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 3fwl_1_A DATA FIRST_RESID 66 DATA SEQUENCE LWLLLKLAIV FAVLIAIYGV YLDQKIRSRI DGKVWQLPAA VYGRXVNLEP DATA SEQUENCE DXTISKNEXV KLLEATQYRQ VSKXTRPGEF TVQANSIEXI RRPFDFPDSK DATA SEQUENCE EGQVRARLTF DGDHLATIVN XENNRQFGFF RLDPRLITXI SSPNGEQRLF DATA SEQUENCE VPRSGFPDLL VDTLLATEDR HFYEHDGISL YSIXXXXXXX XXXXXXXXXX DATA SEQUENCE XXLTQQLVKN LFLSSERSYW RKANEAYXAL IXDARYSKDR ILELYXNEVY DATA SEQUENCE LGQSGDNEIR GFPLASLYYF GRPVEELSLD QQALLVGXVK GASIYNPWRN DATA SEQUENCE PKLALERRNL VLRLLQQQQI IDQELYDXLS ARPXXXXXXX XVISPQPAFX DATA SEQUENCE QLVRQELQAK LGDKVKDLSG VKIFTTFDSV AQDAAEKAAV EGIPALKKQR DATA SEQUENCE KLSDLETAIV VVDRFSGEVR AXVGGSEPQF AGYNRAXQAR RSIGSLAKPA DATA SEQUENCE TYLTALSQPK IYRLNTWIAD APIALRQPNG QVWSPQNDDR RYSESGRVXL DATA SEQUENCE VDALTRSXNV PTVNLGXALG LPAVTETWIK LGVPKDQLHP VPAXLLGALN DATA SEQUENCE LTPIEVAQAF QTIASGGNRA PLSALRSVIA EDGKVLYQSF PQAERAVPAQ DATA SEQUENCE AAYLTLWTXQ QVVQRGTGRQ LGAKYPNLHL AGKTGTTNNN VDTWFAGIDG DATA SEQUENCE STVTITWVGR DNNQPTKLYG ASGAXSIYQR YLANQTPTPL NLVPPEDIAD DATA SEQUENCE XGVDYDGNFV CSGGXRILPV WTSDPQSLCQ QSE 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 66 L HA 0.000 nan 4.340 nan 0.000 0.249 66 L C 0.000 177.019 176.870 0.248 0.000 1.165 66 L CA 0.000 54.941 54.840 0.168 0.000 0.813 66 L CB 0.000 42.186 42.059 0.212 0.000 0.961 67 W N 0.811 122.116 121.300 0.009 0.000 2.055 67 W HA 0.482 5.141 4.660 -0.000 0.000 0.644 67 W C 1.244 177.771 176.519 0.012 0.000 1.508 67 W CA 0.803 58.155 57.345 0.011 0.000 0.956 67 W CB -0.964 28.501 29.460 0.009 0.000 3.478 67 W HN 0.800 nan 8.180 nan 0.000 0.744 68 L N -0.239 120.416 121.223 -0.946 0.000 4.423 68 L HA -0.388 3.952 4.340 -0.000 0.000 0.380 68 L C 1.215 177.840 176.870 -0.407 0.000 0.737 68 L CA 2.959 57.236 54.840 -0.937 0.000 2.597 68 L CB -2.267 39.434 42.059 -0.596 0.000 0.969 68 L HN 0.462 nan 8.230 nan 0.000 0.664 69 L N -0.483 120.632 121.223 -0.180 0.000 2.642 69 L HA 0.074 4.413 4.340 -0.000 0.000 0.236 69 L C 1.887 178.734 176.870 -0.039 0.000 1.169 69 L CA 1.852 56.658 54.840 -0.057 0.000 0.851 69 L CB -1.167 40.897 42.059 0.008 0.000 0.968 69 L HN 0.654 nan 8.230 nan 0.000 0.453 70 L N -1.053 120.108 121.223 -0.103 0.000 2.586 70 L HA 0.287 4.627 4.340 -0.000 0.000 0.204 70 L C 2.049 178.852 176.870 -0.112 0.000 1.053 70 L CA 1.148 55.960 54.840 -0.047 0.000 0.856 70 L CB -1.427 40.659 42.059 0.045 0.000 1.192 70 L HN 0.339 nan 8.230 nan 0.000 0.484 71 K N 1.525 121.750 120.400 -0.292 0.000 2.432 71 K HA 0.018 4.338 4.320 -0.000 0.000 0.196 71 K C 1.921 178.369 176.600 -0.254 0.000 1.038 71 K CA 1.507 57.616 56.287 -0.295 0.000 0.986 71 K CB -0.464 31.719 32.500 -0.529 0.000 0.782 71 K HN 0.492 nan 8.250 nan 0.000 0.485 72 L N -0.979 120.095 121.223 -0.249 0.000 2.286 72 L HA 0.352 4.691 4.340 -0.000 0.000 0.203 72 L C 2.295 179.130 176.870 -0.058 0.000 1.068 72 L CA 0.872 55.575 54.840 -0.229 0.000 0.811 72 L CB -0.308 41.595 42.059 -0.259 0.000 0.989 72 L HN 0.124 nan 8.230 nan 0.000 0.467 73 A N 1.519 124.358 122.820 0.032 0.000 1.927 73 A HA -0.272 4.048 4.320 -0.000 0.000 0.220 73 A C 2.235 179.889 177.584 0.117 0.000 1.185 73 A CA 2.584 54.698 52.037 0.129 0.000 0.639 73 A CB -1.172 17.867 19.000 0.067 0.000 0.820 73 A HN 0.752 nan 8.150 nan 0.000 0.451 74 I N -3.773 116.823 120.570 0.043 0.000 2.406 74 I HA 0.013 4.183 4.170 -0.000 0.000 0.249 74 I C 1.890 178.026 176.117 0.031 0.000 1.122 74 I CA 1.208 62.532 61.300 0.040 0.000 1.431 74 I CB -0.401 37.610 38.000 0.017 0.000 1.087 74 I HN -0.000 nan 8.210 nan 0.000 0.424 75 V N 0.405 120.301 119.914 -0.030 0.000 3.444 75 V HA -0.072 4.048 4.120 -0.000 0.000 0.271 75 V C 1.721 177.772 176.094 -0.072 0.000 1.188 75 V CA 1.282 63.534 62.300 -0.081 0.000 1.168 75 V CB -0.615 31.105 31.823 -0.172 0.000 0.810 75 V HN 0.436 nan 8.190 nan 0.000 0.500 76 F N -0.279 119.648 119.950 -0.038 0.000 2.553 76 F HA 0.503 5.030 4.527 -0.000 0.000 0.282 76 F C 1.797 177.586 175.800 -0.018 0.000 1.089 76 F CA -0.116 57.862 58.000 -0.035 0.000 1.411 76 F CB -0.634 38.341 39.000 -0.041 0.000 1.125 76 F HN 0.142 nan 8.300 nan 0.000 0.610 77 A N 0.193 123.134 122.820 0.203 0.000 2.227 77 A HA 0.318 4.637 4.320 -0.000 0.000 0.279 77 A C 1.880 179.530 177.584 0.109 0.000 1.367 77 A CA 1.536 53.646 52.037 0.122 0.000 0.824 77 A CB -0.685 18.370 19.000 0.091 0.000 1.214 77 A HN 1.012 nan 8.150 nan 0.000 0.514 78 V N -3.386 116.583 119.914 0.092 0.000 0.579 78 V HA -0.468 3.652 4.120 -0.000 0.000 0.092 78 V C 1.709 177.865 176.094 0.104 0.000 1.890 78 V CA 3.375 65.726 62.300 0.085 0.000 3.424 78 V CB -2.550 29.309 31.823 0.060 0.000 0.714 78 V HN 1.416 nan 8.190 nan 0.000 0.740 79 L N 0.259 121.543 121.223 0.101 0.000 2.265 79 L HA 0.117 4.456 4.340 -0.000 0.000 0.215 79 L C 2.582 179.533 176.870 0.135 0.000 1.117 79 L CA 1.951 56.857 54.840 0.109 0.000 0.782 79 L CB -1.061 41.046 42.059 0.081 0.000 0.914 79 L HN 0.709 nan 8.230 nan 0.000 0.441 80 I N 1.015 121.656 120.570 0.119 0.000 2.076 80 I HA -0.127 4.043 4.170 -0.000 0.000 0.237 80 I C 2.207 178.475 176.117 0.252 0.000 1.059 80 I CA 1.005 62.369 61.300 0.107 0.000 1.317 80 I CB -1.081 36.971 38.000 0.088 0.000 1.037 80 I HN 0.241 nan 8.210 nan 0.000 0.398 81 A N 0.518 123.468 122.820 0.217 0.000 2.227 81 A HA 0.215 4.535 4.320 -0.000 0.000 0.279 81 A C 1.509 179.215 177.584 0.203 0.000 1.367 81 A CA 0.656 52.816 52.037 0.205 0.000 0.824 81 A CB -0.269 18.812 19.000 0.136 0.000 1.214 81 A HN 0.551 nan 8.150 nan 0.000 0.514 82 I N -3.796 116.863 120.570 0.149 0.000 4.810 82 I HA -0.458 3.712 4.170 -0.000 0.000 0.042 82 I C 1.847 178.091 176.117 0.211 0.000 0.632 82 I CA 2.801 64.189 61.300 0.147 0.000 0.518 82 I CB -1.494 36.584 38.000 0.129 0.000 0.518 82 I HN 0.960 nan 8.210 nan 0.000 0.154 83 Y N 1.952 122.350 120.300 0.163 0.000 2.207 83 Y HA -0.120 4.430 4.550 -0.000 0.000 0.287 83 Y C 2.104 178.207 175.900 0.339 0.000 1.156 83 Y CA 2.486 60.754 58.100 0.281 0.000 1.182 83 Y CB -0.845 37.723 38.460 0.180 0.000 0.979 83 Y HN 0.340 nan 8.280 nan 0.000 0.521 84 G N 0.219 109.159 108.800 0.233 0.000 2.587 84 G HA2 -0.343 3.617 3.960 -0.000 0.000 0.217 84 G HA3 -0.343 3.617 3.960 -0.000 0.000 0.217 84 G C 1.782 176.658 174.900 -0.040 0.000 1.240 84 G CA 1.588 46.813 45.100 0.207 0.000 0.794 84 G HN 0.406 nan 8.290 nan 0.000 0.580 85 V N 0.565 120.494 119.914 0.024 0.000 2.370 85 V HA -0.261 3.859 4.120 -0.000 0.000 0.252 85 V C 2.385 178.443 176.094 -0.060 0.000 1.068 85 V CA 2.646 64.934 62.300 -0.020 0.000 1.061 85 V CB -0.637 31.201 31.823 0.025 0.000 0.656 85 V HN 0.591 nan 8.190 nan 0.000 0.455 86 Y N 1.981 122.200 120.300 -0.135 0.000 2.036 86 Y HA -0.182 4.368 4.550 -0.000 0.000 0.273 86 Y C 1.788 177.551 175.900 -0.228 0.000 1.135 86 Y CA 2.242 60.247 58.100 -0.158 0.000 1.106 86 Y CB -0.873 37.501 38.460 -0.144 0.000 0.976 86 Y HN 0.292 nan 8.280 nan 0.000 0.483 87 L N 0.357 120.731 121.223 -1.416 0.000 2.713 87 L HA 0.197 4.536 4.340 -0.000 0.000 0.245 87 L C -0.352 176.134 176.870 -0.640 0.000 1.169 87 L CA 0.891 54.956 54.840 -1.291 0.000 0.962 87 L CB -1.471 39.867 42.059 -1.202 0.000 1.161 87 L HN 0.289 nan 8.230 nan 0.000 0.427 88 D N -0.845 119.288 120.400 -0.445 0.000 2.431 88 D HA 0.077 4.717 4.640 -0.000 0.000 0.213 88 D C 1.546 177.721 176.300 -0.209 0.000 1.130 88 D CA 0.279 54.112 54.000 -0.278 0.000 0.834 88 D CB 0.755 41.440 40.800 -0.192 0.000 0.985 88 D HN 0.336 nan 8.370 nan 0.000 0.504 89 Q N -0.139 119.518 119.800 -0.238 0.000 2.511 89 Q HA 0.058 4.398 4.340 -0.000 0.000 0.236 89 Q C 1.939 177.867 176.000 -0.120 0.000 0.893 89 Q CA 0.517 56.239 55.803 -0.135 0.000 0.947 89 Q CB 0.128 28.821 28.738 -0.076 0.000 1.110 89 Q HN 0.211 nan 8.270 nan 0.000 0.591 90 K N 1.434 121.722 120.400 -0.186 0.000 2.167 90 K HA 0.017 4.336 4.320 -0.000 0.000 0.203 90 K C 1.799 178.321 176.600 -0.130 0.000 1.052 90 K CA 0.627 56.839 56.287 -0.125 0.000 0.956 90 K CB -0.139 32.286 32.500 -0.125 0.000 0.735 90 K HN 0.217 nan 8.250 nan 0.000 0.451 91 I N 0.889 121.301 120.570 -0.263 0.000 2.454 91 I HA -0.215 3.955 4.170 -0.000 0.000 0.254 91 I C 2.069 178.171 176.117 -0.024 0.000 1.156 91 I CA 0.891 62.028 61.300 -0.272 0.000 1.433 91 I CB 0.157 37.932 38.000 -0.375 0.000 1.082 91 I HN 0.160 nan 8.210 nan 0.000 0.432 92 R N -0.344 120.154 120.500 -0.003 0.000 2.064 92 R HA 0.066 4.405 4.340 -0.000 0.000 0.221 92 R C 1.980 178.314 176.300 0.057 0.000 1.136 92 R CA 0.886 57.042 56.100 0.094 0.000 0.980 92 R CB -0.833 29.482 30.300 0.023 0.000 0.876 92 R HN 0.160 nan 8.270 nan 0.000 0.437 93 S N 1.377 117.082 115.700 0.009 0.000 2.942 93 S HA 0.043 4.513 4.470 -0.000 0.000 0.244 93 S C 1.243 175.848 174.600 0.009 0.000 1.011 93 S CA 0.193 58.397 58.200 0.007 0.000 1.102 93 S CB -0.104 63.095 63.200 -0.001 0.000 0.812 93 S HN 0.162 nan 8.310 nan 0.000 0.486 94 R N -0.302 120.208 120.500 0.016 0.000 2.622 94 R HA 0.241 4.580 4.340 -0.000 0.000 0.180 94 R C 1.354 177.611 176.300 -0.071 0.000 0.813 94 R CA 0.306 56.404 56.100 -0.004 0.000 1.049 94 R CB -0.652 29.695 30.300 0.077 0.000 1.438 94 R HN 0.432 nan 8.270 nan 0.000 0.636 95 I N 2.799 123.336 120.570 -0.055 0.000 2.394 95 I HA -0.190 3.979 4.170 -0.000 0.000 0.251 95 I C 1.678 177.735 176.117 -0.100 0.000 1.136 95 I CA 1.381 62.590 61.300 -0.151 0.000 1.425 95 I CB -0.405 37.453 38.000 -0.237 0.000 1.079 95 I HN 0.127 nan 8.210 nan 0.000 0.425 96 D N 0.500 120.899 120.400 -0.001 0.000 2.106 96 D HA -0.111 4.529 4.640 -0.000 0.000 0.194 96 D C 1.851 178.132 176.300 -0.031 0.000 0.988 96 D CA 1.714 55.727 54.000 0.023 0.000 0.845 96 D CB -0.874 39.952 40.800 0.043 0.000 0.990 96 D HN 0.344 nan 8.370 nan 0.000 0.448 97 G N 0.986 109.762 108.800 -0.040 0.000 3.078 97 G HA2 -0.050 3.910 3.960 -0.000 0.000 0.163 97 G HA3 -0.050 3.910 3.960 -0.000 0.000 0.163 97 G C 0.279 175.125 174.900 -0.091 0.000 1.894 97 G CA -0.105 44.965 45.100 -0.050 0.000 0.951 97 G HN 0.217 nan 8.290 nan 0.000 0.446 98 K N 0.828 121.179 120.400 -0.082 0.000 2.416 98 K HA 0.100 4.420 4.320 -0.000 0.000 0.283 98 K C 0.541 177.028 176.600 -0.188 0.000 1.037 98 K CA 0.049 56.273 56.287 -0.104 0.000 0.995 98 K CB 1.472 33.938 32.500 -0.056 0.000 0.938 98 K HN 0.175 nan 8.250 nan 0.000 0.475 99 V N 4.618 124.350 119.914 -0.303 0.000 3.263 99 V HA 0.249 4.369 4.120 -0.000 0.000 0.248 99 V C -0.176 175.448 176.094 -0.784 0.000 1.145 99 V CA 0.236 62.160 62.300 -0.628 0.000 1.107 99 V CB 0.014 31.288 31.823 -0.915 0.000 0.797 99 V HN 0.771 nan 8.190 nan 0.000 0.467 100 W N -0.822 120.426 121.300 -0.087 0.000 3.069 100 W HA 0.514 5.174 4.660 -0.000 0.000 0.390 100 W C -0.967 175.519 176.519 -0.056 0.000 1.130 100 W CA -0.617 56.688 57.345 -0.068 0.000 1.138 100 W CB 1.131 30.556 29.460 -0.058 0.000 1.497 100 W HN -0.130 nan 8.180 nan 0.000 0.600 101 Q N 1.790 121.737 119.800 0.245 0.000 2.508 101 Q HA 0.449 4.789 4.340 -0.000 0.000 0.247 101 Q C -1.257 174.796 176.000 0.088 0.000 1.047 101 Q CA -0.043 55.831 55.803 0.118 0.000 0.783 101 Q CB 0.125 28.908 28.738 0.074 0.000 1.172 101 Q HN 0.341 nan 8.270 nan 0.000 0.515 102 L N 5.735 127.008 121.223 0.084 0.000 2.367 102 L HA 0.478 4.818 4.340 -0.000 0.000 0.275 102 L C -1.853 175.029 176.870 0.021 0.000 1.129 102 L CA -1.956 52.911 54.840 0.045 0.000 0.839 102 L CB 0.432 42.531 42.059 0.066 0.000 1.133 102 L HN 0.493 nan 8.230 nan 0.000 0.453 103 P HA 0.099 nan 4.420 nan 0.000 0.275 103 P C -0.818 176.476 177.300 -0.009 0.000 1.270 103 P CA -0.522 62.568 63.100 -0.016 0.000 0.791 103 P CB 0.520 32.195 31.700 -0.043 0.000 1.089 104 A N 0.543 123.353 122.820 -0.016 0.000 2.309 104 A HA 0.550 4.870 4.320 -0.000 0.000 0.290 104 A C 0.334 177.885 177.584 -0.056 0.000 1.206 104 A CA -0.354 51.676 52.037 -0.013 0.000 0.850 104 A CB -0.623 18.375 19.000 -0.004 0.000 1.118 104 A HN 0.561 nan 8.150 nan 0.000 0.523 105 A N 2.436 125.220 122.820 -0.061 0.000 2.477 105 A HA 0.491 4.811 4.320 -0.000 0.000 0.246 105 A C -0.010 177.428 177.584 -0.243 0.000 1.078 105 A CA -0.029 51.893 52.037 -0.191 0.000 0.770 105 A CB 0.033 18.940 19.000 -0.155 0.000 1.011 105 A HN 1.113 nan 8.150 nan 0.000 0.494 106 V N 3.821 123.518 119.914 -0.362 0.000 2.350 106 V HA 0.351 4.470 4.120 -0.000 0.000 0.285 106 V C -0.939 174.913 176.094 -0.402 0.000 1.014 106 V CA -0.221 61.918 62.300 -0.268 0.000 0.831 106 V CB 0.230 31.953 31.823 -0.166 0.000 1.000 106 V HN 0.777 nan 8.190 nan 0.000 0.433 107 Y N 2.337 122.502 120.300 -0.225 0.000 2.528 107 Y HA 0.762 5.312 4.550 -0.000 0.000 0.335 107 Y C 1.014 176.878 175.900 -0.061 0.000 1.093 107 Y CA 0.096 58.068 58.100 -0.213 0.000 1.134 107 Y CB 1.992 40.203 38.460 -0.415 0.000 1.253 107 Y HN 0.679 nan 8.280 nan 0.000 0.478 108 G N 0.982 109.880 108.800 0.164 0.000 2.714 108 G HA2 0.407 4.367 3.960 -0.000 0.000 0.197 108 G HA3 0.407 4.367 3.960 -0.000 0.000 0.197 108 G C -0.458 174.595 174.900 0.254 0.000 1.449 108 G CA -0.999 44.224 45.100 0.206 0.000 1.065 108 G HN 0.677 nan 8.290 nan 0.000 0.575 112 N N 2.703 121.405 118.700 0.003 0.000 2.524 112 N HA 0.560 5.299 4.740 -0.000 0.000 0.261 112 N C -1.207 174.342 175.510 0.066 0.000 0.998 112 N CA -0.717 52.341 53.050 0.014 0.000 0.915 112 N CB 1.563 40.033 38.487 -0.029 0.000 1.187 112 N HN 0.372 nan 8.380 nan 0.000 0.507 113 L N 2.556 123.838 121.223 0.098 0.000 2.452 113 L HA 0.265 4.605 4.340 -0.000 0.000 0.267 113 L C 0.619 177.585 176.870 0.160 0.000 1.188 113 L CA 0.329 55.248 54.840 0.132 0.000 0.821 113 L CB 0.014 42.182 42.059 0.181 0.000 1.102 113 L HN 0.624 nan 8.230 nan 0.000 0.470 114 E N 0.943 121.215 120.200 0.120 0.000 2.388 114 E HA 0.418 4.768 4.350 -0.000 0.000 0.282 114 E C -2.916 173.728 176.600 0.074 0.000 1.026 114 E CA -1.924 54.546 56.400 0.118 0.000 0.820 114 E CB 0.773 30.558 29.700 0.140 0.000 1.226 114 E HN 0.183 nan 8.360 nan 0.000 0.432 115 P HA 0.006 nan 4.420 nan 0.000 0.264 115 P C -0.735 176.597 177.300 0.052 0.000 1.179 115 P CA 0.946 64.072 63.100 0.043 0.000 0.763 115 P CB 0.254 31.973 31.700 0.033 0.000 0.806 119 I N 2.417 123.095 120.570 0.180 0.000 2.499 119 I HA 0.715 4.885 4.170 -0.000 0.000 0.288 119 I C 0.296 176.514 176.117 0.168 0.000 1.048 119 I CA -0.367 61.024 61.300 0.152 0.000 1.062 119 I CB 1.590 39.689 38.000 0.165 0.000 1.238 119 I HN 0.503 nan 8.210 nan 0.000 0.426 120 S N 6.037 121.740 115.700 0.004 0.000 2.624 120 S HA 0.256 4.726 4.470 -0.000 0.000 0.263 120 S C 1.074 175.343 174.600 -0.552 0.000 1.287 120 S CA -0.242 57.861 58.200 -0.161 0.000 0.990 120 S CB 1.546 64.666 63.200 -0.134 0.000 0.950 120 S HN 0.878 nan 8.310 nan 0.000 0.561 121 K N 1.006 120.841 120.400 -0.940 0.000 2.009 121 K HA -0.179 4.141 4.320 -0.000 0.000 0.210 121 K C 1.639 177.898 176.600 -0.568 0.000 1.049 121 K CA 1.883 57.392 56.287 -1.296 0.000 0.929 121 K CB -0.498 31.486 32.500 -0.861 0.000 0.714 121 K HN 0.677 nan 8.250 nan 0.000 0.440 122 N N 1.367 119.866 118.700 -0.335 0.000 2.104 122 N HA -0.168 4.572 4.740 -0.000 0.000 0.190 122 N C 0.782 176.193 175.510 -0.166 0.000 1.024 122 N CA 0.766 53.702 53.050 -0.190 0.000 0.853 122 N CB -0.407 38.003 38.487 -0.128 0.000 1.008 122 N HN 0.389 nan 8.380 nan 0.000 0.424 126 K N 1.132 121.475 120.400 -0.094 0.000 2.113 126 K HA -0.126 4.194 4.320 -0.000 0.000 0.208 126 K C 1.886 178.453 176.600 -0.055 0.000 1.047 126 K CA 2.023 58.277 56.287 -0.055 0.000 0.928 126 K CB -0.745 31.721 32.500 -0.057 0.000 0.716 126 K HN 0.398 nan 8.250 nan 0.000 0.446 127 L N 0.162 121.336 121.223 -0.082 0.000 1.976 127 L HA -0.123 4.216 4.340 -0.000 0.000 0.209 127 L C 1.787 178.615 176.870 -0.069 0.000 1.071 127 L CA 1.629 56.432 54.840 -0.062 0.000 0.746 127 L CB -0.850 41.173 42.059 -0.060 0.000 0.890 127 L HN 0.065 nan 8.230 nan 0.000 0.432 128 L N -0.067 121.040 121.223 -0.193 0.000 2.079 128 L HA -0.197 4.143 4.340 -0.000 0.000 0.210 128 L C 2.588 179.497 176.870 0.065 0.000 1.081 128 L CA 1.679 56.382 54.840 -0.229 0.000 0.752 128 L CB -1.083 40.528 42.059 -0.746 0.000 0.896 128 L HN 0.434 nan 8.230 nan 0.000 0.433 129 E N -1.055 119.171 120.200 0.044 0.000 2.208 129 E HA -0.093 4.257 4.350 -0.000 0.000 0.193 129 E C 2.131 178.815 176.600 0.140 0.000 0.988 129 E CA 0.848 57.359 56.400 0.186 0.000 0.828 129 E CB -0.157 29.653 29.700 0.183 0.000 0.763 129 E HN 0.477 nan 8.360 nan 0.000 0.478 130 A N 0.875 123.748 122.820 0.089 0.000 2.121 130 A HA -0.065 4.255 4.320 -0.000 0.000 0.218 130 A C 1.809 179.458 177.584 0.107 0.000 1.154 130 A CA 1.060 53.146 52.037 0.081 0.000 0.679 130 A CB -0.114 18.916 19.000 0.049 0.000 0.795 130 A HN 0.097 nan 8.150 nan 0.000 0.458 131 T N -0.879 113.766 114.554 0.152 0.000 3.174 131 T HA 0.241 4.591 4.350 -0.000 0.000 0.269 131 T C 0.270 175.090 174.700 0.200 0.000 1.017 131 T CA 0.204 62.414 62.100 0.185 0.000 0.899 131 T CB 0.394 69.401 68.868 0.231 0.000 1.077 131 T HN 0.464 nan 8.240 nan 0.000 0.552 132 Q N -1.371 118.528 119.800 0.165 0.000 2.406 132 Q HA -0.140 4.200 4.340 -0.000 0.000 0.164 132 Q C -0.466 175.568 176.000 0.057 0.000 0.570 132 Q CA 0.736 56.583 55.803 0.072 0.000 1.324 132 Q CB -1.784 26.940 28.738 -0.024 0.000 1.119 132 Q HN 0.627 nan 8.270 nan 0.000 1.026 133 Y N 1.220 121.626 120.300 0.177 0.000 2.330 133 Y HA 0.294 4.844 4.550 -0.000 0.000 0.341 133 Y C 1.262 177.414 175.900 0.420 0.000 1.278 133 Y CA 0.307 58.592 58.100 0.308 0.000 1.453 133 Y CB 0.582 39.257 38.460 0.358 0.000 1.342 133 Y HN -0.088 nan 8.280 nan 0.000 0.590 134 R N 1.163 121.951 120.500 0.480 0.000 2.502 134 R HA 0.205 4.545 4.340 -0.000 0.000 0.300 134 R C -1.275 174.686 176.300 -0.564 0.000 0.984 134 R CA -0.963 55.192 56.100 0.092 0.000 0.882 134 R CB 1.663 31.973 30.300 0.016 0.000 1.180 134 R HN 0.595 nan 8.270 nan 0.000 0.444 135 Q N 3.167 122.479 119.800 -0.814 0.000 2.262 135 Q HA 0.185 4.525 4.340 -0.000 0.000 0.272 135 Q C -0.253 175.456 176.000 -0.486 0.000 1.076 135 Q CA -0.217 54.922 55.803 -1.107 0.000 0.905 135 Q CB 0.637 29.107 28.738 -0.447 0.000 1.182 135 Q HN 0.509 nan 8.270 nan 0.000 0.390 136 V N 0.763 120.420 119.914 -0.428 0.000 3.103 136 V HA 0.484 4.604 4.120 -0.000 0.000 0.318 136 V C 0.866 176.882 176.094 -0.130 0.000 1.114 136 V CA 0.006 62.185 62.300 -0.201 0.000 1.020 136 V CB 1.434 33.174 31.823 -0.139 0.000 1.085 136 V HN 0.861 nan 