340 0.038 0.000 0.239 275 R C 0.171 176.464 176.300 -0.012 0.000 1.135 275 R CA 0.926 57.018 56.100 -0.013 0.000 0.967 275 R CB -0.272 30.021 30.300 -0.011 0.000 0.861 275 R HN 0.346 nan 8.270 nan 0.000 0.442 276 N N 0.615 119.308 118.700 -0.011 0.000 2.513 276 N HA 0.022 4.785 4.740 0.038 0.000 0.274 276 N C -0.010 175.491 175.510 -0.014 0.000 1.189 276 N CA -0.120 52.924 53.050 -0.010 0.000 0.975 276 N CB 0.739 39.224 38.487 -0.005 0.000 1.157 276 N HN -0.199 nan 8.380 nan 0.000 0.465 277 K N 1.060 121.452 120.400 -0.014 0.000 2.699 277 K HA 0.000 4.343 4.320 0.038 0.000 0.205 277 K C -0.200 176.384 176.600 -0.027 0.000 1.008 277 K CA 0.607 56.882 56.287 -0.020 0.000 1.100 277 K CB -0.401 32.089 32.500 -0.017 0.000 0.878 277 K HN 0.373 nan 8.250 nan 0.000 0.496 278 K N -0.012 120.372 120.400 -0.026 0.000 2.177 278 K HA 0.190 4.532 4.320 0.038 0.000 0.238 278 K C 0.691 177.254 176.600 -0.062 0.000 1.015 278 K CA -1.397 54.866 56.287 -0.040 0.000 0.922 278 K CB 0.482 32.976 32.500 -0.010 0.000 1.127 278 K HN -0.128 nan 8.250 nan 0.000 0.469 279 L N 0.699 121.856 121.223 -0.111 0.000 3.954 279 L HA -0.175 4.188 4.340 0.038 0.000 0.462 279 L C -1.748 175.066 176.870 -0.092 0.000 1.195 279 L CA 0.217 54.981 54.840 -0.127 0.000 0.739 279 L CB -1.052 40.956 42.059 -0.084 0.000 1.599 279 L HN 0.587 nan 8.230 nan 0.000 0.838 280 P HA -0.087 nan 4.420 nan 0.000 0.231 280 P C 1.590 178.851 177.300 -0.066 0.000 1.168 280 P CA 1.043 64.103 63.100 -0.067 0.000 0.779 280 P CB 0.005 31.667 31.700 -0.063 0.000 0.844 281 M N -2.425 117.127 119.600 -0.080 0.000 2.492 281 M HA 0.067 4.570 4.480 0.038 0.000 0.262 281 M C 0.133 176.395 176.300 -0.063 0.000 1.090 281 M CA 1.015 56.273 55.300 -0.071 0.000 1.110 281 M CB -1.131 31.420 32.600 -0.081 0.000 1.407 281 M HN -0.311 nan 8.290 nan 0.000 0.470 282 V N 2.955 122.828 119.914 -0.067 0.000 2.385 282 V HA 0.058 4.200 4.120 0.038 0.000 0.269 282 V C 0.712 176.779 176.094 -0.044 0.000 1.043 282 V CA 0.012 62.277 62.300 -0.058 0.000 0.906 282 V CB 0.939 32.723 31.823 -0.066 0.000 0.995 282 V HN 0.267 nan 8.190 nan 0.000 0.467 283 D N 3.211 123.590 120.400 -0.036 0.000 2.154 283 D HA -0.004 4.658 4.640 0.038 0.000 0.211 283 D C 0.651 176.936 176.300 -0.024 0.000 0.977 283 D CA 1.079 55.063 54.000 -0.027 0.000 0.869 283 D CB 0.405 41.191 40.800 -0.022 0.000 1.022 283 D HN 0.645 nan 8.370 nan 0.000 0.461 284 D N -1.165 119.221 120.400 -0.022 0.000 2.533 284 D HA 0.455 5.118 4.640 0.038 0.000 0.247 284 D C -1.533 174.754 176.300 -0.021 0.000 1.056 284 D CA -0.704 53.285 54.000 -0.019 0.000 1.054 284 D CB 1.922 42.714 40.800 -0.013 0.000 1.400 284 D HN 0.057 nan 8.370 nan 0.000 0.533 285 L N 1.680 122.893 121.223 -0.017 0.000 2.639 285 L HA 0.414 4.776 4.340 0.038 0.000 0.264 285 L C -1.526 175.338 176.870 -0.011 0.000 0.948 285 L CA -0.343 54.487 54.840 -0.017 0.000 0.912 285 L CB 1.256 43.301 42.059 -0.022 0.000 1.294 285 L HN 0.518 nan 8.230 nan 0.000 0.412 286 R N 1.501 121.997 120.500 -0.006 0.000 2.725 286 R HA 0.652 5.014 4.340 0.038 0.000 0.277 286 R C -1.549 174.753 176.300 0.003 0.000 0.987 286 R CA -0.878 55.221 56.100 -0.001 0.000 0.901 286 R CB 1.912 32.212 30.300 0.000 0.000 1.207 286 R HN 0.473 nan 8.270 nan 0.000 0.463 287 D N 1.898 122.300 120.400 0.003 0.000 2.467 287 D HA 0.101 4.764 4.640 0.038 0.000 0.220 287 D C -0.632 175.673 176.300 0.009 0.000 1.103 287 D CA -0.386 53.617 54.000 0.006 0.000 0.886 287 D CB 0.977 41.779 40.800 0.003 0.000 1.025 287 D HN 0.606 nan 8.370 nan 0.000 0.514 288 E N 1.812 122.019 120.200 0.013 0.000 2.411 288 E HA 0.155 4.527 4.350 0.038 0.000 0.228 288 E C -0.349 176.261 176.600 0.017 0.000 1.169 288 E CA -0.320 56.089 56.400 0.014 0.000 1.421 288 E CB 0.444 30.154 29.700 0.016 0.000 1.333 288 E HN 0.288 nan 8.360 nan 0.000 0.434 289 S N 0.924 116.633 115.700 0.015 0.000 2.523 289 S HA 0.156 4.649 4.470 0.038 0.000 0.275 289 S C -0.184 174.429 174.600 0.021 0.000 1.281 289 S CA -0.381 57.829 58.200 0.016 0.000 1.050 289 S CB 1.233 64.439 63.200 0.010 0.000 0.937 289 S HN 0.237 nan 8.310 nan 0.000 0.492 290 D N 0.019 120.438 120.400 0.031 0.000 3.351 290 D HA 0.272 4.934 4.640 0.038 0.000 0.189 290 D C 0.520 176.887 176.300 0.112 0.000 1.205 290 D CA -0.304 53.729 54.000 0.055 0.000 1.458 290 D CB 0.183 41.012 40.800 0.048 0.000 1.026 290 D HN 0.689 nan 8.370 nan 0.000 0.166 291 H N -1.063 118.002 119.070 -0.009 0.000 3.749 291 H HA 0.223 4.801 4.556 0.038 0.000 0.266 291 H C 0.227 175.552 175.328 -0.004 0.000 1.123 291 H CA 0.132 56.174 56.048 -0.011 0.000 1.189 291 H CB 0.575 30.331 29.762 -0.010 0.000 1.731 291 H HN 0.031 nan 8.280 nan 0.000 0.863 292 E N 0.537 120.693 120.200 -0.074 0.000 2.166 292 E HA 0.139 4.511 4.350 0.038 0.000 0.192 292 E C -0.312 176.244 176.600 -0.073 0.000 0.967 292 E CA 0.351 56.689 56.400 -0.103 0.000 0.840 292 E CB 0.433 30.112 29.700 -0.034 0.000 0.795 292 E HN 0.493 nan 8.360 nan 0.000 0.470 293 N N 1.662 120.344 118.700 -0.030 0.000 2.648 293 N HA 0.191 4.953 4.740 0.038 0.000 0.261 293 N C -2.503 173.009 175.510 0.003 0.000 1.138 293 N CA -1.187 51.857 53.050 -0.010 0.000 0.804 293 N CB 1.984 40.474 38.487 0.005 0.000 1.237 293 N HN -0.178 nan 8.380 nan 0.000 0.532 294 P HA -0.063 nan 4.420 nan 0.000 0.216 294 P C 0.350 177.650 177.300 -0.001 0.000 1.150 294 P CA 1.515 64.614 63.100 -0.002 0.000 0.837 294 P CB 0.278 31.968 31.700 -0.016 0.000 0.786 295 T N -1.414 113.151 114.554 0.018 0.000 3.584 295 T HA 0.209 4.581 4.350 0.038 0.000 0.259 295 T C -0.019 174.706 174.700 0.042 0.000 1.009 295 T CA -0.522 61.595 62.100 0.029 0.000 1.103 295 T CB -0.082 68.814 68.868 0.048 0.000 1.099 295 T HN -0.045 nan 8.240 nan 0.000 0.539 296 R N 2.405 122.926 120.500 0.034 0.000 2.210 296 R HA 0.497 4.860 4.340 0.038 0.000 0.338 296 R C -0.950 175.372 176.300 0.036 0.000 1.062 296 R CA -0.304 55.820 56.100 0.039 0.000 0.902 296 R CB 0.090 30.408 30.300 0.031 0.000 1.050 296 R HN 0.373 nan 8.270 nan 0.000 0.461 297 L N 5.233 126.482 121.223 0.044 0.000 2.356 297 L HA 0.469 4.831 4.340 0.038 0.000 0.277 297 L C -0.712 176.177 176.870 0.032 0.000 0.996 297 L CA -1.297 53.562 54.840 0.032 0.000 0.822 297 L CB 2.025 44.101 42.059 0.029 0.000 1.256 297 L HN 0.324 nan 8.230 nan 0.000 0.413 298 V N 4.351 124.276 119.914 0.019 0.000 2.427 298 V HA 0.443 4.586 4.120 0.038 0.000 0.286 298 V C 0.071 176.163 176.094 -0.002 0.000 1.034 298 V CA -0.279 62.031 62.300 0.017 0.000 0.893 298 V CB 1.916 33.749 31.823 0.016 0.000 0.982 298 V HN 0.518 nan 8.190 nan 0.000 0.452 299 I N 5.082 125.646 120.570 -0.011 0.000 2.390 299 I HA 0.357 4.550 4.170 0.038 0.000 0.283 299 I C -0.478 175.622 176.117 -0.028 0.000 1.016 299 I CA -0.627 60.651 61.300 -0.035 0.000 1.151 299 I CB 1.753 39.708 38.000 -0.075 0.000 1.293 299 I HN 0.308 nan 8.210 nan 0.000 0.458 300 V N 8.441 128.341 119.914 -0.024 0.000 2.385 300 V HA 0.315 4.458 4.120 0.038 0.000 0.269 300 V C -1.919 174.158 176.094 -0.027 0.000 1.043 300 V CA -1.613 60.677 62.300 -0.017 0.000 0.906 300 V CB 0.638 32.454 31.823 -0.011 0.000 0.995 300 V HN 0.529 nan 8.190 nan 0.000 0.467 301 P HA 0.303 nan 4.420 nan 0.000 0.276 301 P C 0.658 177.943 177.300 -0.025 0.000 1.252 301 P CA -0.504 62.577 63.100 -0.032 0.000 0.802 301 P CB 1.363 33.046 31.700 -0.028 0.000 1.035 302 R N 0.148 120.630 120.500 -0.029 0.000 2.094 302 R HA -0.091 4.272 4.340 0.038 0.000 0.239 302 R C 1.506 177.796 176.300 -0.017 0.000 1.137 302 R CA 2.375 58.461 56.100 -0.024 0.000 0.943 302 R CB -0.345 29.938 30.300 -0.028 0.000 0.850 302 R HN 0.748 nan 8.270 nan 0.000 0.433 303 S N -2.224 113.467 115.700 -0.015 0.000 3.379 303 S HA 0.120 4.612 4.470 0.038 0.000 0.273 303 S C 0.576 175.174 174.600 -0.004 0.000 1.027 303 S CA -0.638 57.557 58.200 -0.009 0.000 1.098 303 S CB 0.761 63.954 63.200 -0.010 0.000 1.317 303 S HN 0.299 nan 8.310 nan 0.000 0.715 304 N N -0.484 118.215 118.700 -0.001 0.000 2.463 304 N HA 0.105 4.867 4.740 0.038 0.000 0.183 304 N C 0.486 176.000 175.510 0.006 0.000 1.064 304 N CA -0.224 52.829 53.050 0.005 0.000 0.879 304 N CB 0.335 38.825 38.487 0.005 0.000 1.148 304 N HN 0.271 nan 8.380 nan 0.000 0.451 305 R N 1.710 122.211 120.500 0.002 0.000 2.586 305 R HA 0.267 4.629 4.340 0.038 0.000 0.306 305 R C -0.608 175.691 176.300 -0.002 0.000 1.079 305 R CA -0.207 55.895 56.100 0.002 0.000 1.083 305 R CB 0.227 30.527 30.300 0.001 0.000 1.306 305 R HN 0.049 nan 8.270 nan 0.000 0.567 306 V N 1.733 121.644 119.914 -0.005 0.000 2.488 306 V HA -0.001 4.141 4.120 0.038 0.000 0.277 306 V C 0.441 176.533 176.094 -0.004 0.000 1.046 306 V CA -0.636 61.656 62.300 -0.014 0.000 0.986 306 V CB 1.422 33.230 31.823 -0.025 0.000 0.989 306 V HN 0.089 nan 8.190 nan 0.000 0.475 307 D N 4.509 124.907 120.400 -0.005 0.000 2.455 307 D HA 0.083 4.745 4.640 0.038 0.000 0.234 307 D C 0.829 177.129 176.300 -0.001 0.000 1.224 307 D CA -0.073 53.933 54.000 0.010 0.000 0.999 307 D CB 0.809 41.617 40.800 0.014 0.000 1.072 307 D HN 0.471 nan 8.370 nan 0.000 0.514 308 M N 2.065 121.671 119.600 0.010 0.000 2.460 308 M HA -0.040 4.463 4.480 0.038 0.000 0.263 308 M C 0.891 177.160 176.300 -0.051 0.000 1.071 308 M CA 1.183 56.464 55.300 -0.032 0.000 1.096 308 M CB 0.037 32.638 32.600 0.002 0.000 1.408 308 M HN 0.267 nan 8.290 nan 0.000 0.463 309 D N -1.024 119.419 120.400 0.072 0.000 2.144 309 D HA -0.186 4.477 4.640 0.038 0.000 0.200 309 D C 1.887 178.216 176.300 0.047 0.000 0.978 309 D CA 0.973 55.058 54.000 0.141 0.000 0.833 309 D CB -0.092 40.838 40.800 0.216 0.000 0.961 309 D HN 0.458 nan 8.370 nan 0.000 0.470 310 Q N 0.315 120.128 119.800 0.022 0.000 2.084 310 Q HA -0.138 4.225 4.340 0.038 0.000 0.202 310 Q C 2.125 178.099 176.000 -0.043 0.000 0.978 310 Q CA 1.003 56.810 55.803 0.007 0.000 0.844 310 Q CB 0.141 28.881 28.738 0.003 0.000 0.898 310 Q HN 0.203 nan 8.270 nan 0.000 0.426 311 V N 0.685 120.539 119.914 -0.100 0.000 2.261 311 V HA -0.312 3.830 4.120 0.038 0.000 0.246 311 V C 2.429 178.362 176.094 -0.267 0.000 1.047 311 V CA 1.517 63.723 62.300 -0.157 0.000 1.015 311 V CB -0.572 31.146 31.823 -0.174 0.000 0.642 311 V HN 0.426 nan 8.190 nan 0.000 0.446 312 M N 0.351 119.688 119.600 -0.439 0.000 2.106 312 M HA -0.196 4.307 4.480 0.038 0.000 0.259 312 M C 1.918 177.731 176.300 -0.812 0.000 1.068 312 M CA 1.724 56.511 55.300 -0.856 0.000 1.100 312 M CB -1.824 30.090 32.600 -1.143 0.000 1.351 312 M HN 0.398 nan 8.290 nan 0.000 0.404 313 N N -0.782 117.775 118.700 -0.238 0.000 2.512 313 N HA -0.138 4.625 4.740 0.038 0.000 0.183 313 N C 1.644 177.153 175.510 -0.002 0.000 1.073 313 N CA 0.560 53.621 53.050 0.019 0.000 0.911 313 N CB -0.194 38.371 38.487 0.130 0.000 0.964 313 N HN 0.446 nan 8.380 nan 0.000 0.447 314 H N -0.433 118.536 119.070 -0.169 0.000 2.431 314 H HA 0.083 4.662 4.556 0.038 0.000 0.295 314 H C 1.466 176.696 175.328 -0.163 0.000 1.038 314 H CA 0.678 56.652 56.048 -0.123 0.000 1.360 314 H CB 0.167 29.862 29.762 -0.113 0.000 1.433 314 H HN 0.059 nan 8.280 nan 0.000 0.536 315 L N 0.617 121.670 121.223 -0.283 0.000 2.056 315 L HA -0.116 4.247 4.340 0.038 0.000 0.207 315 L C 2.268 178.970 176.870 -0.280 0.000 1.078 315 L CA 1.151 55.785 54.840 -0.343 0.000 0.749 315 L CB -1.247 40.555 42.059 -0.428 0.000 0.901 315 L HN 0.193 nan 8.230 nan 0.000 0.433 316 F N -0.384 119.505 119.950 -0.102 0.000 2.269 316 F HA -0.106 4.443 4.527 0.037 0.000 0.301 316 F C 2.409 178.161 175.800 -0.079 0.000 1.082 316 F CA 0.775 58.736 58.000 -0.066 0.000 1.360 316 F CB -1.403 37.586 39.000 -0.019 0.000 1.041 316 F HN 0.087 nan 8.300 nan 0.000 0.512 317 A N -0.619 122.213 122.820 0.021 0.000 2.123 317 A HA 0.008 4.351 4.320 0.038 0.000 0.214 317 A C 1.829 179.338 177.584 -0.125 0.000 1.152 317 A CA 1.647 53.656 52.037 -0.047 0.000 0.728 317 A CB -0.892 18.062 19.000 -0.077 0.000 0.814 317 A HN 0.372 nan 8.150 nan 0.000 0.464 318 T N -4.232 110.203 114.554 -0.197 0.000 3.087 318 T HA 0.282 4.654 4.350 0.038 0.000 0.283 318 T C 0.479 175.107 174.700 -0.121 0.000 0.956 318 T CA 0.651 62.631 62.100 -0.200 0.000 0.894 318 T CB -0.286 68.368 68.868 -0.358 0.000 1.160 318 T HN 0.537 nan 8.240 nan 0.000 0.532 319 T N -1.557 112.946 114.554 -0.086 0.000 2.864 319 T HA 0.521 4.894 4.350 0.038 0.000 0.289 319 T C -0.757 173.939 174.700 -0.006 0.000 1.082 319 T CA -0.597 61.475 62.100 -0.046 0.000 1.009 319 T CB 1.749 70.586 68.868 -0.052 0.000 1.234 319 T HN -0.214 nan 8.240 nan 0.000 0.526 320 D N 0.381 120.780 120.400 -0.002 0.000 2.319 320 D HA 0.189 4.851 4.640 0.038 0.000 0.230 320 D C 1.634 177.971 176.300 0.061 0.000 1.094 320 D CA 0.107 54.112 54.000 0.010 0.000 0.856 320 D CB -0.198 40.590 40.800 -0.021 0.000 0.915 320 D HN 0.436 nan 8.370 nan 0.000 0.517 321 L N 0.176 121.463 121.223 0.108 0.000 2.549 321 L HA -0.033 4.330 4.340 0.038 0.000 0.230 321 L C 0.921 177.946 176.870 0.259 0.000 1.162 321 L CA 0.829 55.795 54.840 0.210 0.000 0.834 321 L CB -0.009 42.204 42.059 0.256 0.000 0.947 321 L HN 0.006 nan 8.230 nan 0.000 0.452 322 E N 0.088 120.398 120.200 0.183 0.000 2.321 322 E HA 0.418 4.790 4.350 0.038 0.000 0.278 322 E C -1.039 175.597 176.600 0.061 0.000 0.902 322 E CA -0.774 55.682 56.400 0.093 0.000 0.758 322 E CB 1.854 31.601 29.700 0.078 0.000 1.213 322 E HN -0.120 nan 8.360 nan 0.000 0.426 323 K N 1.920 122.361 120.400 0.068 0.000 2.502 323 K HA 0.432 4.775 4.320 0.038 0.000 0.257 323 K C -1.356 175.252 176.600 0.015 0.000 0.938 323 K CA -0.698 55.579 56.287 -0.016 0.000 0.819 323 K CB 2.176 34.596 32.500 -0.133 0.000 1.333 323 K HN 0.492 nan 8.250 nan 0.000 0.434 324 S N 1.644 117.283 115.700 -0.103 0.000 2.584 324 S HA 0.403 4.896 4.470 0.038 0.000 0.273 324 S C -1.347 173.127 174.600 -0.210 0.000 1.311 324 S CA -0.223 57.956 58.200 -0.036 0.000 1.034 324 S CB 0.260 63.435 63.200 -0.042 0.000 0.939 324 S HN 0.364 nan 8.310 nan 0.000 0.513 325 Y N 1.081 121.368 120.300 -0.021 0.000 2.329 325 Y HA 0.382 4.954 4.550 0.037 0.000 0.328 325 Y C 0.312 176.220 175.900 0.012 0.000 0.992 325 Y CA -0.818 57.282 58.100 -0.001 0.000 1.151 325 Y CB 0.932 39.397 38.460 0.009 0.000 1.150 325 Y HN 0.548 nan 8.280 nan 0.000 0.450 326 R N 3.639 124.203 120.500 0.106 0.000 2.537 326 R HA 0.433 4.796 4.340 0.038 0.000 0.280 326 R C -1.139 175.213 176.300 0.086 0.000 1.058 326 R CA 0.193 56.334 56.100 0.068 0.000 1.057 326 R CB 0.297 30.617 30.300 0.035 0.000 0.973 326 R HN 0.760 nan 8.270 nan 0.000 0.438 327 I N 3.810 124.409 120.570 0.047 0.000 2.418 327 I HA 0.215 4.408 4.170 0.038 0.000 0.287 327 I C -0.726 175.403 176.117 0.019 0.000 1.008 327 I CA -0.751 60.568 61.300 0.032 0.000 1.104 327 I CB 1.881 39.872 38.000 -0.015 0.000 1.264 327 I HN 0.596 nan 8.210 nan 0.000 0.438 328 N N 6.675 125.395 118.700 0.033 0.000 2.607 328 N HA 0.276 5.038 4.740 0.038 0.000 0.271 328 N C -1.059 174.474 175.510 0.039 0.000 1.142 328 N CA -0.442 52.625 53.050 0.029 0.000 0.810 328 N CB 1.067 39.571 38.487 0.029 0.000 1.306 328 N HN 0.352 nan 8.380 nan 0.000 0.536 329 L N 2.353 123.600 121.223 0.040 0.000 2.821 329 L HA 0.260 4.623 4.340 0.038 0.000 0.239 329 L C 0.750 177.641 176.870 0.035 0.000 1.391 329 L CA 0.088 54.956 54.840 0.047 0.000 1.231 329 L CB -1.657 40.438 42.059 0.059 0.000 1.598 329 L HN 0.558 nan 8.230 nan 0.000 0.428 330 N N 2.116 120.837 118.700 0.035 0.000 2.472 330 N HA 0.576 5.339 4.740 0.038 0.000 0.277 330 N C -0.330 175.200 175.510 0.033 0.000 1.081 330 N CA -0.150 52.919 53.050 0.032 0.000 0.973 330 N CB 0.767 39.273 38.487 0.033 0.000 1.105 330 N HN 0.342 nan 8.380 nan 0.000 0.470 331 M N 1.162 120.781 119.600 0.031 0.000 2.773 331 M HA 0.444 4.947 4.480 0.038 0.000 0.270 331 M C -1.686 174.644 176.300 0.050 0.000 1.238 331 M CA -0.882 54.438 55.300 0.034 0.000 0.832 331 M CB 1.329 33.933 32.600 0.006 0.000 1.672 331 M HN 0.128 nan 8.290 nan 0.000 0.480 332 I N 1.871 122.492 120.570 0.086 0.000 2.325 332 I HA 0.524 4.716 4.170 0.038 0.000 0.291 332 I C 0.806 177.015 176.117 0.154 0.000 1.019 332 I CA -0.265 61.113 61.300 0.131 0.000 1.302 332 I CB 1.432 39.534 38.000 0.169 0.000 1.401 332 I HN 0.869 nan 8.210 nan 0.000 0.485 333 G N 5.305 114.171 108.800 0.110 0.000 2.621 333 G HA2 0.341 4.324 3.960 0.038 0.000 0.271 333 G HA3 0.341 4.324 3.960 0.038 0.000 0.271 333 G C 0.780 175.794 174.900 0.190 0.000 1.236 333 G CA -0.598 44.556 45.100 0.089 0.000 0.958 333 G HN 0.665 nan 8.290 nan 0.000 0.512 334 L N 0.068 121.380 121.223 0.149 0.000 2.362 334 L HA -0.011 4.351 4.340 0.038 0.000 0.219 334 L C 2.085 179.042 176.870 0.144 0.000 1.134 334 L CA 1.086 56.054 54.840 0.214 0.000 0.807 334 L CB -0.183 41.968 42.059 0.154 0.000 0.927 334 L HN 0.675 nan 8.230 nan 0.000 0.447 335 D N -0.447 120.011 120.400 0.098 0.000 2.340 335 D HA -0.010 4.653 4.640 0.038 0.000 0.220 335 D C 1.447 177.781 176.300 0.057 0.000 1.039 335 D CA 0.740 54.779 54.000 0.064 0.000 0.866 335 D CB 0.095 40.923 40.800 0.046 0.000 0.913 335 D HN 0.214 nan 8.370 nan 0.000 0.523 336 G N 0.627 109.474 108.800 0.079 0.000 2.155 336 G HA2 -0.328 3.654 3.960 0.038 0.000 0.257 336 G HA3 -0.328 3.654 3.960 0.038 0.000 0.257 336 G C 0.184 175.111 174.900 0.045 0.000 0.983 336 G CA 0.057 45.188 45.100 0.052 0.000 0.676 336 G HN 0.461 nan 8.290 nan 0.000 0.528 337 R N 0.378 120.909 120.500 0.052 0.000 2.540 337 R HA 0.506 4.869 4.340 0.038 0.000 0.287 337 R C -2.553 173.776 176.300 0.047 0.000 0.980 337 R CA -1.949 54.176 56.100 0.041 0.000 0.966 337 R CB 1.327 31.647 30.300 0.034 0.000 1.106 337 R HN 0.056 nan 8.270 nan 0.000 0.480 338 P HA 0.218 nan 4.420 nan 0.000 0.275 338 P C -1.506 175.814 177.300 0.033 0.000 1.227 338 P CA -0.237 62.887 63.100 0.040 0.000 0.781 338 P CB 1.322 33.043 31.700 0.034 0.000 0.906 339 A N 2.410 125.249 122.820 0.032 0.000 2.547 339 A HA 0.428 4.771 4.320 0.038 0.000 0.298 339 A C -0.959 176.639 177.584 0.025 0.000 1.062 339 A CA -0.719 51.334 52.037 0.026 0.000 0.748 339 A CB 1.053 20.068 19.000 0.025 0.000 1.288 339 A HN 0.412 nan 8.150 nan 0.000 0.396 340 V N 3.662 123.590 119.914 0.024 0.000 2.508 340 V HA 0.602 4.745 4.120 0.038 0.000 0.281 340 V C -0.017 176.091 176.094 0.023 0.000 1.041 340 V CA 0.440 62.754 62.300 0.024 0.000 1.016 340 V CB 0.389 32.225 31.823 0.023 0.000 0.984 340 V HN 0.957 nan 8.190 nan 0.000 0.478 341 K N 4.328 124.743 120.400 0.025 0.000 2.409 341 K HA 0.534 4.876 4.320 0.038 0.000 0.252 341 K C -0.614 176.008 176.600 0.037 0.000 1.036 341 K CA -0.982 55.320 56.287 0.025 0.000 0.871 341 K CB 1.755 34.264 32.500 0.015 0.000 1.374 341 K HN 0.639 nan 8.250 nan 0.000 0.459 342 N N 0.049 118.770 118.700 0.036 0.000 2.424 342 N HA 0.018 4.780 4.740 0.038 0.000 0.257 342 N C 0.727 176.260 175.510 0.039 0.000 1.250 342 N CA -0.537 52.545 53.050 0.053 0.000 0.946 342 N CB 0.619 39.128 38.487 0.037 0.000 1.175 342 N HN 0.419 nan 8.380 nan 0.000 0.477 343 L N 1.927 123.185 121.223 0.058 0.000 2.013 343 L HA -0.159 4.204 4.340 0.038 0.000 0.212 343 L C 1.842 178.663 176.870 -0.082 0.000 1.073 343 L CA 1.596 56.392 54.840 -0.075 0.000 0.753 343 L CB -0.655 41.263 42.059 -0.234 0.000 0.890 343 L HN 0.629 nan 8.230 nan 0.000 0.432 344 L N -0.738 120.460 121.223 -0.041 0.000 1.955 344 L HA -0.289 4.074 4.340 0.038 0.000 0.213 344 L C 2.583 179.445 176.870 -0.013 0.000 1.072 344 L CA 1.920 56.743 54.840 -0.028 0.000 0.755 344 L CB -0.485 41.568 42.059 -0.011 0.000 0.888 344 L HN 0.341 nan 8.230 nan 0.000 0.432 345 E N -0.087 120.112 120.200 -0.001 0.000 2.070 345 E HA -0.274 4.098 4.350 0.038 0.000 0.197 345 E C 2.167 178.769 176.600 0.004 0.000 1.004 345 E CA 1.647 58.050 56.400 0.006 0.000 0.805 345 E CB -0.181 29.525 29.700 0.011 0.000 0.744 345 E HN 0.463 nan 8.360 nan 0.000 0.451 346 I N 0.333 120.898 120.570 -0.009 0.000 2.163 346 I HA -0.275 3.918 4.170 0.038 0.000 0.243 346 I C 2.253 178.378 176.117 0.013 0.000 1.085 346 I CA 0.709 61.998 61.300 -0.019 0.000 1.347 346 I CB -0.102 37.862 38.000 -0.060 0.000 1.044 346 I HN 0.135 nan 8.210 nan 0.000 0.408 347 L N -0.040 121.180 121.223 -0.004 0.000 2.179 347 L HA -0.081 4.282 4.340 0.038 0.000 0.208 347 L C 2.592 179.528 176.870 0.110 0.000 1.096 347 L CA 1.573 56.437 54.840 0.040 0.000 0.779 347 L CB -0.558 41.482 42.059 -0.032 0.000 0.922 347 L HN 0.112 nan 8.230 nan 0.000 0.443 348 S N -0.935 114.799 115.700 0.056 0.000 2.345 348 S HA -0.194 4.299 4.470 0.038 0.000 0.220 348 S C 1.866 176.496 174.600 0.049 0.000 1.031 348 S CA 1.205 59.432 58.200 0.045 0.000 0.996 348 S CB -0.266 62.946 63.200 0.019 0.000 0.882 348 S HN 0.454 nan 8.310 nan 0.000 0.445 349 E N -0.360 119.869 120.200 0.048 0.000 2.153 349 E HA -0.181 4.192 4.350 0.038 0.000 0.194 349 E C 1.764 178.393 176.600 0.049 0.000 0.988 349 E CA 0.855 57.275 56.400 0.033 0.000 0.811 349 E CB -0.112 29.598 29.700 0.015 0.000 0.746 349 E HN 0.665 nan 8.360 nan 0.000 0.466 350 W N 1.078 122.337 121.300 -0.068 0.000 2.358 350 W HA -0.150 4.532 4.660 0.036 0.000 0.303 350 W C 1.765 178.305 176.519 0.036 0.000 1.208 350 W CA 1.216 58.528 57.345 -0.054 0.000 1.274 350 W CB -0.356 29.042 29.460 -0.105 0.000 1.138 350 W HN 0.020 nan 8.180 nan 0.000 0.515 351 L N -0.195 121.039 121.223 0.019 0.000 2.043 351 L HA -0.260 4.103 4.340 0.038 0.000 0.212 351 L C 2.478 179.201 176.870 -0.245 0.000 1.075 351 L CA 1.618 56.363 54.840 -0.158 0.000 0.752 351 L CB -1.332 40.731 42.059 0.007 0.000 0.891 351 L HN -0.006 nan 8.230 nan 0.000 0.432 352 V N -0.819 119.015 119.914 -0.134 0.000 2.626 352 V HA -0.282 3.861 4.120 0.038 0.000 0.252 352 V C 2.097 178.108 176.094 -0.138 0.000 1.067 352 V CA 1.466 63.699 62.300 -0.111 0.000 1.081 352 V CB -0.232 31.565 31.823 -0.044 0.000 0.686 352 V HN 0.429 nan 8.190 nan 0.000 0.468 353 F N 1.320 121.059 119.950 -0.351 0.000 2.187 353 F HA 0.024 4.574 4.527 0.039 0.000 0.295 353 F C 2.349 177.860 175.800 -0.482 0.000 1.091 353 F CA 1.902 59.679 58.000 -0.372 0.000 1.308 353 F CB -0.312 38.446 39.000 -0.403 0.000 1.030 353 F HN 0.148 nan 8.300 nan 0.000 0.487 354 R N 1.134 121.170 120.500 -0.774 0.000 2.081 354 R HA -0.075 4.288 4.340 0.038 0.000 0.235 354 R C 2.360 178.353 176.300 -0.513 0.000 1.131 354 R CA 1.575 57.189 56.100 -0.810 0.000 0.960 354 R CB -0.681 28.948 30.300 -1.118 0.000 0.856 354 R HN 0.238 nan 8.270 nan 0.000 0.436 355 R N 0.086 120.352 120.500 -0.390 0.000 2.080 355 R HA -0.170 4.193 4.340 0.038 0.000 0.236 355 R C 1.997 178.148 176.300 -0.249 0.000 1.137 355 R CA 1.931 57.879 56.100 -0.253 0.000 0.943 355 R CB -0.739 29.453 30.300 -0.180 0.000 0.846 355 R HN 0.352 nan 8.270 nan 0.000 0.431 356 D N -0.214 120.016 120.400 -0.283 0.000 2.104 356 D HA -0.136 4.527 4.640 0.038 0.000 0.194 356 D C 1.521 177.634 176.300 -0.312 0.000 0.994 356 D CA 1.921 55.767 54.000 -0.256 0.000 0.830 356 D CB -0.038 40.621 40.800 -0.235 0.000 0.959 356 D HN 0.096 nan 8.370 nan 0.000 0.452 357 T N -0.583 113.673 114.554 -0.497 0.000 2.720 357 T HA -0.139 4.234 4.350 0.038 0.000 0.268 357 T C 2.083 176.625 174.700 -0.264 0.000 1.037 357 T CA 1.403 63.230 62.100 -0.455 0.000 1.144 357 T CB -0.420 68.075 68.868 -0.620 0.000 0.864 357 T HN 0.016 nan 8.240 nan 0.000 0.444 358 V N 1.625 121.397 119.914 -0.237 0.000 2.307 358 V HA -0.133 4.010 4.120 0.038 0.000 0.245 358 V C 2.722 178.753 176.094 -0.105 0.000 1.045 358 V CA 1.301 63.513 62.300 -0.148 0.000 1.024 358 V CB -0.517 31.227 31.823 -0.133 0.000 0.651 358 V HN 0.316 nan 8.190 nan 0.000 0.449 359 R N 0.461 120.893 120.500 -0.113 0.000 2.134 359 R HA -0.218 4.144 4.340 0.038 0.000 0.248 359 R C 2.359 178.628 176.300 -0.051 0.000 1.143 359 R CA 1.861 57.915 56.100 -0.076 0.000 0.957 359 R CB -0.812 29.440 30.300 -0.081 0.000 0.867 359 R HN 0.524 nan 8.270 nan 0.000 0.441 360 R N -0.015 120.444 120.500 -0.069 0.000 2.070 360 R HA -0.080 4.283 4.340 0.038 0.000 0.233 360 R C 2.506 178.813 176.300 0.010 0.000 1.137 360 R CA 1.359 57.441 56.100 -0.031 0.000 0.945 360 R CB -0.399 29.862 30.300 -0.065 0.000 0.845 360 R HN 0.214 nan 8.270 nan 0.000 0.430 361 R N 0.983 121.465 120.500 -0.030 0.000 2.096 361 R HA -0.161 4.202 4.340 0.038 0.000 0.240 361 R C 2.292 178.632 176.300 0.067 0.000 1.139 361 R CA 1.539 57.638 56.100 -0.002 0.000 0.952 361 R CB -0.281 29.994 30.300 -0.042 0.000 0.854 361 R HN 0.193 nan 8.270 nan 0.000 0.436 362 L N -0.164 121.077 121.223 0.030 0.000 2.005 362 L HA -0.158 4.205 4.340 0.038 0.000 0.207 362 L C 2.111 179.011 176.870 0.050 0.000 1.072 362 L CA 1.726 56.586 54.840 0.034 0.000 0.744 362 L CB -0.716 41.345 42.059 0.003 0.000 0.895 362 L HN 0.321 nan 8.230 nan 0.000 0.433 363 N N -0.870 117.855 118.700 0.042 0.000 2.137 363 N HA -0.286 4.476 4.740 0.038 0.000 0.190 363 N C 1.889 177.436 175.510 0.061 0.000 1.017 363 N CA 1.297 54.369 53.050 0.036 0.000 0.859 363 N CB -0.206 38.296 38.487 0.025 0.000 1.002 363 N HN 0.250 nan 8.380 nan 0.000 0.428 364 Y N 1.613 121.902 120.300 -0.017 0.000 2.207 364 Y HA -0.233 4.340 4.550 0.038 0.000 0.287 364 Y C 2.461 178.356 175.900 -0.009 0.000 1.156 364 Y CA 1.552 59.646 58.100 -0.010 0.000 1.182 364 Y CB -0.063 38.395 38.460 -0.003 0.000 0.979 364 Y HN -0.088 nan 8.280 nan 0.000 0.521 365 R N 0.134 120.661 120.500 0.044 0.000 2.075 365 R HA -0.073 4.290 4.340 0.038 0.000 0.226 365 R C 2.034 178.291 176.300 -0.071 0.000 1.114 365 R CA 1.412 57.490 56.100 -0.036 0.000 0.972 365 R CB -1.100 29.227 30.300 0.045 0.000 0.869 365 R HN 0.449 nan 8.270 nan 0.000 0.437 366 L N 1.147 122.348 121.223 -0.037 0.000 1.989 366 L HA -0.126 4.236 4.340 0.038 0.000 0.211 366 L C 2.082 178.914 176.870 -0.063 0.000 1.071 366 L CA 2.030 56.847 54.840 -0.038 0.000 0.749 366 L CB -0.869 41.177 42.059 -0.021 0.000 0.890 366 L HN 0.259 nan 8.230 nan 0.000 0.431 367 E N -0.063 120.088 120.200 -0.082 0.000 2.118 367 E HA -0.288 4.085 4.350 0.038 0.000 0.195 367 E C 2.259 178.788 176.600 -0.118 0.000 0.992 367 E CA 1.295 57.638 56.400 -0.094 0.000 0.804 367 E CB -0.074 29.568 29.700 -0.097 0.000 0.741 367 E HN 0.495 nan 8.360 nan 0.000 0.458 368 K N -0.018 120.277 120.400 -0.174 0.000 2.217 368 K HA -0.053 4.290 4.320 0.038 0.000 0.202 368 K C 1.999 178.539 176.600 -0.099 0.000 1.051 368 K CA 0.644 56.827 56.287 -0.174 0.000 0.952 368 K CB 0.169 32.505 32.500 -0.272 0.000 0.736 368 K HN -0.016 nan 8.250 nan 0.000 0.453 369 V N 0.604 120.472 119.914 -0.076 0.000 2.575 369 V HA -0.068 4.075 4.120 0.038 0.000 0.242 369 V C 1.837 177.915 176.094 -0.027 0.000 1.045 369 V CA 0.830 63.103 62.300 -0.045 0.000 1.065 369 V CB -0.025 31.777 31.823 -0.035 0.000 0.717 369 V HN 0.255 nan 8.190 nan 0.000 0.467 370 L N -0.017 121.188 121.223 -0.030 0.000 2.079 370 L HA -0.231 4.132 4.340 0.038 0.000 0.210 370 L C 2.624 179.498 176.870 0.007 0.000 1.081 370 L CA 2.042 56.873 54.840 -0.015 0.000 0.752 370 L CB -0.608 41.432 42.059 -0.033 0.000 0.896 370 L HN 0.280 nan 8.230 nan 0.000 0.433 371 K N -0.443 119.950 120.400 -0.012 0.000 2.002 371 K HA -0.223 4.119 4.320 0.038 0.000 0.209 371 K C 2.303 178.933 176.600 0.049 0.000 1.048 371 K CA 1.313 57.610 56.287 0.017 0.000 0.930 371 K CB -0.141 32.347 32.500 -0.020 0.000 0.714 371 K HN 0.003 nan 8.250 nan 0.000 0.438 372 R N 1.571 122.077 120.500 0.010 0.000 2.096 372 R HA -0.059 4.304 4.340 0.038 0.000 0.235 372 R C 1.983 178.291 176.300 0.014 0.000 1.127 372 R CA 1.274 57.377 56.100 0.004 0.000 0.968 372 R CB -0.642 29.648 30.300 -0.016 0.000 0.861 372 R HN 0.160 nan 8.270 nan 0.000 0.440 373 L N -0.867 120.370 121.223 0.022 0.000 2.046 373 L HA -0.186 4.176 4.340 0.038 0.000 0.208 373 L C 2.385 179.285 176.870 0.050 0.000 1.077 373 L CA 1.813 56.668 54.840 0.024 0.000 0.747 373 L CB -0.675 41.397 42.059 0.021 0.000 0.896 373 L HN 0.358 nan 8.230 nan 0.000 0.432 374 H N 0.287 119.345 119.070 -0.020 0.000 2.319 374 H HA -0.205 4.374 4.556 0.038 0.000 0.297 374 H C 2.164 177.485 175.328 -0.012 0.000 1.097 374 H CA 1.959 57.999 56.048 -0.014 0.000 1.285 374 H CB 0.087 29.840 29.762 -0.015 0.000 1.368 374 H HN 0.064 nan 8.280 nan 0.000 0.495 375 I N 0.234 120.796 120.570 -0.015 0.000 2.179 375 I HA -0.244 3.948 4.170 0.038 0.000 0.242 375 I C 2.534 178.610 176.117 -0.070 0.000 1.088 375 I CA 1.069 62.328 61.300 -0.068 0.000 1.357 375 I CB -1.067 36.926 38.000 -0.011 0.000 1.051 375 I HN 0.360 nan 8.210 nan 0.000 0.409 376 L N 0.207 121.405 121.223 -0.041 0.000 2.042 376 L HA -0.240 4.123 4.340 0.038 0.000 0.210 376 L C 2.585 179.430 176.870 -0.042 0.000 1.076 376 L CA 1.432 56.252 54.840 -0.034 0.000 0.749 376 L CB -0.555 41.483 42.059 -0.034 0.000 0.893 376 L HN 0.346 nan 8.230 nan 0.000 0.432 377 E N 0.249 120.411 120.200 -0.063 0.000 2.038 377 E HA -0.215 4.157 4.350 0.038 0.000 0.195 377 E C 2.132 178.680 176.600 -0.087 0.000 1.000 377 E CA 1.348 57.706 56.400 -0.070 0.000 0.803 377 E CB -0.197 29.460 29.700 -0.072 0.000 0.750 377 E HN 0.482 nan 8.360 nan 0.000 0.448 378 G N 1.479 110.191 108.800 -0.147 0.000 2.469 378 G HA2 -0.261 3.721 3.960 0.038 0.000 0.219 378 G HA3 -0.261 3.721 3.960 0.038 0.000 0.219 378 G C 1.634 176.486 174.900 -0.079 0.000 1.150 378 G CA 0.823 45.839 45.100 -0.141 0.000 0.763 378 G HN 0.208 nan 8.290 nan 0.000 0.561 379 L N -0.600 120.610 121.223 -0.021 0.000 2.046 379 L HA -0.042 4.320 4.340 0.038 0.000 0.208 379 L C 2.758 179.784 176.870 0.261 0.000 1.077 379 L CA 0.430 55.324 54.840 0.089 0.000 0.747 379 L CB -0.445 41.709 42.059 0.158 0.000 0.896 379 L HN 0.168 nan 8.230 nan 0.000 0.432 380 L N -0.620 120.697 121.223 0.157 0.000 2.201 380 L HA -0.129 4.234 4.340 0.038 0.000 0.212 380 L C 2.325 179.248 176.870 0.089 0.000 1.105 380 L CA 1.293 56.217 54.840 0.139 0.000 0.775 380 L CB -0.414 41.637 42.059 -0.014 0.000 0.913 380 L HN -0.050 nan 8.230 nan 0.000 0.440 381 V N -0.753 119.145 119.914 -0.026 0.000 2.515 381 V HA -0.233 3.910 4.120 0.038 0.000 0.250 381 V C 2.599 178.535 176.094 -0.262 0.000 1.058 381 V CA 1.385 63.589 62.300 -0.161 0.000 1.064 381 V CB -0.941 30.745 31.823 -0.229 0.000 0.675 381 V HN 0.515 nan 8.190 nan 0.000 0.461 382 A N -0.569 122.134 122.820 -0.195 0.000 1.897 382 A HA -0.091 4.251 4.320 0.038 0.000 0.215 382 A C 2.003 179.466 177.584 -0.200 0.000 1.181 382 A CA 1.279 53.157 52.037 -0.266 0.000 0.620 382 A CB -0.640 18.191 19.000 -0.282 0.000 0.821 382 A HN 0.444 nan 8.150 nan 0.000 0.443 383 F N 0.419 120.302 119.950 -0.112 0.000 2.126 383 F HA -0.155 4.395 4.527 0.037 0.000 0.299 383 F C 2.044 177.801 175.800 -0.071 0.000 1.096 383 F CA 1.425 59.382 58.000 -0.072 0.000 1.255 383 F CB -0.292 38.674 39.000 -0.057 0.000 0.997 383 F HN 0.096 nan 8.300 nan 0.000 0.479 384 L N -0.697 120.588 121.223 0.104 0.000 2.395 384 L HA -0.061 4.302 4.340 0.038 0.000 0.218 384 L C 0.591 177.458 176.870 -0.005 0.000 1.130 384 L CA 0.910 55.772 54.840 0.037 0.000 0.826 384 L CB -0.425 41.643 42.059 0.015 0.000 0.941 384 L HN 0.219 nan 8.230 nan 0.000 0.451 385 N N -0.026 118.631 118.700 -0.072 0.000 2.451 385 N HA 0.173 4.935 