8.190 nan 0.000 0.446 137 S N 0.363 116.017 115.700 -0.077 0.000 2.377 137 S HA 0.215 4.685 4.470 -0.000 0.000 0.223 137 S C 0.605 175.187 174.600 -0.030 0.000 1.030 137 S CA 0.646 58.819 58.200 -0.045 0.000 0.970 137 S CB -0.256 62.925 63.200 -0.033 0.000 0.830 137 S HN 0.819 nan 8.310 nan 0.000 0.473 141 R N 0.093 120.617 120.500 0.040 0.000 2.752 141 R HA 0.614 4.954 4.340 -0.000 0.000 0.277 141 R C -3.448 172.895 176.300 0.071 0.000 1.024 141 R CA -1.748 54.379 56.100 0.045 0.000 0.866 141 R CB 0.084 30.397 30.300 0.022 0.000 1.278 141 R HN -0.057 nan 8.270 nan 0.000 0.473 142 P HA 0.172 nan 4.420 nan 0.000 0.274 142 P C 0.341 177.671 177.300 0.050 0.000 1.237 142 P CA 0.986 64.146 63.100 0.099 0.000 0.793 142 P CB 0.723 32.470 31.700 0.078 0.000 0.977 143 G N -0.427 108.398 108.800 0.042 0.000 2.157 143 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.248 143 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.248 143 G C -0.170 174.836 174.900 0.177 0.000 0.979 143 G CA -0.177 44.795 45.100 -0.214 0.000 0.650 143 G HN 0.573 nan 8.290 nan 0.000 0.529 144 E N -0.610 119.778 120.200 0.314 0.000 2.207 144 E HA 0.717 5.067 4.350 -0.000 0.000 0.270 144 E C -0.139 176.700 176.600 0.398 0.000 0.927 144 E CA -0.834 55.723 56.400 0.262 0.000 0.799 144 E CB 1.469 31.221 29.700 0.087 0.000 1.172 144 E HN 0.502 nan 8.360 nan 0.000 0.404 145 F N -1.656 118.400 119.950 0.178 0.000 2.675 145 F HA 0.794 5.321 4.527 -0.000 0.000 0.324 145 F C -0.703 175.147 175.800 0.083 0.000 1.106 145 F CA -0.814 57.258 58.000 0.120 0.000 0.970 145 F CB 1.911 40.967 39.000 0.093 0.000 1.385 145 F HN 0.146 nan 8.300 nan 0.000 0.489 146 T N 1.361 116.050 114.554 0.225 0.000 3.237 146 T HA 0.486 4.836 4.350 -0.000 0.000 0.319 146 T C -1.559 173.247 174.700 0.176 0.000 1.037 146 T CA -0.566 61.585 62.100 0.085 0.000 1.048 146 T CB 1.661 70.556 68.868 0.045 0.000 1.081 146 T HN 0.626 nan 8.240 nan 0.000 0.455 147 V N 4.308 124.311 119.914 0.149 0.000 2.439 147 V HA 0.508 4.628 4.120 -0.000 0.000 0.282 147 V C 0.059 176.204 176.094 0.085 0.000 1.039 147 V CA -0.602 61.787 62.300 0.149 0.000 0.913 147 V CB 1.508 33.420 31.823 0.149 0.000 0.983 147 V HN 0.749 nan 8.190 nan 0.000 0.460 148 Q N 2.284 122.134 119.800 0.084 0.000 2.823 148 Q HA 0.741 5.081 4.340 -0.000 0.000 0.230 148 Q C 1.304 177.332 176.000 0.046 0.000 1.026 148 Q CA 0.116 55.954 55.803 0.058 0.000 0.940 148 Q CB 0.812 29.586 28.738 0.060 0.000 1.382 148 Q HN 0.684 nan 8.270 nan 0.000 0.502 149 A N 0.332 123.174 122.820 0.036 0.000 1.841 149 A HA -0.076 4.244 4.320 -0.000 0.000 0.214 149 A C 0.758 178.363 177.584 0.035 0.000 1.195 149 A CA 1.584 53.636 52.037 0.025 0.000 0.611 149 A CB -0.280 18.731 19.000 0.019 0.000 0.835 149 A HN 0.617 nan 8.150 nan 0.000 0.443 150 N N -0.363 118.374 118.700 0.061 0.000 2.338 150 N HA 0.183 4.923 4.740 -0.000 0.000 0.251 150 N C -0.653 174.974 175.510 0.196 0.000 1.199 150 N CA 0.805 53.916 53.050 0.102 0.000 0.879 150 N CB 0.726 39.253 38.487 0.067 0.000 1.159 150 N HN 0.561 nan 8.380 nan 0.000 0.514 151 S N -0.891 114.934 115.700 0.209 0.000 2.595 151 S HA 0.601 5.071 4.470 -0.000 0.000 0.270 151 S C -1.389 173.356 174.600 0.242 0.000 1.145 151 S CA -0.825 57.528 58.200 0.255 0.000 0.825 151 S CB 1.454 64.718 63.200 0.106 0.000 1.107 151 S HN 0.002 nan 8.310 nan 0.000 0.461 152 I N 1.425 122.152 120.570 0.261 0.000 2.498 152 I HA 0.482 4.652 4.170 -0.000 0.000 0.290 152 I C -0.124 176.075 176.117 0.137 0.000 1.032 152 I CA -0.569 60.859 61.300 0.213 0.000 1.073 152 I CB 2.164 40.310 38.000 0.242 0.000 1.251 152 I HN 0.753 nan 8.210 nan 0.000 0.426 156 R N 5.562 126.298 120.500 0.392 0.000 2.507 156 R HA 0.063 4.403 4.340 -0.000 0.000 0.341 156 R C 0.472 177.008 176.300 0.393 0.000 0.960 156 R CA 0.174 56.547 56.100 0.454 0.000 1.032 156 R CB 0.143 30.720 30.300 0.462 0.000 0.933 156 R HN 0.680 nan 8.270 nan 0.000 0.418 157 R N 4.912 125.663 120.500 0.419 0.000 2.756 157 R HA 0.139 4.478 4.340 -0.000 0.000 0.264 157 R C -2.206 174.222 176.300 0.213 0.000 1.026 157 R CA -1.006 55.219 56.100 0.209 0.000 1.121 157 R CB -0.023 30.296 30.300 0.032 0.000 0.999 157 R HN 0.242 nan 8.270 nan 0.000 0.449 158 P HA 0.144 nan 4.420 nan 0.000 0.282 158 P C -1.476 175.918 177.300 0.156 0.000 1.262 158 P CA -0.013 63.180 63.100 0.156 0.000 0.773 158 P CB 0.387 32.141 31.700 0.090 0.000 0.879 159 F N 2.069 121.970 119.950 -0.082 0.000 2.601 159 F HA 0.327 4.854 4.527 -0.000 0.000 0.309 159 F C -0.318 175.249 175.800 -0.388 0.000 1.089 159 F CA -1.003 56.801 58.000 -0.327 0.000 0.940 159 F CB 1.950 40.582 39.000 -0.613 0.000 1.273 159 F HN 0.096 nan 8.300 nan 0.000 0.450 160 D N 4.800 124.408 120.400 -1.319 0.000 2.608 160 D HA 0.115 4.755 4.640 -0.000 0.000 0.224 160 D C -0.387 175.507 176.300 -0.677 0.000 1.123 160 D CA 0.090 53.617 54.000 -0.788 0.000 1.030 160 D CB -0.692 39.733 40.800 -0.625 0.000 1.093 160 D HN 0.215 nan 8.370 nan 0.000 0.497 161 F N 1.268 121.118 119.950 -0.168 0.000 2.563 161 F HA 0.129 4.655 4.527 -0.000 0.000 0.363 161 F C -0.910 174.812 175.800 -0.131 0.000 1.123 161 F CA -1.591 56.383 58.000 -0.042 0.000 1.307 161 F CB 0.283 39.296 39.000 0.022 0.000 1.115 161 F HN 0.196 nan 8.300 nan 0.000 0.592 162 P HA -0.019 nan 4.420 nan 0.000 0.245 162 P C 0.276 177.549 177.300 -0.045 0.000 1.212 162 P CA 0.848 63.889 63.100 -0.099 0.000 0.774 162 P CB 0.258 31.797 31.700 -0.268 0.000 0.999 163 D N -1.740 118.662 120.400 0.004 0.000 2.423 163 D HA 0.119 4.759 4.640 -0.000 0.000 0.208 163 D C 0.035 176.349 176.300 0.024 0.000 1.068 163 D CA 0.724 54.722 54.000 -0.004 0.000 0.860 163 D CB 0.538 41.324 40.800 -0.024 0.000 0.992 163 D HN -0.006 nan 8.370 nan 0.000 0.504 164 S N 0.336 116.071 115.700 0.058 0.000 2.467 164 S HA 0.020 4.490 4.470 -0.000 0.000 0.320 164 S C -1.026 173.646 174.600 0.120 0.000 0.940 164 S CA -0.806 57.431 58.200 0.061 0.000 0.896 164 S CB 0.577 63.800 63.200 0.039 0.000 1.172 164 S HN 0.017 nan 8.310 nan 0.000 0.450 165 K N 2.971 123.421 120.400 0.085 0.000 2.511 165 K HA 0.084 4.404 4.320 -0.000 0.000 0.280 165 K C -0.106 176.577 176.600 0.139 0.000 1.008 165 K CA 0.703 57.041 56.287 0.086 0.000 1.050 165 K CB 0.319 32.827 32.500 0.013 0.000 0.889 165 K HN 0.684 nan 8.250 nan 0.000 0.484 166 E N 1.362 121.702 120.200 0.234 0.000 2.299 166 E HA 0.435 4.785 4.350 -0.000 0.000 0.265 166 E C -0.359 176.345 176.600 0.173 0.000 0.911 166 E CA -1.125 55.410 56.400 0.225 0.000 0.789 166 E CB 1.948 31.848 29.700 0.332 0.000 1.246 166 E HN 0.763 nan 8.360 nan 0.000 0.427 167 G N 0.117 109.002 108.800 0.143 0.000 2.932 167 G HA2 0.303 4.263 3.960 -0.000 0.000 0.283 167 G HA3 0.303 4.263 3.960 -0.000 0.000 0.283 167 G C -0.863 174.127 174.900 0.149 0.000 1.336 167 G CA -0.650 44.522 45.100 0.120 0.000 1.056 167 G HN 0.526 nan 8.290 nan 0.000 0.522 168 Q N -1.051 118.829 119.800 0.134 0.000 2.361 168 Q HA 0.423 4.763 4.340 -0.000 0.000 0.276 168 Q C -0.987 175.120 176.000 0.177 0.000 1.022 168 Q CA -0.058 55.841 55.803 0.160 0.000 0.898 168 Q CB 1.184 30.000 28.738 0.130 0.000 1.246 168 Q HN 0.179 nan 8.270 nan 0.000 0.410 169 V N 2.802 122.852 119.914 0.228 0.000 2.760 169 V HA 0.442 4.562 4.120 -0.000 0.000 0.309 169 V C -0.592 175.647 176.094 0.242 0.000 1.077 169 V CA -0.851 61.601 62.300 0.255 0.000 0.910 169 V CB 1.939 33.976 31.823 0.357 0.000 1.008 169 V HN 0.871 nan 8.190 nan 0.000 0.424 170 R N 2.930 123.534 120.500 0.174 0.000 2.229 170 R HA 0.797 5.137 4.340 -0.000 0.000 0.332 170 R C -0.661 175.679 176.300 0.066 0.000 0.989 170 R CA -0.147 56.026 56.100 0.122 0.000 0.842 170 R CB 1.301 31.654 30.300 0.090 0.000 1.119 170 R HN 0.901 nan 8.270 nan 0.000 0.456 171 A N 4.587 127.413 122.820 0.009 0.000 2.486 171 A HA 0.426 4.746 4.320 -0.000 0.000 0.300 171 A C -1.200 176.327 177.584 -0.096 0.000 1.048 171 A CA -0.836 51.129 52.037 -0.120 0.000 0.696 171 A CB 1.481 20.200 19.000 -0.470 0.000 1.278 171 A HN 0.807 nan 8.150 nan 0.000 0.405 172 R N 2.542 122.978 120.500 -0.105 0.000 2.239 172 R HA 0.514 4.854 4.340 -0.000 0.000 0.332 172 R C -1.508 174.712 176.300 -0.133 0.000 0.988 172 R CA -0.631 55.424 56.100 -0.075 0.000 0.859 172 R CB 0.213 30.485 30.300 -0.047 0.000 1.148 172 R HN 0.578 nan 8.270 nan 0.000 0.482 173 L N 3.845 124.987 121.223 -0.136 0.000 2.369 173 L HA 0.228 4.568 4.340 -0.000 0.000 0.279 173 L C 0.222 176.874 176.870 -0.363 0.000 1.108 173 L CA 0.723 55.392 54.840 -0.285 0.000 0.852 173 L CB 1.497 43.409 42.059 -0.245 0.000 1.169 173 L HN 0.566 nan 8.230 nan 0.000 0.452 174 T N 4.263 118.552 114.554 -0.441 0.000 2.797 174 T HA 0.620 4.970 4.350 -0.000 0.000 0.279 174 T C -0.496 173.925 174.700 -0.465 0.000 0.991 174 T CA -0.209 61.715 62.100 -0.293 0.000 0.979 174 T CB 0.393 69.176 68.868 -0.141 0.000 0.943 174 T HN 0.073 nan 8.240 nan 0.000 0.444 175 F N 1.897 121.817 119.950 -0.051 0.000 2.480 175 F HA 0.480 5.007 4.527 -0.000 0.000 0.329 175 F C 0.439 176.159 175.800 -0.133 0.000 1.091 175 F CA -1.121 56.826 58.000 -0.087 0.000 0.972 175 F CB 1.357 40.313 39.000 -0.073 0.000 1.150 175 F HN 0.347 nan 8.300 nan 0.000 0.467 176 D N 1.890 122.236 120.400 -0.091 0.000 2.453 176 D HA 0.452 5.092 4.640 -0.000 0.000 0.238 176 D C 0.617 176.745 176.300 -0.287 0.000 1.088 176 D CA 0.434 54.315 54.000 -0.199 0.000 0.854 176 D CB 0.972 41.618 40.800 -0.256 0.000 1.076 176 D HN 0.766 nan 8.370 nan 0.000 0.533 177 G N 5.252 113.989 108.800 -0.106 0.000 2.622 177 G HA2 -0.395 3.564 3.960 -0.000 0.000 0.307 177 G HA3 -0.395 3.564 3.960 -0.000 0.000 0.307 177 G C 0.875 175.743 174.900 -0.053 0.000 1.226 177 G CA 0.869 45.930 45.100 -0.065 0.000 0.997 177 G HN 0.616 nan 8.290 nan 0.000 0.551 178 D N 1.043 121.439 120.400 -0.007 0.000 2.194 178 D HA 0.059 4.699 4.640 -0.000 0.000 0.204 178 D C 1.149 177.522 176.300 0.121 0.000 0.964 178 D CA 1.819 55.853 54.000 0.057 0.000 0.846 178 D CB -0.681 40.183 40.800 0.106 0.000 0.962 178 D HN 1.048 nan 8.370 nan 0.000 0.490 179 H N -0.750 118.393 119.070 0.123 0.000 2.458 179 H HA 0.472 5.028 4.556 -0.000 0.000 0.330 179 H C 0.021 175.466 175.328 0.196 0.000 1.111 179 H CA -1.441 54.691 56.048 0.141 0.000 1.245 179 H CB 1.053 30.864 29.762 0.082 0.000 1.456 179 H HN -0.005 nan 8.280 nan 0.000 0.488 180 L N 2.855 124.252 121.223 0.290 0.000 2.601 180 L HA 0.180 4.520 4.340 -0.000 0.000 0.277 180 L C 0.635 177.516 176.870 0.018 0.000 1.219 180 L CA 0.930 55.766 54.840 -0.007 0.000 0.915 180 L CB 0.042 42.060 42.059 -0.069 0.000 1.160 180 L HN 0.955 nan 8.230 nan 0.000 0.494 181 A N 3.153 125.904 122.820 -0.115 0.000 2.085 181 A HA 0.352 4.672 4.320 -0.000 0.000 0.208 181 A C 0.807 178.363 177.584 -0.047 0.000 1.191 181 A CA 0.775 52.815 52.037 0.005 0.000 0.799 181 A CB 0.124 19.106 19.000 -0.029 0.000 0.877 181 A HN 0.703 nan 8.150 nan 0.000 0.473 182 T N 0.026 114.491 114.554 -0.148 0.000 3.012 182 T HA 0.542 4.892 4.350 -0.000 0.000 0.330 182 T C -1.494 173.100 174.700 -0.176 0.000 1.321 182 T CA -0.237 61.786 62.100 -0.128 0.000 1.067 182 T CB 1.247 70.045 68.868 -0.116 0.000 1.235 182 T HN 0.201 nan 8.240 nan 0.000 0.479 183 I N 2.741 123.240 120.570 -0.118 0.000 2.468 183 I HA 0.596 4.765 4.170 -0.000 0.000 0.285 183 I C -0.849 175.201 176.117 -0.112 0.000 1.039 183 I CA -1.061 60.160 61.300 -0.131 0.000 1.074 183 I CB 1.839 39.788 38.000 -0.085 0.000 1.228 183 I HN 0.212 nan 8.210 nan 0.000 0.436 184 V N 5.313 125.124 119.914 -0.171 0.000 2.540 184 V HA 0.369 4.489 4.120 -0.000 0.000 0.302 184 V C 0.177 176.130 176.094 -0.234 0.000 1.035 184 V CA -0.596 61.558 62.300 -0.243 0.000 0.873 184 V CB 2.168 33.879 31.823 -0.187 0.000 0.992 184 V HN 0.734 nan 8.190 nan 0.000 0.428 188 N N 1.678 120.340 118.700 -0.063 0.000 2.314 188 N HA 0.121 4.860 4.740 -0.000 0.000 0.200 188 N C -0.229 175.220 175.510 -0.102 0.000 1.135 188 N CA 0.476 53.479 53.050 -0.079 0.000 0.835 188 N CB 0.056 38.488 38.487 -0.091 0.000 0.989 188 N HN 0.222 nan 8.380 nan 0.000 0.478 189 N N 0.108 118.745 118.700 -0.104 0.000 2.696 189 N HA -0.230 4.510 4.740 -0.000 0.000 0.249 189 N C -0.799 174.619 175.510 -0.152 0.000 1.090 189 N CA 0.761 53.744 53.050 -0.111 0.000 0.716 189 N CB -0.717 37.724 38.487 -0.077 0.000 1.020 189 N HN 0.600 nan 8.380 nan 0.000 0.548 190 R N 0.167 120.531 120.500 -0.227 0.000 2.720 190 R HA 0.361 4.701 4.340 -0.000 0.000 0.272 190 R C 0.299 176.345 176.300 -0.422 0.000 0.991 190 R CA -0.541 55.387 56.100 -0.287 0.000 1.010 190 R CB 1.298 31.414 30.300 -0.306 0.000 1.141 190 R HN 0.136 nan 8.270 nan 0.000 0.494 191 Q N 1.095 120.684 119.800 -0.353 0.000 2.230 191 Q HA 0.295 4.635 4.340 -0.000 0.000 0.248 191 Q C -0.999 174.752 176.000 -0.415 0.000 0.915 191 Q CA -0.267 55.335 55.803 -0.336 0.000 0.900 191 Q CB 1.147 29.785 28.738 -0.167 0.000 1.229 191 Q HN 0.277 nan 8.270 nan 0.000 0.439 192 F N -0.896 118.980 119.950 -0.124 0.000 2.440 192 F HA 0.398 4.925 4.527 -0.000 0.000 0.328 192 F C 1.133 176.876 175.800 -0.094 0.000 1.070 192 F CA -0.484 57.439 58.000 -0.127 0.000 1.011 192 F CB 1.301 40.228 39.000 -0.121 0.000 1.226 192 F HN 0.698 nan 8.300 nan 0.000 0.491 193 G N 0.898 109.762 108.800 0.105 0.000 2.559 193 G HA2 0.127 4.087 3.960 -0.000 0.000 0.209 193 G HA3 0.127 4.087 3.960 -0.000 0.000 0.209 193 G C -0.362 174.651 174.900 0.188 0.000 1.151 193 G CA 0.245 45.407 45.100 0.103 0.000 0.824 193 G HN 0.446 nan 8.290 nan 0.000 0.543 194 F N -1.759 118.248 119.950 0.097 0.000 2.576 194 F HA 0.800 5.327 4.527 -0.000 0.000 0.313 194 F C -1.718 174.109 175.800 0.045 0.000 1.078 194 F CA -2.799 55.232 58.000 0.051 0.000 0.921 194 F CB 1.683 40.675 39.000 -0.013 0.000 1.232 194 F HN -0.069 nan 8.300 nan 0.000 0.459 195 F N 3.504 123.415 119.950 -0.064 0.000 2.507 195 F HA 0.642 5.169 4.527 -0.000 0.000 0.328 195 F C -0.534 175.175 175.800 -0.153 0.000 1.136 195 F CA -1.051 56.761 58.000 -0.313 0.000 0.930 195 F CB 1.551 40.364 39.000 -0.312 0.000 1.166 195 F HN 0.626 nan 8.300 nan 0.000 0.436 196 R N 4.543 124.547 120.500 -0.827 0.000 2.490 196 R HA 0.571 4.911 4.340 -0.000 0.000 0.278 196 R C -1.478 174.436 176.300 -0.643 0.000 1.069 196 R CA -0.826 54.897 56.100 -0.629 0.000 1.080 196 R CB 1.147 30.933 30.300 -0.856 0.000 1.030 196 R HN 0.606 nan 8.270 nan 0.000 0.491 197 L N 3.039 124.135 121.223 -0.212 0.000 2.341 197 L HA 0.224 4.564 4.340 -0.000 0.000 0.278 197 L C -0.529 176.444 176.870 0.172 0.000 1.005 197 L CA -0.474 54.341 54.840 -0.040 0.000 0.818 197 L CB 1.482 43.523 42.059 -0.031 0.000 1.259 197 L HN 0.654 nan 8.230 nan 0.000 0.418 198 D N 4.337 124.840 120.400 0.172 0.000 2.362 198 D HA 0.212 4.852 4.640 -0.000 0.000 0.242 198 D C -2.621 173.555 176.300 -0.207 0.000 1.132 198 D CA -1.207 52.701 54.000 -0.153 0.000 0.907 198 D CB 0.559 41.170 40.800 -0.314 0.000 1.195 198 D HN 0.213 nan 8.370 nan 0.000 0.429 199 P HA 0.268 nan 4.420 nan 0.000 0.279 199 P C -0.330 176.938 177.300 -0.054 0.000 1.252 199 P CA -0.625 62.389 63.100 -0.142 0.000 0.811 199 P CB 0.779 32.438 31.700 -0.069 0.000 1.035 200 R N 1.438 121.968 120.500 0.050 0.000 2.349 200 R HA 0.358 4.698 4.340 -0.000 0.000 0.299 200 R C -0.469 175.809 176.300 -0.036 0.000 1.027 200 R CA -0.943 55.171 56.100 0.023 0.000 0.958 200 R CB 0.237 30.554 30.300 0.028 0.000 1.047 200 R HN 0.368 nan 8.270 nan 0.000 0.468 201 L N 5.741 126.886 121.223 -0.129 0.000 2.485 201 L HA 0.091 4.431 4.340 -0.000 0.000 0.279 201 L C 0.466 177.166 176.870 -0.283 0.000 1.124 201 L CA 0.476 55.097 54.840 -0.365 0.000 0.888 201 L CB 0.569 42.424 42.059 -0.339 0.000 1.217 201 L HN 0.767 nan 8.230 nan 0.000 0.464 202 I N 3.175 123.541 120.570 -0.341 0.000 2.277 202 I HA 0.031 4.200 4.170 -0.000 0.000 0.243 202 I C 1.194 177.155 176.117 -0.260 0.000 1.094 202 I CA 1.122 62.209 61.300 -0.356 0.000 1.393 202 I CB -0.353 37.333 38.000 -0.522 0.000 1.078 202 I HN 0.801 nan 8.210 nan 0.000 0.417 206 S N 3.529 119.205 115.700 -0.040 0.000 2.931 206 S HA 0.037 4.507 4.470 -0.000 0.000 0.342 206 S C 0.352 174.932 174.600 -0.032 0.000 1.220 206 S CA 0.064 58.242 58.200 -0.038 0.000 1.045 206 S CB 0.440 63.621 63.200 -0.031 0.000 0.758 206 S HN 0.770 nan 8.310 nan 0.000 0.508 207 S N 5.125 120.803 115.700 -0.036 0.000 2.488 207 S HA 0.255 4.725 4.470 -0.000 0.000 0.278 207 S C -0.694 173.896 174.600 -0.018 0.000 1.259 207 S CA -1.583 56.601 58.200 -0.027 0.000 1.061 207 S CB 0.433 63.612 63.200 -0.036 0.000 0.910 207 S HN 0.707 nan 8.310 nan 0.000 0.491 208 P HA -0.168 nan 4.420 nan 0.000 0.218 208 P C 1.082 178.381 177.300 -0.001 0.000 1.148 208 P CA 1.092 64.189 63.100 -0.004 0.000 0.822 208 P CB -0.138 31.563 31.700 0.001 0.000 0.784 209 N N -0.233 118.469 118.700 0.003 0.000 2.520 209 N HA -0.100 4.640 4.740 -0.000 0.000 0.185 209 N C 1.190 176.700 175.510 -0.001 0.000 1.068 209 N CA 0.895 53.950 53.050 0.008 0.000 0.911 209 N CB -0.325 38.175 38.487 0.021 0.000 0.961 209 N HN 0.083 nan 8.380 nan 0.000 0.446 210 G N 0.721 109.513 108.800 -0.012 0.000 2.155 210 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.257 210 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.257 210 G C -0.428 174.454 174.900 -0.031 0.000 0.983 210 G CA 0.223 45.311 45.100 -0.021 0.000 0.676 210 G HN 0.544 nan 8.290 nan 0.000 0.528 211 E N 0.779 120.956 120.200 -0.038 0.000 2.207 211 E HA 0.274 4.623 4.350 -0.000 0.000 0.250 211 E C -0.172 176.369 176.600 -0.099 0.000 0.890 211 E CA -0.525 55.837 56.400 -0.064 0.000 0.749 211 E CB 0.894 30.564 29.700 -0.050 0.000 1.193 211 E HN 0.384 nan 8.360 nan 0.000 0.423 212 Q N 3.534 123.258 119.800 -0.127 0.000 2.267 212 Q HA 0.361 4.700 4.340 -0.000 0.000 0.255 212 Q C -0.094 175.795 176.000 -0.184 0.000 0.923 212 Q CA -0.157 55.560 55.803 -0.142 0.000 0.925 212 Q CB 1.460 30.107 28.738 -0.152 0.000 1.195 212 Q HN 0.364 nan 8.270 nan 0.000 0.417 213 R N 1.937 122.337 120.500 -0.166 0.000 2.740 213 R HA 0.552 4.892 4.340 -0.000 0.000 0.273 213 R C -1.225 175.018 176.300 -0.095 0.000 0.998 213 R CA -1.141 54.847 56.100 -0.187 0.000 0.900 213 R CB 0.940 31.052 30.300 -0.312 0.000 1.223 213 R HN 0.398 nan 8.270 nan 0.000 0.466 214 L N 2.167 123.352 121.223 -0.063 0.000 2.319 214 L HA 0.470 4.810 4.340 -0.000 0.000 0.281 214 L C -1.178 175.728 176.870 0.061 0.000 1.005 214 L CA -0.745 54.099 54.840 0.007 0.000 0.828 