4.740 0.038 0.000 0.271 385 N C 1.361 176.842 175.510 -0.049 0.000 1.410 385 N CA 0.081 53.093 53.050 -0.062 0.000 0.884 385 N CB 0.896 39.262 38.487 -0.202 0.000 1.332 385 N HN 0.274 nan 8.380 nan 0.000 0.498 386 I N -0.516 120.022 120.570 -0.054 0.000 2.099 386 I HA -0.253 3.940 4.170 0.038 0.000 0.239 386 I C 1.748 177.861 176.117 -0.007 0.000 1.066 386 I CA 1.366 62.631 61.300 -0.059 0.000 1.324 386 I CB -0.431 37.525 38.000 -0.074 0.000 1.037 386 I HN -0.077 nan 8.210 nan 0.000 0.401 387 D N 0.775 121.182 120.400 0.011 0.000 2.157 387 D HA -0.291 4.371 4.640 0.038 0.000 0.191 387 D C 2.094 178.424 176.300 0.050 0.000 1.004 387 D CA 2.334 56.349 54.000 0.025 0.000 0.854 387 D CB -0.210 40.606 40.800 0.027 0.000 0.936 387 D HN 0.599 nan 8.370 nan 0.000 0.446 388 E N 0.277 120.533 120.200 0.093 0.000 2.047 388 E HA -0.131 4.242 4.350 0.038 0.000 0.191 388 E C 2.217 178.927 176.600 0.183 0.000 0.987 388 E CA 0.534 57.025 56.400 0.151 0.000 0.799 388 E CB 0.048 29.900 29.700 0.253 0.000 0.752 388 E HN 0.029 nan 8.360 nan 0.000 0.449 389 V N 0.547 120.578 119.914 0.196 0.000 2.343 389 V HA -0.231 3.912 4.120 0.038 0.000 0.247 389 V C 2.058 178.199 176.094 0.078 0.000 1.051 389 V CA 1.708 64.112 62.300 0.174 0.000 1.036 389 V CB -0.259 31.590 31.823 0.043 0.000 0.654 389 V HN 0.303 nan 8.190 nan 0.000 0.451 390 I N 0.123 120.714 120.570 0.034 0.000 2.179 390 I HA -0.233 3.959 4.170 0.038 0.000 0.242 390 I C 2.565 178.695 176.117 0.021 0.000 1.088 390 I CA 2.124 63.432 61.300 0.013 0.000 1.357 390 I CB -0.413 37.585 38.000 -0.005 0.000 1.051 390 I HN 0.367 nan 8.210 nan 0.000 0.409 391 E N 0.399 120.616 120.200 0.028 0.000 2.160 391 E HA -0.262 4.111 4.350 0.038 0.000 0.195 391 E C 2.209 178.821 176.600 0.019 0.000 0.991 391 E CA 1.511 57.924 56.400 0.021 0.000 0.810 391 E CB -0.169 29.544 29.700 0.022 0.000 0.742 391 E HN 0.604 nan 8.360 nan 0.000 0.466 392 I N -0.174 120.414 120.570 0.031 0.000 2.333 392 I HA -0.177 4.015 4.170 0.038 0.000 0.246 392 I C 2.044 178.172 176.117 0.019 0.000 1.106 392 I CA 0.935 62.248 61.300 0.021 0.000 1.411 392 I CB 0.056 38.069 38.000 0.022 0.000 1.082 392 I HN 0.038 nan 8.210 nan 0.000 0.420 393 I N 1.062 121.648 120.570 0.026 0.000 2.208 393 I HA -0.283 3.909 4.170 0.038 0.000 0.245 393 I C 2.700 178.821 176.117 0.007 0.000 1.097 393 I CA 1.150 62.460 61.300 0.016 0.000 1.363 393 I CB -0.474 37.533 38.000 0.012 0.000 1.051 393 I HN 0.256 nan 8.210 nan 0.000 0.413 394 R N 0.648 121.152 120.500 0.006 0.000 2.066 394 R HA -0.090 4.272 4.340 0.038 0.000 0.232 394 R C 1.738 178.038 176.300 0.001 0.000 1.131 394 R CA 1.588 57.690 56.100 0.002 0.000 0.955 394 R CB -0.946 29.355 30.300 0.002 0.000 0.851 394 R HN 0.467 nan 8.270 nan 0.000 0.432 395 N N -0.023 118.678 118.700 0.001 0.000 2.373 395 N HA -0.021 4.742 4.740 0.038 0.000 0.181 395 N C 0.112 175.620 175.510 -0.003 0.000 1.082 395 N CA 0.071 53.120 53.050 -0.002 0.000 0.885 395 N CB 0.602 39.088 38.487 -0.003 0.000 0.977 395 N HN 0.202 nan 8.380 nan 0.000 0.462 396 E N -0.033 120.166 120.200 -0.002 0.000 2.221 396 E HA 0.111 4.484 4.350 0.038 0.000 0.268 396 E C -0.140 176.459 176.600 -0.002 0.000 0.933 396 E CA -0.690 55.708 56.400 -0.004 0.000 0.809 396 E CB 1.101 30.797 29.700 -0.006 0.000 1.190 396 E HN -0.003 nan 8.360 nan 0.000 0.406 397 D N 1.888 122.287 120.400 -0.003 0.000 2.137 397 D HA -0.197 4.465 4.640 0.038 0.000 0.193 397 D C 0.096 176.396 176.300 0.000 0.000 0.993 397 D CA 1.511 55.510 54.000 -0.002 0.000 0.846 397 D CB 0.037 40.835 40.800 -0.002 0.000 0.990 397 D HN 0.313 nan 8.370 nan 0.000 0.448 398 E N 0.442 120.642 120.200 0.000 0.000 2.070 398 E HA 0.191 4.564 4.350 0.038 0.000 0.261 398 E C -1.916 174.687 176.600 0.005 0.000 0.926 398 E CA -1.837 54.565 56.400 0.003 0.000 0.760 398 E CB 1.854 31.555 29.700 0.003 0.000 1.133 398 E HN -0.143 nan 8.360 nan 0.000 0.420 399 P HA -0.185 nan 4.420 nan 0.000 0.215 399 P C 0.968 178.280 177.300 0.021 0.000 1.157 399 P CA 1.112 64.221 63.100 0.014 0.000 0.868 399 P CB 0.330 32.039 31.700 0.015 0.000 0.788 400 K N -0.451 119.960 120.400 0.019 0.000 1.978 400 K HA -0.136 4.206 4.320 0.038 0.000 0.214 400 K C -0.604 176.012 176.600 0.026 0.000 1.049 400 K CA 2.339 58.641 56.287 0.025 0.000 0.939 400 K CB -1.617 30.894 32.500 0.019 0.000 0.721 400 K HN 0.058 nan 8.250 nan 0.000 0.441 401 P HA -0.192 nan 4.420 nan 0.000 0.217 401 P C 0.669 177.974 177.300 0.009 0.000 1.151 401 P CA 1.930 65.038 63.100 0.014 0.000 0.849 401 P CB -0.043 31.661 31.700 0.007 0.000 0.787 402 A N -1.247 121.576 122.820 0.005 0.000 1.968 402 A HA -0.086 4.256 4.320 0.038 0.000 0.217 402 A C 2.170 179.750 177.584 -0.007 0.000 1.169 402 A CA 1.052 53.083 52.037 -0.009 0.000 0.638 402 A CB -1.405 17.588 19.000 -0.012 0.000 0.812 402 A HN 0.137 nan 8.150 nan 0.000 0.446 403 L N -0.438 120.807 121.223 0.036 0.000 2.179 403 L HA -0.111 4.251 4.340 0.038 0.000 0.208 403 L C 2.688 179.636 176.870 0.129 0.000 1.096 403 L CA 1.275 56.178 54.840 0.105 0.000 0.779 403 L CB -0.332 41.808 42.059 0.135 0.000 0.922 403 L HN 0.599 nan 8.230 nan 0.000 0.443 404 M N -2.962 116.683 119.600 0.076 0.000 2.506 404 M HA -0.023 4.479 4.480 0.038 0.000 0.260 404 M C 2.237 178.563 176.300 0.043 0.000 1.104 404 M CA 0.922 56.266 55.300 0.074 0.000 1.112 404 M CB -0.366 32.269 32.600 0.057 0.000 1.401 404 M HN 0.010 nan 8.290 nan 0.000 0.473 405 S N 1.324 117.028 115.700 0.005 0.000 2.361 405 S HA -0.031 4.462 4.470 0.038 0.000 0.214 405 S C 1.346 175.910 174.600 -0.061 0.000 1.034 405 S CA 0.638 58.823 58.200 -0.026 0.000 1.025 405 S CB -0.031 63.145 63.200 -0.041 0.000 0.996 405 S HN 0.505 nan 8.310 nan 0.000 0.422 406 R N -0.932 119.477 120.500 -0.153 0.000 2.822 406 R HA 0.154 4.516 4.340 0.038 0.000 0.277 406 R C 0.512 176.688 176.300 -0.206 0.000 1.102 406 R CA 0.750 56.670 56.100 -0.300 0.000 1.207 406 R CB -0.179 29.763 30.300 -0.597 0.000 1.139 406 R HN 0.602 nan 8.270 nan 0.000 0.557 407 F N -1.071 118.879 119.950 -0.001 0.000 2.666 407 F HA -0.326 4.223 4.527 0.038 0.000 0.547 407 F C 1.224 177.024 175.800 0.001 0.000 0.517 407 F CA 0.944 58.943 58.000 -0.001 0.000 0.821 407 F CB -1.558 37.438 39.000 -0.006 0.000 1.627 407 F HN 0.878 nan 8.300 nan 0.000 0.259 408 G N 1.532 110.422 108.800 0.151 0.000 2.324 408 G HA2 -0.209 3.774 3.960 0.038 0.000 0.292 408 G HA3 -0.209 3.774 3.960 0.038 0.000 0.292 408 G C -0.259 174.703 174.900 0.103 0.000 1.079 408 G CA 0.316 45.474 45.100 0.097 0.000 1.026 408 G HN 0.486 nan 8.290 nan 0.000 0.506 409 L N -0.342 120.948 121.223 0.110 0.000 2.544 409 L HA 0.873 5.236 4.340 0.038 0.000 0.256 409 L C 1.268 178.188 176.870 0.084 0.000 1.097 409 L CA -0.400 54.488 54.840 0.081 0.000 0.812 409 L CB 1.325 43.431 42.059 0.077 0.000 1.440 409 L HN 0.444 nan 8.230 nan 0.000 0.496 410 T N -4.081 110.527 114.554 0.090 0.000 2.932 410 T HA 0.233 4.606 4.350 0.038 0.000 0.289 410 T C 0.155 174.907 174.700 0.087 0.000 1.039 410 T CA -0.740 61.433 62.100 0.122 0.000 1.024 410 T CB 1.497 70.520 68.868 0.257 0.000 1.090 410 T HN 0.592 nan 8.240 nan 0.000 0.496 411 E N 0.007 120.249 120.200 0.070 0.000 2.413 411 E HA 0.019 4.392 4.350 0.038 0.000 0.204 411 E C 0.890 177.519 176.600 0.049 0.000 1.275 411 E CA 0.522 56.951 56.400 0.048 0.000 1.090 411 E CB -0.342 29.379 29.700 0.035 0.000 1.145 411 E HN 0.801 nan 8.360 nan 0.000 0.472 412 T N -2.741 111.853 114.554 0.065 0.000 3.200 412 T HA 0.035 4.407 4.350 0.038 0.000 0.259 412 T C 1.249 175.975 174.700 0.044 0.000 0.855 412 T CA -0.033 62.105 62.100 0.063 0.000 0.865 412 T CB -0.032 68.891 68.868 0.092 0.000 1.270 412 T HN 0.102 nan 8.240 nan 0.000 0.563 413 Q N 0.747 120.562 119.800 0.025 0.000 2.033 413 Q HA 0.263 4.626 4.340 0.038 0.000 0.196 413 Q C 2.623 178.602 176.000 -0.035 0.000 0.970 413 Q CA 1.406 57.169 55.803 -0.067 0.000 0.828 413 Q CB -0.210 28.428 28.738 -0.167 0.000 0.895 413 Q HN 0.577 nan 8.270 nan 0.000 0.440 414 A N 1.044 123.863 122.820 -0.002 0.000 1.948 414 A HA -0.285 4.058 4.320 0.038 0.000 0.220 414 A C 1.903 179.490 177.584 0.005 0.000 1.177 414 A CA 1.918 53.962 52.037 0.012 0.000 0.636 414 A CB -0.522 18.500 19.000 0.037 0.000 0.815 414 A HN 0.319 nan 8.150 nan 0.000 0.449 415 E N 0.228 120.433 120.200 0.008 0.000 2.031 415 E HA -0.074 4.299 4.350 0.038 0.000 0.193 415 E C 2.077 178.674 176.600 -0.005 0.000 0.994 415 E CA 1.717 58.120 56.400 0.005 0.000 0.800 415 E CB -0.570 29.137 29.700 0.011 0.000 0.752 415 E HN 0.469 nan 8.360 nan 0.000 0.447 416 A N 0.306 123.119 122.820 -0.012 0.000 1.978 416 A HA -0.148 4.195 4.320 0.038 0.000 0.220 416 A C 2.338 179.903 177.584 -0.032 0.000 1.170 416 A CA 1.571 53.595 52.037 -0.022 0.000 0.636 416 A CB -0.729 18.253 19.000 -0.030 0.000 0.810 416 A HN 0.366 nan 8.150 nan 0.000 0.448 417 I N -0.503 120.043 120.570 -0.040 0.000 2.252 417 I HA -0.227 3.966 4.170 0.038 0.000 0.245 417 I C 2.239 178.330 176.117 -0.043 0.000 1.102 417 I CA 0.974 62.239 61.300 -0.059 0.000 1.385 417 I CB -0.305 37.653 38.000 -0.069 0.000 1.064 417 I HN 0.260 nan 8.210 nan 0.000 0.414 418 L N 0.246 121.457 121.223 -0.021 0.000 2.201 418 L HA -0.148 4.215 4.340 0.038 0.000 0.212 418 L C 2.201 179.067 176.870 -0.006 0.000 1.105 418 L CA 1.016 55.849 54.840 -0.011 0.000 0.775 418 L CB -0.452 41.606 42.059 -0.001 0.000 0.913 418 L HN 0.272 nan 8.230 nan 0.000 0.440 419 E N 0.111 120.310 120.200 -0.002 0.000 2.489 419 E HA 0.089 4.462 4.350 0.038 0.000 0.193 419 E C 0.656 177.281 176.600 0.042 0.000 1.057 419 E CA 0.008 56.416 56.400 0.014 0.000 0.866 419 E CB 0.212 29.918 29.700 0.010 0.000 0.916 419 E HN 0.428 nan 8.360 nan 0.000 0.500 420 L N 2.324 123.565 121.223 0.031 0.000 2.513 420 L HA -0.004 4.359 4.340 0.038 0.000 0.272 420 L C 0.715 177.646 176.870 0.101 0.000 1.187 420 L CA 0.450 55.346 54.840 0.094 0.000 0.895 420 L CB 0.331 42.380 42.059 -0.016 0.000 1.147 420 L HN -0.259 nan 8.230 nan 0.000 0.483 421 K N 3.908 124.434 120.400 0.209 0.000 2.237 421 K HA 0.159 4.502 4.320 0.038 0.000 0.270 421 K C 1.054 177.562 176.600 -0.152 0.000 1.015 421 K CA -0.537 55.700 56.287 -0.083 0.000 0.949 421 K CB 1.223 33.532 32.500 -0.317 0.000 0.976 421 K HN 0.552 nan 8.250 nan 0.000 0.472 422 L N 2.375 123.520 121.223 -0.130 0.000 2.129 422 L HA -0.248 4.114 4.340 0.038 0.000 0.212 422 L C 2.439 179.239 176.870 -0.116 0.000 1.087 422 L CA 1.535 56.311 54.840 -0.106 0.000 0.757 422 L CB -0.590 41.422 42.059 -0.079 0.000 0.896 422 L HN 0.665 nan 8.230 nan 0.000 0.434 423 R N -0.960 119.427 120.500 -0.188 0.000 2.193 423 R HA -0.162 4.201 4.340 0.038 0.000 0.229 423 R C 1.830 178.071 176.300 -0.099 0.000 1.110 423 R CA 1.245 57.247 56.100 -0.164 0.000 0.988 423 R CB -0.695 29.480 30.300 -0.210 0.000 0.871 423 R HN 0.407 nan 8.270 nan 0.000 0.458 424 H N 0.248 119.326 119.070 0.015 0.000 2.546 424 H HA 0.046 4.625 4.556 0.038 0.000 0.277 424 H C 1.135 176.535 175.328 0.120 0.000 1.004 424 H CA 0.594 56.680 56.048 0.065 0.000 1.231 424 H CB 0.235 30.020 29.762 0.037 0.000 1.382 424 H HN 0.139 nan 8.280 nan 0.000 0.580 425 L N 0.569 121.845 121.223 0.089 0.000 2.599 425 L HA 0.188 4.550 4.340 0.038 0.000 0.230 425 L C 1.223 178.223 176.870 0.217 0.000 1.141 425 L CA -0.023 54.837 54.840 0.034 0.000 0.877 425 L CB -0.816 41.167 42.059 -0.126 0.000 1.009 425 L HN 0.040 nan 8.230 nan 0.000 0.447 426 A N -0.822 122.113 122.820 0.192 0.000 2.407 426 A HA 0.156 4.499 4.320 0.038 0.000 0.248 426 A C 1.549 179.224 177.584 0.152 0.000 1.082 426 A CA -0.226 51.892 52.037 0.136 0.000 0.785 426 A CB 0.320 19.370 19.000 0.084 0.000 1.020 426 A HN 0.283 nan 8.150 nan 0.000 0.489 427 K N 0.420 120.874 120.400 0.090 0.000 2.032 427 K HA -0.252 4.091 4.320 0.038 0.000 0.218 427 K C 1.754 178.360 176.600 0.010 0.000 1.054 427 K CA 2.004 58.317 56.287 0.043 0.000 0.941 427 K CB -0.452 32.062 32.500 0.024 0.000 0.720 427 K HN 0.593 nan 8.250 nan 0.000 0.449 428 L N 1.649 122.884 121.223 0.020 0.000 2.081 428 L HA -0.215 4.148 4.340 0.038 0.000 0.212 428 L C 2.211 179.082 176.870 0.003 0.000 1.080 428 L CA 1.800 56.644 54.840 0.007 0.000 0.754 428 L CB -0.303 41.767 42.059 0.018 0.000 0.893 428 L HN 0.186 nan 8.230 nan 0.000 0.433 429 E N -0.474 119.752 120.200 0.043 0.000 2.106 429 E HA -0.257 4.116 4.350 0.038 0.000 0.192 429 E C 2.084 178.645 176.600 -0.066 0.000 0.984 429 E CA 1.124 57.561 56.400 0.062 0.000 0.806 429 E CB 0.031 29.853 29.700 0.204 0.000 0.750 429 E HN 0.640 nan 8.360 nan 0.000 0.458 430 E N -0.075 120.008 120.200 -0.196 0.000 2.072 430 E HA -0.127 4.246 4.350 0.038 0.000 0.191 430 E C 2.099 178.514 176.600 -0.309 0.000 0.985 430 E CA 0.770 56.847 56.400 -0.537 0.000 0.801 430 E CB 0.032 29.382 29.700 -0.583 0.000 0.750 430 E HN 0.202 nan 8.360 nan 0.000 0.452 431 M N 0.224 119.722 119.600 -0.170 0.000 2.229 431 M HA -0.143 4.360 4.480 0.038 0.000 0.264 431 M C 2.155 178.397 176.300 -0.097 0.000 1.063 431 M CA 1.260 56.491 55.300 -0.116 0.000 1.114 431 M CB -0.045 32.513 32.600 -0.071 0.000 1.387 431 M HN -0.032 nan 8.290 nan 0.000 0.420 432 K N 0.539 120.888 120.400 -0.085 0.000 2.097 432 K HA -0.092 4.250 4.320 0.038 0.000 0.206 432 K C 1.776 178.326 176.600 -0.083 0.000 1.049 432 K CA 1.199 57.448 56.287 -0.064 0.000 0.933 432 K CB -0.148 32.330 32.500 -0.037 0.000 0.717 432 K HN 0.336 nan 8.250 nan 0.000 0.442 433 I N 0.561 121.052 120.570 -0.130 0.000 2.286 433 I HA -0.225 3.967 4.170 0.038 0.000 0.245 433 I C 2.318 178.359 176.117 -0.126 0.000 1.104 433 I CA 1.022 62.240 61.300 -0.137 0.000 1.397 433 I CB -0.093 37.786 38.000 -0.202 0.000 1.072 433 I HN 0.106 nan 8.210 nan 0.000 0.417 434 R N 0.594 121.005 120.500 -0.148 0.000 2.096 434 R HA -0.099 4.264 4.340 0.038 0.000 0.235 434 R C 2.346 178.600 176.300 -0.076 0.000 1.127 434 R CA 1.347 57.380 56.100 -0.112 0.000 0.968 434 R CB -0.710 29.519 30.300 -0.118 0.000 0.861 434 R HN 0.440 nan 8.270 nan 0.000 0.440 435 G N 1.147 109.905 108.800 -0.071 0.000 2.552 435 G HA2 -0.339 3.643 3.960 0.038 0.000 0.216 435 G HA3 -0.339 3.643 3.960 0.038 0.000 0.216 435 G C 1.209 176.083 174.900 -0.043 0.000 1.240 435 G CA 0.771 45.841 45.100 -0.050 0.000 0.796 435 G HN 0.373 nan 8.290 nan 0.000 0.568 436 E N -0.078 120.096 120.200 -0.044 0.000 2.147 436 E HA -0.303 4.069 4.350 0.038 0.000 0.199 436 E C 2.399 178.978 176.600 -0.035 0.000 1.005 436 E CA 1.620 57.998 56.400 -0.037 0.000 0.810 436 E CB -0.197 29.480 29.700 -0.038 0.000 0.736 436 E HN 0.656 nan 8.360 nan 0.000 0.460 437 Q N 0.167 119.941 119.800 -0.043 0.000 2.084 437 Q HA -0.164 4.199 4.340 0.038 0.000 0.202 437 Q C 2.268 178.249 176.000 -0.031 0.000 0.978 437 Q CA 1.962 57.742 55.803 -0.038 0.000 0.844 437 Q CB -0.086 28.623 28.738 -0.048 0.000 0.898 437 Q HN 0.339 nan 8.270 nan 0.000 0.426 438 S N -0.264 115.416 115.700 -0.033 0.000 2.383 438 S HA -0.159 4.334 4.470 0.038 0.000 0.227 438 S C 1.569 176.156 174.600 -0.021 0.000 1.026 438 S CA 1.179 59.363 58.200 -0.027 0.000 0.981 438 S CB -0.261 62.922 63.200 -0.029 0.000 0.818 438 S HN 0.431 nan 8.310 nan 0.000 0.472 439 E N 1.488 121.675 120.200 -0.022 0.000 2.051 439 E HA -0.011 4.362 4.350 0.038 0.000 0.192 439 E C 2.068 178.658 176.600 -0.016 0.000 0.991 439 E CA 1.430 57.820 56.400 -0.017 0.000 0.799 439 E CB -0.412 29.277 29.700 -0.017 0.000 0.748 439 E HN 0.494 nan 8.360 nan 0.000 0.449 440 L N 1.376 122.589 121.223 -0.018 0.000 2.275 440 L HA -0.141 4.221 4.340 0.038 0.000 0.215 440 L C 2.487 179.349 176.870 -0.014 0.000 1.119 440 L CA 0.883 55.713 54.840 -0.016 0.000 0.790 440 L CB -0.523 41.526 42.059 -0.017 0.000 0.919 440 L HN 0.248 nan 8.230 nan 0.000 0.443 441 E N 0.408 120.600 120.200 -0.014 0.000 2.158 441 E HA -0.172 4.200 4.350 0.038 0.000 0.191 441 E C 1.777 178.371 176.600 -0.011 0.000 0.982 441 E CA 0.482 56.875 56.400 -0.011 0.000 0.823 441 E CB -0.104 29.589 29.700 -0.012 0.000 0.766 441 E HN 0.434 nan 8.360 nan 0.000 0.468 442 K N 1.230 121.623 120.400 -0.011 0.000 2.009 442 K HA -0.210 4.133 4.320 0.038 0.000 0.210 442 K C 2.292 178.886 176.600 -0.009 0.000 1.049 442 K CA 1.836 58.117 56.287 -0.010 0.000 0.929 442 K CB -0.168 32.325 32.500 -0.010 0.000 0.714 442 K HN 0.190 nan 8.250 nan 0.000 0.440 443 E N 1.210 121.404 120.200 -0.009 0.000 2.110 443 E HA -0.232 4.141 4.350 0.038 0.000 0.193 443 E C 2.256 178.850 176.600 -0.009 0.000 0.988 443 E CA 0.938 57.333 56.400 -0.008 0.000 0.804 443 E CB 0.073 29.768 29.700 -0.009 0.000 0.745 443 E HN 0.162 nan 8.360 nan 0.000 0.458 444 R N 0.398 120.892 120.500 -0.010 0.000 2.083 444 R HA -0.174 4.189 4.340 0.038 0.000 0.237 444 R C 1.560 177.854 176.300 -0.009 0.000 1.137 444 R CA 2.060 58.153 56.100 -0.011 0.000 0.951 444 R CB -0.193 30.101 30.300 -0.010 0.000 0.851 444 R HN 0.213 nan 8.270 nan 0.000 0.434 445 D N 0.319 120.714 120.400 -0.009 0.000 2.097 445 D HA -0.202 4.461 4.640 0.038 0.000 0.195 445 D C 1.858 178.153 176.300 -0.008 0.000 0.989 445 D CA 1.182 55.177 54.000 -0.008 0.000 0.827 445 D CB -0.466 40.329 40.800 -0.008 0.000 0.966 445 D HN 0.231 nan 8.370 nan 0.000 0.456 446 Q N 0.681 120.477 119.800 -0.008 0.000 1.978 446 Q HA -0.192 4.170 4.340 0.038 0.000 0.211 446 Q C 2.257 178.252 176.000 -0.007 0.000 1.013 446 Q CA 1.664 57.463 55.803 -0.007 0.000 0.869 446 Q CB -0.561 28.174 28.738 -0.005 0.000 0.953 446 Q HN 0.315 nan 8.270 nan 0.000 0.415 447 L N -0.364 120.855 121.223 -0.007 0.000 2.046 447 L HA -0.219 4.144 4.340 0.038 0.000 0.208 447 L C 2.708 179.572 176.870 -0.010 0.000 1.077 447 L CA 1.644 56.480 54.840 -0.007 0.000 0.747 447 L CB -0.534 41.522 42.059 -0.006 0.000 0.896 447 L HN 0.364 nan 8.230 nan 0.000 0.432 448 Q N -0.144 119.650 119.800 -0.010 0.000 2.170 448 Q HA -0.131 4.231 4.340 0.038 0.000 0.203 448 Q C 2.342 178.335 176.000 -0.012 0.000 0.976 448 Q CA 1.304 57.100 55.803 -0.012 0.000 0.858 448 Q CB -0.334 28.397 28.738 -0.011 0.000 0.907 448 Q HN 0.617 nan 8.270 nan 0.000 0.433 449 G N 0.872 109.665 108.800 -0.011 0.000 2.418 449 G HA2 -0.226 3.757 3.960 0.038 0.000 0.217 449 G HA3 -0.226 3.757 3.960 0.038 0.000 0.217 449 G C 1.376 176.269 174.900 -0.012 0.000 1.158 449 G CA 0.601 45.695 45.100 -0.011 0.000 0.771 449 G HN 0.237 nan 8.290 nan 0.000 0.545 450 I N 0.178 120.740 120.570 -0.013 0.000 2.252 450 I HA -0.061 4.132 4.170 0.038 0.000 0.245 450 I C 2.449 178.555 176.117 -0.019 0.000 1.102 450 I CA 0.627 61.918 61.300 -0.016 0.000 1.385 450 I CB -0.106 37.884 38.000 -0.015 0.000 1.064 450 I HN 0.082 nan 8.210 nan 0.000 0.414 451 L N 0.294 121.506 121.223 -0.018 0.000 2.551 451 L HA -0.030 4.332 4.340 0.038 0.000 0.228 451 L C 2.201 179.059 176.870 -0.020 0.000 1.153 451 L CA 0.518 55.345 54.840 -0.021 0.000 0.851 451 L CB -0.269 41.779 42.059 -0.019 0.000 0.959 451 L HN 0.211 nan 8.230 nan 0.000 0.451 452 A N -2.351 120.459 122.820 -0.017 0.000 2.343 452 A HA 0.214 4.557 4.320 0.038 0.000 0.223 452 A C 0.959 178.534 177.584 -0.016 0.000 1.214 452 A CA 0.037 52.065 52.037 -0.016 0.000 0.900 452 A CB 0.327 19.319 19.000 -0.013 0.000 0.942 452 A HN 0.147 nan 8.150 nan 0.000 0.507 453 S N -0.232 115.458 115.700 -0.017 0.000 2.530 453 S HA 0.271 4.764 4.470 0.038 0.000 0.322 453 S C 0.652 175.240 174.600 -0.020 0.000 1.085 453 S CA -0.506 57.684 58.200 -0.016 0.000 1.096 453 S CB 1.330 64.522 63.200 -0.014 0.000 0.988 453 S HN 0.507 nan 8.310 nan 0.000 0.466 454 E N 3.110 123.298 120.200 -0.019 0.000 2.153 454 E HA -0.145 4.227 4.350 0.038 0.000 0.194 454 E C 2.068 178.656 176.600 -0.020 0.000 0.988 454 E CA 0.791 57.178 56.400 -0.022 0.000 0.811 454 E CB 0.125 29.812 29.700 -0.020 0.000 0.746 454 E HN 0.596 nan 8.360 nan 0.000 0.466 455 R N 0.788 121.279 120.500 -0.016 0.000 2.062 455 R HA -0.099 4.264 4.340 0.038 0.000 0.229 455 R C 2.023 178.314 176.300 -0.014 0.000 1.128 455 R CA 1.303 57.395 56.100 -0.014 0.000 0.960 455 R CB 0.005 30.298 30.300 -0.011 0.000 0.855 455 R HN -0.021 nan 8.270 nan 0.000 0.432 456 K N 0.134 120.525 120.400 -0.015 0.000 2.097 456 K HA -0.156 4.187 4.320 0.038 0.000 0.206 456 K C 2.076 178.665 176.600 -0.018 0.000 1.049 456 K CA 1.622 57.901 56.287 -0.014 0.000 0.933 456 K CB -0.153 32.339 32.500 -0.013 0.000 0.717 456 K HN 0.124 nan 8.250 nan 0.000 0.442 457 M N 1.650 121.236 119.600 -0.022 0.000 2.159 457 M HA -0.145 4.358 4.480 0.038 0.000 0.263 457 M C 1.278 177.560 176.300 -0.030 0.000 1.063 457 M CA 1.692 56.975 55.300 -0.030 0.000 1.110 457 M CB -0.230 32.348 32.600 -0.037 0.000 1.374 457 M HN 0.123 nan 8.290 nan 0.000 0.411 458 N N -0.242 118.442 118.700 -0.025 0.000 2.142 458 N HA -0.145 4.617 4.740 0.038 0.000 0.186 458 N C 1.177 176.678 175.510 -0.015 0.000 1.023 458 N CA 1.255 54.292 53.050 -0.022 0.000 0.852 458 N CB -0.293 38.183 38.487 -0.018 0.000 0.998 458 N HN 0.462 nan 8.380 nan 0.000 0.424 459 N N 1.623 120.316 118.700 -0.012 0.000 2.149 459 N HA -0.138 4.624 4.740 0.038 0.000 0.188 459 N C 1.831 177.337 175.510 -0.008 0.000 1.019 459 N CA 0.613 53.658 53.050 -0.008 0.000 0.857 459 N CB -0.520 37.962 38.487 -0.008 0.000 0.997 459 N HN 0.214 nan 8.380 nan 0.000 0.426 460 L N 1.134 122.349 121.223 -0.012 0.000 2.017 460 L HA -0.031 4.331 4.340 0.038 0.000 0.208 460 L C 1.980 178.843 176.870 -0.012 0.000 1.073 460 L CA 1.356 56.188 54.840 -0.013 0.000 0.745 460 L CB -0.798 41.249 42.059 -0.019 0.000 0.894 460 L HN 0.065 nan 8.230 nan 0.000 0.432 461 L N -0.656 120.556 121.223 -0.018 0.000 2.056 461 L HA -0.197 4.166 4.340 0.038 0.000 0.207 461 L C 2.599 179.473 176.870 0.007 0.000 1.078 461 L CA 1.422 56.253 54.840 -0.015 0.000 0.749 461 L CB -0.721 41.318 42.059 -0.032 0.000 0.901 461 L HN 0.202 nan 8.230 nan 0.000 0.433 462 K N 0.413 120.817 120.400 0.006 0.000 2.020 462 K HA -0.240 4.103 4.320 0.038 0.000 0.212 462 K C 2.182 178.791 176.600 0.015 0.000 1.050 462 K CA 1.715 58.010 56.287 0.013 0.000 0.929 462 K CB -0.219 32.285 32.500 0.007 0.000 0.714 462 K HN 0.249 nan 8.250 nan 0.000 0.443 463 K N 0.915 121.321 120.400 0.010 0.000 2.063 463 K HA -0.178 4.164 4.320 0.038 0.000 0.208 463 K C 2.096 178.707 176.600 0.019 0.000 1.048 463 K CA 1.582 57.876 56.287 0.012 0.000 0.928 463 K CB -0.022 32.482 32.500 0.007 0.000 0.713 463 K HN 0.286 nan 8.250 nan 0.000 0.442 464 E N 0.870 121.082 120.200 0.019 0.000 2.028 464 E HA -0.167 4.205 4.350 0.038 0.000 0.191 464 E C 2.217 178.840 176.600 0.038 0.000 0.988 464 E CA 0.894 57.310 56.400 0.027 0.000 0.799 464 E CB -0.236 29.474 29.700 0.016 0.000 0.755 464 E HN 0.211 nan 8.360 nan 0.000 0.447 465 L N 1.139 122.388 121.223 0.042 0.000 2.013 465 L HA -0.285 4.078 4.340 0.038 0.000 0.212 465 L C 2.753 179.644 176.870 0.036 0.000 1.073 465 L CA 1.568 56.437 54.840 0.049 0.000 0.753 465 L CB -0.404 41.693 42.059 0.064 0.000 0.890 465 L HN 0.156 nan 8.230 nan 0.000 0.432 466 Q N -0.811 119.007 119.800 0.030 0.000 2.061 466 Q HA -0.226 4.137 4.340 0.038 0.000 0.204 466 Q C 2.395 178.416 176.000 0.034 0.000 0.984 466 Q CA 1.834 57.652 55.803 0.025 0.000 0.846 466 Q CB -0.265 28.483 28.738 0.018 0.000 0.902 466 Q HN 0.592 nan 8.270 nan 0.000 0.421 467 A N 1.122 123.967 122.820 0.041 0.000 1.898 467 A HA -0.214 4.129 4.320 0.038 0.000 0.216 467 A C 1.607 179.245 177.584 0.090 0.000 1.181 467 A CA 1.753 53.820 52.037 0.050 0.000 0.620 467 A CB -0.466 18.562 19.000 0.047 0.000 0.819 467 A HN 0.279 nan 8.150 nan 0.000 0.442 468 D N 0.319 120.790 120.400 0.119 0.000 2.117 468 D HA -0.075 4.588 4.640 0.038 0.000 0.197 468 D C 2.215 178.634 176.300 0.198 0.000 0.987 468 D CA 1.504 55.636 54.000 0.219 0.000 0.829 468 D CB -0.507 40.336 40.800 0.071 0.000 0.961 468 D HN 0.427 nan 8.370 nan 0.000 0.460 469 A N 0.746 123.618 122.820 0.086 0.000 1.883 469 A HA -0.252 4.091 4.320 0.038 0.000 0.217 469 A C 2.194 179.816 177.584 0.062 0.000 1.186 469 A CA 1.929 53.998 52.037 0.054 0.000 0.624 469 A CB -0.654 18.358 19.000 0.020 0.000 0.822 469 A HN 0.149 nan 8.150 nan 0.000 0.444 470 Q N -0.571 119.259 119.800 0.049 0.000 2.172 470 Q HA 0.085 4.448 4.340 0.038 0.000 0.200 470 Q C 1.932 177.935 176.000 0.006 0.000 0.964 470 Q CA 1.795 57.613 55.803 0.025 0.000 0.855 470 Q CB -0.439 28.307 28.738 0.014 0.000 0.918 470 Q HN 0.574 nan 8.270 nan 0.000 0.444 471 A N -1.286 121.537 122.820 0.004 0.000 1.903 471 A HA -0.023 4.320 4.320 0.038 0.000 0.213 471 A C 1.011 178.436 177.584 -0.266 0.000 1.185 471 A CA 0.927 52.867 52.037 -0.161 0.000 0.628 471 A CB -0.307 18.545 19.000 -0.246 0.000 0.830 471 A HN 0.475 nan 8.150 nan 0.000 0.446 472 Y N -0.388 119.921 120.300 0.015 0.000 2.481 472 Y HA 0.362 4.935 4.550 0.038 0.000 0.247 472 Y C 1.586 177.526 175.900 0.068 0.000 1.151 472 Y CA -0.477 57.651 58.100 0.046 0.000 1.238 472 Y CB 0.039 38.501 38.460 0.003 0.000 1.179 472 Y HN 0.302 nan 8.280 nan 0.000 0.524 473 G N 0.371 109.266 108.800 0.158 0.000 2.547 473 G HA2 0.466 4.448 3.960 0.038 0.000 0.291 473 G HA3 0.466 4.448 3.960 0.038 0.000 0.291 473 G C -0.950 174.037 174.900 0.145 0.000 1.211 473 G CA -0.101 45.078 45.100 0.132 0.000 0.950 473 G HN 0.178 nan 8.290 nan 0.000 0.504 474 D N -1.503 118.988 120.400 0.152 0.000 2.653 474 D HA 0.257 4.919 4.640 0.038 0.000 0.258 474 D C -1.385 174.962 176.300 0.077 0.000 1.252 474 D CA -0.726 53.341 54.000 0.113 0.000 0.777 474 D CB 0.512 41.390 40.800 0.130 0.000 1.339 474 D HN 0.218 nan 8.370 nan 0.000 0.422 475 D N -0.259 120.165 120.400 0.040 0.000 2.361 475 D HA 0.250 4.913 4.640 0.038 0.000 0.239 475 D C 0.383 176.686 176.300 0.004 0.000 1.200 475 D CA -0.074 53.937 54.000 0.019 0.000 0.915 475 D CB 0.585 41.389 40.800 0.007 0.000 1.170 475 D HN 0.338 nan 8.370 nan 0.000 0.444 476 R N 0.789 121.285 120.500 -0.006 0.000 2.643 476 R HA 0.093 4.455 4.340 0.038 0.000 0.270 476 R C 0.857 177.132 176.300 -0.042 0.000 1.061 476 R CA 0.156 56.240 56.100 -0.026 0.000 1.107 476 R CB 0.535 30.821 30.300 -0.024 0.000 0.999 476 R HN 0.394 nan 8.270 nan 0.000 0.460 477 R N 0.965 121.424 120.500 -0.068 0.000 2.140 477 R HA 0.141 4.504 4.340 0.038 0.000 0.200 477 R C -0.018 176.246 176.300 -0.060 0.000 1.069 477 R CA 0.313 56.370 56.100 -0.071 0.000 1.088 477 R CB 0.366 30.598 30.300 -0.113 0.000 1.012 477 R HN 0.496 nan 8.270 nan 0.000 0.500 478 S N 4.147 119.807 115.700 -0.067 0.000 2.399 478 S HA 0.282 4.774 4.470 0.038 0.000 0.301 478 S C -2.331 172.247 174.600 -0.038 0.000 1.093 478 S CA -1.125 57.048 58.200 -0.045 0.000 1.077 478 S CB 1.459 64.647 63.200 -0.019 0.000 0.980 478 S HN 0.102 nan 8.310 nan 0.000 0.494 479 P HA 0.291 nan 4.420 nan 0.000 0.281 479 P C -0.857 176.427 177.300 -0.026 0.000 1.249 479 P CA -0.673 62.410 63.100 -0.029 0.000 0.810 479 P CB 0.714 32.397 31.700 -0.029 0.000 1.008 480 L N 2.822 124.033 121.223 -0.020 0.000 2.283 480 L HA 0.278 4.641 4.340 0.038 0.000 0.287 480 L C 0.698 177.556 176.870 -0.020 0.000 1.073 480 L CA 0.199 55.030 54.840 -0.015 0.000 0.822 480 L CB 0.192 42.249 42.059 -0.004 0.000 1.186 480 L HN 0.253 nan 8.230 nan 0.000 0.436 481 Q N 3.747 123.531 119.800 -0.027 0.000 2.337 481 Q HA 0.226 4.589 4.340 0.038 0.000 0.260 481 Q C -0.885 175.097 176.000 -0.031 0.000 0.982 481 Q CA -0.424 55.361 55.803 -0.031 0.000 0.734 481 Q CB 1.922 30.634 28.738 -0.044 0.000 1.272 481 Q HN 0.540 nan 8.270 nan 0.000 0.461 482 E N 2.520 122.707 120.200 -0.020 0.000 2.384 482 E HA 0.172 4.545 4.350 0.038 0.000 0.266 482 E C -0.481 176.108 176.600 -0.017 0.000 1.012 482 E CA 0.134 56.525 56.400 -0.015 0.000 0.901 482 E CB 0.641 30.338 29.700 -0.005 0.000 0.967 482 E HN 0.277 nan 8.360 nan 0.000 0.435 483 R N 2.551 123.043 120.500 -0.015 0.000 2.771 483 R HA 0.170 4.532 4.340 0.038 0.000 0.274 483 R C -1.117 175.196 176.300 0.021 0.000 0.987 483 R CA -1.045 55.052 56.100 -0.004 0.000 0.908 483 R CB 1.225 31.507 30.300 -0.030 0.000 1.213 483 R HN 0.534 nan 8.270 nan 0.000 0.468 484 E N 2.059 122.290 120.200 0.051 0.000 2.752 484 E HA -0.087 4.286 4.350 0.038 0.000 0.241 484 E C -0.039 176.612 176.600 0.084 0.000 1.016 484 E CA 0.392 56.835 56.400 0.072 0.000 0.952 484 E CB -0.210 29.550 29.700 0.101 0.000 0.921 484 E HN 0.330 nan 8.360 nan 0.000 0.515 485 E N 1.901 122.139 120.200 0.064 0.000 2.529 485 E HA 0.128 4.500 4.350 0.038 0.000 0.259 485 E C -0.359 176.300 176.600 0.098 0.000 0.966 485 E CA -0.315 56.124 56.400 0.065 0.000 0.937 485 E CB 0.529 30.256 29.700 0.046 0.000 0.923 485 E HN 0.502 nan 8.360 nan 0.000 0.468 486 A N 4.454 127.349 122.820 0.125 0.000 2.511 486 A HA 0.156 4.498 4.320 0.038 0.000 0.242 486 A C -0.186 177.455 177.584 0.094 0.000 1.069 486 A CA -0.079 52.057 52.037 0.166 0.000 0.763 486 A CB 0.393 19.530 19.000 0.228 0.000 1.001 486 A HN 0.562 nan 8.150 nan 0.000 0.498 487 K N 0.969 121.419 120.400 0.084 0.000 2.482 487 K HA 0.571 4.913 4.320 0.038 0.000 0.251 487 K C -0.297 176.339 176.600 0.060 0.000 0.936 487 K CA -0.293 56.029 56.287 0.058 0.000 0.791 487 K CB 2.098 34.636 32.500 0.062 0.000 1.213 487 K HN 0.873 nan 8.250 nan 0.000 0.428 488 A N 3.956 126.798 122.820 0.037 0.000 2.386 488 A HA 0.487 4.830 4.320 0.038 0.000 0.248 488 A C 0.475 178.172 177.584 0.189 0.000 1.082 488 A CA -0.251 51.851 52.037 0.110 0.000 0.789 488 A CB 0.054 19.062 19.000 0.013 0.000 1.025 488 A HN 0.765 nan 8.150 nan 0.000 0.490 489 M N 1.104 120.887 119.600 0.304 0.000 2.654 489 M HA 0.641 5.144 4.480 0.038 0.000 0.310 489 M C 0.104 176.459 176.300 0.091 0.000 1.211 489 M CA -0.517 54.857 55.300 0.123 0.000 0.947 489 M CB 1.505 34.125 32.600 0.033 0.000 1.647 489 M HN 0.681 nan 8.290 nan 0.000 0.481 490 S N -0.856 114.884 115.700 0.067 0.000 2.632 490 S HA 0.195 4.687 4.470 0.038 0.000 0.271 490 S C 0.552 175.180 174.600 0.047 0.000 1.260 490 S CA -0.578 57.661 58.200 0.065 0.000 1.010 490 S CB 1.471 64.717 63.200 0.077 0.000 0.965 490 S HN 0.933 nan 8.310 nan 0.000 0.534 491 E N -0.342 119.883 120.200 0.041 0.000 2.455 491 E HA -0.249 4.123 4.350 0.038 0.000 0.202 491 E C 1.502 178.120 176.600 0.031 0.000 1.045 491 E CA 0.824 57.233 56.400 0.014 0.000 0.872 491 E CB -0.102 29.607 29.700 0.015 0.000 0.792 491 E HN 0.817 nan 8.360 nan 0.000 0.542 492 H N 1.239 120.300 119.070 -0.015 0.000 2.294 492 H HA -0.079 4.499 4.556 0.038 0.000 0.306 492 H C 0.885 176.206 175.328 -0.013 0.000 1.065 492 H CA 1.600 57.643 56.048 -0.008 0.000 1.343 492 H CB 0.212 29.976 29.762 0.002 0.000 1.396 492 H HN 0.253 nan 8.280 nan 0.000 0.506 493 D N 0.168 120.627 120.400 0.098 0.000 2.400 493 D HA -0.024 4.639 4.640 0.038 0.000 0.243 493 D C 1.299 177.573 176.300 -0.043 0.000 1.184 493 D CA 0.079 54.098 54.000 0.033 0.000 0.853 493 D CB -0.338 40.524 40.800 0.103 0.000 0.944 493 D HN 0.443 nan 8.370 nan 0.000 0.501 494 M N -0.497 119.054 119.600 -0.082 0.000 2.461 494 M HA 0.175 4.677 4.480 0.038 0.000 0.255 494 M C 0.658 176.898 176.300 -0.099 0.000 1.137 494 M CA -0.119 55.120 55.300 -0.102 0.000 1.086 494 M CB 0.578 33.108 32.600 -0.118 0.000 1.356 494 M HN -0.075 nan 8.290 nan 0.000 0.487 495 L N 1.650 