214 L CB 1.117 43.170 42.059 -0.009 0.000 1.227 214 L HN 0.591 nan 8.230 nan 0.000 0.415 215 F N 6.770 126.712 119.950 -0.014 0.000 2.404 215 F HA 0.570 5.097 4.527 -0.000 0.000 0.358 215 F C -0.300 175.520 175.800 0.033 0.000 1.120 215 F CA -0.578 57.443 58.000 0.035 0.000 1.144 215 F CB 1.010 40.070 39.000 0.100 0.000 1.133 215 F HN 0.319 nan 8.300 nan 0.000 0.495 216 V N 6.082 125.603 119.914 -0.655 0.000 2.513 216 V HA 0.699 4.819 4.120 -0.000 0.000 0.299 216 V C -2.613 172.915 176.094 -0.944 0.000 1.035 216 V CA -2.464 59.435 62.300 -0.667 0.000 0.889 216 V CB 1.125 32.609 31.823 -0.566 0.000 0.988 216 V HN 0.628 nan 8.190 nan 0.000 0.440 217 P HA 0.194 nan 4.420 nan 0.000 0.278 217 P C 0.567 177.788 177.300 -0.132 0.000 1.270 217 P CA -0.212 62.712 63.100 -0.293 0.000 0.800 217 P CB 0.417 32.091 31.700 -0.044 0.000 1.142 218 R N 1.025 121.567 120.500 0.070 0.000 2.073 218 R HA -0.133 4.207 4.340 -0.000 0.000 0.234 218 R C 2.181 178.567 176.300 0.143 0.000 1.134 218 R CA 2.524 58.741 56.100 0.196 0.000 0.952 218 R CB -1.766 28.627 30.300 0.156 0.000 0.850 218 R HN 0.525 nan 8.270 nan 0.000 0.433 219 S N -0.871 114.853 115.700 0.040 0.000 2.419 219 S HA -0.062 4.407 4.470 -0.000 0.000 0.235 219 S C 1.958 176.525 174.600 -0.055 0.000 1.019 219 S CA 1.055 59.261 58.200 0.011 0.000 0.982 219 S CB -0.866 62.334 63.200 -0.000 0.000 0.789 219 S HN 0.506 nan 8.310 nan 0.000 0.490 220 G N -0.215 108.469 108.800 -0.193 0.000 2.776 220 G HA2 0.187 4.147 3.960 -0.000 0.000 0.209 220 G HA3 0.187 4.147 3.960 -0.000 0.000 0.209 220 G C -0.123 174.494 174.900 -0.472 0.000 1.145 220 G CA -0.161 44.724 45.100 -0.359 0.000 0.791 220 G HN 0.490 nan 8.290 nan 0.000 0.530 221 F N 1.829 121.750 119.950 -0.048 0.000 2.388 221 F HA 0.364 4.890 4.527 -0.000 0.000 0.358 221 F C -1.786 173.981 175.800 -0.056 0.000 1.122 221 F CA -3.213 54.752 58.000 -0.059 0.000 1.056 221 F CB 1.791 40.748 39.000 -0.070 0.000 1.155 221 F HN -0.144 nan 8.300 nan 0.000 0.461 222 P HA -0.010 nan 4.420 nan 0.000 0.265 222 P C 0.191 177.509 177.300 0.031 0.000 1.193 222 P CA 0.064 63.191 63.100 0.045 0.000 0.765 222 P CB 1.196 32.909 31.700 0.021 0.000 0.823 223 D N 2.075 122.483 120.400 0.014 0.000 2.126 223 D HA -0.167 4.472 4.640 -0.000 0.000 0.190 223 D C 1.975 178.261 176.300 -0.024 0.000 1.001 223 D CA 1.541 55.540 54.000 -0.002 0.000 0.841 223 D CB -0.390 40.408 40.800 -0.003 0.000 0.949 223 D HN 0.275 nan 8.370 nan 0.000 0.446 224 L N 0.361 121.568 121.223 -0.026 0.000 1.990 224 L HA -0.188 4.151 4.340 -0.000 0.000 0.213 224 L C 2.487 179.318 176.870 -0.065 0.000 1.072 224 L CA 0.996 55.812 54.840 -0.041 0.000 0.755 224 L CB -1.191 40.846 42.059 -0.036 0.000 0.889 224 L HN 0.064 nan 8.230 nan 0.000 0.432 225 L N -0.572 120.608 121.223 -0.072 0.000 1.990 225 L HA -0.195 4.145 4.340 -0.000 0.000 0.213 225 L C 2.474 179.233 176.870 -0.185 0.000 1.072 225 L CA 1.699 56.457 54.840 -0.138 0.000 0.755 225 L CB -0.592 41.390 42.059 -0.128 0.000 0.889 225 L HN 0.065 nan 8.230 nan 0.000 0.432 226 V N 0.082 119.911 119.914 -0.141 0.000 2.252 226 V HA -0.372 3.748 4.120 -0.000 0.000 0.249 226 V C 2.353 178.370 176.094 -0.127 0.000 1.056 226 V CA 2.101 64.310 62.300 -0.151 0.000 1.022 226 V CB -1.069 30.703 31.823 -0.085 0.000 0.641 226 V HN 0.466 nan 8.190 nan 0.000 0.445 227 D N -0.000 120.347 120.400 -0.088 0.000 2.088 227 D HA -0.195 4.445 4.640 -0.000 0.000 0.191 227 D C 2.318 178.573 176.300 -0.076 0.000 0.992 227 D CA 2.274 56.231 54.000 -0.071 0.000 0.831 227 D CB -0.890 39.880 40.800 -0.051 0.000 0.973 227 D HN 0.466 nan 8.370 nan 0.000 0.447 228 T N 0.211 114.720 114.554 -0.076 0.000 2.822 228 T HA -0.143 4.207 4.350 -0.000 0.000 0.270 228 T C 1.981 176.642 174.700 -0.065 0.000 1.064 228 T CA 0.667 62.728 62.100 -0.065 0.000 1.131 228 T CB -0.358 68.473 68.868 -0.063 0.000 0.858 228 T HN 0.079 nan 8.240 nan 0.000 0.483 229 L N -0.079 121.083 121.223 -0.101 0.000 2.005 229 L HA 0.057 4.397 4.340 -0.000 0.000 0.207 229 L C 2.534 179.355 176.870 -0.081 0.000 1.072 229 L CA 1.330 56.118 54.840 -0.087 0.000 0.744 229 L CB -0.317 41.646 42.059 -0.161 0.000 0.895 229 L HN 0.342 nan 8.230 nan 0.000 0.433 230 L N 0.127 121.289 121.223 -0.101 0.000 2.043 230 L HA -0.199 4.141 4.340 -0.000 0.000 0.212 230 L C 2.263 179.105 176.870 -0.046 0.000 1.075 230 L CA 1.093 55.884 54.840 -0.081 0.000 0.752 230 L CB -0.758 41.255 42.059 -0.076 0.000 0.891 230 L HN 0.308 nan 8.230 nan 0.000 0.432 231 A N -1.113 121.682 122.820 -0.041 0.000 2.176 231 A HA -0.037 4.283 4.320 -0.000 0.000 0.214 231 A C 1.723 179.297 177.584 -0.017 0.000 1.327 231 A CA 1.439 53.459 52.037 -0.028 0.000 1.015 231 A CB -0.692 18.290 19.000 -0.031 0.000 0.818 231 A HN 0.527 nan 8.150 nan 0.000 0.500 232 T N -2.387 112.161 114.554 -0.009 0.000 3.100 232 T HA 0.064 4.414 4.350 -0.000 0.000 0.255 232 T C 0.186 174.898 174.700 0.019 0.000 0.893 232 T CA 0.659 62.764 62.100 0.008 0.000 0.882 232 T CB 0.168 69.050 68.868 0.023 0.000 1.266 232 T HN 0.398 nan 8.240 nan 0.000 0.528 233 E N 1.882 122.091 120.200 0.015 0.000 4.139 233 E HA 0.206 4.555 4.350 -0.000 0.000 0.227 233 E C -0.981 175.633 176.600 0.022 0.000 1.187 233 E CA -0.578 55.840 56.400 0.030 0.000 1.324 233 E CB -0.250 29.485 29.700 0.058 0.000 1.207 233 E HN 0.431 nan 8.360 nan 0.000 0.422 234 D N 2.048 122.456 120.400 0.014 0.000 2.973 234 D HA -0.160 4.480 4.640 -0.000 0.000 0.214 234 D C -0.041 176.289 176.300 0.049 0.000 1.079 234 D CA 0.618 54.625 54.000 0.012 0.000 0.797 234 D CB 0.751 41.558 40.800 0.012 0.000 1.168 234 D HN 0.074 nan 8.370 nan 0.000 0.515 235 R N 2.856 123.357 120.500 0.002 0.000 2.442 235 R HA -0.009 4.330 4.340 -0.000 0.000 0.291 235 R C 1.092 177.380 176.300 -0.020 0.000 1.069 235 R CA -0.060 56.021 56.100 -0.033 0.000 1.022 235 R CB 0.299 30.530 30.300 -0.115 0.000 0.976 235 R HN 0.655 nan 8.270 nan 0.000 0.443 236 H N 3.455 122.543 119.070 0.030 0.000 2.366 236 H HA 0.070 4.626 4.556 -0.000 0.000 0.330 236 H C 0.422 175.851 175.328 0.168 0.000 1.142 236 H CA 0.575 56.655 56.048 0.053 0.000 1.655 236 H CB -0.179 29.593 29.762 0.017 0.000 1.519 236 H HN 0.527 nan 8.280 nan 0.000 0.609 237 F N -0.515 119.353 119.950 -0.137 0.000 1.890 237 F HA 0.121 4.648 4.527 -0.000 0.000 0.261 237 F C 0.194 176.050 175.800 0.094 0.000 1.066 237 F CA 0.452 58.447 58.000 -0.009 0.000 1.235 237 F CB 0.285 39.285 39.000 0.001 0.000 1.548 237 F HN 0.350 nan 8.300 nan 0.000 0.593 238 Y N -1.406 118.983 120.300 0.149 0.000 3.116 238 Y HA 0.331 4.880 4.550 -0.000 0.000 0.333 238 Y C 0.223 176.204 175.900 0.136 0.000 0.935 238 Y CA -0.265 57.839 58.100 0.007 0.000 1.105 238 Y CB -0.936 37.399 38.460 -0.209 0.000 1.406 238 Y HN 0.049 nan 8.280 nan 0.000 0.544 239 E N 0.842 120.914 120.200 -0.214 0.000 3.700 239 E HA 0.487 4.837 4.350 -0.000 0.000 0.357 239 E C 0.452 176.206 176.600 -1.411 0.000 0.577 239 E CA 0.365 56.376 56.400 -0.648 0.000 1.888 239 E CB 0.477 29.914 29.700 -0.438 0.000 2.230 239 E HN 0.372 nan 8.360 nan 0.000 0.479 240 H N -1.548 117.274 119.070 -0.413 0.000 4.940 240 H HA 0.132 4.688 4.556 -0.000 0.000 0.098 240 H C -0.080 175.130 175.328 -0.197 0.000 1.282 240 H CA 0.346 56.139 56.048 -0.425 0.000 0.817 240 H CB 0.151 29.772 29.762 -0.235 0.000 1.352 240 H HN 0.261 nan 8.280 nan 0.000 0.128 241 D N -0.232 120.201 120.400 0.056 0.000 4.089 241 D HA -0.199 4.441 4.640 -0.000 0.000 0.141 241 D C 1.686 177.990 176.300 0.008 0.000 0.858 241 D CA 1.824 55.833 54.000 0.015 0.000 1.094 241 D CB -1.543 39.249 40.800 -0.013 0.000 0.550 241 D HN 0.583 nan 8.370 nan 0.000 0.562 242 G N 0.836 109.633 108.800 -0.005 0.000 2.740 242 G HA2 -0.341 3.619 3.960 -0.000 0.000 0.224 242 G HA3 -0.341 3.619 3.960 -0.000 0.000 0.224 242 G C 1.680 176.574 174.900 -0.009 0.000 1.156 242 G CA 3.475 48.569 45.100 -0.010 0.000 0.766 242 G HN 0.690 nan 8.290 nan 0.000 0.623 243 I N 1.100 121.669 120.570 -0.003 0.000 2.300 243 I HA -0.139 4.031 4.170 -0.000 0.000 0.252 243 I C 2.054 178.159 176.117 -0.019 0.000 1.119 243 I CA 1.249 62.542 61.300 -0.010 0.000 1.384 243 I CB -1.231 36.777 38.000 0.013 0.000 1.062 243 I HN 0.203 nan 8.210 nan 0.000 0.426 244 S N 3.726 119.435 115.700 0.014 0.000 3.864 244 S HA 0.279 4.749 4.470 -0.000 0.000 0.202 244 S C 0.837 175.458 174.600 0.036 0.000 1.402 244 S CA -0.530 57.699 58.200 0.049 0.000 1.072 244 S CB -1.095 62.140 63.200 0.059 0.000 1.383 244 S HN 0.484 nan 8.310 nan 0.000 0.458 245 L N -1.233 119.977 121.223 -0.023 0.000 2.851 245 L HA 0.478 4.817 4.340 -0.000 0.000 0.237 245 L C -0.593 176.268 176.870 -0.016 0.000 1.257 245 L CA -0.692 54.135 54.840 -0.021 0.000 1.061 245 L CB -1.986 40.044 42.059 -0.047 0.000 1.372 245 L HN 0.242 nan 8.230 nan 0.000 0.493 246 Y N 1.480 121.785 120.300 0.009 0.000 2.544 246 Y HA 0.071 4.621 4.550 -0.000 0.000 0.330 246 Y C 0.783 176.690 175.900 0.011 0.000 1.136 246 Y CA 0.453 58.560 58.100 0.013 0.000 1.417 246 Y CB 0.769 39.240 38.460 0.017 0.000 1.229 246 Y HN 0.259 nan 8.280 nan 0.000 0.532 247 S N 6.550 122.396 115.700 0.243 0.000 2.252 247 S HA 0.405 4.875 4.470 -0.000 0.000 0.180 247 S C -0.176 174.500 174.600 0.127 0.000 1.534 247 S CA -0.697 57.584 58.200 0.134 0.000 1.141 247 S CB -0.614 62.632 63.200 0.076 0.000 1.122 247 S HN 0.608 nan 8.310 nan 0.000 0.475 269 T N -0.199 114.436 114.554 0.136 0.000 3.225 269 T HA 0.176 4.526 4.350 -0.000 0.000 0.347 269 T C -0.177 174.637 174.700 0.190 0.000 1.254 269 T CA 0.183 62.381 62.100 0.163 0.000 0.950 269 T CB 0.255 69.243 68.868 0.200 0.000 1.873 269 T HN 0.595 nan 8.240 nan 0.000 0.563 270 Q N 1.646 121.569 119.800 0.204 0.000 2.478 270 Q HA -0.032 4.308 4.340 -0.000 0.000 0.323 270 Q C 0.262 176.422 176.000 0.266 0.000 1.087 270 Q CA 0.491 56.419 55.803 0.207 0.000 1.056 270 Q CB -0.106 28.741 28.738 0.183 0.000 1.018 270 Q HN 0.594 nan 8.270 nan 0.000 0.387 271 Q N 3.276 123.269 119.800 0.322 0.000 2.155 271 Q HA 0.086 4.426 4.340 -0.000 0.000 0.220 271 Q C 0.570 176.705 176.000 0.225 0.000 0.819 271 Q CA -0.157 55.794 55.803 0.247 0.000 1.032 271 Q CB 0.082 28.946 28.738 0.209 0.000 1.151 271 Q HN 0.732 nan 8.270 nan 0.000 0.487 272 L N 1.891 123.285 121.223 0.285 0.000 2.051 272 L HA -0.247 4.093 4.340 -0.000 0.000 0.214 272 L C 2.124 179.082 176.870 0.148 0.000 1.076 272 L CA 2.322 57.280 54.840 0.198 0.000 0.758 272 L CB -0.837 41.372 42.059 0.249 0.000 0.890 272 L HN 0.182 nan 8.230 nan 0.000 0.433 273 V N -1.650 118.400 119.914 0.226 0.000 2.278 273 V HA -0.401 3.719 4.120 -0.000 0.000 0.251 273 V C 2.583 178.827 176.094 0.250 0.000 1.062 273 V CA 2.429 64.926 62.300 0.328 0.000 1.038 273 V CB -1.532 30.446 31.823 0.258 0.000 0.646 273 V HN 0.679 nan 8.190 nan 0.000 0.447 274 K N 2.519 123.010 120.400 0.153 0.000 1.980 274 K HA -0.271 4.049 4.320 -0.000 0.000 0.223 274 K C 1.442 178.072 176.600 0.051 0.000 1.052 274 K CA 2.530 58.876 56.287 0.097 0.000 0.974 274 K CB -0.519 32.029 32.500 0.080 0.000 0.734 274 K HN 0.772 nan 8.250 nan 0.000 0.447 275 N N 1.007 119.712 118.700 0.009 0.000 2.484 275 N HA -0.010 4.730 4.740 -0.000 0.000 0.245 275 N C 0.553 176.007 175.510 -0.092 0.000 1.184 275 N CA 0.150 53.181 53.050 -0.031 0.000 0.884 275 N CB 0.791 39.259 38.487 -0.032 0.000 1.182 275 N HN 0.236 nan 8.380 nan 0.000 0.493 276 L N -1.843 119.253 121.223 -0.212 0.000 2.854 276 L HA 0.471 4.811 4.340 -0.000 0.000 0.249 276 L C 0.340 176.719 176.870 -0.819 0.000 1.091 276 L CA 0.833 55.337 54.840 -0.560 0.000 0.935 276 L CB 0.202 41.757 42.059 -0.838 0.000 1.367 276 L HN 0.055 nan 8.230 nan 0.000 0.524 277 F N -1.787 118.162 119.950 -0.002 0.000 2.570 277 F HA 0.335 4.861 4.527 -0.000 0.000 0.290 277 F C 0.643 176.431 175.800 -0.019 0.000 0.910 277 F CA -0.636 57.355 58.000 -0.015 0.000 1.119 277 F CB -0.192 38.786 39.000 -0.036 0.000 0.922 277 F HN -0.388 nan 8.300 nan 0.000 0.703 278 L N 0.408 121.734 121.223 0.171 0.000 2.452 278 L HA 0.280 4.620 4.340 -0.000 0.000 0.267 278 L C 0.972 177.869 176.870 0.046 0.000 1.188 278 L CA 0.002 54.877 54.840 0.059 0.000 0.821 278 L CB 0.840 42.920 42.059 0.035 0.000 1.102 278 L HN 0.166 nan 8.230 nan 0.000 0.470 279 S N 0.251 115.982 115.700 0.051 0.000 4.213 279 S HA 0.500 4.969 4.470 -0.000 0.000 0.198 279 S C -0.103 174.546 174.600 0.081 0.000 0.970 279 S CA -0.289 57.958 58.200 0.077 0.000 1.707 279 S CB 1.044 64.318 63.200 0.123 0.000 0.685 279 S HN 0.649 nan 8.310 nan 0.000 0.736 280 S N -0.298 115.473 115.700 0.118 0.000 2.579 280 S HA 0.529 4.999 4.470 -0.000 0.000 0.272 280 S C -0.504 174.178 174.600 0.136 0.000 1.141 280 S CA -0.662 57.596 58.200 0.096 0.000 0.843 280 S CB 2.087 65.313 63.200 0.043 0.000 1.122 280 S HN 0.648 nan 8.310 nan 0.000 0.468 281 E N 0.323 120.581 120.200 0.096 0.000 4.027 281 E HA 0.330 4.680 4.350 -0.000 0.000 0.301 281 E C -0.124 176.504 176.600 0.047 0.000 0.824 281 E CA -0.639 55.792 56.400 0.050 0.000 1.453 281 E CB 0.313 30.019 29.700 0.009 0.000 2.320 281 E HN 0.591 nan 8.360 nan 0.000 0.484 282 R N 1.062 121.559 120.500 -0.005 0.000 2.924 282 R HA 0.081 4.421 4.340 -0.000 0.000 0.272 282 R C 0.418 176.685 176.300 -0.054 0.000 1.012 282 R CA 0.018 56.089 56.100 -0.048 0.000 1.171 282 R CB -0.633 29.607 30.300 -0.101 0.000 1.086 282 R HN 0.217 nan 8.270 nan 0.000 0.489 283 S N -0.798 114.821 115.700 -0.134 0.000 2.658 283 S HA 0.006 4.476 4.470 -0.000 0.000 0.249 283 S C 0.605 175.023 174.600 -0.304 0.000 1.363 283 S CA -0.141 57.972 58.200 -0.144 0.000 0.964 283 S CB -0.041 63.076 63.200 -0.139 0.000 0.973 283 S HN 0.550 nan 8.310 nan 0.000 0.588 284 Y N -1.219 119.142 120.300 0.101 0.000 2.457 284 Y HA 0.159 4.709 4.550 -0.000 0.000 0.263 284 Y C 1.303 177.296 175.900 0.155 0.000 1.164 284 Y CA -0.714 57.440 58.100 0.090 0.000 1.274 284 Y CB -0.295 38.194 38.460 0.048 0.000 1.097 284 Y HN 0.727 nan 8.280 nan 0.000 0.523 285 W N 1.859 123.206 121.300 0.078 0.000 2.325 285 W HA -0.239 4.421 4.660 -0.000 0.000 0.299 285 W C 2.422 178.976 176.519 0.059 0.000 1.215 285 W CA 2.004 59.381 57.345 0.053 0.000 1.244 285 W CB -0.205 29.270 29.460 0.026 0.000 1.140 285 W HN 0.028 nan 8.180 nan 0.000 0.523 286 R N 0.740 121.330 120.500 0.151 0.000 2.060 286 R HA -0.063 4.276 4.340 -0.000 0.000 0.218 286 R C 2.446 178.761 176.300 0.024 0.000 1.200 286 R CA 2.047 58.161 56.100 0.024 0.000 0.935 286 R CB -1.194 29.140 30.300 0.056 0.000 0.814 286 R HN -0.074 nan 8.270 nan 0.000 0.460 287 K N -0.039 120.399 120.400 0.063 0.000 2.077 287 K HA -0.265 4.055 4.320 -0.000 0.000 0.213 287 K C 1.854 178.476 176.600 0.036 0.000 1.051 287 K CA 1.978 58.296 56.287 0.052 0.000 0.929 287 K CB -0.434 32.114 32.500 0.080 0.000 0.715 287 K HN 0.363 nan 8.250 nan 0.000 0.451 288 A N 1.621 124.476 122.820 0.058 0.000 1.849 288 A HA -0.275 4.045 4.320 -0.000 0.000 0.217 288 A C 2.008 179.613 177.584 0.035 0.000 1.202 288 A CA 2.109 54.166 52.037 0.033 0.000 0.629 288 A CB -1.137 17.886 19.000 0.037 0.000 0.834 288 A HN 0.590 nan 8.150 nan 0.000 0.447 289 N N -0.637 118.061 118.700 -0.002 0.000 2.149 289 N HA -0.220 4.520 4.740 -0.000 0.000 0.188 289 N C 1.951 177.500 175.510 0.065 0.000 1.019 289 N CA 1.489 54.546 53.050 0.013 0.000 0.857 289 N CB -0.133 38.267 38.487 -0.144 0.000 0.997 289 N HN 0.761 nan 8.380 nan 0.000 0.426 290 E N 0.705 120.926 120.200 0.036 0.000 2.031 290 E HA -0.193 4.157 4.350 -0.000 0.000 0.193 290 E C 1.888 178.534 176.600 0.078 0.000 0.994 290 E CA 1.314 57.749 56.400 0.058 0.000 0.800 290 E CB -0.181 29.547 29.700 0.046 0.000 0.752 290 E HN 0.355 nan 8.360 nan 0.000 0.447 291 A N 0.754 123.595 122.820 0.035 0.000 1.858 291 A HA -0.142 4.178 4.320 -0.000 0.000 0.216 291 A C 1.366 179.051 177.584 0.167 0.000 1.190 291 A CA 1.181 53.212 52.037 -0.010 0.000 0.617 291 A CB -1.010 17.864 19.000 -0.211 0.000 0.827 291 A HN 0.536 nan 8.150 nan 0.000 0.443 295 L N 0.734 122.020 121.223 0.105 0.000 2.456 295 L HA 0.338 4.677 4.340 -0.000 0.000 0.224 295 L C 0.954 177.814 176.870 -0.018 0.000 1.148 295 L CA 0.790 55.664 54.840 0.057 0.000 0.825 295 L CB -1.121 40.987 42.059 0.081 0.000 0.937 295 L HN 0.427 nan 8.230 nan 0.000 0.450 299 A N 1.938 124.772 122.820 0.022 0.000 1.830 299 A HA -0.078 4.242 4.320 -0.000 0.000 0.214 299 A C 1.522 179.052 177.584 -0.090 0.000 1.218 299 A CA 1.470 53.463 52.037 -0.074 0.000 0.628 299 A CB -0.721 18.232 19.000 -0.079 0.000 0.860 299 A HN 0.244 nan 8.150 nan 0.000 0.454 300 R N -1.264 119.178 120.500 -0.097 0.000 3.441 300 R HA 0.206 4.546 4.340 -0.000 0.000 0.225 300 R C -1.245 174.846 176.300 -0.349 0.000 1.756 300 R CA 0.165 56.139 56.100 -0.210 0.000 1.504 300 R CB -0.540 29.620 30.300 -0.233 0.000 1.183 300 R HN 0.575 nan 8.270 nan 0.000 0.567 301 Y N -1.902 118.360 120.300 -0.063 0.000 2.725 301 Y HA 0.083 4.633 4.550 -0.000 0.000 0.333 301 Y C -0.147 175.727 175.900 -0.043 0.000 1.242 301 Y CA -1.303 56.772 58.100 -0.041 0.000 1.059 301 Y CB 1.473 39.921 38.460 -0.019 0.000 1.306 301 Y HN -0.054 nan 8.280 nan 0.000 0.454 302 S N 0.848 116.680 115.700 0.220 0.000 2.489 302 S HA 0.269 4.739 4.470 -0.000 0.000 0.277 302 S C 0.380 175.016 174.600 0.061 0.000 1.230 302 S CA -0.718 57.538 58.200 0.093 0.000 1.053 302 S CB 1.285 64.541 63.200 0.093 0.000 0.955 302 S HN 0.599 nan 8.310 nan 0.000 0.488 303 K N 2.153 122.559 120.400 0.010 0.000 2.442 303 K HA -0.026 4.294 4.320 -0.000 0.000 0.199 303 K C 1.104 177.698 176.600 -0.010 0.000 1.044 303 K CA 1.130 57.406 56.287 -0.018 0.000 0.941 303 K CB -0.195 32.274 32.500 -0.052 0.000 0.759 303 K HN 0.672 nan 8.250 nan 0.000 0.472 304 D N -0.360 120.049 120.400 0.015 0.000 2.296 304 D HA -0.041 4.599 4.640 -0.000 0.000 0.248 304 D C 1.773 178.099 176.300 0.045 0.000 1.162 304 D CA 0.487 54.501 54.000 0.024 0.000 0.956 304 D CB -0.116 40.705 40.800 0.036 0.000 1.011 304 D HN -0.007 nan 8.370 nan 0.000 0.404 305 R N 1.041 121.584 120.500 0.071 0.000 2.279 305 R HA -0.236 4.104 4.340 -0.000 0.000 0.264 305 R C 2.220 178.566 176.300 0.077 0.000 1.138 305 R CA 1.814 57.968 56.100 0.089 0.000 0.981 305 R CB -0.601 29.755 30.300 0.094 0.000 0.909 305 R HN 0.257 nan 8.270 nan 0.000 0.462 306 I N 1.787 122.389 120.570 0.054 0.000 2.229 306 I HA -0.311 3.859 4.170 -0.000 0.000 0.250 306 I C 2.256 178.437 176.117 0.107 0.000 1.096 306 I CA 1.805 63.142 61.300 0.062 0.000 1.358 306 I CB -1.191 36.839 38.000 0.049 0.000 1.047 306 I HN 0.537 nan 8.210 nan 0.000 0.422 307 L N -1.898 119.364 121.223 0.065 0.000 2.529 307 L HA 0.135 4.475 4.340 -0.000 0.000 0.223 307 L C 2.038 178.960 176.870 0.086 0.000 1.113 307 L CA 0.842 55.710 54.840 0.047 0.000 0.861 307 L CB -0.476 41.533 42.059 -0.082 0.000 1.012 307 L HN 0.183 nan 8.230 nan 0.000 0.461 308 E N 1.067 121.353 120.200 0.143 0.000 2.072 308 E HA -0.125 4.225 4.350 -0.000 0.000 0.190 308 E C 2.256 179.067 176.600 0.352 0.000 0.982 308 E CA 0.958 57.501 56.400 0.238 0.000 0.803 308 E CB 0.085 29.937 29.700 0.252 0.000 0.755 308 E HN 0.619 nan 8.360 nan 0.000 0.453 309 L N 0.109 121.521 121.223 0.314 0.000 2.005 309 L HA -0.103 4.237 4.340 -0.000 0.000 0.207 309 L C 1.774 178.896 176.870 0.420 0.000 1.072 309 L CA 0.613 55.689 54.840 0.393 0.000 0.744 309 L CB -0.693 41.465 42.059 0.165 0.000 0.895 309 L HN 0.217 nan 8.230 nan 0.000 0.433 313 E N 0.930 121.069 120.200 -0.102 0.000 2.290 313 E HA 0.079 4.429 4.350 -0.000 0.000 0.199 313 E C 0.754 177.238 176.600 -0.193 0.000 0.912 313 E CA 0.329 56.655 56.400 -0.124 0.000 0.924 313 E CB 1.058 30.801 29.700 0.072 0.000 0.901 313 E HN 0.154 nan 8.360 nan 0.000 0.487 314 V N 0.963 120.706 119.914 -0.285 0.000 2.928 314 V HA -0.091 4.028 4.120 -0.000 0.000 0.307 314 V C 0.101 176.080 176.094 -0.191 0.000 1.105 314 V CA -0.087 62.046 62.300 -0.278 0.000 1.223 314 V CB -0.348 31.249 31.823 -0.376 0.000 0.930 314 V HN 0.148 nan 8.190 nan 0.000 0.499 315 Y N 4.895 125.068 120.300 -0.211 0.000 2.313 315 Y HA 0.644 5.194 4.550 -0.000 0.000 0.332 315 Y C 0.151 175.970 175.900 -0.136 0.000 1.071 315 Y CA -0.987 57.016 58.100 -0.162 0.000 1.169 315 Y CB 1.161 39.559 38.460 -0.103 0.000 1.192 315 Y HN 0.693 nan 8.280 nan 0.000 0.487 316 L N 7.186 127.960 121.223 -0.747 0.000 2.980 316 L HA 0.527 4.867 4.340 -0.000 0.000 0.314 316 L C 0.035 176.607 176.870 -0.497 0.000 1.303 316 L CA -0.014 54.534 54.840 -0.488 0.000 0.785 316 L CB 0.346 42.270 42.059 -0.225 0.000 1.190 316 L HN 1.026 nan 8.230 nan 0.000 0.567 317 G N 0.197 108.424 108.800 -0.956 0.000 2.423 317 G HA2 0.008 3.968 3.960 -0.000 0.000 0.684 317 G HA3 0.008 3.968 3.960 -0.000 0.000 0.684 317 G C -1.525 173.150 174.900 -0.376 0.000 1.309 317 G CA -0.832 44.020 45.100 -0.414 0.000 0.950 317 G HN 0.100 nan 8.290 nan 0.000 0.587 318 Q N -1.150 118.596 119.800 -0.090 0.000 2.416 318 Q HA 0.821 5.161 4.340 -0.000 0.000 0.279 318 Q C 0.060 176.023 176.000 -0.063 0.000 1.101 318 Q CA -0.192 55.569 55.803 -0.070 0.000 0.830 318 Q CB 2.118 30.889 28.738 0.055 0.000 1.402 318 Q HN 0.936 nan 8.270 nan 0.000 0.445 319 S N 0.159 115.814 115.700 -0.076 0.000 2.472 319 S HA 0.595 5.065 4.470 -0.000 0.000 0.191 319 S C -0.055 174.536 174.600 -0.015 0.000 1.244 319 S CA 0.451 58.652 58.200 0.001 0.000 1.227 319 S CB -0.641 62.549 63.200 -0.016 0.000 1.381 319 S HN 0.960 nan 8.310 nan 0.000 0.394 320 G N 2.734 111.531 108.800 -0.005 0.000 2.846 320 G HA2 -0.197 3.762 3.960 -0.000 0.000 0.225 320 G HA3 -0.197 3.762 3.960 -0.000 0.000 0.225 320 G C -0.022 174.873 174.900 -0.008 0.000 1.285 320 G CA 0.270 45.363 45.100 -0.012 0.000 1.055 320 G HN 0.626 nan 8.290 nan 0.000 0.579 321 D N 1.365 121.756 120.400 -0.016 0.000 2.363 321 D HA 0.138 4.778 4.640 -0.000 0.000 0.214 321 D C 0.134 176.424 176.300 -0.017 0.000 1.093 321 D CA -0.120 53.873 54.000 -0.011 0.000 0.837 321 D CB -0.140 40.652 40.800 -0.013 0.000 0.948 321 D HN 0.287 nan 8.370 nan 0.000 0.507 322 N N 1.586 120.266 118.700 -0.033 0.000 2.473 322 N HA 0.132 4.872 4.740 -0.000 0.000 0.291 322 N C 0.113 175.586 175.510 -0.062 0.000 1.083 322 N CA -0.274 52.745 53.050 -0.052 0.000 0.951 322 N CB 1.751 40.193 38.487 -0.075 0.000 1.164 322 N HN 0.082 nan 8.380 nan 0.000 0.480 323 E N 1.109 121.276 120.200 -0.053 0.000 2.349 323 E HA 0.371 4.720 4.350 -0.000 0.000 0.262 323 E C -0.022 176.471 176.600 -0.179 0.000 1.088 323 E CA -0.293 56.082 56.400 -0.042 0.000 0.899 323 E CB 1.487 31.209 29.700 0.036 0.000 1.044 323 E HN 0.427 nan 8.360 nan 0.000 0.420 324 I N 2.325 122.720 120.570 -0.291 0.000 2.382 324 I HA 0.322 4.491 4.170 -0.000 0.000 0.285 324 I C 0.115 176.011 176.117 -0.368 0.000 1.007 324 I CA -0.344 60.707 61.300 -0.415 0.000 1.142 324 I CB 1.070 38.677 38.000 -0.655 0.000 1.289 324 I HN 0.092 nan 8.210 nan 0.000 0.453 325 R N 3.600 123.924 120.500 -0.293 0.000 2.744 325 R HA 0.785 5.125 4.340 -0.000 0.000 0.279 325 R C -0.415 175.720 176.300 -0.274 0.000 0.977 325 R CA -0.598 55.340 56.100 -0.271 0.000 0.906 325 R CB 2.292 32.444 30.300 -0.247 0.000 1.197 325 R HN 0.820 nan 8.270 nan 0.000 0.463 326 G N 0.959 109.598 108.800 -0.268 0.000 2.733 326 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.686 326 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.686 326 G C -0.179 174.643 174.900 -0.130 0.000 1.373 326 G CA -0.613 44.388 45.100 -0.165 0.000 0.838 326 G HN 0.491 nan 8.290 nan 0.000 0.588 327 F N 1.766 121.763 119.950 0.078 0.000 2.163 327 F HA 0.113 4.639 4.527 -0.000 0.000 0.297 327 F C 0.646 176.541 175.800 0.158 0.000 1.094 327 F CA 2.157 60.248 58.000 0.151 0.000 1.290 327 F CB -1.084 38.056 39.000 0.233 0.000 1.017 327 F HN 0.397 nan 8.300 nan 0.000 0.483 328 P HA -0.246 nan 4.420 nan 0.000 0.217 328 P C 1.899 179.255 177.300 0.093 0.000 1.158 328 P CA 1.507 64.695 63.100 0.146 0.000 0.887 328 P CB -0.041 31.683 31.700 0.040 0.000 0.792 329 L N -1.135 120.112 121.223 0.040 0.000 2.095 329 L HA 0.093 4.432 4.340 -0.000 0.000 0.204 329 L C 2.265 179.149 176.870 0.023 0.000 1.080 329 L CA 1.701 56.537 54.840 -0.007 0.000 0.759 329 L CB -1.549 40.453 42.059 -0.093 0.000 0.914 329 L HN -0.138 nan 8.230 nan 0.000 0.439 330 A N -0.796 122.033 122.820 0.016 0.000 1.884 330 A HA -0.297 4.022 4.320 -0.000 0.000 0.219 330 A C 2.358 180.076 177.584 0.223 0.000 1.197 330 A CA 2.485 54.564 52.037 0.070 0.000 0.637 330 A CB -1.223 17.830 19.000 0.090 0.000 0.827 330 A HN 0.563 nan 8.150 nan 0.000 0.450 331 S N 0.013 115.879 115.700 0.277 0.000 2.369 331 S HA -0.196 4.274 4.470 -0.000 0.000 0.225 331 S C 1.836 176.591 174.600 0.259 0.000 1.043 331 S CA 1.612 60.012 58.200 0.333 0.000 1.074 331 S CB -0.554 62.804 63.200 0.264 0.000 0.962 331 S HN 0.402 nan 8.310 nan 0.000 0.433 332 L N 0.255 121.575 121.223 0.162 0.000 1.956 332 L HA -0.171 4.169 4.340 -0.000 0.000 0.216 332 L C 2.145 179.078 176.870 0.105 0.000 1.073 332 L CA 2.052 56.959 54.840 0.110 0.000 0.762 332 L CB -1.698 40.396 42.059 0.058 0.000 0.889 332 L HN 0.364 nan 8.230 nan 0.000 0.433 333 Y N -0.649 119.609 120.300 -0.071 0.000 2.040 333 Y HA -0.381 4.169 4.550 -0.000 0.000 0.275 333 Y C 2.755 178.594 175.900 -0.102 0.000 1.171 333 Y CA 2.256 60.259 58.100 -0.162 0.000 1.123 333 Y CB -0.341 37.907 38.460 -0.353 0.000 0.963 333 Y HN 0.106 nan 8.280 nan 0.000 0.493 334 Y N -2.593 117.728 120.300 0.035 0.000 2.243 334 Y HA -0.079 4.471 4.550 -0.000 0.000 0.293 334 Y C 1.565 177.215 175.900 -0.417 0.000 1.124 334 Y CA 1.269 59.182 58.100 -0.311 0.000 1.159 334 Y CB -0.397 37.645 38.460 -0.696 0.000 1.008 334 Y HN 0.098 nan 8.280 nan 0.000 0.527 335 F N -1.621 118.460 119.950 0.217 0.000 2.706 335 F HA 0.399 4.926 4.527 -0.000 0.000 0.313 335 F C 1.629 177.482 175.800 0.087 0.000 1.096 335 F CA -0.055 58.025 58.000 0.134 0.000 1.219 335 F CB 0.088 39.157 39.000 0.115 0.000 1.051 335 F HN -0.018 nan 8.300 nan 0.000 0.568 336 G N 1.979 110.905 108.800 0.210 0.000 2.305 336 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.287 336 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.287 336 G C 0.145 175.113 174.900 0.114 0.000 1.036 336 G CA 0.047 45.221 45.100 0.123 0.000 0.887 336 G HN 0.390 nan 8.290 nan 0.000 0.505 337 R N -0.541 120.043 120.500 0.140 0.000 2.686 337 R HA 0.449 4.789 4.340 -0.000 0.000 0.283 337 R C -2.875 173.470 176.300 0.075 0.000 0.978 337 R CA -2.300 53.850 56.100 0.083 0.000 0.897 337 R CB 1.936 32.284 30.300 0.081 0.000 1.192 337 R HN -0.011 nan 8.270 nan 0.000 0.457 338 P HA -0.140 nan 4.420 nan 0.000 0.264 338 P C 0.912 178.234 177.300 0.037 0.000 1.179 338 P CA 0.146 63.262 63.100 0.026 0.000 0.763 338 P CB 0.640 32.340 31.700 -0.000 0.000 0.806 339 V N 3.102 123.038 119.914 0.037 0.000 2.828 339 V HA -0.209 3.911 4.120 -0.000 0.000 0.260 339 V C 1.695 177.799 176.094 0.017 0.000 1.101 339 V CA 1.990 64.332 62.300 0.070 0.000 1.123 339 V CB -0.983 30.890 31.823 0.085 0.000 0.704 339 V HN 0.634 nan 8.190 nan 0.000 0.493 340 E N 0.107 120.286 120.200 -0.035 0.000 2.427 340 E HA -0.106 4.244 4.350 -0.000 0.000 0.196 340 E C 0.877 177.469 176.600 -0.014 0.000 1.028 340 E CA 0.765 57.140 56.400 -0.042 0.000 0.864 340 E CB 0.113 29.776 29.700 -0.060 0.000 0.813 340 E HN 0.844 nan 8.360 nan 0.000 0.514 341 E N 0.799 120.995 120.200 -0.006 0.000 3.157 341 E HA 0.154 4.504 4.350 -0.000 0.000 0.203 341 E C -0.876 175.710 176.600 -0.024 0.000 0.982 341 E CA -0.355 56.037 56.400 -0.013 0.000 1.217 341 E CB 0.811 30.500 29.700 -0.020 0.000 1.123 341 E HN 0.035 nan 8.360 nan 0.000 0.457 342 L N 2.585 123.795 121.223 -0.022 0.000 2.281 342 L HA 0.184 4.524 4.340 -0.000 0.000 0.285 342 L C 0.749 177.568 176.870 -0.085 0.000 1.074 342 L CA -0.086 54.716 54.840 -0.063 0.000 0.817 342 L CB 0.593 42.636 42.059 -0.027 0.000 1.168 342 L HN 0.177 nan 8.230 nan 0.000 0.434 343 S N 2.959 118.582 115.700 -0.128 0.000 2.552 343 S HA 0.017 4.487 4.470 -0.000 0.000 0.289 343 S C 1.291 175.822 174.600 -0.114 0.000 1.304 343 S CA -0.652 57.480 58.200 -0.112 0.000 1.063 343 S CB 0.848 63.972 63.200 -0.127 0.000 0.848 343 S HN 0.537 nan 8.310 nan 0.000 0.499 344 L N 2.300 123.476 121.223 -0.078 0.000 2.189 344 L HA -0.154 4.186 4.340 -0.000 0.000 0.214 344 L C 1.822 178.648 176.870 -0.074 0.000 1.097 344 L CA 2.288 57.087 54.840 -0.067 0.000 0.764 344 L CB -1.321 40.708 42.059 -0.051 0.000 0.900 344 L HN 0.923 nan 8.230 nan 0.000 0.436 345 D N -1.564 118.784 120.400 -0.086 0.000 2.097 345 D HA -0.259 4.381 4.640 -0.000 0.000 0.195 345 D C 1.857 178.098 176.300 -0.098 0.000 0.989 345 D CA 1.679 55.630 54.000 -0.080 0.000 0.827 345 D CB -0.581 40.176 40.800 -0.071 0.000 0.966 345 D HN 0.545 nan 8.370 nan 0.000 0.456 346 Q N -0.062 119.619 119.800 -0.199 0.000 2.020 346 Q HA -0.163 4.177 4.340 -0.000 0.000 0.198 346 Q C 2.382 178.343 176.000 -0.064 0.000 0.974 346 Q CA 1.220 56.857 55.803 -0.278 0.000 0.829 346 Q CB -0.359 27.800 28.738 -0.965 0.000 0.894 346 Q HN 0.431 nan 8.270 nan 0.000 0.433 347 Q N 0.562 120.311 119.800 -0.085 0.000 2.242 347 Q HA -0.263 4.076 4.340 -0.000 0.000 0.211 347 Q C 1.802 177.807 176.000 0.009 0.000 0.992 347 Q CA 1.680 57.475 55.803 -0.014 0.000 0.889 347 Q CB -0.144 28.564 28.738 -0.050 0.000 0.913 347 Q HN 0.413 nan 8.270 nan 0.000 0.422 348 A N 0.089 122.903 122.820 -0.010 0.000 1.975 348 A HA -0.056 4.263 4.320 -0.000 0.000 0.215 348 A C 1.862 179.456 177.584 0.016 0.000 1.170 348 A CA 0.746 52.779 52.037 -0.007 0.000 0.656 348 A CB -0.435 18.548 19.000 -0.029 0.000 0.821 348 A HN 0.466 nan 8.150 nan 0.000 0.449 349 L N -0.299 120.939 121.223 0.025 0.000 1.989 349 L HA -0.133 4.207 4.340 -0.000 0.000 0.211 349 L C 2.088 178.971 176.870 0.022 0.000 1.071 349 L CA 1.839 56.681 54.840 0.004 0.000 0.749 349 L CB -0.849 41.236 42.059 0.044 0.000 0.890 349 L HN 0.256 nan 8.230 nan 0.000 0.431 350 L N -0.933 120.383 121.223 0.154 0.000 2.081 350 L HA -0.214 4.126 4.340 -0.000 0.000 0.212 350 L C 2.541 179.616 176.870 0.340 0.000 1.080 350 L CA 1.548 56.541 54.840 0.256 0.000 0.754 350 L CB -1.145 41.237 42.059 0.538 0.000 0.893 350 L HN 0.147 nan 8.230 nan 0.000 0.433 351 V N -0.508 119.607 119.914 0.336 0.000 2.332 351 V HA -0.149 3.970 4.120 -0.000 0.000 0.248 351 V C 1.745 177.912 176.094 0.122 0.000 1.055 351 V CA 1.289 63.759 62.300 0.284 0.000 1.038 351 V CB -1.542 30.347 31.823 0.109 0.000 0.651 351 V HN 0.506 nan 8.190 nan 0.000 0.450 355 K N 1.459 121.973 120.400 0.190 0.000 2.366 355 K HA 0.227 4.547 4.320 -0.000 0.000 0.198 355 K C 0.791 177.563 176.600 0.287 0.000 1.044 355 K CA 1.472 57.908 56.287 0.248 0.000 0.973 355 K CB 0.442 33.111 32.500 0.280 0.000 0.767 355 K HN 0.839 nan 8.250 nan 0.000 0.475 356 G N 0.011 109.049 108.800 0.396 0.000 3.561 356 G HA2 0.272 4.232 3.960 -0.000 0.000 0.248 356 G HA3 0.272 4.232 3.960 -0.000 0.000 0.248 356 G C 0.139 175.242 174.900 0.338 0.000 3.909 356 G CA -0.018 45.227 45.100 0.242 0.000 0.463 356 G HN 0.111 nan 8.290 nan 0.000 0.270 357 A N 0.325 123.398 122.820 0.421 0.000 2.178 357 A HA 0.203 4.523 4.320 -0.000 0.000 0.218 357 A C 2.399 180.153 177.584 0.283 0.000 1.157 357 A CA 2.351 54.586 52.037 0.330 0.000 0.689 357 A CB -0.021 19.035 19.000 0.093 0.000 0.787 357 A HN 0.690 nan 8.150 nan 0.000 0.465 358 S N -0.254 115.635 115.700 0.314 0.000 2.377 358 S HA -0.026 4.444 4.470 -0.000 0.000 0.223 358 S C 1.745 176.381 174.600 0.060 0.000 1.030 358 S CA 1.017 59.336 58.200 0.199 0.000 0.970 358 S CB -0.225 63.076 63.200 0.170 0.000 0.830 358 S HN 0.769 nan 8.310 nan 0.000 0.473 359 I N -1.570 118.956 120.570 -0.074 0.000 3.564 359 I HA 0.087 4.257 4.170 -0.000 0.000 0.294 359 I C 0.557 176.502 176.117 -0.286 0.000 1.289 359 I CA 1.141 62.316 61.300 -0.209 0.000 1.325 359 I CB -0.818 36.984 38.000 -0.329 0.000 1.039 359 I HN 0.196 nan 8.210 nan 0.000 0.474 360 Y N 0.816 121.126 120.300 0.017 0.000 2.462 360 Y HA 0.271 4.821 4.550 -0.000 0.000 0.253 360 Y C 1.126 176.966 175.900 -0.100 0.000 1.095 360 Y CA -0.939 57.136 58.100 -0.043 0.000 1.283 360 Y CB -0.610 37.816 38.460 -0.056 0.000 1.138 360 Y HN 0.172 nan 8.280 nan 0.000 0.522 361 N N 3.694 122.448 118.700 0.091 0.000 2.111 361 N HA -0.126 4.613 4.740 -0.000 0.000 0.281 361 N C -2.031 173.423 175.510 -0.093 0.000 1.384 361 N CA -0.120 52.958 53.050 0.047 0.000 0.994 361 N CB 0.476 39.083 38.487 0.201 0.000 1.411 361 N HN 0.135 nan 8.380 nan 0.000 0.485 362 P HA -0.166 nan 4.420 nan 0.000 0.219 362 P C 0.949 178.031 177.300 -0.364 0.000 1.145 362 P CA 1.284 64.084 63.100 -0.501 0.000 0.813 362 P CB 0.039 31.201 31.700 -0.896 0.000 0.771 363 W N -0.846 120.486 121.300 0.053 0.000 2.587 363 W HA 0.147 4.807 4.660 -0.000 0.000 0.307 363 W C 1.281 177.825 176.519 0.042 0.000 1.138 363 W CA -0.060 57.310 57.345 0.043 0.000 1.450 363 W CB -1.482 28.006 29.460 0.047 0.000 1.149 363 W HN -0.168 nan 8.180 nan 0.000 0.512 364 R N 3.071 123.763 120.500 0.320 0.000 2.399 364 R HA -0.048 4.291 4.340 -0.000 0.000 0.324 364 R C 0.014 176.380 176.300 0.109 0.000 1.030 364 R CA 0.601 56.811 56.100 0.184 0.000 0.984 364 R CB -0.832 29.575 30.300 0.178 0.000 0.961 364 R HN 0.370 nan 8.270 nan 0.000 0.433 365 N N 3.448 122.198 118.700 0.083 0.000 2.537 365 N HA -0.134 4.606 4.740 -0.000 0.000 0.286 365 N C -2.395 173.138 175.510 0.039 0.000 1.245 365 N CA 0.428 53.510 53.050 0.053 0.000 0.704 365 N CB -0.543 37.966 38.487 0.037 0.000 0.910 365 N HN 0.427 nan 8.380 nan 0.000 0.542 366 P HA -0.178 nan 4.420 nan 0.000 0.215 366 P C 1.017 178.327 177.300 0.018 0.000 1.157 366 P CA 1.087 64.191 63.100 0.006 0.000 0.856 366 P CB 0.174 31.884 31.700 0.017 0.000 0.786 367 K N -0.017 120.401 120.400 0.029 0.000 2.032 367 K HA -0.195 4.124 4.320 -0.000 0.000 0.218 367 K C 2.331 178.954 176.600 0.038 0.000 1.054 367 K CA 1.541 57.846 56.287 0.030 0.000 0.941 367 K CB -1.048 31.470 32.500 0.031 0.000 0.720 367 K HN 0.111 nan 8.250 nan 0.000 0.449 368 L N 0.447 121.700 121.223 0.050 0.000 1.989 368 L HA -0.235 4.104 4.340 -0.000 0.000 0.211 368 L C 2.454 179.398 176.870 0.124 0.000 1.071 368 L CA 1.558 56.446 54.840 0.081 0.000 0.749 368 L CB -0.454 41.647 42.059 0.069 0.000 0.890 368 L HN 0.274 nan 8.230 nan 0.000 0.431 369 A N -0.280 122.609 122.820 0.115 0.000 1.948 369 A HA -0.254 4.066 4.320 -0.000 0.000 0.220 369 A C 2.210 179.790 177.584 -0.007 0.000 1.177 369 A CA 1.858 53.948 52.037 0.088 0.000 0.636 369 A CB -0.884 18.111 19.000 -0.007 0.000 0.815 369 A HN 0.535 nan 8.150 nan 0.000 0.449 370 L N -0.095 121.128 121.223 -0.001 0.000 2.056 370 L HA -0.145 4.194 4.340 -0.000 0.000 0.207 370 L C 2.189 179.053 176.870 -0.011 0.000 1.078 370 L CA 2.351 57.184 54.840 -0.012 0.000 0.749 370 L CB -1.102 40.959 42.059 0.003 0.000 0.901 370 L HN 0.546 nan 8.230 nan 0.000 0.433 371 E N -0.541 119.666 120.200 0.011 0.000 2.058 371 E HA -0.250 4.100 4.350 -0.000 0.000 0.194 371 E C 2.181 178.775 176.600 -0.009 0.000 0.997 371 E CA 0.775 57.182 56.400 0.011 0.000 0.801 371 E CB -0.112 29.610 29.700 0.037 0.000 0.746 371 E HN 0.270 nan 8.360 nan 0.000 0.450 372 R N 1.145 121.632 120.500 -0.022 0.000 2.152 372 R HA -0.070 4.269 4.340 -0.000 0.000 0.232 372 R C 2.010 178.232 176.300 -0.129 0.000 1.117 372 R CA 0.716 56.749 56.100 -0.111 0.000 0.981 372 R CB -0.299 29.790 30.300 -0.352 0.000 0.870 372 R HN 0.033 nan 8.270 nan 0.000 0.451 373 R N 0.769 121.206 120.500 -0.105 0.000 2.316 373 R HA -0.038 4.302 4.340 -0.000 0.000 0.202 373 R C 0.345 176.612 176.300 -0.055 0.000 1.029 373 R CA 0.716 56.769 56.100 -0.079 0.000 1.018 373 R CB 0.081 30.346 30.300 -0.058 0.000 0.888 373 R HN 0.247 nan 8.270 nan 0.000 0.471 374 N N -0.082 118.590 118.700 -0.047 0.000 2.571 374 N HA -0.095 4.645 4.740 -0.000 0.000 0.195 374 N C 1.542 177.031 175.510 -0.035 0.000 1.040 374 N CA 0.183 53.209 53.050 -0.040 0.000 0.890 374 N CB -0.585 37.882 38.487 -0.033 0.000 1.233 374 N HN 0.050 nan 8.380 nan 0.000 0.435 375 L N 2.257 123.462 121.223 -0.030 0.000 2.129 375 L HA -0.124 4.216 4.340 -0.000 0.000 0.212 375 L C 1.880 178.734 176.870 -0.027 0.000 1.087 375 L CA 1.319 56.145 54.840 -0.023 0.000 0.757 375 L CB -0.632 41.420 42.059 -0.012 0.000 0.896 375 L HN 0.088 nan 8.230 nan 0.000 0.434 376 V N -3.617 116.274 119.914 -0.037 0.000 2.239 376 V HA -0.182 3.938 4.120 -0.000 0.000 0.242 376 V C 2.406 178.480 176.094 -0.034 0.000 1.038 376 V CA 1.282 63.562 62.300 -0.034 0.000 1.002 376 V CB -1.212 30.588 31.823 -0.039 0.000 0.641 376 V HN 0.311 nan 8.190 nan 0.000 0.449 377 L N 0.015 121.215 121.223 -0.038 0.000 1.978 377 L HA -0.114 4.226 4.340 -0.000 0.000 0.218 377 L C 2.161 179.008 176.870 -0.037 0.000 1.075 377 L CA 1.725 56.541 54.840 -0.039 0.000 0.767 377 L CB -0.981 41.051 42.059 -0.044 0.000 0.890 377 L HN 0.261 nan 8.230 nan 0.000 0.434 378 R