122.799 121.223 -0.123 0.000 2.461 495 L HA 0.059 4.422 4.340 0.038 0.000 0.272 495 L C -1.057 175.759 176.870 -0.090 0.000 1.197 495 L CA -1.273 53.495 54.840 -0.120 0.000 0.836 495 L CB -0.348 41.605 42.059 -0.177 0.000 1.105 495 L HN -0.080 nan 8.230 nan 0.000 0.477 496 P HA -0.331 nan 4.420 nan 0.000 0.221 496 P C 0.130 177.406 177.300 -0.039 0.000 0.967 496 P CA 1.391 64.463 63.100 -0.047 0.000 1.038 496 P CB -0.060 31.617 31.700 -0.039 0.000 0.731 497 S N -1.100 114.579 115.700 -0.035 0.000 3.598 497 S HA -0.132 4.361 4.470 0.038 0.000 0.602 497 S C -0.414 174.179 174.600 -0.011 0.000 0.614 497 S CA 0.499 58.687 58.200 -0.021 0.000 1.417 497 S CB -1.379 61.809 63.200 -0.020 0.000 0.922 497 S HN 0.382 nan 8.310 nan 0.000 0.924 498 E N 2.354 122.550 120.200 -0.006 0.000 2.308 498 E HA 0.384 4.756 4.350 0.038 0.000 0.275 498 E C -2.616 173.986 176.600 0.004 0.000 0.890 498 E CA -2.341 54.058 56.400 -0.001 0.000 0.754 498 E CB 1.445 31.144 29.700 -0.002 0.000 1.207 498 E HN 0.144 nan 8.360 nan 0.000 0.426 499 P HA -0.155 nan 4.420 nan 0.000 0.260 499 P C -1.078 176.229 177.300 0.012 0.000 1.147 499 P CA 0.509 63.614 63.100 0.008 0.000 0.758 499 P CB 0.309 32.014 31.700 0.008 0.000 0.744 500 V N 3.777 123.699 119.914 0.014 0.000 2.932 500 V HA 0.407 4.550 4.120 0.038 0.000 0.307 500 V C -0.807 175.300 176.094 0.023 0.000 1.147 500 V CA -0.335 61.977 62.300 0.020 0.000 0.951 500 V CB 2.817 34.653 31.823 0.022 0.000 1.031 500 V HN 0.499 nan 8.190 nan 0.000 0.426 501 T N 7.577 122.150 114.554 0.032 0.000 2.758 501 T HA 0.582 4.955 4.350 0.038 0.000 0.285 501 T C -0.376 174.354 174.700 0.050 0.000 0.981 501 T CA -0.277 61.847 62.100 0.040 0.000 0.965 501 T CB 0.713 69.611 68.868 0.050 0.000 0.927 501 T HN 0.458 nan 8.240 nan 0.000 0.448 502 I N 3.690 124.291 120.570 0.051 0.000 2.353 502 I HA 0.410 4.602 4.170 0.038 0.000 0.293 502 I C -0.115 176.056 176.117 0.091 0.000 0.992 502 I CA -0.887 60.456 61.300 0.073 0.000 1.268 502 I CB 1.219 39.261 38.000 0.070 0.000 1.387 502 I HN 0.312 nan 8.210 nan 0.000 0.478 503 V N 7.155 127.130 119.914 0.101 0.000 2.407 503 V HA 0.366 4.509 4.120 0.038 0.000 0.291 503 V C -0.391 175.777 176.094 0.123 0.000 1.018 503 V CA -0.701 61.657 62.300 0.096 0.000 0.842 503 V CB 2.271 34.115 31.823 0.035 0.000 0.996 503 V HN 0.516 nan 8.190 nan 0.000 0.426 504 L N 4.859 126.176 121.223 0.157 0.000 2.305 504 L HA 0.777 5.140 4.340 0.038 0.000 0.284 504 L C -0.075 176.855 176.870 0.100 0.000 1.013 504 L CA 0.678 55.611 54.840 0.155 0.000 0.819 504 L CB 1.831 44.044 42.059 0.256 0.000 1.227 504 L HN 0.604 nan 8.230 nan 0.000 0.417 505 S N 2.049 117.789 115.700 0.067 0.000 2.681 505 S HA 0.375 4.868 4.470 0.038 0.000 0.299 505 S C 0.778 175.402 174.600 0.040 0.000 1.113 505 S CA -0.406 57.815 58.200 0.035 0.000 1.013 505 S CB 1.595 64.776 63.200 -0.030 0.000 1.076 505 S HN 0.822 nan 8.310 nan 0.000 0.534 506 Q N 1.494 121.309 119.800 0.026 0.000 2.197 506 Q HA -0.186 4.177 4.340 0.038 0.000 0.211 506 Q C 1.733 177.744 176.000 0.018 0.000 0.993 506 Q CA 1.874 57.689 55.803 0.019 0.000 0.883 506 Q CB -0.297 28.447 28.738 0.011 0.000 0.916 506 Q HN 0.616 nan 8.270 nan 0.000 0.418 507 M N -1.179 118.424 119.600 0.004 0.000 2.446 507 M HA 0.020 4.523 4.480 0.038 0.000 0.263 507 M C 1.183 177.569 176.300 0.144 0.000 1.066 507 M CA 1.486 56.786 55.300 0.001 0.000 1.087 507 M CB -0.896 31.611 32.600 -0.154 0.000 1.406 507 M HN 0.523 nan 8.290 nan 0.000 0.459 508 G N -0.323 108.570 108.800 0.154 0.000 2.140 508 G HA2 -0.196 3.787 3.960 0.038 0.000 0.211 508 G HA3 -0.196 3.787 3.960 0.038 0.000 0.211 508 G C -0.837 174.198 174.900 0.224 0.000 1.013 508 G CA -0.346 44.841 45.100 0.145 0.000 0.705 508 G HN 0.414 nan 8.290 nan 0.000 0.508 509 W N -0.359 120.885 121.300 -0.093 0.000 2.689 509 W HA 0.674 5.357 4.660 0.038 0.000 0.340 509 W C 0.355 176.822 176.519 -0.087 0.000 1.060 509 W CA -0.816 56.474 57.345 -0.093 0.000 1.218 509 W CB 1.766 31.182 29.460 -0.073 0.000 1.410 509 W HN 0.603 nan 8.180 nan 0.000 0.528 510 V N 1.299 121.248 119.914 0.057 0.000 2.435 510 V HA 0.726 4.868 4.120 0.038 0.000 0.290 510 V C -0.366 175.781 176.094 0.089 0.000 1.030 510 V CA -1.355 60.973 62.300 0.047 0.000 0.881 510 V CB 1.481 33.283 31.823 -0.035 0.000 0.983 510 V HN 0.588 nan 8.190 nan 0.000 0.445 511 R N 2.796 123.354 120.500 0.097 0.000 2.545 511 R HA 0.430 4.793 4.340 0.038 0.000 0.289 511 R C -0.412 175.929 176.300 0.067 0.000 1.327 511 R CA -0.240 55.906 56.100 0.076 0.000 1.040 511 R CB 1.810 32.143 30.300 0.055 0.000 1.176 511 R HN 0.828 nan 8.270 nan 0.000 0.518 512 S N 2.295 118.035 115.700 0.066 0.000 2.430 512 S HA 0.439 4.931 4.470 0.038 0.000 0.282 512 S C 0.473 175.100 174.600 0.045 0.000 1.186 512 S CA -0.253 57.984 58.200 0.061 0.000 1.060 512 S CB 0.457 63.693 63.200 0.061 0.000 0.966 512 S HN 0.653 nan 8.310 nan 0.000 0.501 513 A N 5.557 128.402 122.820 0.042 0.000 3.337 513 A HA 0.836 5.178 4.320 0.038 0.000 0.173 513 A C -0.265 177.338 177.584 0.032 0.000 1.986 513 A CA -0.239 51.819 52.037 0.035 0.000 0.954 513 A CB 0.196 19.219 19.000 0.038 0.000 1.899 513 A HN 0.721 nan 8.150 nan 0.000 0.732 514 K N -2.587 117.832 120.400 0.032 0.000 2.466 514 K HA 0.627 4.970 4.320 0.038 0.000 0.260 514 K C -0.000 176.616 176.600 0.027 0.000 1.011 514 K CA 0.084 56.387 56.287 0.026 0.000 0.871 514 K CB 1.384 33.897 32.500 0.022 0.000 1.404 514 K HN 1.817 nan 8.250 nan 0.000 0.450 532 K N 1.481 121.992 120.400 0.186 0.000 2.937 532 K HA 0.756 5.099 4.320 0.038 0.000 0.194 532 K C -0.722 175.953 176.600 0.125 0.000 1.589 532 K CA 0.621 56.984 56.287 0.127 0.000 1.303 532 K CB 1.338 33.888 32.500 0.084 0.000 1.864 532 K HN 0.683 nan 8.250 nan 0.000 0.608 533 A N 0.896 123.795 122.820 0.132 0.000 2.455 533 A HA 0.793 5.136 4.320 0.038 0.000 0.300 533 A C -1.669 175.991 177.584 0.126 0.000 1.040 533 A CA -0.415 51.697 52.037 0.124 0.000 0.697 533 A CB 1.961 21.038 19.000 0.128 0.000 1.265 533 A HN 0.232 nan 8.150 nan 0.000 0.407 534 A N 1.323 124.207 122.820 0.106 0.000 2.398 534 A HA 0.800 5.143 4.320 0.038 0.000 0.301 534 A C -0.418 177.199 177.584 0.055 0.000 1.041 534 A CA -0.114 51.978 52.037 0.092 0.000 0.711 534 A CB 1.170 20.236 19.000 0.110 0.000 1.240 534 A HN 2.229 nan 8.150 nan 0.000 0.420 535 V N -0.299 119.638 119.914 0.037 0.000 3.074 535 V HA 0.928 5.071 4.120 0.038 0.000 0.314 535 V C -0.585 175.508 176.094 -0.002 0.000 1.117 535 V CA -1.208 61.094 62.300 0.003 0.000 1.014 535 V CB 1.670 33.478 31.823 -0.025 0.000 1.057 535 V HN 1.027 nan 8.190 nan 0.000 0.438 536 K N 1.052 121.438 120.400 -0.024 0.000 2.168 536 K HA 1.050 5.392 4.320 0.038 0.000 0.239 536 K C 0.196 176.774 176.600 -0.036 0.000 0.999 536 K CA -0.022 56.251 56.287 -0.023 0.000 0.900 536 K CB 1.030 33.514 32.500 -0.025 0.000 1.111 536 K HN 2.170 nan 8.250 nan 0.000 0.452 537 G N -0.368 108.418 108.800 -0.025 0.000 2.347 537 G HA2 0.028 4.010 3.960 0.038 0.000 0.341 537 G HA3 0.028 4.010 3.960 0.038 0.000 0.341 537 G C -1.359 173.536 174.900 -0.008 0.000 1.287 537 G CA -0.972 44.112 45.100 -0.027 0.000 0.984 537 G HN 0.571 nan 8.290 nan 0.000 0.526 538 K N -0.733 119.664 120.400 -0.004 0.000 2.155 538 K HA 0.583 4.925 4.320 0.038 0.000 0.237 538 K C 1.365 177.972 176.600 0.013 0.000 1.040 538 K CA 0.143 56.434 56.287 0.005 0.000 0.912 538 K CB 1.058 33.563 32.500 0.008 0.000 1.137 538 K HN 0.428 nan 8.250 nan 0.000 0.498 539 S N 0.287 115.994 115.700 0.011 0.000 2.503 539 S HA -0.057 4.436 4.470 0.038 0.000 0.217 539 S C 1.266 175.876 174.600 0.017 0.000 0.999 539 S CA 0.582 58.790 58.200 0.014 0.000 0.914 539 S CB -0.133 63.070 63.200 0.006 0.000 0.782 539 S HN 0.663 nan 8.310 nan 0.000 0.520 540 N N 1.669 120.377 118.700 0.013 0.000 2.395 540 N HA -0.075 4.687 4.740 0.038 0.000 0.175 540 N C 0.612 176.187 175.510 0.109 0.000 1.029 540 N CA 0.089 53.148 53.050 0.015 0.000 0.897 540 N CB -0.733 37.733 38.487 -0.035 0.000 0.991 540 N HN 0.677 nan 8.380 nan 0.000 0.441 541 Q N 1.769 121.628 119.800 0.098 0.000 2.352 541 Q HA 0.404 4.767 4.340 0.038 0.000 0.260 541 Q C -2.395 173.683 176.000 0.130 0.000 0.976 541 Q CA -1.711 54.169 55.803 0.127 0.000 0.881 541 Q CB 0.519 29.308 28.738 0.085 0.000 1.235 541 Q HN 0.134 nan 8.270 nan 0.000 0.419 542 P HA 0.130 nan 4.420 nan 0.000 0.277 542 P C -0.920 176.471 177.300 0.153 0.000 1.271 542 P CA -0.575 62.617 63.100 0.152 0.000 0.795 542 P CB 0.839 32.622 31.700 0.138 0.000 1.101 543 V N 0.525 120.488 119.914 0.081 0.000 2.448 543 V HA 0.280 4.422 4.120 0.038 0.000 0.295 543 V C 0.352 176.330 176.094 -0.193 0.000 1.025 543 V CA -0.769 61.496 62.300 -0.058 0.000 0.859 543 V CB 1.766 33.502 31.823 -0.146 0.000 0.988 543 V HN 0.239 nan 8.190 nan 0.000 0.431 544 V N 5.137 124.942 119.914 -0.182 0.000 2.532 544 V HA 0.603 4.746 4.120 0.038 0.000 0.295 544 V C -0.567 175.278 176.094 -0.416 0.000 1.041 544 V CA -0.326 61.879 62.300 -0.160 0.000 0.926 544 V CB 1.569 33.395 31.823 0.005 0.000 0.992 544 V HN 0.698 nan 8.190 nan 0.000 0.457 545 F N 2.409 122.475 119.950 0.193 0.000 2.577 545 F HA 0.748 5.298 4.527 0.038 0.000 0.318 545 F C -0.192 175.768 175.800 0.266 0.000 1.065 545 F CA -0.999 57.121 58.000 0.200 0.000 0.929 545 F CB 2.085 41.172 39.000 0.144 0.000 1.237 545 F HN 0.115 nan 8.300 nan 0.000 0.468 546 V N 1.668 121.842 119.914 0.433 0.000 2.531 546 V HA 0.308 4.451 4.120 0.038 0.000 0.301 546 V C -0.871 175.429 176.094 0.344 0.000 1.034 546 V CA -0.852 61.669 62.300 0.368 0.000 0.865 546 V CB 1.713 33.710 31.823 0.290 0.000 0.995 546 V HN 0.784 nan 8.190 nan 0.000 0.424 547 D N 2.843 123.443 120.400 0.333 0.000 2.423 547 D HA 0.168 4.831 4.640 0.038 0.000 0.255 547 D C 1.205 177.611 176.300 0.177 0.000 1.174 547 D CA -0.085 54.055 54.000 0.234 0.000 1.008 547 D CB 0.984 41.947 40.800 0.273 0.000 1.101 547 D HN 0.454 nan 8.370 nan 0.000 0.516 548 S N -1.893 113.880 115.700 0.122 0.000 2.603 548 S HA -0.082 4.410 4.470 0.038 0.000 0.229 548 S C 1.424 176.078 174.600 0.089 0.000 0.972 548 S CA 0.624 58.890 58.200 0.111 0.000 0.935 548 S CB -0.518 62.737 63.200 0.093 0.000 0.769 548 S HN 0.596 nan 8.310 nan 0.000 0.536 549 T N 0.417 115.028 114.554 0.095 0.000 2.990 549 T HA 0.458 4.831 4.350 0.038 0.000 0.250 549 T C 1.045 175.784 174.700 0.065 0.000 1.041 549 T CA 0.780 62.919 62.100 0.065 0.000 1.010 549 T CB -0.336 68.569 68.868 0.061 0.000 1.003 549 T HN 0.931 nan 8.240 nan 0.000 0.499 550 G N 1.955 110.810 108.800 0.092 0.000 2.181 550 G HA2 -0.126 3.857 3.960 0.038 0.000 0.152 550 G HA3 -0.126 3.857 3.960 0.038 0.000 0.152 550 G C -0.249 174.679 174.900 0.048 0.000 1.026 550 G CA -0.663 44.484 45.100 0.079 0.000 0.699 550 G HN 0.492 nan 8.290 nan 0.000 0.497 551 R N 0.397 120.923 120.500 0.043 0.000 2.562 551 R HA 0.674 5.036 4.340 0.038 0.000 0.298 551 R C 0.287 176.479 176.300 -0.180 0.000 0.961 551 R CA -0.048 55.986 56.100 -0.109 0.000 0.881 551 R CB 1.780 31.974 30.300 -0.176 0.000 1.159 551 R HN 0.458 nan 8.270 nan 0.000 0.450 552 S N 1.659 117.180 115.700 -0.298 0.000 2.608 552 S HA 0.585 5.078 4.470 0.038 0.000 0.291 552 S C -0.892 173.443 174.600 -0.441 0.000 1.146 552 S CA -0.652 57.428 58.200 -0.201 0.000 1.043 552 S CB 0.885 64.024 63.200 -0.101 0.000 1.037 552 S HN 0.494 nan 8.310 nan 0.000 0.520 553 Y N -0.348 120.005 120.300 0.089 0.000 2.492 553 Y HA 0.670 5.243 4.550 0.038 0.000 0.346 553 Y C 0.045 176.012 175.900 0.112 0.000 0.997 553 Y CA -0.969 57.197 58.100 0.111 0.000 1.025 553 Y CB 2.200 40.764 38.460 0.174 0.000 1.263 553 Y HN 1.042 nan 8.280 nan 0.000 0.454 554 A N 4.079 127.031 122.820 0.219 0.000 2.318 554 A HA 0.902 5.245 4.320 0.038 0.000 0.324 554 A C -1.039 176.659 177.584 0.190 0.000 1.170 554 A CA -0.579 51.546 52.037 0.146 0.000 0.810 554 A CB 0.483 19.508 19.000 0.043 0.000 1.198 554 A HN 0.718 nan 8.150 nan 0.000 0.484 555 I N 1.435 122.128 120.570 0.205 0.000 2.730 555 I HA 0.287 4.479 4.170 0.038 0.000 0.298 555 I C -1.092 175.113 176.117 0.147 0.000 1.089 555 I CA -0.886 60.528 61.300 0.190 0.000 1.041 555 I CB 2.429 40.592 38.000 0.270 0.000 1.235 555 I HN 0.525 nan 8.210 nan 0.000 0.423 556 D N 6.559 127.028 120.400 0.115 0.000 2.277 556 D HA 0.201 4.864 4.640 0.038 0.000 0.249 556 D C -1.822 174.529 176.300 0.084 0.000 1.134 556 D CA -1.394 52.665 54.000 0.098 0.000 0.863 556 D CB 1.751 42.603 40.800 0.088 0.000 1.143 556 D HN 0.204 nan 8.370 nan 0.000 0.458 557 P HA -0.022 nan 4.420 nan 0.000 0.228 557 P C 1.260 178.586 177.300 0.044 0.000 1.151 557 P CA 0.664 63.803 63.100 0.066 0.000 0.770 557 P CB 0.251 31.984 31.700 0.056 0.000 0.786 558 I N -1.009 119.582 120.570 0.035 0.000 2.617 558 I HA -0.129 4.064 4.170 0.038 0.000 0.256 558 I C 2.104 178.233 176.117 0.019 0.000 1.167 558 I CA 1.633 62.945 61.300 0.019 0.000 1.469 558 I CB -1.050 36.954 38.000 0.007 0.000 1.098 558 I HN 0.074 nan 8.210 nan 0.000 0.436 559 T N -0.824 113.746 114.554 0.026 0.000 3.043 559 T HA 0.161 4.533 4.350 0.038 0.000 0.263 559 T C 0.795 175.501 174.700 0.010 0.000 1.094 559 T CA 0.128 62.238 62.100 0.017 0.000 1.127 559 T CB -0.415 68.465 68.868 0.019 0.000 0.905 559 T HN 0.080 nan 8.240 nan 0.000 0.490 560 L N 3.219 124.456 121.223 0.023 0.000 2.326 560 L HA 0.431 4.794 4.340 0.038 0.000 0.278 560 L C -1.852 175.029 176.870 0.019 0.000 1.092 560 L CA -2.397 52.455 54.840 0.019 0.000 0.810 560 L CB 0.340 42.425 42.059 0.044 0.000 1.153 560 L HN 0.074 nan 8.230 nan 0.000 0.439 561 P HA 0.110 nan 4.420 nan 0.000 0.274 561 P C -0.207 177.111 177.300 0.030 0.000 1.260 561 P CA -0.495 62.617 63.100 0.020 0.000 0.793 561 P CB 0.719 32.431 31.700 0.021 0.000 1.048 562 S N -0.271 115.446 115.700 0.028 0.000 2.502 562 S HA 0.248 4.741 4.470 0.038 0.000 0.251 562 S C 1.406 176.024 174.600 0.029 0.000 1.254 562 S CA 0.107 58.323 58.200 0.027 0.000 0.989 562 S CB -0.892 62.320 63.200 0.021 0.000 1.015 562 S HN 0.541 nan 8.310 nan 0.000 0.529 563 A N -0.530 122.303 122.820 0.022 0.000 2.252 563 A HA 0.338 4.681 4.320 0.038 0.000 0.207 563 A C 0.964 178.552 177.584 0.007 0.000 1.194 563 A CA 0.116 52.160 52.037 0.012 0.000 0.809 563 A CB -0.506 18.500 19.000 0.009 0.000 0.814 563 A HN 0.565 nan 8.150 nan 0.000 0.482 569 P HA 0.011 nan 4.420 nan 0.000 0.271 569 P C 0.369 177.280 177.300 -0.648 0.000 1.216 569 P CA -0.312 61.918 63.100 -1.450 0.000 0.776 569 P CB 0.957 31.941 31.700 -1.194 0.000 0.881 570 L N 3.856 124.804 121.223 -0.458 0.000 2.179 570 L HA -0.077 4.285 4.340 0.038 0.000 0.208 570 L C 2.304 178.972 176.870 -0.338 0.000 1.096 570 L CA 2.428 57.039 54.840 -0.382 0.000 0.779 570 L CB -1.754 40.065 42.059 -0.400 0.000 0.922 570 L HN 0.445 nan 8.230 nan 0.000 0.443 571 T N -3.217 111.167 114.554 -0.285 0.000 2.803 571 T HA -0.087 4.285 4.350 0.038 0.000 0.269 571 T C 1.509 176.082 174.700 -0.211 0.000 1.052 571 T CA 0.877 62.844 62.100 -0.222 0.000 1.136 571 T CB -1.165 67.609 68.868 -0.156 0.000 0.864 571 T HN 0.409 nan 8.240 nan 0.000 0.467 572 G N 0.241 108.892 108.800 -0.248 0.000 3.574 572 G HA2 0.388 4.370 3.960 0.038 0.000 0.262 572 G HA3 0.388 4.370 3.960 0.038 0.000 0.262 572 G C 0.811 175.587 174.900 -0.206 0.000 1.231 572 G CA -0.469 44.503 45.100 -0.215 0.000 1.608 572 G HN 0.287 nan 8.290 nan 0.000 0.628 573 K N -0.871 119.409 120.400 -0.200 0.000 2.648 573 K HA 0.207 4.550 4.320 0.038 0.000 0.194 573 K C 0.085 176.593 176.600 -0.152 0.000 1.721 573 K CA 0.177 56.364 56.287 -0.167 0.000 1.183 573 K CB 0.549 32.934 32.500 -0.192 0.000 1.618 573 K HN 0.264 nan 8.250 nan 0.000 0.595 574 L N 1.835 122.931 121.223 -0.212 0.000 2.381 574 L HA 0.414 4.776 4.340 0.038 0.000 0.268 574 L C -0.489 176.270 176.870 -0.184 0.000 0.997 574 L CA -0.757 53.938 54.840 -0.242 0.000 0.818 574 L CB 2.192 43.938 42.059 -0.522 0.000 1.310 574 L HN -0.130 nan 8.230 nan 0.000 0.416 575 T N 4.007 118.510 114.554 -0.084 0.000 2.739 575 T HA 0.486 4.858 4.350 0.038 0.000 0.298 575 T C -0.054 174.646 174.700 -0.000 0.000 0.929 575 T CA -0.220 61.864 62.100 -0.026 0.000 1.014 575 T CB -0.082 68.803 68.868 0.028 0.000 0.914 575 T HN 0.233 nan 8.240 nan 0.000 0.509 576 L N 4.701 125.900 121.223 -0.040 0.000 2.331 576 L HA 0.501 4.863 4.340 0.038 0.000 0.275 576 L C -1.975 174.910 176.870 0.025 0.000 1.022 576 L CA -2.562 52.273 54.840 -0.008 0.000 0.812 576 L CB 0.822 42.834 42.059 -0.077 0.000 1.257 576 L HN 0.338 nan 8.230 nan 0.000 0.435 577 P HA 0.113 nan 4.420 nan 0.000 0.267 577 P C -2.479 174.834 177.300 0.021 0.000 1.200 577 P CA -0.837 62.287 63.100 0.040 0.000 0.772 577 P CB -0.305 31.427 31.700 0.053 0.000 0.855 578 P HA 0.001 nan 4.420 nan 0.000 0.255 578 P C 1.063 178.369 177.300 0.009 0.000 1.173 578 P CA 1.665 64.769 63.100 0.007 0.000 0.780 578 P CB -0.274 31.430 31.700 0.006 0.000 0.758 579 G N 2.786 111.589 108.800 0.005 0.000 2.253 579 G HA2 -0.250 3.733 3.960 0.038 0.000 0.251 579 G HA3 -0.250 3.733 3.960 0.038 0.000 0.251 579 G C 0.496 175.403 174.900 0.012 0.000 0.998 579 G CA -0.044 45.061 45.100 0.008 0.000 0.621 579 G HN 0.853 nan 8.290 nan 0.000 0.524 580 A N 1.222 124.051 122.820 0.015 0.000 2.546 580 A HA 0.555 4.898 4.320 0.038 0.000 0.243 580 A C 0.995 178.586 177.584 0.011 0.000 1.063 580 A CA 1.575 53.627 52.037 0.026 0.000 0.757 580 A CB -0.037 18.990 19.000 0.045 0.000 0.991 580 A HN 1.817 nan 8.150 nan 0.000 0.503 581 T N -0.140 114.425 114.554 0.019 0.000 2.928 581 T HA 0.539 4.912 4.350 0.038 0.000 0.284 581 T C -0.213 174.487 174.700 0.001 0.000 1.008 581 T CA -0.786 61.315 62.100 0.001 0.000 1.057 581 T CB 1.253 70.125 68.868 0.006 0.000 1.018 581 T HN 0.534 nan 8.240 nan 0.000 0.493 582 V N 3.270 123.168 119.914 -0.027 0.000 2.353 582 V HA 0.209 4.352 4.120 0.038 0.000 0.264 582 V C 0.234 176.316 176.094 -0.021 0.000 1.049 582 V CA -0.252 62.040 62.300 -0.012 0.000 0.896 582 V CB 0.207 31.980 31.823 -0.083 0.000 1.025 582 V HN 0.940 nan 8.190 nan 0.000 0.475 583 D N 1.760 122.122 120.400 -0.063 0.000 2.214 583 D HA 0.103 4.766 4.640 0.038 0.000 0.217 583 D C 0.293 176.376 176.300 -0.361 0.000 0.973 583 D CA 1.105 54.916 54.000 -0.316 0.000 0.880 583 D CB 0.161 40.599 40.800 -0.603 0.000 1.031 583 D HN 0.774 nan 8.370 nan 0.000 0.468 584 H N -1.046 118.111 119.070 0.145 0.000 2.670 584 H HA 0.600 5.179 4.556 0.038 0.000 0.361 584 H C -0.747 174.694 175.328 0.189 0.000 1.169 584 H CA -0.957 55.172 56.048 0.134 0.000 1.198 584 H CB 1.847 31.661 29.762 0.087 0.000 1.700 584 H HN -0.101 nan 8.280 nan 0.000 0.542 585 M N 2.476 122.227 119.600 0.251 0.000 2.386 585 M HA 0.522 5.025 4.480 0.038 0.000 0.293 585 M C -2.151 174.159 176.300 0.015 0.000 1.120 585 M CA -0.619 54.732 55.300 0.085 0.000 0.909 585 M CB 1.641 34.299 32.600 0.096 0.000 1.661 585 M HN 0.547 nan 8.290 nan 0.000 0.452 586 L N 4.634 125.830 121.223 -0.045 0.000 2.371 586 L HA 0.726 5.088 4.340 0.038 0.000 0.262 586 L C -1.092 175.771 176.870 -0.013 0.000 1.006 586 L CA -0.574 54.274 54.840 0.013 0.000 0.818 586 L CB 2.604 44.746 42.059 0.139 0.000 1.354 586 L HN 0.871 nan 8.230 nan 0.000 0.415 587 M N 2.970 122.494 119.600 -0.126 0.000 2.299 587 M HA 0.332 4.835 4.480 0.038 0.000 0.210 587 M C -1.780 174.270 176.300 -0.417 0.000 0.981 587 M CA -0.209 54.952 55.300 -0.232 0.000 1.014 587 M CB 0.916 33.447 32.600 -0.117 0.000 2.651 587 M HN 0.498 nan 8.290 nan 0.000 0.426 588 E N 0.839 120.493 120.200 -0.910 0.000 2.431 588 E HA 0.409 4.782 4.350 0.038 0.000 0.268 588 E C -0.811 175.347 176.600 -0.737 0.000 0.953 588 E CA -0.649 55.334 56.400 -0.695 0.000 0.810 588 E CB 1.950 31.324 29.700 -0.543 0.000 1.369 588 E HN 0.547 nan 8.360 nan 0.000 0.440 589 S N 0.229 115.718 115.700 -0.352 0.000 2.558 589 S HA -0.114 4.379 4.470 0.038 0.000 0.287 589 S C 0.917 175.487 174.600 -0.050 0.000 1.321 589 S CA 0.298 58.405 58.200 -0.155 0.000 1.048 589 S CB 0.315 63.474 63.200 -0.068 0.000 0.844 589 S HN 0.548 nan 8.310 nan 0.000 0.512 590 D N 1.296 121.773 120.400 0.128 0.000 2.123 590 D HA -0.155 4.508 4.640 0.038 0.000 0.196 590 D C 1.315 177.762 176.300 0.246 0.000 0.992 590 D CA 2.029 56.214 54.000 0.307 0.000 0.833 590 D CB -0.091 40.817 40.800 0.179 0.000 0.954 590 D HN 0.790 nan 8.370 nan 0.000 0.455 591 D N -0.522 119.956 120.400 0.130 0.000 2.339 591 D HA -0.068 4.595 4.640 0.038 0.000 0.217 591 D C 0.477 176.830 176.300 0.088 0.000 1.050 591 D CA -0.197 53.862 54.000 0.099 0.000 0.856 591 D CB -0.476 40.363 40.800 0.064 0.000 0.922 591 D HN 0.200 nan 8.370 nan 0.000 0.518 592 Q N 1.863 121.711 119.800 0.081 0.000 2.286 592 Q HA -0.020 4.343 4.340 0.038 0.000 0.290 592 Q C -0.175 175.871 176.000 0.077 0.000 1.049 592 Q CA 0.158 55.986 55.803 0.042 0.000 0.923 592 Q CB 0.693 29.409 28.738 -0.037 0.000 1.183 592 Q HN -0.186 nan 8.270 nan 0.000 0.383 593 K N 4.028 124.457 120.400 0.049 0.000 2.326 593 K HA 0.320 4.663 4.320 0.038 0.000 0.275 593 K C -0.496 176.131 176.600 0.046 0.000 1.018 593 K CA 0.013 56.333 56.287 0.054 0.000 0.962 593 K CB 0.384 32.908 32.500 0.039 0.000 0.953 593 K HN 0.650 nan 8.250 nan 0.000 0.475 594 L N 2.297 123.553 121.223 0.056 0.000 2.393 594 L HA 0.444 4.806 4.340 0.038 0.000 0.260 594 L C -0.955 175.914 176.870 -0.003 0.000 1.002 594 L CA -1.329 53.528 54.840 0.028 0.000 0.818 594 L CB 1.789 43.883 42.059 0.059 0.000 1.369 594 L HN 0.307 nan 8.230 nan 0.000 0.412 595 L N 2.767 123.957 121.223 -0.056 0.000 2.294 595 L HA 0.543 4.906 4.340 0.038 0.000 0.283 595 L C -0.715 176.039 176.870 -0.193 0.000 1.015 595 L CA -0.112 54.665 54.840 -0.105 0.000 0.831 595 L CB 1.039 43.042 42.059 -0.093 0.000 1.217 595 L HN 0.441 nan 8.230 nan 0.000 0.420 596 M N 4.422 123.817 119.600 -0.342 0.000 2.318 596 M HA 0.794 5.296 4.480 0.038 0.000 0.347 596 M C -0.077 175.929 176.300 -0.491 0.000 1.175 596 M CA -0.301 54.711 55.300 -0.480 0.000 1.075 596 M CB 1.192 33.344 32.600 -0.747 0.000 1.614 596 M HN 0.783 nan 8.290 nan 0.000 0.456 597 A N 1.948 124.585 122.820 -0.305 0.000 2.599 597 A HA 0.822 5.165 4.320 0.038 0.000 0.290 597 A C -0.864 176.676 177.584 -0.073 0.000 1.101 597 A CA -0.571 51.365 52.037 -0.168 0.000 0.674 597 A CB 1.408 20.346 19.000 -0.103 0.000 1.277 597 A HN 0.792 nan 8.150 nan 0.000 0.419 598 S N -0.498 115.211 115.700 0.016 0.000 2.566 598 S HA 0.527 5.020 4.470 0.038 0.000 0.298 598 S C 0.003 174.658 174.600 0.090 0.000 1.083 598 S CA 0.170 58.410 58.200 0.067 0.000 0.978 598 S CB 1.640 64.898 63.200 0.097 0.000 1.073 598 S HN 0.954 nan 8.310 nan 0.000 0.491 599 D N 1.176 121.643 120.400 0.111 0.000 2.390 599 D HA 0.043 4.706 4.640 0.038 0.000 0.235 599 D C 1.350 177.724 176.300 0.123 0.000 1.040 599 D CA 0.744 54.814 54.000 0.115 0.000 0.923 599 D CB -0.405 40.484 40.800 0.148 0.000 0.886 599 D HN 0.612 nan 8.370 nan 0.000 0.532 600 A N -0.208 122.699 122.820 0.146 0.000 2.169 600 A HA 0.498 4.841 4.320 0.038 0.000 0.212 600 A C 1.995 179.697 177.584 0.197 0.000 1.153 600 A CA 0.648 52.797 52.037 0.186 0.000 0.756 600 A CB -0.296 18.835 19.000 0.219 0.000 0.813 600 A HN 0.626 nan 8.150 nan 0.000 0.471 601 G N -2.931 105.946 108.800 0.129 0.000 2.168 601 G HA2 -0.198 3.784 3.960 0.038 0.000 0.197 601 G HA3 -0.198 3.784 3.960 0.038 0.000 0.197 601 G C -0.164 174.646 174.900 -0.149 0.000 0.997 601 G CA 0.083 45.166 45.100 -0.028 0.000 0.658 601 G HN 0.384 nan 8.290 nan 0.000 0.513 602 Y N 0.150 120.479 120.300 0.048 0.000 2.487 602 Y HA 0.713 5.286 4.550 0.038 0.000 0.337 602 Y C 0.903 176.830 175.900 0.044 0.000 1.076 602 Y CA 0.171 58.308 58.100 0.061 0.000 1.115 602 Y CB 2.237 40.739 38.460 0.070 0.000 1.235 602 Y HN 0.558 nan 8.280 nan 0.000 0.468 603 G N 0.798 109.731 108.800 0.222 0.000 2.489 603 G HA2 0.590 4.573 3.960 0.038 0.000 0.305 603 G HA3 0.590 4.573 3.960 0.038 0.000 0.305 603 G C -2.064 172.945 174.900 0.181 0.000 1.311 603 G CA -0.808 44.329 45.100 0.060 0.000 0.813 603 G HN 0.651 nan 8.290 nan 0.000 0.480 604 F N -2.110 117.883 119.950 0.071 0.000 2.719 604 F HA 0.742 5.292 4.527 0.038 0.000 0.309 604 F C -1.012 174.815 175.800 0.045 0.000 1.138 604 F CA -1.478 56.559 58.000 0.062 0.000 0.943 604 F CB 1.063 40.093 39.000 0.050 0.000 1.304 604 F HN 0.462 nan 8.300 nan 0.000 0.445 605 V N 1.986 122.083 119.914 0.306 0.000 2.509 605 V HA 0.638 4.780 4.120 0.038 0.000 0.284 605 V C 0.199 176.472 176.094 0.299 0.000 1.047 605 V CA -0.232 62.190 62.300 0.203 0.000 0.952 605 V CB 0.875 32.778 31.823 0.135 0.000 0.988 605 V HN 1.236 nan 8.190 nan 0.000 0.469 606 C N 1.706 121.140 119.300 0.223 0.000 3.318 606 C HA 0.759 5.242 4.460 0.038 0.000 0.322 606 C C -0.118 174.953 174.990 0.134 0.000 1.398 606 C CA -0.704 58.437 59.018 0.205 0.000 1.339 606 C CB 1.212 29.143 27.740 0.318 0.000 1.668 606 C HN 0.798 nan 8.230 nan 0.000 0.462 607 T N 0.103 114.723 114.554 0.110 0.000 2.909 607 T HA 0.382 4.755 4.350 0.038 0.000 0.286 607 T C 0.578 175.359 174.700 0.135 0.000 1.002 607 T CA -0.157 62.012 62.100 0.115 0.000 1.074 607 T CB 0.326 69.248 68.868 0.089 0.000 0.984 607 T HN 0.847 nan 8.240 nan 0.000 0.495 608 F N 4.399 124.359 119.950 0.017 0.000 2.147 608 F HA -0.200 4.349 4.527 0.038 0.000 0.301 608 F C 2.216 178.020 175.800 0.008 0.000 1.084 608 F CA 2.282 60.287 58.000 0.007 0.000 1.268 608 F CB -0.484 38.515 39.000 -0.002 0.000 1.009 608 F HN 0.794 nan 8.300 nan 0.000 0.486 609 N N -0.090 118.585 118.700 -0.042 0.000 2.137 609 N HA -0.221 4.542 4.740 0.038 0.000 0.190 609 N C 1.025 176.439 175.510 -0.161 0.000 1.017 609 N CA 1.331 54.304 53.050 -0.128 0.000 0.859 609 N CB -0.222 38.256 38.487 -0.016 0.000 1.002 609 N HN 0.289 nan 8.380 nan 0.000 0.428 610 D N 0.196 120.543 120.400 -0.088 0.000 2.392 610 D HA -0.065 4.598 4.640 0.038 0.000 0.228 610 D C 1.059 177.303 176.300 -0.094 0.000 1.003 610 D CA 0.465 54.428 54.000 -0.062 0.000 0.917 610 D CB 0.181 40.986 40.800 0.008 0.000 0.890 610 D HN 0.304 nan 8.370 nan 0.000 0.532 611 L N -0.355 120.745 121.223 -0.204 0.000 2.609 611 L HA 0.079 4.441 4.340 0.038 0.000 0.230 611 L C 0.514 177.209 176.870 -0.291 0.000 1.087 611 L CA 0.266 54.968 54.840 -0.231 0.000 0.874 611 L CB 0.531 42.432 42.059 -0.263 0.000 1.114 611 L HN -0.249 nan 8.230 nan 0.000 0.488 612 V N 1.640 121.343 119.914 -0.350 0.000 2.364 612 V HA 0.424 4.567 4.120 0.038 0.000 0.252 612 V C 0.476 176.478 176.094 -0.154 0.000 1.075 612 V CA -0.144 61.991 62.300 -0.275 0.000 1.033 612 V CB -0.243 31.415 31.823 -0.276 0.000 1.116 612 V HN 0.217 nan 8.190 nan 0.000 0.488 613 A N 5.666 128.416 122.820 -0.117 0.000 2.310 613 A HA 0.592 4.934 4.320 0.038 0.000 0.304 613 A C 0.885 178.457 177.584 -0.020 0.000 1.231 613 A CA -0.650 51.338 52.037 -0.083 0.000 0.799 613 A CB 0.790 19.712 19.000 -0.130 0.000 1.162 613 A HN 0.775 nan 8.150 nan 0.000 0.486 614 R N 1.695 122.190 120.500 -0.008 0.000 2.112 614 R HA -0.017 4.345 4.340 0.038 0.000 0.216 614 R C 0.720 177.049 176.300 0.048 0.000 1.080 614 R CA 0.513 56.630 56.100 0.028 0.000 0.996 614 R CB -0.099 30.208 30.300 0.012 0.000 0.902 614 R HN 0.926 nan 8.270 nan 0.000 0.449 615 N N 1.998 120.715 118.700 0.029 0.000 2.345 615 N HA -0.132 4.630 4.740 0.038 0.000 0.243 615 N C 0.426 175.984 175.510 0.080 0.000 1.246 615 N CA 0.339 53.412 53.050 0.038 0.000 0.863 615 N CB 0.786 39.282 38.487 0.016 0.000 1.096 615 N HN 0.054 nan 8.380 nan 0.000 0.446 616 R N 1.527 122.074 120.500 0.078 0.000 2.120 616 R HA -0.128 4.235 4.340 0.038 0.000 0.234 616 R C 2.001 178.405 176.300 0.172 0.000 1.123 616 R CA 1.541 57.704 56.100 0.105 0.000 0.975 616 R CB -0.375 29.955 30.300 0.049 0.000 0.866 616 R HN 0.807 nan 8.270 nan 0.000 0.446 617 A N 0.072 122.968 122.820 0.127 0.000 1.902 617 A HA 0.121 4.463 4.320 0.038 0.000 0.217 617 A C 1.092 178.799 177.584 0.205 0.000 1.181 617 A CA 1.638 53.758 52.037 0.139 0.000 0.623 617 A CB -0.555 18.480 19.000 0.058 0.000 0.818 617 A HN 0.589 nan 8.150 nan 0.000 0.443 618 G N -1.883 106.940 108.800 0.038 0.000 2.422 618 G HA2 0.126 4.109 3.960 0.038 0.000 0.607 618 G HA3 0.126 4.109 3.960 0.038 0.000 0.607 618 G C -0.569 174.169 174.900 -0.270 0.000 1.270 618 G CA -0.086 44.787 45.100 -0.377 0.000 0.992 618 G HN 0.640 nan 8.290 nan 0.000 0.499 619 K N -0.069 120.120 120.400 -0.353 0.000 2.471 619 K HA 0.683 5.026 4.320 0.038 0.000 0.252 619 K C 0.156 176.663 176.600 -0.153 0.000 0.938 619 K CA -0.182 55.989 56.287 -0.192 0.000 0.796 619 K CB 1.638 34.043 32.500 -0.159 0.000 1.161 619 K HN 1.504 nan 8.250 nan 0.000 0.425 620 A N 5.454 128.220 122.820 -0.090 0.000 2.655 620 A HA 0.077 4.420 4.320 0.038 0.000 0.297 620 A C 0.526 178.094 177.584 -0.027 0.000 1.461 620 A CA -0.189 51.818 52.037 -0.050 0.000 1.146 620 A CB -0.394 18.585 19.000 -0.035 0.000 1.108 620 A HN 0.784 nan 8.150 nan 0.000 0.550 621 L N 3.794 125.017 121.223 -0.001 0.000 2.129 621 L HA 0.438 4.801 4.340 0.038 0.000 0.200 621 L C 0.865 177.835 176.870 0.166 0.000 1.159 621 L CA 1.080 55.963 54.840 0.072 0.000 0.795 621 L CB -0.139 41.968 42.059 0.081 0.000 0.951 621 L HN 0.617 nan 8.230 nan 0.000 0.463 622 I N 0.128 120.806 120.570 0.179 0.000 2.359 622 I HA 0.247 4.439 4.170 0.038 0.000 0.294 622 I C -0.716 175.468 176.117 0.112 0.000 0.987 622 I CA -0.337 61.095 61.300 0.220 0.000 1.225 622 I CB 1.352 39.443 38.000 0.152 0.000 1.366 622 I HN 0.214 nan 8.210 nan 0.000 0.466 623 T N 8.268 122.880 114.554 0.097 0.000 2.780 623 T HA 0.391 4.764 4.350 0.038 0.000 0.294 623 T C -0.109 174.604 174.700 0.021 0.000 0.949 623 T CA -0.298 61.823 62.100 0.036 0.000 1.074 623 T CB 0.463 69.333 68.868 0.004 0.000 0.910 623 T HN 0.362 nan 8.240 nan 0.000 0.501 624 L N 5.875 127.102 121.223 0.008 0.000 2.257 624 L HA 0.367 4.729 4.340 0.038 0.000 0.290 624 L C -1.820 175.033 176.870 -0.027 0.000 1.044 624 L CA -2.090 52.748 54.840 -0.003 0.000 0.810 624 L CB 0.559 42.611 42.059 -0.012 0.000 1.193 624 L HN 0.397 nan 8.230 nan 0.000 0.425 625 P HA -0.028 nan 4.420 nan 0.000 0.271 625 P C -0.706 176.576 177.300 -0.031 0.000 1.238 625 P CA -0.561 62.517 63.100 -0.037 0.000 0.794 625 P CB 0.289 31.975 31.700 -0.024 0.000 0.959 626 E N 0.715 120.900 120.200 -0.025 0.000 2.585 626 E HA -0.114 4.259 4.350 0.038 0.000 0.252 626 E C -0.472 176.108 176.600 -0.032 0.000 0.981 626 E CA -0.086 56.299 56.400 -0.025 0.000 0.943 626 E CB -0.981 28.713 29.700 -0.011 0.000 0.923 626 E HN 0.289 nan 8.360 nan 0.000 0.486 627 N N 0.359 119.019 118.700 -0.067 0.000 2.725 627 N HA -0.234 4.529 4.740 0.038 0.000 0.249 627 N C -0.981 174.416 175.510 -0.188 0.000 1.103 627 N CA 1.093 54.077 53.050 -0.111 0.000 0.707 627 N CB -1.244 37.229 38.487 -0.023 0.000 1.043 627 N HN 0.727 nan 8.380 nan 0.000 0.553 628 A N -0.423 122.279 122.820 -0.198 0.000 2.295 628 A HA 0.751 5.093 4.320 0.038 0.000 0.318 628 A C -0.176 177.212 177.584 -0.327 0.000 1.134 628 A CA -0.363 51.587 52.037 -0.145 0.000 0.827 628 A CB 0.721 19.716 19.000 -0.008 0.000 1.136 628 A HN 0.387 nan 8.150 nan 0.000 0.493 629 H N -0.882 118.226 