N 0.835 121.313 120.500 -0.037 0.000 2.710 378 R HA 0.061 4.401 4.340 -0.000 0.000 0.301 378 R C -1.286 174.998 176.300 -0.028 0.000 1.331 378 R CA 0.257 56.337 56.100 -0.033 0.000 0.996 378 R CB -0.991 29.290 30.300 -0.032 0.000 1.075 378 R HN 0.107 nan 8.270 nan 0.000 0.500 379 L N 5.086 126.293 121.223 -0.028 0.000 2.666 379 L HA 0.094 4.433 4.340 -0.000 0.000 0.258 379 L C -0.030 176.826 176.870 -0.024 0.000 0.991 379 L CA -0.311 54.514 54.840 -0.025 0.000 0.916 379 L CB 1.050 43.094 42.059 -0.025 0.000 1.199 379 L HN 0.434 nan 8.230 nan 0.000 0.439 380 L N 1.553 122.763 121.223 -0.022 0.000 5.153 380 L HA -0.381 3.959 4.340 -0.000 0.000 0.053 380 L C 0.763 177.620 176.870 -0.021 0.000 2.685 380 L CA 1.935 56.763 54.840 -0.021 0.000 1.719 380 L CB -1.321 40.726 42.059 -0.020 0.000 2.722 380 L HN 0.715 nan 8.230 nan 0.000 0.868 381 Q N -0.286 119.502 119.800 -0.020 0.000 2.700 381 Q HA 0.350 4.690 4.340 -0.000 0.000 0.232 381 Q C 0.016 176.003 176.000 -0.022 0.000 1.110 381 Q CA 0.207 55.998 55.803 -0.020 0.000 1.026 381 Q CB -0.032 28.694 28.738 -0.019 0.000 1.311 381 Q HN 0.322 nan 8.270 nan 0.000 0.583 382 Q N -0.298 119.490 119.800 -0.021 0.000 2.447 382 Q HA -0.244 4.096 4.340 -0.000 0.000 0.316 382 Q C -0.560 175.426 176.000 -0.023 0.000 1.448 382 Q CA 1.332 57.122 55.803 -0.022 0.000 0.804 382 Q CB -1.853 26.871 28.738 -0.024 0.000 1.107 382 Q HN 0.866 nan 8.270 nan 0.000 0.373 383 Q N -3.492 116.295 119.800 -0.022 0.000 1.423 383 Q HA 0.066 4.406 4.340 -0.000 0.000 0.149 383 Q C 1.028 177.018 176.000 -0.018 0.000 0.622 383 Q CA 0.445 56.237 55.803 -0.019 0.000 0.651 383 Q CB -0.360 28.368 28.738 -0.016 0.000 1.132 383 Q HN 0.154 nan 8.270 nan 0.000 0.346 384 Q N 0.912 120.701 119.800 -0.019 0.000 2.519 384 Q HA 0.476 4.816 4.340 -0.000 0.000 0.248 384 Q C -0.278 175.710 176.000 -0.021 0.000 0.804 384 Q CA 0.815 56.607 55.803 -0.017 0.000 0.979 384 Q CB 1.534 30.264 28.738 -0.014 0.000 1.282 384 Q HN 0.544 nan 8.270 nan 0.000 0.558 385 I N -1.517 119.038 120.570 -0.024 0.000 2.447 385 I HA 0.474 4.644 4.170 -0.000 0.000 0.287 385 I C -0.559 175.534 176.117 -0.041 0.000 1.023 385 I CA -0.712 60.570 61.300 -0.030 0.000 1.083 385 I CB 1.654 39.639 38.000 -0.024 0.000 1.245 385 I HN -0.068 nan 8.210 nan 0.000 0.434 386 I N 4.264 124.803 120.570 -0.052 0.000 4.025 386 I HA 0.122 4.292 4.170 -0.000 0.000 0.336 386 I C 0.909 176.966 176.117 -0.100 0.000 1.390 386 I CA 0.439 61.700 61.300 -0.066 0.000 1.099 386 I CB 0.002 37.967 38.000 -0.058 0.000 1.049 386 I HN 0.767 nan 8.210 nan 0.000 0.394 387 D N -0.684 119.653 120.400 -0.104 0.000 2.355 387 D HA -0.082 4.558 4.640 -0.000 0.000 0.233 387 D C 1.754 177.935 176.300 -0.199 0.000 0.997 387 D CA 0.407 54.305 54.000 -0.170 0.000 0.920 387 D CB -0.399 40.333 40.800 -0.114 0.000 1.063 387 D HN -0.014 nan 8.370 nan 0.000 0.465 388 Q N 0.879 120.640 119.800 -0.065 0.000 1.967 388 Q HA -0.230 4.109 4.340 -0.000 0.000 0.210 388 Q C 2.135 178.152 176.000 0.028 0.000 1.005 388 Q CA 2.104 57.926 55.803 0.031 0.000 0.862 388 Q CB -0.802 27.957 28.738 0.035 0.000 0.939 388 Q HN 0.482 nan 8.270 nan 0.000 0.417 389 E N 1.531 121.724 120.200 -0.011 0.000 2.114 389 E HA -0.167 4.183 4.350 -0.000 0.000 0.199 389 E C 1.866 178.450 176.600 -0.027 0.000 1.008 389 E CA 0.754 57.145 56.400 -0.015 0.000 0.810 389 E CB -0.765 28.914 29.700 -0.035 0.000 0.739 389 E HN 0.145 nan 8.360 nan 0.000 0.456 390 L N 0.232 121.395 121.223 -0.099 0.000 2.651 390 L HA -0.083 4.257 4.340 -0.000 0.000 0.236 390 L C -0.016 176.787 176.870 -0.112 0.000 1.173 390 L CA 0.984 55.747 54.840 -0.129 0.000 0.843 390 L CB -1.019 40.923 42.059 -0.195 0.000 0.964 390 L HN 0.141 nan 8.230 nan 0.000 0.454 391 Y N 0.931 121.225 120.300 -0.010 0.000 2.556 391 Y HA 0.263 4.813 4.550 -0.000 0.000 0.352 391 Y C 0.712 176.609 175.900 -0.004 0.000 1.006 391 Y CA -1.012 57.085 58.100 -0.006 0.000 1.277 391 Y CB -0.327 38.129 38.460 -0.007 0.000 1.136 391 Y HN 0.205 nan 8.280 nan 0.000 0.523 395 S N 1.088 116.998 115.700 0.351 0.000 3.551 395 S HA -0.026 4.444 4.470 -0.000 0.000 0.547 395 S C 0.252 174.940 174.600 0.147 0.000 0.699 395 S CA 0.996 59.210 58.200 0.023 0.000 1.399 395 S CB -1.270 61.772 63.200 -0.262 0.000 0.922 395 S HN 1.375 nan 8.310 nan 0.000 0.818 396 A N 5.213 128.147 122.820 0.189 0.000 2.482 396 A HA 0.412 4.732 4.320 -0.000 0.000 0.249 396 A C 0.773 178.520 177.584 0.272 0.000 1.114 396 A CA 0.504 52.653 52.037 0.186 0.000 0.797 396 A CB 0.188 19.262 19.000 0.124 0.000 1.067 396 A HN 0.902 nan 8.150 nan 0.000 0.514 397 R N 0.777 121.347 120.500 0.117 0.000 2.254 397 R HA 0.374 4.714 4.340 -0.000 0.000 0.318 397 R C -1.907 174.251 176.300 -0.237 0.000 1.031 397 R CA -1.299 54.789 56.100 -0.019 0.000 0.905 397 R CB 0.560 30.849 30.300 -0.019 0.000 1.050 397 R HN 0.690 nan 8.270 nan 0.000 0.456 408 I N 3.031 123.542 120.570 -0.098 0.000 2.142 408 I HA 0.029 4.199 4.170 -0.000 0.000 0.240 408 I C 1.213 177.312 176.117 -0.030 0.000 1.078 408 I CA 2.719 63.994 61.300 -0.041 0.000 1.343 408 I CB 0.427 38.388 38.000 -0.065 0.000 1.046 408 I HN 0.825 nan 8.210 nan 0.000 0.405 409 S N 0.856 116.529 115.700 -0.044 0.000 2.592 409 S HA 0.446 4.916 4.470 -0.000 0.000 0.151 409 S C -2.627 171.954 174.600 -0.033 0.000 1.280 409 S CA -1.154 57.024 58.200 -0.037 0.000 1.187 409 S CB -0.142 63.036 63.200 -0.036 0.000 1.471 409 S HN 0.015 nan 8.310 nan 0.000 0.409 410 P HA 0.193 nan 4.420 nan 0.000 0.267 410 P C -0.397 176.893 177.300 -0.017 0.000 1.200 410 P CA 0.592 63.666 63.100 -0.043 0.000 0.772 410 P CB 0.285 31.934 31.700 -0.086 0.000 0.855 411 Q N 0.009 119.827 119.800 0.031 0.000 2.463 411 Q HA -0.152 4.188 4.340 -0.000 0.000 0.299 411 Q C -1.497 174.572 176.000 0.116 0.000 1.353 411 Q CA 0.572 56.436 55.803 0.103 0.000 0.828 411 Q CB -2.614 26.159 28.738 0.059 0.000 1.157 411 Q HN 0.498 nan 8.270 nan 0.000 0.436 412 P HA -0.164 nan 4.420 nan 0.000 0.217 412 P C 1.146 178.486 177.300 0.067 0.000 1.148 412 P CA 2.163 65.294 63.100 0.052 0.000 0.828 412 P CB 0.166 31.886 31.700 0.034 0.000 0.783 413 A N -1.277 121.605 122.820 0.104 0.000 1.850 413 A HA 0.030 4.350 4.320 -0.000 0.000 0.212 413 A C 1.172 178.837 177.584 0.135 0.000 1.208 413 A CA 0.155 52.248 52.037 0.093 0.000 0.609 413 A CB -1.451 17.604 19.000 0.091 0.000 0.860 413 A HN 0.136 nan 8.150 nan 0.000 0.448 417 L N 1.780 122.900 121.223 -0.171 0.000 1.976 417 L HA -0.043 4.297 4.340 -0.000 0.000 0.209 417 L C 2.066 178.794 176.870 -0.236 0.000 1.071 417 L CA 2.276 56.984 54.840 -0.220 0.000 0.746 417 L CB -0.917 40.951 42.059 -0.317 0.000 0.890 417 L HN 0.254 nan 8.230 nan 0.000 0.432 418 V N 0.104 119.814 119.914 -0.340 0.000 2.220 418 V HA -0.398 3.721 4.120 -0.000 0.000 0.250 418 V C 2.780 178.800 176.094 -0.123 0.000 1.056 418 V CA 2.413 64.576 62.300 -0.227 0.000 1.016 418 V CB -0.768 30.949 31.823 -0.175 0.000 0.639 418 V HN 0.498 nan 8.190 nan 0.000 0.446 419 R N -0.343 120.099 120.500 -0.097 0.000 2.134 419 R HA -0.276 4.063 4.340 -0.000 0.000 0.248 419 R C 2.472 178.730 176.300 -0.070 0.000 1.143 419 R CA 2.500 58.560 56.100 -0.066 0.000 0.957 419 R CB -0.568 29.701 30.300 -0.052 0.000 0.867 419 R HN 0.740 nan 8.270 nan 0.000 0.441 420 Q N 0.126 119.878 119.800 -0.080 0.000 1.993 420 Q HA -0.239 4.101 4.340 -0.000 0.000 0.202 420 Q C 1.954 177.905 176.000 -0.081 0.000 0.984 420 Q CA 2.042 57.802 55.803 -0.073 0.000 0.837 420 Q CB -0.216 28.479 28.738 -0.072 0.000 0.902 420 Q HN 0.468 nan 8.270 nan 0.000 0.423 421 E N -0.389 119.752 120.200 -0.099 0.000 2.267 421 E HA -0.185 4.165 4.350 -0.000 0.000 0.197 421 E C 1.950 178.468 176.600 -0.137 0.000 0.998 421 E CA 0.483 56.818 56.400 -0.108 0.000 0.830 421 E CB 0.119 29.756 29.700 -0.105 0.000 0.751 421 E HN 0.327 nan 8.360 nan 0.000 0.491 422 L N 0.796 121.950 121.223 -0.115 0.000 1.961 422 L HA -0.219 4.121 4.340 -0.000 0.000 0.210 422 L C 2.632 179.442 176.870 -0.100 0.000 1.072 422 L CA 1.853 56.625 54.840 -0.113 0.000 0.749 422 L CB -1.598 40.421 42.059 -0.066 0.000 0.889 422 L HN 0.265 nan 8.230 nan 0.000 0.432 423 Q N 0.013 119.771 119.800 -0.070 0.000 2.118 423 Q HA -0.230 4.110 4.340 -0.000 0.000 0.211 423 Q C 2.069 178.034 176.000 -0.058 0.000 0.998 423 Q CA 2.653 58.424 55.803 -0.053 0.000 0.872 423 Q CB -0.423 28.290 28.738 -0.043 0.000 0.925 423 Q HN 0.446 nan 8.270 nan 0.000 0.414 424 A N 0.325 123.104 122.820 -0.068 0.000 1.865 424 A HA -0.199 4.121 4.320 -0.000 0.000 0.217 424 A C 2.003 179.540 177.584 -0.078 0.000 1.191 424 A CA 1.964 53.964 52.037 -0.063 0.000 0.623 424 A CB -0.519 18.443 19.000 -0.063 0.000 0.826 424 A HN 0.426 nan 8.150 nan 0.000 0.444 425 K N -1.575 118.743 120.400 -0.138 0.000 2.487 425 K HA 0.201 4.521 4.320 -0.000 0.000 0.192 425 K C 0.629 177.142 176.600 -0.145 0.000 1.027 425 K CA 0.162 56.333 56.287 -0.194 0.000 1.054 425 K CB 0.173 32.400 32.500 -0.455 0.000 0.824 425 K HN 0.297 nan 8.250 nan 0.000 0.510 426 L N -1.949 119.219 121.223 -0.092 0.000 2.746 426 L HA 0.298 4.638 4.340 -0.000 0.000 0.230 426 L C 0.909 177.770 176.870 -0.015 0.000 1.034 426 L CA 1.111 55.928 54.840 -0.039 0.000 0.922 426 L CB 0.483 42.521 42.059 -0.034 0.000 1.496 426 L HN 0.255 nan 8.230 nan 0.000 0.498 427 G N 0.371 109.157 108.800 -0.023 0.000 2.482 427 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.214 427 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.214 427 G C 0.044 174.938 174.900 -0.010 0.000 1.271 427 G CA 0.186 45.279 45.100 -0.012 0.000 0.944 427 G HN 0.201 nan 8.290 nan 0.000 0.568 428 D N 0.042 120.440 120.400 -0.003 0.000 2.277 428 D HA 0.050 4.690 4.640 -0.000 0.000 0.209 428 D C 1.025 177.328 176.300 0.004 0.000 0.970 428 D CA 0.405 54.404 54.000 -0.001 0.000 0.874 428 D CB -0.092 40.708 40.800 -0.000 0.000 0.982 428 D HN 0.324 nan 8.370 nan 0.000 0.504 429 K N 1.291 121.697 120.400 0.009 0.000 2.046 429 K HA 0.103 4.422 4.320 -0.000 0.000 0.248 429 K C 0.382 176.994 176.600 0.019 0.000 1.123 429 K CA 0.146 56.442 56.287 0.015 0.000 1.145 429 K CB 0.540 33.052 32.500 0.019 0.000 1.028 429 K HN 0.218 nan 8.250 nan 0.000 0.354 430 V N 1.759 121.683 119.914 0.016 0.000 4.316 430 V HA -0.063 4.057 4.120 -0.000 0.000 0.159 430 V C 1.179 177.282 176.094 0.015 0.000 1.431 430 V CA 0.103 62.415 62.300 0.020 0.000 0.931 430 V CB -0.264 31.569 31.823 0.016 0.000 1.008 430 V HN 0.422 nan 8.190 nan 0.000 0.601 431 K N 1.423 121.828 120.400 0.008 0.000 2.519 431 K HA 0.005 4.324 4.320 -0.000 0.000 0.196 431 K C 0.111 176.716 176.600 0.009 0.000 1.041 431 K CA 1.802 58.092 56.287 0.005 0.000 0.954 431 K CB -0.470 32.030 32.500 -0.000 0.000 0.774 431 K HN 0.667 nan 8.250 nan 0.000 0.480 432 D N 0.006 120.413 120.400 0.012 0.000 3.123 432 D HA 0.261 4.900 4.640 -0.000 0.000 0.305 432 D C -0.956 175.355 176.300 0.019 0.000 1.373 432 D CA -0.022 53.987 54.000 0.015 0.000 0.889 432 D CB 0.233 41.041 40.800 0.014 0.000 1.070 432 D HN 0.030 nan 8.370 nan 0.000 0.494 433 L N -0.264 120.972 121.223 0.022 0.000 2.434 433 L HA 0.497 4.837 4.340 -0.000 0.000 0.260 433 L C -0.483 176.404 176.870 0.029 0.000 0.983 433 L CA -0.820 54.036 54.840 0.027 0.000 0.820 433 L CB 2.414 44.493 42.059 0.033 0.000 1.361 433 L HN -0.119 nan 8.230 nan 0.000 0.410 434 S N 0.517 116.235 115.700 0.031 0.000 2.456 434 S HA 0.634 5.104 4.470 -0.000 0.000 0.316 434 S C 0.501 175.124 174.600 0.039 0.000 1.089 434 S CA 0.373 58.594 58.200 0.034 0.000 1.101 434 S CB 1.162 64.380 63.200 0.030 0.000 0.995 434 S HN 1.033 nan 8.310 nan 0.000 0.468 435 G N 2.944 111.772 108.800 0.047 0.000 2.160 435 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.244 435 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.244 435 G C 0.011 174.956 174.900 0.074 0.000 1.022 435 G CA 0.057 45.194 45.100 0.063 0.000 0.741 435 G HN 1.035 nan 8.290 nan 0.000 0.508 436 V N -0.516 119.438 119.914 0.066 0.000 2.811 436 V HA 0.423 4.543 4.120 -0.000 0.000 0.302 436 V C 0.747 176.897 176.094 0.093 0.000 1.063 436 V CA 0.200 62.550 62.300 0.083 0.000 1.088 436 V CB 1.434 33.300 31.823 0.072 0.000 0.982 436 V HN 0.337 nan 8.190 nan 0.000 0.485 437 K N 4.361 124.843 120.400 0.135 0.000 2.464 437 K HA 0.534 4.854 4.320 -0.000 0.000 0.252 437 K C -0.880 175.781 176.600 0.102 0.000 1.000 437 K CA -0.167 56.190 56.287 0.117 0.000 0.951 437 K CB 1.143 33.763 32.500 0.199 0.000 1.183 437 K HN 0.533 nan 8.250 nan 0.000 0.445 438 I N 3.942 124.527 120.570 0.026 0.000 2.379 438 I HA 0.169 4.339 4.170 -0.000 0.000 0.290 438 I C -0.478 175.641 176.117 0.004 0.000 1.063 438 I CA -0.314 61.038 61.300 0.088 0.000 1.351 438 I CB 0.235 38.274 38.000 0.065 0.000 1.410 438 I HN 0.351 nan 8.210 nan 0.000 0.505 439 F N 4.950 125.030 119.950 0.216 0.000 2.332 439 F HA 0.263 4.790 4.527 -0.000 0.000 0.368 439 F C 1.111 177.037 175.800 0.209 0.000 1.110 439 F CA -0.600 57.531 58.000 0.219 0.000 1.087 439 F CB 1.315 40.405 39.000 0.151 0.000 1.235 439 F HN 0.474 nan 8.300 nan 0.000 0.470 440 T N -1.715 113.052 114.554 0.354 0.000 2.924 440 T HA 0.204 4.554 4.350 -0.000 0.000 0.301 440 T C 0.880 175.801 174.700 0.368 0.000 1.120 440 T CA -0.106 62.219 62.100 0.374 0.000 0.940 440 T CB 1.394 70.560 68.868 0.496 0.000 1.591 440 T HN 0.417 nan 8.240 nan 0.000 0.578 441 T N -0.964 113.858 114.554 0.447 0.000 3.003 441 T HA 0.295 4.645 4.350 -0.000 0.000 0.261 441 T C 0.018 174.872 174.700 0.258 0.000 1.003 441 T CA -0.776 61.524 62.100 0.333 0.000 0.917 441 T CB -0.755 68.308 68.868 0.326 0.000 1.084 441 T HN 0.457 nan 8.240 nan 0.000 0.522 442 F N 3.246 123.204 119.950 0.013 0.000 2.629 442 F HA 0.233 4.760 4.527 -0.000 0.000 0.377 442 F C 0.284 175.965 175.800 -0.198 0.000 1.101 442 F CA 0.034 57.755 58.000 -0.466 0.000 1.301 442 F CB 0.496 39.037 39.000 -0.765 0.000 1.062 442 F HN 0.034 nan 8.300 nan 0.000 0.583 443 D N 4.654 124.622 120.400 -0.719 0.000 2.453 443 D HA 0.164 4.804 4.640 -0.000 0.000 0.238 443 D C 0.488 176.489 176.300 -0.498 0.000 1.088 443 D CA -0.258 53.517 54.000 -0.375 0.000 0.854 443 D CB 1.830 42.492 40.800 -0.230 0.000 1.076 443 D HN 0.596 nan 8.370 nan 0.000 0.533 444 S N 2.020 117.686 115.700 -0.056 0.000 2.365 444 S HA -0.135 4.335 4.470 -0.000 0.000 0.225 444 S C 1.985 176.573 174.600 -0.020 0.000 1.039 444 S CA 1.214 59.479 58.200 0.107 0.000 1.033 444 S CB 0.117 63.419 63.200 0.170 0.000 0.887 444 S HN 0.529 nan 8.310 nan 0.000 0.447 445 V N 1.565 121.451 119.914 -0.046 0.000 2.427 445 V HA -0.143 3.976 4.120 -0.000 0.000 0.248 445 V C 2.536 178.575 176.094 -0.092 0.000 1.051 445 V CA 1.571 63.837 62.300 -0.057 0.000 1.048 445 V CB -1.182 30.607 31.823 -0.056 0.000 0.666 445 V HN 0.533 nan 8.190 nan 0.000 0.456 446 A N -0.926 121.824 122.820 -0.116 0.000 1.858 446 A HA -0.239 4.080 4.320 -0.000 0.000 0.216 446 A C 2.219 179.779 177.584 -0.040 0.000 1.190 446 A CA 1.574 53.573 52.037 -0.063 0.000 0.617 446 A CB -0.561 18.405 19.000 -0.056 0.000 0.827 446 A HN 0.456 nan 8.150 nan 0.000 0.443 447 Q N -0.046 119.637 119.800 -0.194 0.000 2.152 447 Q HA -0.210 4.130 4.340 -0.000 0.000 0.206 447 Q C 1.506 177.510 176.000 0.008 0.000 0.985 447 Q CA 1.953 57.682 55.803 -0.122 0.000 0.863 447 Q CB -0.410 28.222 28.738 -0.177 0.000 0.904 447 Q HN 0.650 nan 8.270 nan 0.000 0.422 448 D N -0.241 120.158 120.400 -0.001 0.000 2.091 448 D HA -0.056 4.584 4.640 -0.000 0.000 0.199 448 D C 1.741 178.045 176.300 0.005 0.000 0.980 448 D CA 1.382 55.390 54.000 0.014 0.000 0.831 448 D CB -0.317 40.486 40.800 0.006 0.000 0.987 448 D HN 0.221 nan 8.370 nan 0.000 0.460 449 A N 1.092 123.889 122.820 -0.040 0.000 1.917 449 A HA -0.169 4.150 4.320 -0.000 0.000 0.219 449 A C 2.256 179.883 177.584 0.073 0.000 1.182 449 A CA 2.721 54.700 52.037 -0.097 0.000 0.633 449 A CB -0.778 17.999 19.000 -0.371 0.000 0.819 449 A HN 0.264 nan 8.150 nan 0.000 0.448 450 A N -0.668 122.288 122.820 0.227 0.000 1.843 450 A HA -0.084 4.236 4.320 -0.000 0.000 0.213 450 A C 1.909 179.575 177.584 0.136 0.000 1.202 450 A CA 1.390 53.609 52.037 0.303 0.000 0.607 450 A CB -0.622 18.525 19.000 0.246 0.000 0.847 450 A HN 0.577 nan 8.150 nan 0.000 0.445 451 E N -0.312 119.944 120.200 0.092 0.000 2.097 451 E HA -0.264 4.086 4.350 -0.000 0.000 0.196 451 E C 2.085 178.713 176.600 0.047 0.000 1.000 451 E CA 1.596 58.035 56.400 0.065 0.000 0.804 451 E CB -0.154 29.583 29.700 0.061 0.000 0.740 451 E HN 0.626 nan 8.360 nan 0.000 0.454 452 K N 0.568 120.992 120.400 0.041 0.000 2.097 452 K HA -0.121 4.199 4.320 -0.000 0.000 0.205 452 K C 2.132 178.747 176.600 0.025 0.000 1.050 452 K CA 1.054 57.354 56.287 0.021 0.000 0.938 452 K CB -0.069 32.434 32.500 0.005 0.000 0.718 452 K HN 0.077 nan 8.250 nan 0.000 0.442 453 A N 1.104 123.957 122.820 0.055 0.000 1.902 453 A HA -0.098 4.221 4.320 -0.000 0.000 0.217 453 A C 2.252 179.857 177.584 0.035 0.000 1.181 453 A CA 1.838 53.911 52.037 0.061 0.000 0.623 453 A CB -0.683 18.401 19.000 0.139 0.000 0.818 453 A HN 0.492 nan 8.150 nan 0.000 0.443 454 A N -0.028 122.814 122.820 0.038 0.000 1.821 454 A HA 0.036 4.356 4.320 -0.000 0.000 0.215 454 A C 2.340 179.923 177.584 -0.001 0.000 1.214 454 A CA 2.417 54.464 52.037 0.016 0.000 0.608 454 A CB -1.519 17.498 19.000 0.029 0.000 0.862 454 A HN 1.227 nan 8.150 nan 0.000 0.448 455 V N -1.376 118.538 119.914 0.001 0.000 2.439 455 V HA -0.323 3.797 4.120 -0.000 0.000 0.253 455 V C 1.804 177.883 176.094 -0.026 0.000 1.074 455 V CA 2.894 65.184 62.300 -0.017 0.000 1.076 455 V CB -0.954 30.858 31.823 -0.017 0.000 0.664 455 V HN 0.646 nan 8.190 nan 0.000 0.461 456 E N 0.728 120.917 120.200 -0.019 0.000 2.102 456 E HA 0.120 4.470 4.350 -0.000 0.000 0.190 456 E C 2.358 178.940 176.600 -0.030 0.000 0.971 456 E CA 0.782 57.167 56.400 -0.025 0.000 0.821 456 E CB -0.497 29.191 29.700 -0.019 0.000 0.777 456 E HN 0.676 nan 8.360 nan 0.000 0.460 457 G N 2.181 110.966 108.800 -0.025 0.000 2.459 457 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.217 457 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.217 457 G C 1.679 176.549 174.900 -0.050 0.000 1.183 457 G CA 1.064 46.143 45.100 -0.034 0.000 0.776 457 G HN 0.341 nan 8.290 nan 0.000 0.552 458 I N 0.825 121.364 120.570 -0.052 0.000 2.286 458 I HA 0.019 4.189 4.170 -0.000 0.000 0.245 458 I C -0.332 175.748 176.117 -0.062 0.000 1.104 458 I CA 0.769 62.029 61.300 -0.066 0.000 1.397 458 I CB -0.539 37.421 38.000 -0.067 0.000 1.072 458 I HN 0.077 nan 8.210 nan 0.000 0.417 459 P HA -0.128 nan 4.420 nan 0.000 0.215 459 P C 1.734 179.002 177.300 -0.053 0.000 1.157 459 P CA 2.304 65.373 63.100 -0.051 0.000 0.868 459 P CB -0.178 31.493 31.700 -0.048 0.000 0.788 460 A N -0.969 121.820 122.820 -0.052 0.000 1.978 460 A HA -0.188 4.132 4.320 -0.000 0.000 0.220 460 A C 2.097 179.641 177.584 -0.067 0.000 1.170 460 A CA 1.397 53.401 52.037 -0.055 0.000 0.636 460 A CB -1.546 17.424 19.000 -0.052 0.000 0.810 460 A HN 0.112 nan 8.150 nan 0.000 0.448 461 L N -0.161 121.019 121.223 -0.073 0.000 2.068 461 L HA -0.026 4.313 4.340 -0.000 0.000 0.204 461 L C 2.210 179.028 176.870 -0.086 0.000 1.076 461 L CA 1.907 56.693 54.840 -0.089 0.000 0.753 461 L CB -0.740 41.261 42.059 -0.096 0.000 0.910 461 L HN 0.342 nan 8.230 nan 0.000 0.439 462 K N -0.500 119.856 120.400 -0.073 0.000 2.103 462 K HA -0.238 4.081 4.320 -0.000 0.000 0.207 462 K C 2.092 178.658 176.600 -0.057 0.000 1.048 462 K CA 1.419 57.669 56.287 -0.062 0.000 0.930 462 K CB -0.125 32.344 32.500 -0.052 0.000 0.716 462 K HN 0.181 nan 8.250 nan 0.000 0.444 463 K N 1.495 121.861 120.400 -0.057 0.000 1.991 463 K HA -0.209 4.111 4.320 -0.000 0.000 0.212 463 K C 2.278 178.844 176.600 -0.057 0.000 1.049 463 K CA 2.000 58.256 56.287 -0.051 0.000 0.932 463 K CB -0.141 32.330 32.500 -0.048 0.000 0.717 463 K HN 0.282 nan 8.250 nan 0.000 0.441 464 Q N -0.190 119.565 119.800 -0.074 0.000 2.124 464 Q HA -0.100 4.240 4.340 -0.000 0.000 0.202 464 Q C 1.322 177.269 176.000 -0.089 0.000 0.977 464 Q CA 1.056 56.806 55.803 -0.089 0.000 0.850 464 Q CB -0.094 28.571 28.738 -0.123 0.000 0.901 464 Q HN 0.065 nan 8.270 nan 0.000 0.429 465 R N 0.130 120.576 120.500 -0.090 0.000 2.393 465 R HA 0.190 4.530 4.340 -0.000 0.000 0.244 465 R C 0.174 176.454 176.300 -0.033 0.000 0.920 465 R CA 0.008 56.070 56.100 -0.064 0.000 1.076 465 R CB 0.363 30.618 30.300 -0.075 0.000 1.119 465 R HN 0.167 nan 8.270 nan 0.000 0.524 466 K N 0.127 120.506 120.400 -0.036 0.000 5.342 466 K HA -0.261 4.059 4.320 -0.000 0.000 0.263 466 K C 0.325 176.908 176.600 -0.028 0.000 0.748 466 K CA 1.574 57.845 56.287 -0.026 0.000 0.857 466 K CB -1.590 30.901 32.500 -0.014 0.000 0.775 466 K HN 0.279 nan 8.250 nan 0.000 0.820 467 L N 0.521 121.732 121.223 -0.019 0.000 2.912 467 L HA -0.201 4.139 4.340 -0.000 0.000 0.582 467 L C 1.282 178.140 176.870 -0.020 0.000 1.001 467 L CA 0.610 55.438 54.840 -0.020 0.000 1.305 467 L CB -1.298 40.742 42.059 -0.032 0.000 1.620 467 L HN 0.778 nan 8.230 nan 0.000 0.785 468 S N -0.231 115.461 115.700 -0.013 0.000 2.507 468 S HA -0.014 4.456 4.470 -0.000 0.000 0.235 468 S C 0.458 175.051 174.600 -0.012 0.000 0.988 468 S CA 1.009 59.202 58.200 -0.011 0.000 0.944 468 S CB -0.078 63.119 63.200 -0.005 0.000 0.762 468 S HN 0.853 nan 8.310 nan 0.000 0.526 469 D N -1.105 119.287 120.400 -0.014 0.000 2.653 469 D HA 0.609 5.249 4.640 -0.000 0.000 0.258 469 D C -1.300 174.984 176.300 -0.026 0.000 1.252 469 D CA -0.707 53.285 54.000 -0.013 0.000 0.777 469 D CB 1.179 41.981 40.800 0.003 0.000 1.339 469 D HN 0.175 nan 8.370 nan 0.000 0.422 470 L N -0.652 120.554 121.223 -0.029 0.000 2.947 470 L HA 0.573 4.913 4.340 -0.000 0.000 0.267 470 L C -1.827 175.011 176.870 -0.052 0.000 1.004 470 L CA -0.190 54.611 54.840 -0.065 0.000 0.937 470 L CB 1.955 43.958 42.059 -0.093 0.000 1.496 470 L HN 0.578 nan 8.230 nan 0.000 0.409 471 E N 0.337 120.471 120.200 -0.110 0.000 2.430 471 E HA 0.710 5.060 4.350 -0.000 0.000 0.279 471 E C -1.710 174.783 176.600 -0.179 0.000 1.003 471 E CA -0.426 55.950 56.400 -0.039 0.000 0.801 471 E CB 2.470 32.257 29.700 0.144 0.000 1.313 471 E HN 0.621 nan 8.360 nan 0.000 0.459 472 T N -0.761 113.808 114.554 0.025 0.000 2.821 472 T HA 0.827 5.177 4.350 -0.000 0.000 0.306 472 T C -1.859 173.001 174.700 0.267 0.000 1.313 472 T CA -0.138 61.982 62.100 0.033 0.000 1.012 472 T CB 1.401 70.232 68.868 -0.061 0.000 1.298 472 T HN 0.507 nan 8.240 nan 0.000 0.502 473 A N 2.620 125.623 122.820 0.306 0.000 2.488 473 A HA 0.826 5.146 4.320 -0.000 0.000 0.298 473 A C -1.393 176.261 177.584 0.118 0.000 1.044 473 A CA -0.640 51.507 52.037 0.182 0.000 0.693 473 A CB 1.040 20.120 19.000 0.132 0.000 1.272 473 A HN 0.794 nan 8.150 nan 0.000 0.402 474 I N 1.591 122.198 120.570 0.061 0.000 2.608 474 I HA 0.640 4.810 4.170 -0.000 0.000 0.295 474 I C -1.030 175.093 176.117 0.011 0.000 1.049 474 I CA -1.147 60.161 61.300 0.013 0.000 1.063 474 I CB 2.314 40.296 38.000 -0.029 0.000 1.248 474 I HN 0.328 nan 8.210 nan 0.000 0.424 475 V N 5.836 125.742 119.914 -0.014 0.000 2.612 475 V HA 0.378 4.498 4.120 -0.000 0.000 0.301 475 V C -0.541 175.533 176.094 -0.034 0.000 1.059 475 V CA -0.632 61.672 62.300 0.007 0.000 0.886 475 V CB 2.299 34.148 31.823 0.044 0.000 1.007 475 V HN 0.419 nan 8.190 nan 0.000 0.426 476 V N 5.572 125.477 119.914 -0.014 0.000 2.378 476 V HA 0.705 4.825 4.120 -0.000 0.000 0.288 476 V C -0.067 176.053 176.094 0.043 0.000 1.016 476 V CA -0.602 61.695 62.300 -0.005 0.000 0.840 476 V CB 1.661 33.496 31.823 0.020 0.000 0.994 476 V HN 0.771 nan 8.190 nan 0.000 0.431 477 V N 0.729 120.671 119.914 0.047 0.000 3.046 477 V HA 0.657 4.777 4.120 -0.000 0.000 0.316 477 V C -0.322 175.809 176.094 0.061 0.000 1.104 477 V CA -0.795 61.545 62.300 0.066 0.000 1.006 477 V CB 2.181 34.045 31.823 0.067 0.000 1.058 477 V HN 0.781 nan 8.190 nan 0.000 0.440 478 D N 1.662 122.107 120.400 0.075 0.000 2.343 478 D HA 0.126 4.766 4.640 -0.000 0.000 0.255 478 D C 1.214 177.540 176.300 0.044 0.000 1.187 478 D CA 0.041 54.090 54.000 0.082 0.000 0.875 478 D CB 1.332 42.200 40.800 0.114 0.000 1.136 478 D HN 0.787 nan 8.370 nan 0.000 0.469 479 R N 3.118 123.609 120.500 -0.014 0.000 2.134 479 R HA -0.239 4.101 4.340 -0.000 0.000 0.248 479 R C 1.044 177.148 176.300 -0.327 0.000 1.143 479 R CA 1.917 57.885 56.100 -0.219 0.000 0.957 479 R CB -0.093 29.980 30.300 -0.377 0.000 0.867 479 R HN 0.477 nan 8.270 nan 0.000 0.441 480 F N -1.030 118.950 119.950 0.051 0.000 2.500 480 F HA 0.090 4.617 4.527 -0.000 0.000 0.285 480 F C 2.611 178.437 175.800 0.044 0.000 1.088 480 F CA 0.729 58.755 58.000 0.043 0.000 1.432 480 F CB 0.018 39.040 39.000 0.036 0.000 1.131 480 F HN 0.106 nan 8.300 nan 0.000 0.582 481 S N -0.812 115.022 115.700 0.223 0.000 2.486 481 S HA 0.311 4.781 4.470 -0.000 0.000 0.220 481 S C 1.875 176.545 174.600 0.116 0.000 1.011 481 S CA 0.521 58.812 58.200 0.152 0.000 0.921 481 S CB -0.067 63.212 63.200 0.131 0.000 0.785 481 S HN 0.541 nan 8.310 nan 0.000 0.517 482 G N 1.337 110.198 108.800 0.101 0.000 2.148 482 G HA2 -0.261 3.698 3.960 -0.000 0.000 0.254 482 G HA3 -0.261 3.698 3.960 -0.000 0.000 0.254 482 G C -0.319 174.639 174.900 0.097 0.000 0.981 482 G CA 0.219 45.370 45.100 0.085 0.000 0.670 482 G HN 0.654 nan 8.290 nan 0.000 0.528 483 E N 0.102 120.368 120.200 0.110 0.000 2.324 483 E HA 0.372 4.722 4.350 -0.000 0.000 0.271 483 E C 0.435 177.121 176.600 0.144 0.000 1.028 483 E CA -0.504 55.975 56.400 0.131 0.000 0.890 483 E CB 1.672 31.450 29.700 0.131 0.000 1.004 483 E HN 0.110 nan 8.360 nan 0.000 0.431 484 V N 5.602 125.630 119.914 0.191 0.000 2.415 484 V HA -0.020 4.100 4.120 -0.000 0.000 0.267 484 V C 1.258 177.504 176.094 0.253 0.000 1.042 484 V CA -0.072 62.366 62.300 0.230 0.000 1.000 484 V CB 0.474 32.470 31.823 0.288 0.000 1.015 484 V HN 0.612 nan 8.190 nan 0.000 0.478 485 R N 3.476 124.035 120.500 0.099 0.000 2.057 485 R HA 0.363 4.703 4.340 -0.000 0.000 0.224 485 R C 0.654 176.796 176.300 -0.263 0.000 1.136 485 R CA 1.260 57.326 56.100 -0.056 0.000 0.968 485 R CB -0.308 29.978 30.300 -0.024 0.000 0.863 485 R HN 0.745 nan 8.270 nan 0.000 0.433 489 G N 0.935 109.764 108.800 0.048 0.000 3.969 489 G HA2 0.686 4.646 3.960 -0.000 0.000 0.291 489 G HA3 0.686 4.646 3.960 -0.000 0.000 0.291 489 G C 0.178 175.090 174.900 0.020 0.000 1.016 489 G CA 0.366 45.467 45.100 0.001 0.000 0.819 489 G HN 1.510 nan 8.290 nan 0.000 0.493 490 G N -0.948 107.895 108.800 0.072 0.000 2.404 490 G HA2 0.371 4.331 3.960 -0.000 0.000 0.298 490 G HA3 0.371 4.331 3.960 -0.000 0.000 0.298 490 G C 0.470 175.422 174.900 0.086 0.000 1.577 490 G CA 0.557 45.718 45.100 0.101 0.000 0.847 490 G HN 0.343 nan 8.290 nan 0.000 0.598 491 S N -0.663 115.083 115.700 0.078 0.000 2.400 491 S HA -0.072 4.398 4.470 -0.000 0.000 0.232 491 S C 0.744 175.358 174.600 0.024 0.000 1.025 491 S CA 1.954 60.175 58.200 0.035 0.000 0.993 491 S CB -0.068 63.141 63.200 0.016 0.000 0.808 491 S HN 0.469 nan 8.310 nan 0.000 0.478 492 E N 0.603 120.834 120.200 0.051 0.000 2.255 492 E HA 0.326 4.675 4.350 -0.000 0.000 0.245 492 E C -2.222 174.457 176.600 0.132 0.000 0.909 492 E CA -2.307 54.118 56.400 0.042 0.000 0.747 492 E CB 1.793 31.451 29.700 -0.071 0.000 1.215 492 E HN 0.227 nan 8.360 nan 0.000 0.424 493 P HA -0.053 nan 4.420 nan 0.000 0.214 493 P C -0.007 177.370 177.300 0.128 0.000 1.162 493 P CA 0.820 63.987 63.100 0.111 0.000 0.871 493 P CB 0.333 32.087 31.700 0.089 0.000 0.783 494 Q N -1.019 118.852 119.800 0.119 0.000 3.004 494 Q HA 0.232 4.572 4.340 -0.000 0.000 0.256 494 Q C -0.445 175.696 176.000 0.234 0.000 1.387 494 Q CA 0.113 55.986 55.803 0.117 0.000 0.962 494 Q CB -0.753 28.025 28.738 0.067 0.000 1.676 494 Q HN 0.209 nan 8.270 nan 0.000 0.568 495 F N -0.910 119.041 119.950 0.002 0.000 3.519 495 F HA 0.142 4.669 4.527 -0.000 0.000 0.354 495 F C -0.611 175.201 175.800 0.020 0.000 1.154 495 F CA -0.229 57.773 58.000 0.004 0.000 0.636 495 F CB -0.371 38.632 39.000 0.005 0.000 1.957 495 F HN 0.260 nan 8.300 nan 0.000 0.432 496 A N 0.673 123.543 122.820 0.083 0.000 2.440 496 A HA 0.584 4.904 4.320 -0.000 0.000 0.251 496 A C 1.230 178.810 177.584 -0.007 0.000 1.089 496 A CA 0.792 52.867 52.037 0.064 0.000 0.779 496 A CB 0.317 19.358 19.000 0.068 0.000 1.022 496 A HN 0.733 nan 8.150 nan 0.000 0.492 497 G N 0.099 108.918 108.800 0.032 0.000 2.775 497 G HA2 0.281 4.241 3.960 -0.000 0.000 0.198 497 G HA3 0.281 4.241 3.960 -0.000 0.000 0.198 497 G C -0.029 174.945 174.900 0.123 0.000 1.121 497 G CA 0.173 45.292 45.100 0.032 0.000 0.686 497 G HN 0.639 nan 8.290 nan 0.000 0.782 498 Y N 1.597 121.901 120.300 0.006 0.000 2.361 498 Y HA 0.589 5.139 4.550 -0.000 0.000 0.332 498 Y C -0.527 175.386 175.900 0.022 0.000 1.101 498 Y CA -2.076 56.031 58.100 0.011 0.000 1.137 498 Y CB 1.242 39.713 38.460 0.018 0.000 1.207 498 Y HN 0.102 nan 8.280 nan 0.000 0.463 499 N N 5.524 123.945 118.700 -0.466 0.000 2.776 499 N HA 0.231 4.970 4.740 -0.000 0.000 0.245 499 N C 0.079 175.261 175.510 -0.546 0.000 1.121 499 N CA -0.427 52.402 53.050 -0.368 0.000 0.852 499 N CB 0.438 38.826 38.487 -0.165 0.000 1.142 499 N HN 0.764 nan 8.380 nan 0.000 0.514 500 R N 0.943 121.119 120.500 -0.541 0.000 2.341 500 R HA -0.002 4.338 4.340 -0.000 0.000 0.213 500 R C 0.982 177.105 176.300 -0.295 0.000 1.082 500 R CA 0.416 56.230 56.100 -0.478 0.000 1.017 500 R CB -0.012 30.125 30.300 -0.272 0.000 0.860 500 R HN 0.363 nan 8.270 nan 0.000 0.473 504 A N 1.479 124.189 122.820 -0.184 0.000 2.431 504 A HA 0.651 4.970 4.320 -0.000 0.000 0.318 504 A C -0.773 176.691 177.584 -0.201 0.000 1.330 504 A CA -0.543 51.397 52.037 -0.162 0.000 0.804 504 A CB 0.739 19.550 19.000 -0.314 0.000 1.135 504 A HN 0.275 nan 8.150 nan 0.000 0.483 505 R N 1.942 122.385 120.500 -0.096 0.000 2.390 505 R HA 0.549 4.889 4.340 -0.000 0.000 0.291 505 R C -0.438 175.830 176.300 -0.053 0.000 1.070 505 R CA -0.122 55.937 56.100 -0.068 0.000 1.014 505 R CB 0.505 30.786 30.300 -0.032 0.000 1.007 505 R HN 0.747 nan 8.270 nan 0.000 0.466 506 R N 1.721 122.224 120.500 0.005 0.000 2.739 506 R HA 0.239 4.578 4.340 -0.000 0.000 0.271 506 R C -0.980 175.435 176.300 0.192 0.000 1.010 506 R CA -0.964 55.202 56.100 0.110 0.000 0.897 506 R CB 1.769 32.133 30.300 0.106 0.000 1.236 506 R HN 0.591 nan 8.270 nan 0.000 0.466 507 S N 1.878 117.707 115.700 0.215 0.000 2.525 507 S HA 0.064 4.534 4.470 -0.000 0.000 0.285 507 S C 1.635 176.375 174.600 0.233 0.000 1.283 507 S CA -0.351 57.948 58.200 0.164 0.000 1.072 507 S CB -0.027 63.268 63.200 0.158 0.000 0.867 507 S HN 0.636 nan 8.310 nan 0.000 0.492 508 I N 1.070 121.612 120.570 -0.046 0.000 3.564 508 I HA 0.264 4.433 4.170 -0.000 0.000 0.294 508 I C 1.108 177.102 176.117 -0.205 0.000 1.289 508 I CA 0.190 61.263 61.300 -0.379 0.000 1.325 508 I CB -1.148 36.546 38.000 -0.509 0.000 1.039 508 I HN 0.742 nan 8.210 nan 0.000 0.474 509 G N 2.586 111.397 108.800 0.019 0.000 2.602 509 G HA2 -0.451 3.509 3.960 -0.000 0.000 0.306 509 G HA3 -0.451 3.509 3.960 -0.000 0.000 0.306 509 G C 0.881 175.820 174.900 0.065 0.000 1.301 509 G CA 1.338 46.492 45.100 0.090 0.000 0.974 509 G HN 0.723 nan 8.290 nan 0.000 0.547 510 S N -0.762 114.996 115.700 0.096 0.000 2.469 510 S HA -0.018 4.451 4.470 -0.000 0.000 0.238 510 S C 2.276 176.933 174.600 0.095 0.000 0.998 510 S CA 1.730 59.991 58.200 0.102 0.000 0.957 510 S CB -0.097 63.161 63.200 0.098 0.000 0.764 510 S HN 1.053 nan 8.310 nan 0.000 0.514 511 L N 1.620 122.867 121.223 0.040 0.000 2.450 511 L HA 0.065 4.405 4.340 -0.000 0.000 0.225 511 L C 2.416 179.414 176.870 0.213 0.000 1.145 511 L CA 0.874 55.748 54.840 0.057 0.000 0.801 511 L CB -1.245 40.709 42.059 -0.175 0.000 0.924 511 L HN 0.465 nan 8.230 nan 0.000 0.447 512 A N -1.684 121.254 122.820 0.196 0.000 2.072 512 A HA -0.091 4.229 4.320 -0.000 0.000 0.216 512 A C 2.217 180.007 177.584 0.344 0.000 1.156 512 A CA 0.584 52.852 52.037 0.385 0.000 0.701 512 A CB -0.272 18.890 19.000 0.271 0.000 0.816 512 A HN 0.357 nan 8.150 nan 0.000 0.458 513 K N -0.214 120.332 120.400 0.243 0.000 2.113 513 K HA -0.155 4.165 4.320 -0.000 0.000 0.208 513 K C -0.852 175.923 176.600 0.291 0.000 1.047 513 K CA 1.776 58.225 56.287 0.270 0.000 0.928 513 K CB -1.127 31.532 32.500 0.265 0.000 0.716 513 K HN 0.378 nan 8.250 nan 0.000 0.446 514 P HA -0.093 nan 4.420 nan 0.000 0.219 514 P C 1.113 178.343 177.300 -0.116 0.000 1.150 514 P CA 1.294 64.428 63.100 0.056 0.000 0.814 514 P CB -0.009 31.663 31.700 -0.047 0.000 0.787 515 A N -0.740 121.866 122.820 -0.355 0.000 1.948 515 A HA -0.216 4.104 4.320 -0.000 0.000 0.220 515 A C 2.190 179.520 177.584 -0.424 0.000 1.177 515 A CA 2.470 54.074 52.037 -0.722 0.000 0.636 515 A CB -1.901 16.066 19.000 -1.722 0.000 0.815 515 A HN 0.166 nan 8.150 nan 0.000 0.449 516 T N -1.292 113.126 114.554 -0.226 0.000 2.668 516 T HA -0.115 4.235 4.350 -0.000 0.000 0.262 516 T C 1.744 176.261 174.700 -0.304 0.000 1.045 516 T CA 1.725 63.669 62.100 -0.260 0.000 1.152 516 T CB -0.491 68.202 68.868 -0.292 0.000 0.864 516 T HN 0.561 nan 8.240 nan 0.000 0.419 517 Y N 1.054 121.277 120.300 -0.129 0.000 2.165 517 Y HA -0.077 4.473 4.550 -0.000 0.000 0.286 517 Y C 2.287 178.121 175.900 -0.109 0.000 1.155 517 Y CA 0.637 58.676 58.100 -0.100 0.000 1.164 517 Y CB -0.662 37.770 38.460 -0.047 0.000 0.978 517 Y HN 0.093 nan 8.280 nan 0.000 0.513 518 L N -0.388 120.834 121.223 -0.002 0.000 2.042 518 L HA -0.204 4.136 4.340 -0.000 0.000 0.210 518 L C 2.166 178.981 176.870 -0.093 0.000 1.076 518 L CA 2.202 57.006 54.840 -0.060 0.000 0.749 518 L CB -1.007 40.963 42.059 -0.148 0.000 0.893 518 L HN 0.149 nan 8.230 nan 0.000 0.432 519 T N -0.315 114.137 114.554 -0.171 0.000 2.867 519 T HA -0.089 4.261 4.350 -0.000 0.000 0.268 519 T C 1.826 176.422 174.700 -0.174 0.000 1.057 519 T CA 1.129 63.126 62.100 -0.172 0.000 1.136 519 T CB -0.379 68.360 68.868 -0.214 0.000 0.874 519 T HN 0.543 nan 8.240 nan 0.000 0.466 520 A N 1.288 123.957 122.820 -0.252 0.000 1.843 520 A HA 0.184 4.504 4.320 -0.000 0.000 0.213 520 A C 2.179 179.725 177.584 -0.063 0.000 1.202 520 A CA 0.758 52.566 52.037 -0.381 0.000 0.607 520 A CB -0.842 17.745 19.000 -0.688 0.000 0.847 520 A HN 0.430 nan 8.150 nan 0.000 0.445 521 L N 0.968 122.212 121.223 0.035 0.000 2.447 521 L HA -0.119 4.221 4.340 -0.000 0.000 0.225 521 L C 1.358 178.378 176.870 0.249 0.000 1.148 521 L CA 0.869 55.808 54.840 0.166 0.000 0.808 521 L CB -0.267 41.898 42.059 0.178 0.000 0.928 521 L HN 0.285 nan 8.230 nan 0.000 0.448 522 S N -0.542 115.271 115.700 0.187 0.000 2.906 522 S HA 0.003 4.473 4.470 -0.000 0.000 0.234 522 S C 1.371 176.077 174.600 0.176 0.000 0.973 522 S CA -0.084 58.285 58.200 0.281 0.000 1.036 522 S CB -0.013 63.278 63.200 0.151 0.000 0.798 522 S HN 0.379 nan 8.310 nan 0.000 0.498 523 Q N 1.985 121.831 119.800 0.077 0.000 1.990 523 Q HA 0.070 4.410 4.340 -0.000 0.000 0.195 523 Q C -1.169 174.639 176.000 -0.321 0.000 0.977 523 Q CA 0.982 56.759 55.803 -0.043 0.000 0.828 523 Q CB -1.518 27.254 28.738 0.056 0.000 0.896 523 Q HN 0.422 nan 8.270 nan 0.000 0.447 524 P HA 0.330 nan 4.420 nan 0.000 0.235 524 P C -0.729 176.393 177.300 -0.297 0.000 1.870 524 P CA 0.030 62.917 63.100 -0.356 0.000 1.086 524 P CB 0.064 31.456 31.700 -0.514 0.000 1.797 525 K N 0.362 120.630 120.400 -0.219 0.000 2.455 525 K HA 0.270 4.590 4.320 -0.000 0.000 0.206 525 K C 0.787 177.318 176.600 -0.115 0.000 1.027 525 K CA -0.292 55.900 56.287 -0.159 0.000 1.113 525 K CB 0.835 33.241 32.500 -0.157 0.000 0.850 525 K HN 0.150 nan 8.250 nan 0.000 0.503 526 I N -0.757 119.750 120.570 -0.105 0.000 3.746 526 I HA 0.106 4.276 4.170 -0.000 0.000 0.262 526 I C 0.000 175.923 176.117 -0.324 0.000 1.153 526 I CA 0.368 61.551 61.300 -0.195 0.000 1.395 526 I CB -0.080 37.852 38.000 -0.114 0.000 1.589 526 I HN -0.072 nan 8.210 nan 0.000 0.441 527 Y N 2.978 123.266 120.300 -0.019 0.000 2.328 527 Y HA 0.579 5.129 4.550 -0.000 0.000 0.336 527 Y C 0.467 176.381 175.900 0.022 0.000 0.960 527 Y CA -0.586 57.517 58.100 0.005 0.000 1.134 527 Y CB 1.300 39.766 38.460 0.009 0.000 1.166 527 Y HN -0.043 nan 8.280 nan 0.000 0.464 528 R N 1.394 121.983 120.500 0.148 0.000 2.960 528 R HA 0.365 4.705 4.340 -0.000 0.000 0.249 528 R C 0.253 176.620 176.300 0.111 0.000 1.192 528 R CA -1.046 55.138 56.100 0.140 0.000 1.035 528 R CB 0.901 31.298 30.300 0.162 0.000 1.234 528 R HN 0.474 nan 8.270 nan 0.000 0.493 529 L N 2.048 123.328 121.223 0.094 0.000 2.191 529 L HA -0.128 4.211 4.340 -0.000 0.000 0.212 529 L C 1.460 178.300 176.870 -0.049 0.000 1.103 529 L CA 1.812 56.683 54.840 0.052 0.000 0.769 529 L CB -1.027 41.046 42.059 0.023 0.000 0.908 529 L HN 0.697 nan 8.230 nan 0.000 0.438 530 N N -2.123 116.501 118.700 -0.127 0.000 2.314 530 N HA -0.041 4.699 4.740 -0.000 0.000 0.200 530 N C 0.092 175.307 175.510 -0.492 0.000 1.135 530 N CA -0.019 52.808 53.050 -0.371 0.000 0.835 530 N CB -0.548 37.619 38.487 -0.534 0.000 0.989 530 N HN 0.053 nan 8.380 nan 0.000 0.478 531 T N 1.537 115.941 114.554 -0.250 0.000 2.814 531 T HA 0.095 4.445 4.350 -0.000 0.000 0.297 531 T C -0.381 174.218 174.700 -0.168 0.000 0.956 531 T CA -0.239 61.756 62.100 -0.176 0.000 1.123 531 T CB 0.258 69.129 68.868 0.004 0.000 0.902 531 T HN 0.194 nan 8.240 nan 0.000 0.528 532 W N 3.701 125.000 121.300 -0.001 0.000 2.266 532 W HA 0.478 5.137 4.660 -0.000 0.000 0.317 532 W C 0.152 176.697 176.519 0.044 0.000 1.310 532 W CA -0.667 56.683 57.345 0.009 0.000 1.207 532 W CB 0.301 29.746 29.460 -0.025 0.000 1.199 532 W HN 0.431 nan 8.180 nan 0.000 0.544 533 I N 3.285 124.071 120.570 0.361 0.000 2.509 533 I HA 0.396 4.565 4.170 -0.000 0.000 0.293 533 I C 0.360 176.607 176.117 0.215 0.000 1.020 533 I CA -1.086 60.362 61.300 0.248 0.000 1.088 533 I CB 1.484 39.612 38.000 0.212 0.000 1.267 533 I HN 0.464 nan 8.210 nan 0.000 0.430 534 A N 3.476 126.387 122.820 0.151 0.000 2.511 534 A HA 0.109 4.429 4.320 -0.000 0.000 0.242 534 A C -0.222 177.440 177.584 0.131 0.000 1.069 534 A CA 0.278 52.380 52.037 0.109 0.000 0.763 534 A CB -0.039 19.005 19.000 0.073 0.000 1.001 534 A HN 0.710 nan 8.150 nan 0.000 0.498 535 D N 0.916 121.397 120.400 0.136 0.000 2.483 535 D HA 0.560 5.200 4.640 -0.000 0.000 0.281 535 D C -0.398 176.070 176.300 0.279 0.000 1.174 535 D CA 0.567 54.688 54.000 0.201 0.000 0.938 535 D CB 0.385 41.297 40.800 0.187 0.000 1.002 535 D HN 0.753 nan 8.370 nan 0.000 0.501 536 A N 2.300 125.245 122.820 0.208 0.000 2.549 536 A HA 0.681 5.001 4.320 -0.000 0.000 0.297 536 A C -2.676 174.877 177.584 -0.051 0.000 1.061 536 A CA -1.626 50.379 52.037 -0.053 0.000 0.690 536 A CB 1.185 20.120 19.000 -0.108 0.000 1.287 536 A HN 0.184 nan 8.150 nan 0.000 0.402 537 P HA -0.003 nan 4.420 nan 0.000 0.252 537 P C -0.783 176.503 177.300 -0.023 0.000 1.136 537 P CA 1.139 64.138 63.100 -0.168 0.000 0.778 537 P CB -0.254 31.267 31.700 -0.297 0.000 0.722 538 I N 2.671 123.259 120.570 0.031 0.000 2.353 538 I HA 0.533 4.703 4.170 -0.000 0.000 0.293 538 I C 0.473 176.570 176.117 -0.034 0.000 0.992 538 I CA -0.399 60.894 61.300 -0.011 0.000 1.268 538 I CB 1.465 39.439 38.000 -0.045 0.000 1.387 538 I HN 0.240 nan 8.210 nan 0.000 0.478 539 A N 7.148 129.972 122.820 0.007 0.000 2.446 539 A HA 0.720 5.040 4.320 -0.000 0.000 0.282 539 A C -1.288 176.351 177.584 0.091 0.000 1.102 539 A CA -0.393 51.664 52.037 0.033 0.000 0.737 539 A CB 0.743 19.756 19.000 0.022 0.000 1.212 539 A HN 0.451 nan 8.150 nan 0.000 0.434 540 L N 2.637 123.964 121.223 0.173 0.000 2.317 540 L HA 0.521 4.861 4.340 -0.000 0.000 0.281 540 L C 1.022 177.993 176.870 0.169 0.000 1.024 540 L CA -0.458 54.505 54.840 0.205 0.000 0.810 540 L CB 1.527 43.793 42.059 0.344 0.000 1.240 540 L HN 0.791 nan 8.230 nan 0.000 0.427 541 R N 3.438 124.004 120.500 0.110 0.000 2.402 541 R HA 0.099 4.439 4.340 -0.000 0.000 0.331 541 R C -0.856 175.483 176.300 0.065 0.000 1.040 541 R CA -0.137 56.009 56.100 0.077 0.000 0.980 541 R CB -0.219 30.113 30.300 0.052 0.000 0.967 541 R HN 0.589 nan 8.270 nan 0.000 0.440 542 Q N 4.838 124.677 119.800 0.065 0.000 2.307 542 Q HA 0.164 4.504 4.340 -0.000 0.000 0.259 542 Q C -1.925 174.083 176.000 0.014 0.000 0.998 542 Q CA -1.876 53.943 55.803 0.028 0.000 0.923 542 Q CB 1.328 30.085 28.738 0.032 0.000 1.196 542 Q HN 0.479 nan 8.270 nan 0.000 0.416 543 P HA -0.083 nan 4.420 nan 0.000 0.290 543 P C -1.043 176.256 177.300 -0.002 0.000 1.584 543 P CA 0.561 63.661 63.100 -0.000 0.000 0.813 543 P CB -0.642 31.053 31.700 -0.008 0.000 1.775 544 N N -2.595 116.106 118.700 0.002 0.000 2.861 544 N HA 0.284 5.024 4.740 -0.000 0.000 0.203 544 N C 0.688 176.203 175.510 0.009 0.000 1.339 544 N CA -0.134 52.917 53.050 0.001 0.000 1.208 544 N CB -0.169 38.313 38.487 -0.007 0.000 1.579 544 N HN 0.042 nan 8.380 nan 0.000 0.583 545 G N 0.046 108.855 108.800 0.015 0.000 3.757 545 G HA2 -0.361 3.598 3.960 -0.000 0.000 0.215 545 G HA3 -0.361 3.598 3.960 -0.000 0.000 0.215 545 G C -0.007 174.911 174.900 0.030 0.000 1.411 545 G CA 0.160 45.272 45.100 0.020 0.000 0.896 545 G HN 0.429 nan 8.290 nan 0.000 0.581 546 Q N 0.292 120.113 119.800 0.036 0.000 2.584 546 Q HA 0.513 4.853 4.340 -0.000 0.000 0.218 546 Q C 0.047 176.093 176.000 0.077 0.000 1.079 546 Q CA 0.405 56.242 55.803 0.057 0.000 1.008 546 Q CB 1.511 30.288 28.738 0.064 0.000 1.267 546 Q HN 1.073 nan 8.270 nan 0.000 0.586 547 V N 1.656 121.633 119.914 0.106 0.000 2.488 547 V HA 0.226 4.346 4.120 -0.000 0.000 0.293 547 V C -1.711 174.507 176.094 0.206 0.000 1.027 547 V CA -0.710 61.670 62.300 0.134 0.000 0.862 547 V CB 1.092 32.968 31.823 0.089 0.000 1.008 547 V HN 0.752 nan 8.190 nan 0.000 0.428 548 W N 5.127 126.440 121.300 0.021 0.000 2.469 548 W HA 0.455 5.115 4.660 -0.000 0.000 0.321 548 W C 0.696 177.235 176.519 0.034 0.000 1.415 548 W CA 0.182 57.542 57.345 0.026 0.000 1.308 548 W CB 1.339 30.814 29.460 0.025 0.000 1.368 548 W HN 0.617 nan 8.180 nan 0.000 0.546 549 S N 8.496 124.080 115.700 -0.194 0.000 2.078 549 S HA 0.293 4.763 4.470 -0.000 0.000 0.168 549 S C -2.003 172.346 174.600 -0.419 0.000 1.542 549 S CA -1.280 56.776 58.200 -0.240 0.000 1.223 549 S CB -0.296 62.858 63.200 -0.078 0.000 1.152 549 S HN 0.308 nan 8.310 nan 0.000 0.452 550 P HA 0.138 nan 4.420 nan 0.000 0.271 550 P C -0.451 176.656 177.300 -0.321 0.000 1.233 550 P CA -0.015 62.654 63.100 -0.719 0.000 0.795 550 P CB 0.529 31.621 31.700 -1.012 0.000 0.936 551 Q N -0.119 119.545 119.800 -0.227 0.000 2.575 551 Q HA 0.289 4.629 4.340 -0.000 0.000 0.290 551 Q C -0.896 175.001 176.000 -0.171 0.000 0.963 551 Q CA -0.739 54.960 55.803 -0.174 0.000 0.783 551 Q CB 1.411 30.073 28.738 -0.127 0.000 1.467 551 Q HN 0.304 nan 8.270 nan 0.000 0.402 552 N N 0.898 119.454 118.700 -0.240 0.000 2.444 552 N HA -0.031 4.709 4.740 -0.000 0.000 0.255 552 N C 0.097 175.537 175.510 -0.117 0.000 1.255 552 N CA 0.218 53.159 53.050 -0.182 0.000 0.933 552 N CB 0.566 38.902 38.487 -0.252 0.000 1.143 552 N HN 0.741 nan 8.380 nan 0.000 0.453 553 D N 0.157 120.515 120.400 -0.070 0.000 2.133 553 D HA -0.200 4.439 4.640 -0.000 0.000 0.195 553 D C 0.616 176.884 176.300 -0.053 0.000 0.997 553 D CA 1.519 55.493 54.000 -0.043 0.000 0.840 553 D CB 0.019 40.807 40.800 -0.019 0.000 0.947 553 D HN 0.669 nan 8.370 nan 0.000 0.452 554 D N -1.371 118.988 120.400 -0.068 0.000 2.349 554 D HA 0.033 4.673 4.640 -0.000 0.000 0.214 554 D C 0.893 177.141 176.300 -0.087 0.000 1.063 554 D CA -0.007 53.955 54.000 -0.063 0.000 0.847 554 D CB -0.104 40.666 40.800 -0.049 0.000 0.933 554 D HN 0.313 nan 8.370 nan 0.000 0.513 555 R N -1.421 118.997 120.500 -0.137 0.000 3.870 555 R HA -0.158 4.181 4.340 -0.000 0.000 0.463 555 R C 0.287 176.416 176.300 -0.285 0.000 0.790 555 R CA 1.170 57.160 56.100 -0.183 0.000 1.576 555 R CB -1.368 28.882 30.300 -0.084 0.000 2.233 555 R HN 0.145 nan 8.270 nan 0.000 0.463 556 R N 0.684 121.061 120.500 -0.205 0.000 2.893 556 R HA 0.258 4.598 4.340 -0.000 0.000 0.279 556 R C -0.152 175.932 176.300 -0.359 0.000 1.076 556 R CA 0.628 56.639 56.100 -0.148 0.000 1.203 556 R CB -0.012 30.262 30.300 -0.044 0.000 1.137 556 R HN 0.109 nan 8.270 nan 0.000 0.541 557 Y N -1.507 118.794 120.300 0.003 0.000 2.457 557 Y HA 0.209 4.758 4.550 -0.000 0.000 0.343 557 Y C 0.296 176.202 175.900 0.011 0.000 0.994 557 Y CA -0.628 57.476 58.100 0.006 0.000 1.031 557 Y CB 1.864 40.323 38.460 -0.003 0.000 1.246 557 Y HN 0.434 nan 8.280 nan 0.000 0.449 558 S N 1.791 117.583 115.700 0.153 0.000 2.593 558 S HA -0.092 4.377 4.470 -0.000 0.000 0.300 558 S C 1.245 175.894 174.600 0.082 0.000 1.267 558 S CA 0.151 58.412 58.200 0.101 0.000 1.065 558 S CB 0.281 63.539 63.200 0.096 0.000 0.807 558 S HN 0.837 nan 8.310 nan 0.000 0.499 559 E N 2.908 123.142 120.200 0.057 0.000 2.265 559 E HA -0.116 4.234 4.350 -0.000 0.000 0.196 559 E C 1.788 178.388 176.600 0.001 0.000 0.996 559 E CA 1.599 58.019 56.400 0.033 0.000 0.832 559 E CB -0.207 29.512 29.700 0.031 0.000 0.756 559 E HN 0.423 nan 8.360 nan 0.000 0.491 560 S N -0.654 115.039 115.700 -0.011 0.000 2.383 560 S HA 0.034 4.503 4.470 -0.000 0.000 0.227 560 S C 1.690 176.239 174.600 -0.086 0.000 1.026 560 S CA 1.496 59.650 58.200 -0.077 0.000 0.981 560 S CB -0.719 62.412 63.200 -0.116 0.000 0.818 560 S HN 0.777 nan 8.310 nan 0.000 0.472 561 G N 1.084 109.868 108.800 -0.026 0.000 2.175 561 G HA2 -0.234 3.725 3.960 -0.000 0.000 0.244 561 G HA3 -0.234 3.725 3.960 -0.000 0.000 0.244 561 G C 0.048 174.947 174.900 -0.002 0.000 0.982 561 G CA 0.255 45.347 45.100 -0.015 0.000 0.641 561 G HN 0.888 nan 8.290 nan 0.000 0.527 562 R N -1.733 118.761 120.500 -0.011 0.000 2.734 562 R HA 0.899 5.239 4.340 -0.000 0.000 0.271 562 R C -1.234 175.195 176.300 0.215 0.000 1.021 562 R CA -0.409 55.727 56.100 0.060 0.000 0.893 562 R CB 2.088 32.319 30.300 -0.115 0.000 1.244 562 R HN 1.126 nan 8.270 nan 0.000 0.464 566 V N 1.210 121.152 119.914 0.047 0.000 2.250 566 V HA -0.368 3.751 4.120 -0.000 0.000 0.250 566 V C 2.027 178.116 176.094 -0.009 0.000 1.039 566 V CA 2.626 64.954 62.300 0.047 0.000 1.042 566 V CB -1.586 30.282 31.823 0.074 0.000 0.673 566 V HN 0.494 nan 8.190 nan 0.000 0.477 567 D N 1.307 121.712 120.400 0.007 0.000 2.133 567 D HA -0.225 4.415 4.640 -0.000 0.000 0.192 567 D C 2.304 178.603 176.300 -0.002 0.000 1.001 567 D CA 2.183 56.189 54.000 0.010 0.000 0.844 567 D CB -0.642 40.183 40.800 0.041 0.000 0.944 567 D HN 0.632 nan 8.370 nan 0.000 0.447 568 A N 0.917 123.762 122.820 0.041 0.000 1.927 568 A HA -0.215 4.105 4.320 -0.000 0.000 0.220 568 A C 2.197 179.746 177.584 -0.059 0.000 1.185 568 A CA 1.660 53.749 52.037 0.086 0.000 0.639 568 A CB -0.703 18.455 19.000 0.263 0.000 0.820 568 A HN 0.271 nan 8.150 nan 0.000 0.451 569 L N -0.870 120.126 121.223 -0.377 0.000 2.127 569 L HA 0.001 4.341 4.340 -0.000 0.000 0.203 569 L C 2.402 179.114 176.870 -0.262 0.000 1.080 569 L CA 2.711 57.176 54.840 -0.626 0.000 0.768 569 L CB -1.225 40.132 42.059 -1.170 0.000 0.924 569 L HN 0.353 nan 8.230 nan 0.000 0.444 570 T N 0.895 115.342 114.554 -0.179 0.000 2.685 570 T HA -0.239 4.111 4.350 -0.000 0.000 0.268 570 T C 1.702 176.367 174.700 -0.058 0.000 1.034 570 T CA 2.116 64.157 62.100 -0.098 0.000 1.149 570 T CB -0.294 68.539 68.868 -0.059 0.000 0.860 570 T HN 0.449 nan 8.240 nan 0.000 0.449 571 R N 0.860 121.337 120.500 -0.038 0.000 2.334 571 R HA 0.442 4.782 4.340 -0.000 0.000 0.216 571 R C 0.923 177.222 176.300 -0.001 0.000 0.905 571 R CA 0.213 56.309 56.100 -0.007 0.000 1.064 571 R CB 0.009 30.315 30.300 0.009 0.000 1.046 571 R HN 0.297 nan 8.270 nan 0.000 0.508 575 V N 3.104 123.010 119.914 -0.012 0.000 2.250 575 V HA -0.172 3.948 4.120 -0.000 0.000 0.250 575 V C -1.057 175.080 176.094 0.071 0.000 1.060 575 V CA 2.698 65.008 62.300 0.016 0.000 1.030 575 V CB -1.368 30.474 31.823 0.031 0.000 0.643 575 V HN 0.289 nan 8.190 nan 0.000 0.445 576 P HA -0.035 nan 4.420 nan 0.000 0.229 576 P C 1.643 179.010 177.300 0.112 0.000 1.160 576 P CA 1.178 64.353 63.100 0.125 0.000 0.777 576 P CB -0.089 31.706 31.700 0.157 0.000 0.814 577 T N -0.767 113.857 114.554 0.117 0.000 2.770 577 T HA -0.057 4.293 4.350 -0.000 0.000 0.258 577 T C 1.836 176.553 174.700 0.027 0.000 1.039 577 T CA 1.027 63.169 62.100 0.070 0.000 1.143 577 T CB -0.875 68.089 68.868 0.159 0.000 0.866 577 T HN -0.173 nan 8.240 nan 0.000 0.428 578 V N 2.428 122.391 119.914 0.082 0.000 2.252 578 V HA -0.277 3.843 4.120 -0.000 0.000 0.249 578 V C 2.327 178.472 176.094 0.083 0.000 1.056 578 V CA 1.843 64.215 62.300 0.120 0.000 1.022 578 V CB -0.789 31.118 31.823 0.140 0.000 0.641 578 V HN 0.566 nan 8.190 nan 0.000 0.445 579 N N -0.428 118.315 118.700 0.072 0.000 2.089 579 N HA -0.270 4.470 4.740 -0.000 0.000 0.198 579 N C 1.888 177.428 175.510 0.049 0.000 1.017 579 N CA 2.001 55.093 53.050 0.071 0.000 0.880 579 N CB -0.176 38.362 38.487 0.084 0.000 1.042 579 N HN 0.423 nan 8.380 nan 0.000 0.446 580 L N 0.945 122.168 121.223 0.000 0.000 2.049 580 L HA 0.041 4.381 4.340 -0.000 0.000 0.203 580 L C 1.435 178.232 176.870 -0.123 0.000 1.074 580 L CA 0.656 55.453 54.840 -0.072 0.000 0.749 580 L CB -0.826 41.105 42.059 -0.213 0.000 0.907 580 L HN 0.083 nan 8.230 nan 0.000 0.439 584 L N 0.449 121.662 121.223 -0.018 0.000 2.179 584 L HA 0.432 4.772 4.340 -0.000 0.000 0.208 584 L C 1.253 178.109 176.870 -0.023 0.000 1.096 584 L CA 2.133 56.934 54.840 -0.065 0.000 0.779 584 L CB -0.627 41.321 42.059 -0.185 0.000 0.922 584 L HN 1.339 nan 8.230 nan 0.000 0.443 585 G N -1.902 106.892 108.800 -0.009 0.000 3.067 585 G HA2 -0.155 3.804 3.960 -0.000 0.000 0.686 585 G HA3 -0.155 3.804 3.960 -0.000 0.000 0.686 585 G C 0.454 175.354 174.900 0.000 0.000 1.119 585 G CA -0.202 44.900 45.100 0.003 0.000 0.790 585 G HN 0.071 nan 8.290 nan 0.000 0.605 586 L N 2.151 123.382 121.223 0.013 0.000 2.017 586 L HA -0.052 4.288 4.340 -0.000 0.000 0.208 586 L C 0.332 177.218 176.870 0.025 0.000 1.073 586 L CA 2.129 56.982 54.840 0.023 0.000 0.745 586 L CB -0.904 41.167 42.059 0.020 0.000 0.894 586 L HN 0.484 nan 8.230 nan 0.000 0.432 587 P HA -0.214 nan 4.420 nan 0.000 0.216 587 P C 1.457 178.763 177.300 0.009 0.000 1.153 587 P CA 1.909 65.017 63.100 0.013 0.000 0.858 587 P CB -0.030 31.674 31.700 0.007 0.000 0.789 588 A N -0.508 122.310 122.820 -0.004 0.000 1.841 588 A HA -0.201 4.118 4.320 -0.000 0.000 0.216 588 A C 2.359 179.919 177.584 -0.039 0.000 1.199 588 A CA 2.321 54.344 52.037 -0.023 0.000 0.621 588 A CB -1.784 17.194 19.000 -0.036 0.000 0.835 588 A HN 0.030 nan 8.150 nan 0.000 0.445 589 V N -0.017 119.872 119.914 -0.041 0.000 2.453 589 V HA -0.263 3.857 4.120 -0.000 0.000 0.252 589 V C 2.698 178.802 176.094 0.018 0.000 1.068 589 V CA 2.476 64.737 62.300 -0.066 0.000 1.070 589 V CB -1.381 30.431 31.823 -0.019 0.000 0.664 589 V HN 0.645 nan 8.190 nan 0.000 0.461 590 T N 0.324 114.939 114.554 0.102 0.000 2.746 590 T HA -0.197 4.153 4.350 -0.000 0.000 0.267 590 T C 1.854 176.635 174.700 0.135 0.000 1.039 590 T CA 1.741 63.950 62.100 0.182 0.000 1.142 590 T CB -0.263 68.662 68.868 0.095 0.000 0.866 590 T HN 0.834 nan 8.240 nan 0.000 0.444 591 E N 0.732 120.959 120.200 0.043 0.000 2.216 591 E HA -0.092 4.258 4.350 -0.000 0.000 0.192 591 E C 1.914 178.507 176.600 -0.012 0.000 0.988 591 E CA 1.076 57.489 56.400 0.021 0.000 0.834 591 E CB -0.748 28.953 29.700 0.002 0.000 0.772 591 E HN 0.314 nan 8.360 nan 0.000 0.479 592 T N 0.967 115.468 114.554 -0.089 0.000 2.684 592 T HA -0.172 4.178 4.350 -0.000 0.000 0.267 592 T C 1.275 175.863 174.700 -0.186 0.000 1.036 592 T CA 1.976 63.959 62.100 -0.195 0.000 1.148 592 T CB -0.505 68.150 68.868 -0.355 0.000 0.863 592 T HN 0.392 nan 8.240 nan 0.000 0.436 593 W N 1.138 122.394 121.300 -0.074 0.000 2.335 593 W HA -0.031 4.629 4.660 -0.000 0.000 0.311 593 W C 2.180 178.659 176.519 -0.068 0.000 1.213 593 W CA 0.286 57.583 57.345 -0.081 0.000 1.274 593 W CB -0.486 28.931 29.460 -0.073 0.000 1.148 593 W HN 0.214 nan 8.180 nan 0.000 0.498 594 I N 0.397 121.072 120.570 0.175 0.000 2.264 594 I HA -0.339 3.831 4.170 -0.000 0.000 0.248 594 I C 2.204 178.351 176.117 0.048 0.000 1.111 594 I CA 1.449 62.800 61.300 0.086 0.000 1.382 594 I CB -0.665 37.365 38.000 0.049 0.000 1.060 594 I HN 0.041 nan 8.210 nan 0.000 0.418 595 K N 0.735 121.146 120.400 0.019 0.000 2.116 595 K HA -0.026 4.294 4.320 -0.000 0.000 0.203 595 K C 2.118 178.710 176.600 -0.014 0.000 1.052 595 K CA 0.999 57.282 56.287 -0.007 0.000 0.952 595 K CB -0.133 32.348 32.500 -0.032 0.000 0.729 595 K HN 0.311 nan 8.250 nan 0.000 0.446 596 L N 0.009 121.215 121.223 -0.029 0.000 2.191 596 L HA -0.102 4.238 4.340 -0.000 0.000 0.212 596 L C 1.184 178.066 176.870 0.020 0.000 1.103 596 L CA 1.184 56.003 54.840 -0.036 0.000 0.769 596 L CB -0.347 41.657 42.059 -0.091 0.000 0.908 596 L HN 0.508 nan 8.230 nan 0.000 0.438 597 G N 0.068 108.899 108.800 0.052 0.000 2.186 597 G HA2 -0.135 3.825 3.960 -0.000 0.000 0.130 597 G HA3 -0.135 3.825 3.960 -0.000 0.000 0.130 597 G C -0.042 174.888 174.900 0.051 0.000 1.031 597 G CA -0.147 44.980 45.100 0.045 0.000 0.697 597 G HN 0.174 nan 8.290 nan 0.000 0.494 598 V N -2.179 117.777 119.914 0.071 0.000 2.837 598 V HA 0.901 5.021 4.120 -0.000 0.000 0.310 598 V C -1.767 174.328 176.094 0.002 0.000 1.059 598 V CA -2.621 59.699 62.300 0.033 0.000 1.004 598 V CB 1.205 33.040 31.823 0.020 0.000 1.045 598 V HN 0.042 nan 8.190 nan 0.000 0.465 599 P HA 0.122 nan 4.420 nan 0.000 0.262 599 P C 0.347 177.620 177.300 -0.044 0.000 1.182 599 P CA 0.029 63.111 63.100 -0.031 0.000 0.761 599 P CB 0.379 32.056 31.700 -0.039 0.000 0.795 600 K N 2.338 122.715 120.400 -0.039 0.000 2.097 600 K HA -0.113 4.207 4.320 -0.000 0.000 0.205 600 K C 0.769 177.313 176.600 -0.094 0.000 1.050 600 K CA 1.483 57.739 56.287 -0.052 0.000 0.938 600 K CB -0.588 31.889 32.500 -0.038 0.000 0.718 600 K HN 0.610 nan 8.250 nan 0.000 0.442 601 D N 0.512 120.858 120.400 -0.089 0.000 2.663 601 D HA -0.038 4.601 4.640 -0.000 0.000 0.243 601 D C 0.763 176.987 176.300 -0.127 0.000 1.218 601 D CA 0.194 54.121 54.000 -0.122 0.000 0.846 601 D CB 0.312 41.068 40.800 -0.073 0.000 1.014 601 D HN -0.002 nan 8.370 nan 0.000 0.476 602 Q N -0.418 119.299 119.800 -0.139 0.000 2.342 602 Q HA 0.144 4.484 4.340 -0.000 0.000 0.261 602 Q C 0.400 176.328 176.000 -0.119 0.000 0.841 602 Q CA -0.093 55.664 55.803 -0.077 0.000 0.969 602 Q CB 0.918 29.608 28.738 -0.080 0.000 1.136 602 Q HN 0.275 nan 8.270 nan 0.000 0.528 603 L N 3.213 124.311 121.223 -0.209 0.000 2.433 603 L HA 0.157 4.497 4.340 -0.000 0.000 0.275 603 L C -0.491 176.197 176.870 -0.303 0.000 1.128 603 L CA 0.598 55.331 54.840 -0.178 0.000 0.875 603 L CB -0.785 41.207 42.059 -0.112 0.000 1.171 603 L HN 0.103 nan 8.230 nan 0.000 0.463 604 H N 3.977 122.989 119.070 -0.096 0.000 2.646 604 H HA 0.378 4.934 4.556 -0.000 0.000 0.328 604 H C -1.834 173.449 175.328 -0.074 0.000 0.998 604 H CA -1.821 54.181 56.048 -0.076 0.000 1.225 604 H CB 0.857 30.570 29.762 -0.082 0.000 1.457 604 H HN 0.342 nan 8.280 nan 0.000 0.505 605 P HA 0.029 nan 4.420 nan 0.000 0.220 605 P C -0.062 177.230 177.300 -0.014 0.000 1.793 605 P CA -0.240 62.867 63.100 0.012 0.000 0.917 