119.070 0.065 0.000 2.679 629 H HA 0.504 5.082 4.556 0.038 0.000 0.367 629 H C -0.540 174.842 175.328 0.090 0.000 1.162 629 H CA -0.792 55.302 56.048 0.077 0.000 1.181 629 H CB 1.471 31.277 29.762 0.073 0.000 1.693 629 H HN 0.365 nan 8.280 nan 0.000 0.538 630 V N 3.436 123.498 119.914 0.247 0.000 2.508 630 V HA 0.031 4.174 4.120 0.038 0.000 0.281 630 V C 0.445 176.641 176.094 0.171 0.000 1.041 630 V CA -0.395 62.018 62.300 0.189 0.000 1.016 630 V CB 0.176 32.142 31.823 0.239 0.000 0.984 630 V HN 0.629 nan 8.190 nan 0.000 0.478 631 M N 6.250 125.857 119.600 0.012 0.000 2.243 631 M HA 0.269 4.772 4.480 0.038 0.000 0.341 631 M C -2.273 173.856 176.300 -0.285 0.000 1.130 631 M CA -2.546 52.720 55.300 -0.056 0.000 1.162 631 M CB -0.232 32.321 32.600 -0.078 0.000 1.497 631 M HN 0.283 nan 8.290 nan 0.000 0.456 632 P HA 0.118 nan 4.420 nan 0.000 0.260 632 P C -2.306 174.823 177.300 -0.286 0.000 1.207 632 P CA -0.528 62.399 63.100 -0.288 0.000 0.780 632 P CB -0.453 31.204 31.700 -0.072 0.000 0.789 633 P HA -0.009 nan 4.420 nan 0.000 0.266 633 P C -0.582 176.618 177.300 -0.166 0.000 1.195 633 P CA 0.280 63.249 63.100 -0.218 0.000 0.768 633 P CB 0.422 32.022 31.700 -0.166 0.000 0.838 634 V N 3.991 123.815 119.914 -0.150 0.000 2.370 634 V HA 0.124 4.267 4.120 0.038 0.000 0.279 634 V C 0.310 176.357 176.094 -0.078 0.000 1.029 634 V CA -0.719 61.503 62.300 -0.130 0.000 0.870 634 V CB 1.694 33.431 31.823 -0.142 0.000 0.984 634 V HN 0.229 nan 8.190 nan 0.000 0.451 635 V N 6.879 126.756 119.914 -0.061 0.000 2.381 635 V HA 0.190 4.332 4.120 0.038 0.000 0.257 635 V C 0.429 176.507 176.094 -0.027 0.000 1.057 635 V CA 0.029 62.306 62.300 -0.039 0.000 1.013 635 V CB 0.030 31.828 31.823 -0.043 0.000 1.069 635 V HN 0.639 nan 8.190 nan 0.000 0.484 636 I N 5.045 125.604 120.570 -0.018 0.000 2.505 636 I HA 0.095 4.287 4.170 0.038 0.000 0.287 636 I C 1.194 177.308 176.117 -0.005 0.000 1.104 636 I CA 0.449 61.743 61.300 -0.010 0.000 1.387 636 I CB 0.335 38.335 38.000 -0.001 0.000 1.404 636 I HN 0.652 nan 8.210 nan 0.000 0.528 637 E N 4.382 124.579 120.200 -0.004 0.000 2.476 637 E HA 0.120 4.492 4.350 0.038 0.000 0.196 637 E C -0.420 176.180 176.600 0.001 0.000 1.029 637 E CA 0.113 56.511 56.400 -0.003 0.000 0.896 637 E CB 0.598 30.295 29.700 -0.004 0.000 1.012 637 E HN 0.552 nan 8.360 nan 0.000 0.475 638 D N -0.597 119.805 120.400 0.003 0.000 2.530 638 D HA 0.085 4.748 4.640 0.038 0.000 0.193 638 D C 0.059 176.364 176.300 0.008 0.000 1.243 638 D CA -0.070 53.934 54.000 0.006 0.000 0.803 638 D CB 1.206 42.009 40.800 0.005 0.000 1.955 638 D HN -0.037 nan 8.370 nan 0.000 0.529 639 A N 2.244 125.072 122.820 0.014 0.000 2.139 639 A HA -0.157 4.186 4.320 0.038 0.000 0.221 639 A C 1.823 179.417 177.584 0.018 0.000 1.159 639 A CA 2.209 54.258 52.037 0.019 0.000 0.662 639 A CB -0.269 18.746 19.000 0.024 0.000 0.796 639 A HN 0.551 nan 8.150 nan 0.000 0.463 640 S N -0.485 115.222 115.700 0.013 0.000 2.528 640 S HA 0.039 4.532 4.470 0.038 0.000 0.219 640 S C 0.164 174.767 174.600 0.004 0.000 0.985 640 S CA -0.063 58.144 58.200 0.012 0.000 0.914 640 S CB -0.257 62.949 63.200 0.011 0.000 0.776 640 S HN 0.424 nan 8.310 nan 0.000 0.526 641 D N 2.175 122.573 120.400 -0.003 0.000 2.361 641 D HA 0.256 4.918 4.640 0.038 0.000 0.239 641 D C 0.291 176.571 176.300 -0.034 0.000 1.200 641 D CA 0.343 54.335 54.000 -0.014 0.000 0.915 641 D CB 0.297 41.089 40.800 -0.013 0.000 1.170 641 D HN 0.164 nan 8.370 nan 0.000 0.444 642 M N 0.824 120.395 119.600 -0.049 0.000 2.423 642 M HA 0.336 4.839 4.480 0.038 0.000 0.335 642 M C -0.167 176.043 176.300 -0.149 0.000 1.177 642 M CA -0.781 54.462 55.300 -0.095 0.000 1.038 642 M CB 1.218 33.777 32.600 -0.068 0.000 1.641 642 M HN 0.285 nan 8.290 nan 0.000 0.455 643 L N 3.252 124.290 121.223 -0.308 0.000 2.289 643 L HA 0.565 4.928 4.340 0.038 0.000 0.285 643 L C -1.541 175.145 176.870 -0.306 0.000 1.049 643 L CA -0.723 53.893 54.840 -0.374 0.000 0.804 643 L CB 0.996 42.630 42.059 -0.708 0.000 1.195 643 L HN 0.630 nan 8.230 nan 0.000 0.428 644 L N 5.368 126.513 121.223 -0.130 0.000 2.325 644 L HA 0.731 5.094 4.340 0.038 0.000 0.281 644 L C -0.559 176.313 176.870 0.005 0.000 1.004 644 L CA -0.036 54.776 54.840 -0.046 0.000 0.823 644 L CB 1.614 43.678 42.059 0.010 0.000 1.236 644 L HN 0.695 nan 8.230 nan 0.000 0.415 645 A N 6.568 129.395 122.820 0.011 0.000 2.303 645 A HA 0.825 5.168 4.320 0.038 0.000 0.320 645 A C -0.883 176.730 177.584 0.049 0.000 1.192 645 A CA -0.413 51.649 52.037 0.041 0.000 0.821 645 A CB 0.470 19.506 19.000 0.060 0.000 1.188 645 A HN 0.642 nan 8.150 nan 0.000 0.492 646 I N 1.609 122.214 120.570 0.057 0.000 2.436 646 I HA 0.361 4.553 4.170 0.038 0.000 0.289 646 I C 0.309 176.453 176.117 0.046 0.000 1.010 646 I CA -0.417 60.913 61.300 0.049 0.000 1.098 646 I CB 2.310 40.342 38.000 0.054 0.000 1.266 646 I HN 0.561 nan 8.210 nan 0.000 0.434 647 T N 3.146 117.722 114.554 0.037 0.000 2.934 647 T HA 0.176 4.549 4.350 0.038 0.000 0.283 647 T C 0.911 175.631 174.700 0.033 0.000 1.005 647 T CA -0.188 61.932 62.100 0.034 0.000 1.041 647 T CB 1.424 70.309 68.868 0.029 0.000 1.042 647 T HN 0.653 nan 8.240 nan 0.000 0.505 648 Q N 1.416 121.236 119.800 0.034 0.000 2.297 648 Q HA -0.101 4.261 4.340 0.038 0.000 0.208 648 Q C 2.082 178.098 176.000 0.027 0.000 0.981 648 Q CA 1.448 57.270 55.803 0.032 0.000 0.876 648 Q CB -0.104 28.654 28.738 0.034 0.000 0.921 648 Q HN 0.744 nan 8.270 nan 0.000 0.446 649 A N -0.499 122.336 122.820 0.025 0.000 2.081 649 A HA 0.272 4.615 4.320 0.038 0.000 0.214 649 A C 1.414 179.008 177.584 0.018 0.000 1.158 649 A CA 0.950 53.000 52.037 0.021 0.000 0.724 649 A CB 0.166 19.178 19.000 0.020 0.000 0.826 649 A HN 0.420 nan 8.150 nan 0.000 0.463 650 G N -0.921 107.891 108.800 0.020 0.000 2.155 650 G HA2 -0.133 3.849 3.960 0.038 0.000 0.135 650 G HA3 -0.133 3.849 3.960 0.038 0.000 0.135 650 G C -0.061 174.848 174.900 0.015 0.000 1.023 650 G CA -0.212 44.898 45.100 0.016 0.000 0.688 650 G HN 0.495 nan 8.290 nan 0.000 0.499 651 R N -0.361 120.150 120.500 0.019 0.000 2.428 651 R HA 0.767 5.130 4.340 0.038 0.000 0.294 651 R C 0.295 176.609 176.300 0.023 0.000 1.000 651 R CA -0.292 55.819 56.100 0.019 0.000 0.960 651 R CB 1.042 31.354 30.300 0.019 0.000 1.076 651 R HN 0.287 nan 8.270 nan 0.000 0.475 652 M N 3.063 122.677 119.600 0.023 0.000 2.456 652 M HA 0.433 4.935 4.480 0.038 0.000 0.324 652 M C -1.386 174.937 176.300 0.040 0.000 1.124 652 M CA -1.030 54.287 55.300 0.027 0.000 0.959 652 M CB 2.070 34.680 32.600 0.015 0.000 1.692 652 M HN 0.318 nan 8.290 nan 0.000 0.444 653 L N 3.304 124.561 121.223 0.057 0.000 2.409 653 L HA 0.777 5.140 4.340 0.038 0.000 0.262 653 L C -1.679 175.248 176.870 0.095 0.000 0.992 653 L CA -0.281 54.617 54.840 0.096 0.000 0.817 653 L CB 2.377 44.520 42.059 0.140 0.000 1.350 653 L HN 0.853 nan 8.230 nan 0.000 0.411 654 M N 4.704 124.378 119.600 0.124 0.000 2.386 654 M HA 0.692 5.195 4.480 0.038 0.000 0.293 654 M C -1.972 174.441 176.300 0.188 0.000 1.120 654 M CA -0.475 54.858 55.300 0.054 0.000 0.909 654 M CB 1.692 34.297 32.600 0.008 0.000 1.661 654 M HN 0.578 nan 8.290 nan 0.000 0.452 655 F N 2.525 122.480 119.950 0.008 0.000 2.668 655 F HA 0.833 5.383 4.527 0.038 0.000 0.309 655 F C -2.966 172.841 175.800 0.012 0.000 1.117 655 F CA -2.167 55.838 58.000 0.008 0.000 0.951 655 F CB 0.476 39.480 39.000 0.006 0.000 1.323 655 F HN 0.302 nan 8.300 nan 0.000 0.451 656 P HA -0.034 nan 4.420 nan 0.000 0.264 656 P C 0.768 178.107 177.300 0.064 0.000 1.193 656 P CA 0.130 63.264 63.100 0.057 0.000 0.763 656 P CB 1.822 33.577 31.700 0.092 0.000 0.810 657 V N 3.316 123.207 119.914 -0.039 0.000 2.469 657 V HA -0.167 3.975 4.120 0.038 0.000 0.251 657 V C 1.317 177.463 176.094 0.086 0.000 1.064 657 V CA 1.927 64.213 62.300 -0.023 0.000 1.066 657 V CB -0.635 31.157 31.823 -0.053 0.000 0.667 657 V HN 0.517 nan 8.190 nan 0.000 0.461 658 S N 0.785 116.533 115.700 0.079 0.000 4.117 658 S HA 0.088 4.581 4.470 0.038 0.000 0.191 658 S C 0.495 175.168 174.600 0.121 0.000 1.308 658 S CA 0.759 59.012 58.200 0.088 0.000 0.906 658 S CB -0.368 62.868 63.200 0.060 0.000 1.565 658 S HN 0.779 nan 8.310 nan 0.000 0.439 659 D N 0.206 120.711 120.400 0.175 0.000 2.301 659 D HA 0.030 4.693 4.640 0.038 0.000 0.532 659 D C -0.576 175.831 176.300 0.178 0.000 0.978 659 D CA -0.209 53.900 54.000 0.181 0.000 1.078 659 D CB -0.036 40.930 40.800 0.277 0.000 1.478 659 D HN 0.405 nan 8.370 nan 0.000 0.425 660 L N 2.369 123.751 121.223 0.264 0.000 2.272 660 L HA 0.622 4.985 4.340 0.038 0.000 0.289 660 L C -2.398 174.564 176.870 0.153 0.000 1.032 660 L CA -1.500 53.474 54.840 0.224 0.000 0.810 660 L CB 1.004 43.257 42.059 0.323 0.000 1.205 660 L HN -0.245 nan 8.230 nan 0.000 0.422 661 P HA -0.043 nan 4.420 nan 0.000 0.264 661 P C -1.402 175.972 177.300 0.123 0.000 1.179 661 P CA 0.188 63.346 63.100 0.096 0.000 0.763 661 P CB 0.298 32.043 31.700 0.075 0.000 0.806 662 Q N 2.713 122.567 119.800 0.091 0.000 2.296 662 Q HA 0.413 4.776 4.340 0.038 0.000 0.257 662 Q C -0.995 175.029 176.000 0.039 0.000 0.942 662 Q CA -0.318 55.543 55.803 0.097 0.000 0.939 662 Q CB 0.215 28.998 28.738 0.074 0.000 1.198 662 Q HN 0.386 nan 8.270 nan 0.000 0.429 663 L N 1.569 122.800 121.223 0.014 0.000 2.242 663 L HA 0.535 4.898 4.340 0.038 0.000 0.261 663 L C 0.406 177.145 176.870 -0.217 0.000 1.052 663 L CA -0.653 54.072 54.840 -0.193 0.000 0.972 663 L CB 1.870 43.656 42.059 -0.456 0.000 1.562 663 L HN 0.655 nan 8.230 nan 0.000 0.509 664 S N -1.739 113.738 115.700 -0.372 0.000 2.691 664 S HA 0.199 4.691 4.470 0.038 0.000 0.258 664 S C -0.413 174.001 174.600 -0.310 0.000 1.078 664 S CA -0.288 57.777 58.200 -0.225 0.000 1.000 664 S CB 0.982 64.103 63.200 -0.131 0.000 0.942 664 S HN 0.634 nan 8.310 nan 0.000 0.521 665 K N -0.272 119.817 120.400 -0.519 0.000 2.617 665 K HA 0.678 5.020 4.320 0.038 0.000 0.293 665 K C -0.274 176.055 176.600 -0.453 0.000 1.034 665 K CA -0.508 55.536 56.287 -0.405 0.000 0.884 665 K CB 0.823 33.232 32.500 -0.152 0.000 1.541 665 K HN 0.275 nan 8.250 nan 0.000 0.409 666 G N 0.629 109.328 108.800 -0.168 0.000 2.422 666 G HA2 -0.170 3.812 3.960 0.038 0.000 0.607 666 G HA3 -0.170 3.812 3.960 0.038 0.000 0.607 666 G C -0.192 174.761 174.900 0.089 0.000 1.270 666 G CA -0.084 44.971 45.100 -0.075 0.000 0.992 666 G HN 0.737 nan 8.290 nan 0.000 0.499 667 K N 0.041 120.470 120.400 0.047 0.000 2.211 667 K HA 0.298 4.641 4.320 0.038 0.000 0.203 667 K C 1.513 178.244 176.600 0.219 0.000 1.050 667 K CA 2.024 58.350 56.287 0.066 0.000 0.945 667 K CB -0.585 31.856 32.500 -0.098 0.000 0.732 667 K HN 2.429 nan 8.250 nan 0.000 0.451 668 G N 0.482 109.428 108.800 0.243 0.000 2.760 668 G HA2 -0.224 3.759 3.960 0.038 0.000 0.246 668 G HA3 -0.224 3.759 3.960 0.038 0.000 0.246 668 G C -0.993 174.094 174.900 0.312 0.000 1.359 668 G CA -0.423 44.904 45.100 0.378 0.000 0.861 668 G HN 0.353 nan 8.290 nan 0.000 0.541 669 N N 0.134 119.019 118.700 0.308 0.000 2.485 669 N HA 0.342 5.104 4.740 0.038 0.000 0.280 669 N C 0.324 175.986 175.510 0.253 0.000 1.205 669 N CA -0.616 52.602 53.050 0.281 0.000 0.959 669 N CB 0.989 39.566 38.487 0.150 0.000 1.206 669 N HN 0.616 nan 8.380 nan 0.000 0.545 670 K N 0.943 121.383 120.400 0.066 0.000 2.485 670 K HA 0.094 4.436 4.320 0.038 0.000 0.277 670 K C 0.701 177.223 176.600 -0.130 0.000 0.990 670 K CA 0.372 56.478 56.287 -0.301 0.000 0.994 670 K CB 0.661 32.981 32.500 -0.299 0.000 0.906 670 K HN 0.466 nan 8.250 nan 0.000 0.488 671 I N 1.952 122.444 120.570 -0.130 0.000 3.673 671 I HA 0.170 4.363 4.170 0.038 0.000 0.281 671 I C 0.489 176.631 176.117 0.041 0.000 1.182 671 I CA 0.066 61.401 61.300 0.059 0.000 1.391 671 I CB 0.557 38.633 38.000 0.128 0.000 1.383 671 I HN 0.463 nan 8.210 nan 0.000 0.456 672 I N 0.729 121.269 120.570 -0.051 0.000 2.644 672 I HA 0.300 4.492 4.170 0.038 0.000 0.291 672 I C -1.151 174.904 176.117 -0.103 0.000 1.180 672 I CA -0.665 60.613 61.300 -0.036 0.000 1.040 672 I CB 1.754 39.769 38.000 0.025 0.000 1.255 672 I HN -0.028 nan 8.210 nan 0.000 0.422 673 N N 7.747 126.397 118.700 -0.083 0.000 2.431 673 N HA 0.374 5.137 4.740 0.038 0.000 0.265 673 N C -1.437 174.050 175.510 -0.038 0.000 1.184 673 N CA 0.496 53.498 53.050 -0.081 0.000 0.943 673 N CB 0.224 38.680 38.487 -0.051 0.000 1.080 673 N HN 0.496 nan 8.380 nan 0.000 0.477 674 I N 4.575 125.127 120.570 -0.030 0.000 2.500 674 I HA 0.305 4.497 4.170 0.038 0.000 0.286 674 I C -2.159 173.984 176.117 0.042 0.000 1.063 674 I CA -2.067 59.241 61.300 0.013 0.000 1.062 674 I CB 2.198 40.213 38.000 0.025 0.000 1.223 674 I HN 0.399 nan 8.210 nan 0.000 0.435 675 P HA 0.070 nan 4.420 nan 0.000 0.261 675 P C 0.627 177.970 177.300 0.071 0.000 1.173 675 P CA 0.354 63.487 63.100 0.055 0.000 0.760 675 P CB 0.702 32.426 31.700 0.040 0.000 0.783 676 S N 3.133 118.885 115.700 0.087 0.000 2.368 676 S HA -0.286 4.207 4.470 0.038 0.000 0.226 676 S C 1.961 176.597 174.600 0.059 0.000 1.044 676 S CA 1.852 60.104 58.200 0.086 0.000 1.062 676 S CB -0.855 62.388 63.200 0.072 0.000 0.931 676 S HN 0.653 nan 8.310 nan 0.000 0.440 677 A N 1.346 124.194 122.820 0.046 0.000 1.917 677 A HA -0.210 4.133 4.320 0.038 0.000 0.219 677 A C 2.008 179.615 177.584 0.038 0.000 1.182 677 A CA 1.829 53.888 52.037 0.036 0.000 0.633 677 A CB -0.657 18.361 19.000 0.030 0.000 0.819 677 A HN 0.615 nan 8.150 nan 0.000 0.448 678 E N -0.493 119.731 120.200 0.041 0.000 2.204 678 E HA -0.008 4.365 4.350 0.038 0.000 0.194 678 E C 2.225 178.854 176.600 0.049 0.000 0.989 678 E CA 0.702 57.126 56.400 0.041 0.000 0.824 678 E CB -0.228 29.494 29.700 0.038 0.000 0.756 678 E HN 0.648 nan 8.360 nan 0.000 0.477 679 A N 1.503 124.358 122.820 0.059 0.000 1.872 679 A HA -0.022 4.320 4.320 0.038 0.000 0.214 679 A C 2.406 180.031 177.584 0.068 0.000 1.187 679 A CA 1.387 53.466 52.037 0.071 0.000 0.614 679 A CB -0.596 18.457 19.000 0.088 0.000 0.826 679 A HN 0.279 nan 8.150 nan 0.000 0.442 680 A N -0.082 122.770 122.820 0.054 0.000 1.908 680 A HA -0.177 4.166 4.320 0.038 0.000 0.218 680 A C 2.136 179.748 177.584 0.046 0.000 1.181 680 A CA 1.591 53.653 52.037 0.042 0.000 0.627 680 A CB -0.442 18.575 19.000 0.029 0.000 0.818 680 A HN 0.506 nan 8.150 nan 0.000 0.445 681 R N -1.153 119.373 120.500 0.044 0.000 2.328 681 R HA 0.150 4.512 4.340 0.038 0.000 0.200 681 R C 1.315 177.644 176.300 0.049 0.000 0.983 681 R CA 0.497 56.622 56.100 0.042 0.000 1.062 681 R CB -0.349 29.971 30.300 0.034 0.000 0.956 681 R HN 0.712 nan 8.270 nan 0.000 0.479 682 G N 1.063 109.901 108.800 0.063 0.000 2.180 682 G HA2 -0.362 3.621 3.960 0.038 0.000 0.263 682 G HA3 -0.362 3.621 3.960 0.038 0.000 0.263 682 G C 0.536 175.467 174.900 0.052 0.000 0.989 682 G CA 0.988 46.129 45.100 0.069 0.000 0.692 682 G HN 0.474 nan 8.290 nan 0.000 0.526 683 E N -0.097 120.130 120.200 0.045 0.000 1.997 683 E HA 0.018 4.391 4.350 0.038 0.000 0.196 683 E C 1.126 177.748 176.600 0.038 0.000 0.990 683 E CA 0.940 57.362 56.400 0.037 0.000 0.845 683 E CB 0.000 29.720 29.700 0.033 0.000 0.795 683 E HN 0.453 nan 8.360 nan 0.000 0.479 684 D N -0.687 119.737 120.400 0.039 0.000 2.432 684 D HA 0.466 5.128 4.640 0.038 0.000 0.258 684 D C -0.186 176.144 176.300 0.050 0.000 1.146 684 D CA 0.437 54.461 54.000 0.040 0.000 1.015 684 D CB 1.502 42.323 40.800 0.035 0.000 1.107 684 D HN 0.295 nan 8.370 nan 0.000 0.529 685 G N -0.273 108.556 108.800 0.049 0.000 2.352 685 G HA2 0.244 4.226 3.960 0.038 0.000 0.305 685 G HA3 0.244 4.226 3.960 0.038 0.000 0.305 685 G C -1.724 173.209 174.900 0.054 0.000 1.537 685 G CA -0.894 44.242 45.100 0.060 0.000 0.959 685 G HN 0.456 nan 8.290 nan 0.000 0.668 686 L N 1.554 122.811 121.223 0.057 0.000 2.433 686 L HA 0.647 5.009 4.340 0.038 0.000 0.275 686 L C 1.352 178.252 176.870 0.050 0.000 1.128 686 L CA 1.276 56.145 54.840 0.048 0.000 0.875 686 L CB 0.773 42.858 42.059 0.043 0.000 1.171 686 L HN 1.224 nan 8.230 nan 0.000 0.463 687 A N 4.298 127.147 122.820 0.048 0.000 1.993 687 A HA 0.269 4.611 4.320 0.038 0.000 0.207 687 A C 0.595 178.214 177.584 0.058 0.000 1.224 687 A CA 0.289 52.355 52.037 0.049 0.000 0.749 687 A CB 0.165 19.193 19.000 0.046 0.000 0.884 687 A HN 0.643 nan 8.150 nan 0.000 0.467 688 Q N -0.803 119.041 119.800 0.072 0.000 2.347 688 Q HA 0.628 4.990 4.340 0.038 0.000 0.271 688 Q C -2.018 174.041 176.000 0.098 0.000 1.064 688 Q CA -0.416 55.456 55.803 0.115 0.000 0.800 688 Q CB 2.235 31.088 28.738 0.193 0.000 1.304 688 Q HN 0.304 nan 8.270 nan 0.000 0.438 689 L N 2.438 123.680 121.223 0.031 0.000 2.528 689 L HA 0.526 4.889 4.340 0.038 0.000 0.267 689 L C -2.167 174.598 176.870 -0.175 0.000 0.961 689 L CA -0.260 54.565 54.840 -0.026 0.000 0.866 689 L CB 1.414 43.428 42.059 -0.075 0.000 1.248 689 L HN 0.520 nan 8.230 nan 0.000 0.404 690 Y N 3.319 123.582 120.300 -0.062 0.000 2.477 690 Y HA 0.714 5.287 4.550 0.038 0.000 0.347 690 Y C -0.605 175.241 175.900 -0.089 0.000 0.981 690 Y CA -0.796 57.267 58.100 -0.062 0.000 1.033 690 Y CB 2.625 41.057 38.460 -0.046 0.000 1.245 690 Y HN 0.267 nan 8.280 nan 0.000 0.455 691 V N 5.550 125.498 119.914 0.056 0.000 2.378 691 V HA 0.555 4.698 4.120 0.038 0.000 0.288 691 V C -0.983 175.137 176.094 0.043 0.000 1.016 691 V CA -0.588 61.713 62.300 0.003 0.000 0.840 691 V CB 0.892 32.691 31.823 -0.040 0.000 0.994 691 V HN 0.547 nan 8.190 nan 0.000 0.431 692 L N 4.121 125.358 121.223 0.023 0.000 2.393 692 L HA 0.839 5.201 4.340 0.038 0.000 0.260 692 L C -2.907 173.961 176.870 -0.002 0.000 1.002 692 L CA -2.475 52.379 54.840 0.023 0.000 0.818 692 L CB 1.051 43.121 42.059 0.019 0.000 1.369 692 L HN 0.208 nan 8.230 nan 0.000 0.412 693 P HA 0.112 nan 4.420 nan 0.000 0.266 693 P C -2.518 174.776 177.300 -0.011 0.000 1.186 693 P CA -0.240 62.857 63.100 -0.006 0.000 0.767 693 P CB -0.375 31.323 31.700 -0.004 0.000 0.820 694 P HA 0.069 nan 4.420 nan 0.000 0.280 694 P C -0.482 176.812 177.300 -0.010 0.000 1.244 694 P CA 0.018 63.112 63.100 -0.010 0.000 0.784 694 P CB 0.475 32.172 31.700 -0.004 0.000 0.913 695 Q N -0.745 119.048 119.800 -0.012 0.000 2.459 695 Q HA -0.112 4.250 4.340 0.038 0.000 0.322 695 Q C -0.317 175.674 176.000 -0.016 0.000 1.427 695 Q CA 0.701 56.497 55.803 -0.012 0.000 0.861 695 Q CB -1.983 26.750 28.738 -0.008 0.000 1.137 695 Q HN 0.764 nan 8.270 nan 0.000 0.394 696 S N -1.660 114.027 115.700 -0.022 0.000 2.677 696 S HA 0.783 5.276 4.470 0.038 0.000 0.304 696 S C -0.027 174.552 174.600 -0.035 0.000 1.108 696 S CA -0.723 57.462 58.200 -0.026 0.000 0.944 696 S CB 2.566 65.751 63.200 -0.026 0.000 1.127 696 S HN 0.114 nan 8.310 nan 0.000 0.511 697 T N 1.736 116.267 114.554 -0.038 0.000 2.859 697 T HA 0.625 4.998 4.350 0.038 0.000 0.281 697 T C -0.612 174.051 174.700 -0.062 0.000 1.005 697 T CA -0.593 61.480 62.100 -0.046 0.000 1.025 697 T CB 0.505 69.351 68.868 -0.038 0.000 0.977 697 T HN 0.538 nan 8.240 nan 0.000 0.458 698 L N 2.037 123.214 121.223 -0.077 0.000 2.362 698 L HA 0.604 4.967 4.340 0.038 0.000 0.271 698 L C -0.049 176.756 176.870 -0.110 0.000 1.002 698 L CA -0.964 53.813 54.840 -0.104 0.000 0.818 698 L CB 2.087 44.065 42.059 -0.136 0.000 1.298 698 L HN 0.544 nan 8.230 nan 0.000 0.420 699 T N 3.294 117.772 114.554 -0.126 0.000 2.809 699 T HA 0.528 4.901 4.350 0.038 0.000 0.296 699 T C -0.053 174.483 174.700 -0.273 0.000 1.015 699 T CA -0.239 61.739 62.100 -0.203 0.000 0.954 699 T CB 0.667 69.403 68.868 -0.219 0.000 0.950 699 T HN 0.279 nan 8.240 nan 0.000 0.450 700 I N 4.419 124.845 120.570 -0.240 0.000 2.312 700 I HA 0.205 4.397 4.170 0.038 0.000 0.291 700 I C 0.448 176.438 176.117 -0.211 0.000 1.031 700 I CA -0.707 60.495 61.300 -0.164 0.000 1.293 700 I CB 0.532 38.476 38.000 -0.094 0.000 1.403 700 I HN 0.504 nan 8.210 nan 0.000 0.484 701 H N 6.356 125.412 119.070 -0.024 0.000 2.604 701 H HA 0.265 4.844 4.556 0.038 0.000 0.306 701 H C -0.512 174.814 175.328 -0.004 0.000 1.075 701 H CA -0.366 55.674 56.048 -0.012 0.000 1.357 701 H CB 1.730 31.487 29.762 -0.008 0.000 1.426 701 H HN 0.251 nan 8.280 nan 0.000 0.470 702 V N 4.020 123.981 119.914 0.078 0.000 2.260 702 V HA 0.291 4.434 4.120 0.038 0.000 0.263 702 V C 1.005 177.129 176.094 0.050 0.000 1.036 702 V CA 0.223 62.554 62.300 0.052 0.000 0.874 702 V CB 0.485 32.321 31.823 0.022 0.000 1.116 702 V HN 1.215 nan 8.190 nan 0.000 0.454 703 G N 3.836 112.672 108.800 0.060 0.000 2.523 703 G HA2 -0.244 3.739 3.960 0.038 0.000 0.271 703 G HA3 -0.244 3.739 3.960 0.038 0.000 0.271 703 G C 0.860 175.796 174.900 0.060 0.000 1.146 703 G CA 0.329 45.457 45.100 0.046 0.000 0.961 703 G HN 0.419 nan 8.290 nan 0.000 0.549 704 K N 1.425 121.851 120.400 0.044 0.000 2.418 704 K HA 0.116 4.459 4.320 0.038 0.000 0.195 704 K C 1.484 178.112 176.600 0.047 0.000 1.035 704 K CA 0.155 56.470 56.287 0.047 0.000 1.003 704 K CB 0.032 32.548 32.500 0.027 0.000 0.793 704 K HN 0.429 nan 8.250 nan 0.000 0.494 705 R N 1.422 121.942 120.500 0.032 0.000 2.491 705 R HA 0.103 4.466 4.340 0.038 0.000 0.283 705 R C -0.172 176.116 176.300 -0.020 0.000 1.072 705 R CA 0.354 56.458 56.100 0.005 0.000 1.048 705 R CB 0.411 30.709 30.300 -0.003 0.000 0.983 705 R HN -0.128 nan 8.270 nan 0.000 0.450 706 K N 3.483 123.842 120.400 -0.068 0.000 2.592 706 K HA 0.302 4.645 4.320 0.038 0.000 0.212 706 K C -0.519 175.990 176.600 -0.152 0.000 1.013 706 K CA -0.227 55.949 56.287 -0.185 0.000 1.034 706 K CB 0.908 33.297 32.500 -0.185 0.000 1.292 706 K HN 0.406 nan 8.250 nan 0.000 0.521 707 I N 2.767 123.254 120.570 -0.138 0.000 2.517 707 I HA 0.011 4.204 4.170 0.038 0.000 0.285 707 I C 0.362 176.408 176.117 -0.118 0.000 1.106 707 I CA 0.134 61.374 61.300 -0.100 0.000 1.402 707 I CB 0.239 38.196 38.000 -0.073 0.000 1.399 707 I HN 0.188 nan 8.210 nan 0.000 0.535 708 K N 7.454 127.799 120.400 -0.092 0.000 2.172 708 K HA 0.612 4.955 4.320 0.038 0.000 0.276 708 K C -0.856 175.703 176.600 -0.068 0.000 1.013 708 K CA -0.608 55.628 56.287 -0.086 0.000 0.913 708 K CB 1.574 34.032 32.500 -0.070 0.000 1.055 708 K HN 0.507 nan 8.250 nan 0.000 0.461 709 L N 4.220 125.401 121.223 -0.070 0.000 2.406 709 L HA 0.406 4.769 4.340 0.038 0.000 0.270 709 L C -0.095 176.745 176.870 -0.051 0.000 0.982 709 L CA -0.666 54.140 54.840 -0.056 0.000 0.843 709 L CB 1.611 43.634 42.059 -0.060 0.000 1.225 709 L HN 0.482 nan 8.230 nan 0.000 0.412 710 R N 3.493 123.970 120.500 -0.039 0.000 2.546 710 R HA 0.299 4.661 4.340 0.038 0.000 0.266 710 R C -1.411 174.872 176.300 -0.028 0.000 1.086 710 R CA -1.514 54.566 56.100 -0.033 0.000 1.160 710 R CB 0.426 30.711 30.300 -0.026 0.000 1.138 710 R HN 0.312 nan 8.270 nan 0.000 0.567 711 P HA -0.173 nan 4.420 nan 0.000 0.223 711 P C -0.027 177.265 177.300 -0.014 0.000 1.144 711 P CA 1.440 64.529 63.100 -0.019 0.000 0.783 711 P CB 0.203 31.894 31.700 -0.016 0.000 0.771 712 E N 0.197 120.388 120.200 -0.014 0.000 2.158 712 E HA -0.127 4.246 4.350 0.038 0.000 0.191 712 E C 1.766 178.360 176.600 -0.010 0.000 0.982 712 E CA 0.803 57.196 56.400 -0.010 0.000 0.823 712 E CB -0.231 29.462 29.700 -0.011 0.000 0.766 712 E HN 0.314 nan 8.360 nan 0.000 0.468 713 E N 0.601 120.793 120.200 -0.014 0.000 2.230 713 E HA -0.008 4.364 4.350 0.038 0.000 0.192 713 E C 1.839 178.432 176.600 -0.012 0.000 0.987 713 E CA 0.402 56.794 56.400 -0.014 0.000 0.841 713 E CB 0.167 29.855 29.700 -0.019 0.000 0.783 713 E HN 0.171 nan 8.360 nan 0.000 0.481 714 L N 0.260 121.475 121.223 -0.014 0.000 2.240 714 L HA -0.090 4.272 4.340 0.038 0.000 0.211 714 L C 2.038 178.907 176.870 -0.001 0.000 1.106 714 L CA 0.849 55.682 54.840 -0.012 0.000 0.793 714 L CB -0.230 41.817 42.059 -0.020 0.000 0.927 714 L HN 0.147 nan 8.230 nan 0.000 0.446 715 Q N 0.225 120.024 119.800 -0.001 0.000 2.364 715 Q HA -0.174 4.188 4.340 0.038 0.000 0.209 715 Q C 1.829 177.835 176.000 0.009 0.000 0.977 715 Q CA 1.152 56.958 55.803 0.006 0.000 0.885 715 Q CB 0.125 28.865 28.738 0.003 0.000 0.941 715 Q HN 0.432 nan 8.270 nan 0.000 0.464 716 K N -0.287 120.116 120.400 0.005 0.000 2.361 716 K HA -0.006 4.336 4.320 0.038 0.000 0.196 716 K C 1.413 178.020 176.600 0.011 0.000 1.039 716 K CA 0.832 57.123 56.287 0.007 0.000 1.001 716 K CB 0.645 33.146 32.500 0.002 0.000 0.795 716 K HN 0.128 nan 8.250 nan 0.000 0.495 717 V N -1.891 118.031 119.914 0.014 0.000 3.376 717 V HA 0.142 4.284 4.120 0.038 0.000 0.313 717 V C 0.273 176.391 176.094 0.040 0.000 1.393 717 V CA -0.464 61.850 62.300 0.023 0.000 1.125 717 V CB 0.021 31.855 31.823 0.018 0.000 1.037 717 V HN -0.104 nan 8.190 nan 0.000 0.440 718 T N 2.446 117.024 114.554 0.039 0.000 2.834 718 T HA 0.624 4.997 4.350 0.038 0.000 0.298 718 T C 0.476 175.215 174.700 0.064 0.000 0.966 718 T CA 0.890 63.026 62.100 0.059 0.000 1.141 718 T CB 0.889 69.785 68.868 0.046 0.000 0.905 718 T HN 0.863 nan 8.240 nan 0.000 0.535 719 G N 2.202 111.060 108.800 0.096 0.000 2.663 719 G HA2 0.508 4.490 3.960 0.038 0.000 0.299 719 G HA3 0.508 4.490 3.960 0.038 0.000 0.299 719 G C -1.437 173.488 174.900 0.043 0.000 1.372 719 G CA -0.876 44.260 45.100 0.061 0.000 0.781 719 G HN 0.583 nan 8.290 nan 0.000 0.491 720 E N 0.182 120.367 120.200 -0.026 0.000 2.373 720 E HA 0.232 4.605 4.350 0.038 0.000 0.267 720 E C 0.458 176.922 176.600 -0.226 0.000 1.032 720 E CA -0.272 56.060 56.400 -0.115 0.000 0.889 720 E CB 1.343 30.989 29.700 -0.090 0.000 0.984 720 E HN 0.440 nan 8.360 nan 0.000 0.425 721 R N 1.072 121.277 120.500 -0.491 0.000 2.543 721 R HA 0.163 4.525 4.340 0.038 0.000 0.277 721 R C 0.740 176.840 176.300 -0.332 0.000 1.074 721 R CA 1.069 56.733 56.100 -0.726 0.000 1.076 721 R CB 0.252 29.787 30.300 -1.275 0.000 0.993 721 R HN 0.763 nan 8.270 nan 0.000 0.459 722 G N 2.872 111.536 108.800 -0.226 0.000 2.234 722 G HA2 -0.218 3.765 3.960 0.038 0.000 0.235 722 G HA3 -0.218 3.765 3.960 0.038 0.000 0.235 722 G C -0.020 174.821 174.900 -0.098 0.000 0.997 722 G CA -0.251 44.760 45.100 -0.149 0.000 0.623 722 G HN 0.544 nan 8.290 nan 0.000 0.514 723 R N 0.659 121.111 120.500 -0.080 0.000 2.641 723 R HA 0.320 4.682 4.340 0.038 0.000 0.269 723 R C 1.886 178.173 176.300 -0.022 0.000 1.074 723 R CA 0.209 56.284 56.100 -0.042 0.000 1.133 723 R CB 0.173 30.456 30.300 -0.029 0.000 1.029 723 R HN 0.710 nan 8.270 nan 0.000 0.488 724 R N 0.547 121.039 120.500 -0.013 0.000 2.280 724 R HA 0.065 4.428 4.340 0.038 0.000 0.207 724 R C 0.625 176.931 176.300 0.010 0.000 1.043 724 R CA 0.665 56.763 56.100 -0.004 0.000 1.006 724 R CB -0.240 30.059 30.300 -0.001 0.000 0.885 724 R HN 0.769 nan 8.270 nan 0.000 0.467 725 G N 0.399 109.208 108.800 0.015 0.000 2.787 725 G HA2 -0.236 3.747 3.960 0.038 0.000 0.685 725 G HA3 -0.236 3.747 3.960 0.038 0.000 0.685 725 G C -0.628 174.284 174.900 0.019 0.000 1.437 725 G CA -0.290 44.825 45.100 0.026 0.000 0.872 725 G HN 0.203 nan 8.290 nan 0.000 0.566 726 T N 1.410 115.976 114.554 0.020 0.000 2.884 726 T HA 0.425 4.798 4.350 0.038 0.000 0.298 726 T C 0.737 175.444 174.700 0.012 0.000 0.998 726 T CA -0.073 62.036 62.100 0.014 0.000 1.124 726 T CB 1.349 70.225 68.868 0.013 0.000 0.931 726 T HN 0.891 nan 8.240 nan 0.000 0.531 727 L N 4.434 125.663 121.223 0.010 0.000 2.380 727 L HA 0.397 4.760 4.340 0.038 0.000 0.273 727 L C -0.389 176.485 176.870 0.006 0.000 1.138 727 L CA 0.289 55.135 54.840 0.009 0.000 0.832 727 L CB 0.214 42.278 42.059 0.008 0.000 1.124 727 L HN 0.512 nan 8.230 nan 0.000 0.454 728 M N 5.278 124.881 119.600 0.005 0.000 2.321 728 M HA 0.397 4.900 4.480 0.038 0.000 0.315 728 M C -0.305 175.995 176.300 0.001 0.000 1.052 728 M CA -0.502 54.799 55.300 0.001 0.000 0.936 728 M CB 1.455 34.054 32.600 -0.002 0.000 1.639 728 M HN 0.567 nan 8.290 nan 0.000 0.433 729 R N 0.839 121.338 120.500 -0.001 0.000 2.449 729 R HA 0.339 4.702 4.340 0.038 0.000 0.296 729 R C 0.837 177.136 176.300 -0.002 0.000 1.047 729 R CA 1.264 57.364 56.100 -0.001 0.000 1.018 729 R CB 0.252 30.551 30.300 -0.002 0.000 0.962 729 R HN 0.979 nan 8.270 nan 0.000 0.428 730 G N 4.084 112.885 108.800 0.001 0.000 2.338 730 G HA2 -0.256 3.727 3.960 0.038 0.000 0.296 730 G HA3 -0.256 3.727 3.960 0.038 0.000 0.296 730 G C -0.413 174.487 174.900 0.001 0.000 1.040 730 G CA 0.276 45.377 45.100 0.002 0.000 1.004 730 G HN 0.495 nan 8.290 nan 0.000 0.509 731 L N 0.192 121.418 121.223 0.004 0.000 2.679 731 L HA 0.593 4.955 4.340 0.038 0.000 0.238 731 L C 0.144 177.022 176.870 0.013 0.000 1.330 731 L CA -0.313 54.530 54.840 0.005 0.000 0.935 731 L CB 0.545 42.605 42.059 0.001 0.000 1.243 731 L HN 0.449 nan 8.230 nan 0.000 0.484 732 Q N 0.727 120.536 119.800 0.015 0.000 2.451 732 Q HA 0.623 4.985 4.340 0.038 0.000 0.281 732 Q C -0.337 175.676 176.000 0.022 0.000 1.099 732 Q CA -1.031 54.784 55.803 0.019 0.000 0.806 732 Q CB 2.006 30.754 28.738 0.017 0.000 1.419 732 Q HN 0.231 nan 8.270 nan 0.000 0.427 733 R N 0.185 120.700 120.500 0.025 0.000 3.525 733 R HA -0.206 4.156 4.340 0.038 0.000 0.276 733 R C -0.843 175.477 176.300 0.033 0.000 1.116 733 R CA 0.080 56.196 56.100 0.026 0.000 0.745 733 R CB -2.067 28.245 30.300 0.021 0.000 1.185 733 R HN 0.459 nan 8.270 nan 0.000 0.454 734 I N 1.120 121.714 120.570 0.040 0.000 2.741 734 I HA -0.103 4.089 4.170 0.038 0.000 0.288 734 I C 1.382 177.537 176.117 0.062 0.000 1.192 734 I CA 0.862 62.194 61.300 0.052 0.000 1.426 734 I CB 0.605 38.639 38.000 0.057 0.000 1.367 734 I HN 0.104 nan 8.210 nan 0.000 0.563 735 D N 4.687 125.130 120.400 0.072 0.000 2.305 735 D HA 0.126 4.789 4.640 0.038 0.000 0.206 735 D C 0.661 177.001 176.300 0.067 0.000 0.974 735 D CA 0.645 54.682 54.000 0.061 0.000 0.871 735 D CB 0.270 41.101 40.800 0.051 0.000 0.947 735 D HN 0.398 nan 8.370 nan 0.000 0.516 736 R N -0.539 120.027 120.500 0.109 0.000 2.709 736 R HA 0.424 4.787 4.340 0.038 0.000 0.270 736 R C -2.361 174.036 176.300 0.161 0.000 1.038 736 R CA -0.548 55.621 56.100 0.115 0.000 0.872 736 R CB 1.225 31.529 30.300 0.007 0.000 1.259 736 R HN -0.173 nan 8.270 nan 0.000 0.473 737 V N 3.116 123.100 119.914 0.117 0.000 2.488 737 V HA 0.277 4.420 4.120 0.038 0.000 0.293 737 V C -0.625 175.438 176.094 -0.052 0.000 1.027 737 V CA -0.744 61.533 62.300 -0.039 0.000 0.862 737 V CB 1.544 33.156 31.823 -0.352 0.000 1.008 737 V HN 0.809 nan 8.190 nan 0.000 0.428 738 E N 5.386 125.594 120.200 0.014 0.000 2.222 738 E HA 0.777 5.150 4.350 0.038 0.000 0.272 738 E C -1.100 175.465 176.600 -0.058 0.000 0.982 738 E CA -0.922 55.486 56.400 0.013 0.000 0.842 738 E CB 2.551 32.317 29.700 0.109 0.000 1.144 738 E HN 0.541 nan 8.360 nan 0.000 0.397 739 I N 2.835 123.380 120.570 -0.042 0.000 2.354 739 I HA 0.197 4.390 4.170 0.038 0.000 0.286 739 I C -0.282 175.820 176.117 -0.026 0.000 1.007 739 I CA -0.816 60.453 61.300 -0.051 0.000 1.167 739 I CB 0.955 38.930 38.000 -0.042 0.000 1.320 739 I HN 0.496 nan 8.210 nan 0.000 0.458 740 D N 0.000 120.381 120.400 -0.031 0.000 6.856 740 D HA 0.000 4.663 4.640 0.038 0.000 0.175 740 D CA 0.000 53.987 54.000 -0.021 0.000 0.868 740 D CB 0.000 40.785 40.800 -0.025 0.000 0.688 740 D HN 0.000 nan 8.370 nan 0.000 0.683