605 P CB -0.004 31.701 31.700 0.008 0.000 1.755 606 V N 0.684 120.573 119.914 -0.042 0.000 3.083 606 V HA 0.283 4.402 4.120 -0.000 0.000 0.306 606 V C -1.237 174.760 176.094 -0.163 0.000 1.077 606 V CA -1.900 60.332 62.300 -0.114 0.000 1.073 606 V CB 1.059 32.786 31.823 -0.160 0.000 1.081 606 V HN -0.005 nan 8.190 nan 0.000 0.474 607 P HA -0.051 nan 4.420 nan 0.000 0.216 607 P C 0.708 177.774 177.300 -0.391 0.000 1.153 607 P CA 1.854 64.784 63.100 -0.284 0.000 0.858 607 P CB -0.281 31.175 31.700 -0.406 0.000 0.789 611 L N 0.238 121.588 121.223 0.211 0.000 2.628 611 L HA 0.652 4.992 4.340 -0.000 0.000 0.229 611 L C 1.223 178.181 176.870 0.147 0.000 1.137 611 L CA 1.141 56.104 54.840 0.205 0.000 0.909 611 L CB -0.122 42.100 42.059 0.272 0.000 1.137 611 L HN 0.450 nan 8.230 nan 0.000 0.470 612 G N -1.284 107.576 108.800 0.099 0.000 2.151 612 G HA2 -0.112 3.848 3.960 -0.000 0.000 0.140 612 G HA3 -0.112 3.848 3.960 -0.000 0.000 0.140 612 G C 0.490 175.380 174.900 -0.017 0.000 1.020 612 G CA -0.215 44.904 45.100 0.030 0.000 0.688 612 G HN 0.458 nan 8.290 nan 0.000 0.500 613 A N 0.436 123.241 122.820 -0.024 0.000 2.899 613 A HA 0.642 4.962 4.320 -0.000 0.000 0.287 613 A C -0.033 177.480 177.584 -0.118 0.000 1.715 613 A CA 0.572 52.569 52.037 -0.067 0.000 1.393 613 A CB -0.054 18.892 19.000 -0.091 0.000 1.070 613 A HN 1.562 nan 8.150 nan 0.000 0.587 614 L N 2.036 123.178 121.223 -0.135 0.000 2.830 614 L HA 0.264 4.604 4.340 -0.000 0.000 0.259 614 L C -1.437 175.332 176.870 -0.167 0.000 0.943 614 L CA -0.332 54.384 54.840 -0.207 0.000 0.997 614 L CB 1.056 42.871 42.059 -0.405 0.000 1.427 614 L HN 0.559 nan 8.230 nan 0.000 0.456 615 N N 6.041 124.673 118.700 -0.115 0.000 2.546 615 N HA 0.623 5.362 4.740 -0.000 0.000 0.238 615 N C -1.076 174.386 175.510 -0.080 0.000 0.984 615 N CA -0.708 52.301 53.050 -0.069 0.000 0.935 615 N CB 1.197 39.664 38.487 -0.033 0.000 1.122 615 N HN 0.223 nan 8.380 nan 0.000 0.510 616 L N 1.099 122.265 121.223 -0.094 0.000 2.304 616 L HA 0.522 4.862 4.340 -0.000 0.000 0.268 616 L C 0.907 177.758 176.870 -0.032 0.000 1.010 616 L CA -0.836 53.952 54.840 -0.087 0.000 0.813 616 L CB 1.239 43.214 42.059 -0.141 0.000 1.315 616 L HN 0.430 nan 8.230 nan 0.000 0.445 617 T N -2.626 111.911 114.554 -0.029 0.000 2.875 617 T HA 0.419 4.769 4.350 -0.000 0.000 0.284 617 T C -2.073 172.649 174.700 0.036 0.000 0.995 617 T CA -1.811 60.276 62.100 -0.022 0.000 1.060 617 T CB 1.525 70.361 68.868 -0.054 0.000 0.967 617 T HN 0.348 nan 8.240 nan 0.000 0.476 618 P HA -0.186 nan 4.420 nan 0.000 0.218 618 P C 1.597 178.957 177.300 0.099 0.000 1.154 618 P CA 0.607 63.820 63.100 0.189 0.000 0.872 618 P CB -0.089 31.707 31.700 0.160 0.000 0.790 619 I N 0.216 120.815 120.570 0.048 0.000 2.145 619 I HA -0.281 3.889 4.170 -0.000 0.000 0.244 619 I C 1.890 178.032 176.117 0.041 0.000 1.075 619 I CA 1.774 63.095 61.300 0.037 0.000 1.332 619 I CB -0.901 37.105 38.000 0.009 0.000 1.033 619 I HN -0.033 nan 8.210 nan 0.000 0.410 620 E N -0.463 119.754 120.200 0.027 0.000 2.072 620 E HA -0.166 4.184 4.350 -0.000 0.000 0.191 620 E C 2.246 178.878 176.600 0.052 0.000 0.985 620 E CA 1.672 58.087 56.400 0.025 0.000 0.801 620 E CB -0.272 29.425 29.700 -0.004 0.000 0.750 620 E HN 0.419 nan 8.360 nan 0.000 0.452 621 V N 1.783 121.729 119.914 0.053 0.000 2.231 621 V HA -0.363 3.757 4.120 -0.000 0.000 0.248 621 V C 2.418 178.629 176.094 0.194 0.000 1.054 621 V CA 1.973 64.338 62.300 0.108 0.000 1.015 621 V CB -1.097 30.741 31.823 0.025 0.000 0.638 621 V HN 0.380 nan 8.190 nan 0.000 0.444 622 A N -0.295 122.603 122.820 0.131 0.000 1.923 622 A HA -0.456 3.864 4.320 -0.000 0.000 0.222 622 A C 2.199 179.857 177.584 0.123 0.000 1.258 622 A CA 3.120 55.225 52.037 0.113 0.000 0.670 622 A CB -0.845 18.201 19.000 0.077 0.000 0.834 622 A HN 0.625 nan 8.150 nan 0.000 0.470 623 Q N -0.603 119.255 119.800 0.096 0.000 2.084 623 Q HA -0.020 4.320 4.340 -0.000 0.000 0.202 623 Q C 2.095 178.137 176.000 0.071 0.000 0.978 623 Q CA 2.397 58.245 55.803 0.074 0.000 0.844 623 Q CB -0.647 28.125 28.738 0.055 0.000 0.898 623 Q HN 0.628 nan 8.270 nan 0.000 0.426 624 A N -0.398 122.477 122.820 0.092 0.000 1.835 624 A HA -0.150 4.170 4.320 -0.000 0.000 0.215 624 A C 1.965 179.509 177.584 -0.067 0.000 1.199 624 A CA 1.625 53.676 52.037 0.024 0.000 0.615 624 A CB -1.180 17.866 19.000 0.076 0.000 0.838 624 A HN 0.492 nan 8.150 nan 0.000 0.444 625 F N 0.011 119.956 119.950 -0.007 0.000 2.171 625 F HA -0.208 4.319 4.527 -0.000 0.000 0.300 625 F C 2.670 178.436 175.800 -0.056 0.000 1.090 625 F CA 1.629 59.602 58.000 -0.044 0.000 1.293 625 F CB -0.244 38.720 39.000 -0.061 0.000 1.013 625 F HN 0.288 nan 8.300 nan 0.000 0.486 626 Q N 0.740 120.612 119.800 0.119 0.000 2.029 626 Q HA -0.238 4.102 4.340 -0.000 0.000 0.209 626 Q C 2.056 178.048 176.000 -0.014 0.000 0.999 626 Q CA 2.821 58.644 55.803 0.033 0.000 0.857 626 Q CB -0.935 27.827 28.738 0.040 0.000 0.926 626 Q HN 0.339 nan 8.270 nan 0.000 0.415 627 T N 1.589 116.133 114.554 -0.016 0.000 2.822 627 T HA -0.164 4.186 4.350 -0.000 0.000 0.270 627 T C 1.828 176.489 174.700 -0.064 0.000 1.064 627 T CA 1.477 63.555 62.100 -0.036 0.000 1.131 627 T CB -0.313 68.530 68.868 -0.042 0.000 0.858 627 T HN 0.508 nan 8.240 nan 0.000 0.483 628 I N 0.823 121.339 120.570 -0.091 0.000 2.494 628 I HA 0.307 4.477 4.170 -0.000 0.000 0.250 628 I C 2.452 178.532 176.117 -0.062 0.000 1.112 628 I CA 0.987 62.230 61.300 -0.096 0.000 1.438 628 I CB -0.674 37.228 38.000 -0.163 0.000 1.111 628 I HN 0.079 nan 8.210 nan 0.000 0.431 629 A N 0.927 123.713 122.820 -0.057 0.000 1.908 629 A HA -0.220 4.100 4.320 -0.000 0.000 0.218 629 A C 2.358 179.812 177.584 -0.216 0.000 1.181 629 A CA 2.155 54.130 52.037 -0.105 0.000 0.627 629 A CB -1.525 17.410 19.000 -0.108 0.000 0.818 629 A HN 0.689 nan 8.150 nan 0.000 0.445 630 S N -1.456 114.117 115.700 -0.213 0.000 2.653 630 S HA 0.314 4.783 4.470 -0.000 0.000 0.233 630 S C 1.381 175.993 174.600 0.020 0.000 0.970 630 S CA 1.093 59.154 58.200 -0.230 0.000 0.947 630 S CB -0.737 62.431 63.200 -0.054 0.000 0.771 630 S HN 1.991 nan 8.310 nan 0.000 0.538 631 G N 0.081 108.888 108.800 0.012 0.000 2.175 631 G HA2 0.091 4.051 3.960 -0.000 0.000 0.244 631 G HA3 0.091 4.051 3.960 -0.000 0.000 0.244 631 G C 0.913 175.826 174.900 0.022 0.000 0.982 631 G CA 0.106 45.246 45.100 0.067 0.000 0.641 631 G HN 1.891 nan 8.290 nan 0.000 0.527 632 G N -1.295 107.505 108.800 -0.001 0.000 2.154 632 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.186 632 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.186 632 G C -0.236 174.661 174.900 -0.005 0.000 1.000 632 G CA 0.326 45.414 45.100 -0.020 0.000 0.664 632 G HN 1.095 nan 8.290 nan 0.000 0.513 633 N N 0.420 119.131 118.700 0.019 0.000 2.437 633 N HA 0.445 5.185 4.740 -0.000 0.000 0.259 633 N C 0.240 175.768 175.510 0.029 0.000 0.983 633 N CA -0.643 52.428 53.050 0.035 0.000 0.937 633 N CB 0.896 39.426 38.487 0.072 0.000 1.122 633 N HN 0.264 nan 8.380 nan 0.000 0.499 634 R N 2.576 123.088 120.500 0.021 0.000 2.387 634 R HA 0.239 4.578 4.340 -0.000 0.000 0.321 634 R C -0.811 175.513 176.300 0.042 0.000 1.174 634 R CA -0.262 55.853 56.100 0.024 0.000 1.002 634 R CB 0.014 30.324 30.300 0.017 0.000 1.028 634 R HN 0.543 nan 8.270 nan 0.000 0.482 635 A N 6.782 129.633 122.820 0.051 0.000 2.252 635 A HA 0.412 4.732 4.320 -0.000 0.000 0.309 635 A C -2.319 175.302 177.584 0.061 0.000 1.285 635 A CA -1.931 50.145 52.037 0.066 0.000 0.900 635 A CB 0.751 19.802 19.000 0.084 0.000 1.157 635 A HN 0.533 nan 8.150 nan 0.000 0.536 636 P HA 0.157 nan 4.420 nan 0.000 0.267 636 P C -0.359 176.980 177.300 0.065 0.000 1.209 636 P CA -0.215 62.920 63.100 0.058 0.000 0.763 636 P CB 0.358 32.093 31.700 0.058 0.000 0.816 637 L N 3.383 124.641 121.223 0.058 0.000 2.559 637 L HA 0.083 4.423 4.340 -0.000 0.000 0.282 637 L C 0.640 177.547 176.870 0.062 0.000 1.232 637 L CA 1.444 56.322 54.840 0.062 0.000 0.885 637 L CB -0.657 41.434 42.059 0.053 0.000 1.131 637 L HN 0.462 nan 8.230 nan 0.000 0.498 638 S N 0.790 116.538 115.700 0.080 0.000 2.572 638 S HA 0.752 5.222 4.470 -0.000 0.000 0.274 638 S C 0.189 174.852 174.600 0.105 0.000 1.150 638 S CA -0.251 58.001 58.200 0.088 0.000 0.944 638 S CB 1.732 65.003 63.200 0.118 0.000 1.071 638 S HN 0.641 nan 8.310 nan 0.000 0.479 639 A N 1.416 124.273 122.820 0.061 0.000 2.085 639 A HA 0.513 4.833 4.320 -0.000 0.000 0.208 639 A C 0.204 177.896 177.584 0.181 0.000 1.191 639 A CA 0.529 52.604 52.037 0.063 0.000 0.799 639 A CB -0.186 18.656 19.000 -0.264 0.000 0.877 639 A HN 0.583 nan 8.150 nan 0.000 0.473 640 L N -0.117 121.203 121.223 0.162 0.000 2.334 640 L HA 0.502 4.842 4.340 -0.000 0.000 0.277 640 L C 1.350 178.383 176.870 0.271 0.000 1.075 640 L CA -0.032 54.953 54.840 0.241 0.000 0.804 640 L CB 1.056 43.261 42.059 0.244 0.000 1.174 640 L HN 0.138 nan 8.230 nan 0.000 0.438 641 R N 0.258 120.911 120.500 0.255 0.000 2.194 641 R HA 0.331 4.670 4.340 -0.000 0.000 0.194 641 R C 0.212 176.544 176.300 0.053 0.000 0.985 641 R CA 0.859 57.040 56.100 0.134 0.000 1.104 641 R CB 0.565 30.940 30.300 0.125 0.000 1.092 641 R HN 0.854 nan 8.270 nan 0.000 0.555 642 S N -1.760 114.054 115.700 0.191 0.000 2.800 642 S HA 0.521 4.991 4.470 -0.000 0.000 0.293 642 S C -1.156 173.650 174.600 0.343 0.000 1.209 642 S CA -0.420 57.876 58.200 0.160 0.000 0.884 642 S CB 1.760 64.964 63.200 0.006 0.000 1.244 642 S HN -0.031 nan 8.310 nan 0.000 0.540 643 V N 1.228 121.325 119.914 0.305 0.000 2.857 643 V HA 0.430 4.550 4.120 -0.000 0.000 0.267 643 V C -2.271 173.967 176.094 0.240 0.000 1.193 643 V CA -0.627 61.856 62.300 0.305 0.000 0.933 643 V CB 0.662 32.644 31.823 0.265 0.000 1.073 643 V HN 0.924 nan 8.190 nan 0.000 0.479 644 I N 5.259 125.992 120.570 0.271 0.000 2.460 644 I HA 0.784 4.954 4.170 -0.000 0.000 0.298 644 I C 0.915 177.126 176.117 0.157 0.000 0.989 644 I CA -0.219 61.199 61.300 0.196 0.000 1.173 644 I CB 1.589 39.713 38.000 0.208 0.000 1.338 644 I HN 0.758 nan 8.210 nan 0.000 0.456 645 A N 3.932 126.819 122.820 0.113 0.000 2.313 645 A HA 0.189 4.508 4.320 -0.000 0.000 0.261 645 A C 1.424 179.058 177.584 0.082 0.000 1.090 645 A CA -0.179 51.912 52.037 0.089 0.000 0.807 645 A CB 0.210 19.251 19.000 0.069 0.000 1.055 645 A HN 0.910 nan 8.150 nan 0.000 0.492 646 E N 0.491 120.732 120.200 0.068 0.000 2.108 646 E HA -0.318 4.032 4.350 -0.000 0.000 0.203 646 E C 1.116 177.749 176.600 0.056 0.000 1.022 646 E CA 2.248 58.685 56.400 0.062 0.000 0.823 646 E CB -0.289 29.436 29.700 0.041 0.000 0.744 646 E HN 0.829 nan 8.360 nan 0.000 0.456 647 D N -1.272 119.156 120.400 0.047 0.000 2.120 647 D HA -0.156 4.484 4.640 -0.000 0.000 0.216 647 D C 1.516 177.841 176.300 0.042 0.000 0.999 647 D CA 1.639 55.663 54.000 0.040 0.000 0.903 647 D CB -0.389 40.432 40.800 0.035 0.000 1.104 647 D HN 0.415 nan 8.370 nan 0.000 0.466 648 G N -0.356 108.470 108.800 0.043 0.000 4.660 648 G HA2 -0.045 3.915 3.960 -0.000 0.000 0.217 648 G HA3 -0.045 3.915 3.960 -0.000 0.000 0.217 648 G C -0.084 174.840 174.900 0.040 0.000 0.646 648 G CA -0.381 44.742 45.100 0.039 0.000 0.852 648 G HN 0.335 nan 8.290 nan 0.000 0.640 649 K N 1.851 122.280 120.400 0.047 0.000 2.383 649 K HA 0.445 4.765 4.320 -0.000 0.000 0.286 649 K C 0.365 177.001 176.600 0.061 0.000 1.051 649 K CA -0.301 56.014 56.287 0.048 0.000 0.974 649 K CB 1.168 33.697 32.500 0.049 0.000 0.968 649 K HN -0.035 nan 8.250 nan 0.000 0.475 650 V N 6.744 126.689 119.914 0.052 0.000 2.694 650 V HA -0.067 4.053 4.120 -0.000 0.000 0.306 650 V C 1.012 177.159 176.094 0.088 0.000 1.054 650 V CA 0.581 62.917 62.300 0.060 0.000 1.161 650 V CB 0.361 32.200 31.823 0.027 0.000 0.916 650 V HN 0.838 nan 8.190 nan 0.000 0.490 651 L N 6.522 127.820 121.223 0.125 0.000 2.609 651 L HA 0.362 4.702 4.340 -0.000 0.000 0.230 651 L C -0.186 176.821 176.870 0.229 0.000 1.087 651 L CA 0.109 55.037 54.840 0.148 0.000 0.874 651 L CB 0.178 42.320 42.059 0.138 0.000 1.114 651 L HN 0.766 nan 8.230 nan 0.000 0.488 652 Y N 0.505 120.849 120.300 0.074 0.000 2.465 652 Y HA 0.444 4.994 4.550 -0.000 0.000 0.323 652 Y C -1.442 174.488 175.900 0.049 0.000 1.191 652 Y CA -1.149 56.998 58.100 0.079 0.000 1.082 652 Y CB 1.213 39.718 38.460 0.074 0.000 1.334 652 Y HN -0.057 nan 8.280 nan 0.000 0.449 653 Q N 3.826 123.148 119.800 -0.797 0.000 2.310 653 Q HA 0.498 4.838 4.340 -0.000 0.000 0.270 653 Q C -1.362 173.924 176.000 -1.191 0.000 1.025 653 Q CA -0.632 54.636 55.803 -0.892 0.000 0.772 653 Q CB 1.795 30.150 28.738 -0.638 0.000 1.253 653 Q HN 0.679 nan 8.270 nan 0.000 0.450 654 S N 4.584 119.685 115.700 -1.000 0.000 2.422 654 S HA 0.494 4.964 4.470 -0.000 0.000 0.283 654 S C -0.712 173.660 174.600 -0.380 0.000 1.163 654 S CA -0.448 57.495 58.200 -0.428 0.000 1.054 654 S CB -0.177 63.013 63.200 -0.016 0.000 0.967 654 S HN 0.437 nan 8.310 nan 0.000 0.499 655 F N 3.014 122.915 119.950 -0.082 0.000 2.432 655 F HA 0.503 5.030 4.527 -0.000 0.000 0.329 655 F C -1.972 173.829 175.800 0.002 0.000 1.076 655 F CA -2.566 55.408 58.000 -0.043 0.000 1.018 655 F CB 0.582 39.556 39.000 -0.043 0.000 1.201 655 F HN 0.372 nan 8.300 nan 0.000 0.489 656 P HA 0.048 nan 4.420 nan 0.000 0.263 656 P C -1.127 176.247 177.300 0.122 0.000 1.195 656 P CA 0.225 63.400 63.100 0.125 0.000 0.762 656 P CB 0.251 32.008 31.700 0.095 0.000 0.799 657 Q N 1.602 121.465 119.800 0.105 0.000 2.139 657 Q HA 0.447 4.787 4.340 -0.000 0.000 0.301 657 Q C 0.063 176.106 176.000 0.072 0.000 0.874 657 Q CA -0.485 55.370 55.803 0.087 0.000 1.116 657 Q CB 0.770 29.566 28.738 0.097 0.000 1.278 657 Q HN 0.437 nan 8.270 nan 0.000 0.426 658 A N 1.123 123.985 122.820 0.071 0.000 2.448 658 A HA 0.336 4.656 4.320 -0.000 0.000 0.239 658 A C -0.090 177.524 177.584 0.050 0.000 1.080 658 A CA 0.360 52.436 52.037 0.066 0.000 0.779 658 A CB 0.501 19.548 19.000 0.078 0.000 1.026 658 A HN 0.379 nan 8.150 nan 0.000 0.499 659 E N -1.045 119.180 120.200 0.042 0.000 2.356 659 E HA 0.462 4.812 4.350 -0.000 0.000 0.275 659 E C -0.869 175.745 176.600 0.024 0.000 0.904 659 E CA -0.935 55.483 56.400 0.030 0.000 0.757 659 E CB 1.420 31.136 29.700 0.026 0.000 1.232 659 E HN 0.571 nan 8.360 nan 0.000 0.442 660 R N 2.570 123.081 120.500 0.018 0.000 2.248 660 R HA 0.365 4.705 4.340 -0.000 0.000 0.337 660 R C -0.339 175.964 176.300 0.004 0.000 1.085 660 R CA 0.754 56.860 56.100 0.011 0.000 0.934 660 R CB 0.334 30.639 30.300 0.009 0.000 1.034 660 R HN 0.531 nan 8.270 nan 0.000 0.465 661 A N 3.960 126.778 122.820 -0.004 0.000 2.014 661 A HA 0.269 4.589 4.320 -0.000 0.000 0.210 661 A C 0.186 177.757 177.584 -0.022 0.000 1.188 661 A CA 0.803 52.832 52.037 -0.013 0.000 0.731 661 A CB 0.244 19.231 19.000 -0.021 0.000 0.858 661 A HN 0.647 nan 8.150 nan 0.000 0.464 662 V N -4.483 115.416 119.914 -0.025 0.000 3.147 662 V HA 0.639 4.759 4.120 -0.000 0.000 0.306 662 V C -3.476 172.603 176.094 -0.025 0.000 1.209 662 V CA -2.710 59.575 62.300 -0.025 0.000 1.023 662 V CB 1.492 33.285 31.823 -0.049 0.000 1.059 662 V HN 0.031 nan 8.190 nan 0.000 0.435 663 P HA 0.305 nan 4.420 nan 0.000 0.266 663 P C 0.778 177.985 177.300 -0.154 0.000 1.195 663 P CA 0.727 63.782 63.100 -0.075 0.000 0.768 663 P CB 1.037 32.717 31.700 -0.033 0.000 0.838 664 A N 3.356 126.063 122.820 -0.189 0.000 1.865 664 A HA -0.277 4.043 4.320 -0.000 0.000 0.217 664 A C 1.988 179.427 177.584 -0.242 0.000 1.191 664 A CA 1.784 53.722 52.037 -0.166 0.000 0.623 664 A CB -1.316 17.592 19.000 -0.153 0.000 0.826 664 A HN 0.519 nan 8.150 nan 0.000 0.444 665 Q N 0.012 119.476 119.800 -0.560 0.000 2.152 665 Q HA -0.119 4.221 4.340 -0.000 0.000 0.206 665 Q C 2.253 178.062 176.000 -0.319 0.000 0.985 665 Q CA 2.017 57.375 55.803 -0.741 0.000 0.863 665 Q CB -0.726 26.788 28.738 -2.041 0.000 0.904 665 Q HN 0.692 nan 8.270 nan 0.000 0.422 666 A N 0.632 123.296 122.820 -0.258 0.000 1.832 666 A HA -0.051 4.269 4.320 -0.000 0.000 0.214 666 A C 2.316 179.920 177.584 0.032 0.000 1.200 666 A CA 1.782 53.840 52.037 0.035 0.000 0.610 666 A CB -1.352 17.701 19.000 0.089 0.000 0.842 666 A HN 0.387 nan 8.150 nan 0.000 0.444 667 A N -1.218 121.596 122.820 -0.009 0.000 1.915 667 A HA -0.268 4.052 4.320 -0.000 0.000 0.220 667 A C 2.143 179.755 177.584 0.047 0.000 1.198 667 A CA 2.227 54.264 52.037 -0.000 0.000 0.647 667 A CB -1.173 17.820 19.000 -0.012 0.000 0.825 667 A HN 0.888 nan 8.150 nan 0.000 0.456 668 Y N 0.434 120.709 120.300 -0.042 0.000 2.040 668 Y HA -0.267 4.283 4.550 -0.000 0.000 0.275 668 Y C 2.082 178.028 175.900 0.076 0.000 1.171 668 Y CA 2.218 60.320 58.100 0.004 0.000 1.123 668 Y CB -0.510 37.916 38.460 -0.056 0.000 0.963 668 Y HN 0.241 nan 8.280 nan 0.000 0.493 669 L N -0.867 120.409 121.223 0.090 0.000 2.042 669 L HA -0.276 4.064 4.340 -0.000 0.000 0.210 669 L C 2.358 179.267 176.870 0.066 0.000 1.076 669 L CA 1.920 56.792 54.840 0.054 0.000 0.749 669 L CB -1.001 41.151 42.059 0.155 0.000 0.893 669 L HN 0.290 nan 8.230 nan 0.000 0.432 670 T N 0.362 114.943 114.554 0.046 0.000 2.684 670 T HA -0.195 4.155 4.350 -0.000 0.000 0.267 670 T C 1.952 176.657 174.700 0.008 0.000 1.036 670 T CA 1.373 63.490 62.100 0.030 0.000 1.148 670 T CB -0.281 68.584 68.868 -0.005 0.000 0.863 670 T HN 0.176 nan 8.240 nan 0.000 0.436 671 L N -0.860 120.347 121.223 -0.026 0.000 1.976 671 L HA -0.066 4.274 4.340 -0.000 0.000 0.209 671 L C 2.447 179.282 176.870 -0.059 0.000 1.071 671 L CA 1.650 56.463 54.840 -0.045 0.000 0.746 671 L CB -0.581 41.445 42.059 -0.056 0.000 0.890 671 L HN 0.402 nan 8.230 nan 0.000 0.432 672 W N 1.038 122.127 121.300 -0.352 0.000 2.325 672 W HA -0.179 4.481 4.660 -0.000 0.000 0.299 672 W C 1.540 177.964 176.519 -0.157 0.000 1.215 672 W CA 1.429 58.582 57.345 -0.321 0.000 1.244 672 W CB -0.254 28.882 29.460 -0.540 0.000 1.140 672 W HN -0.080 nan 8.180 nan 0.000 0.523 676 Q N 0.884 120.469 119.800 -0.359 0.000 2.079 676 Q HA -0.040 4.300 4.340 -0.000 0.000 0.200 676 Q C 2.178 178.094 176.000 -0.140 0.000 0.974 676 Q CA 1.490 57.118 55.803 -0.292 0.000 0.840 676 Q CB -0.286 28.258 28.738 -0.324 0.000 0.898 676 Q HN 0.217 nan 8.270 nan 0.000 0.430 677 V N 0.525 120.372 119.914 -0.111 0.000 2.380 677 V HA -0.197 3.923 4.120 -0.000 0.000 0.251 677 V C 2.304 178.405 176.094 0.010 0.000 1.063 677 V CA 1.710 63.980 62.300 -0.050 0.000 1.055 677 V CB -0.590 31.198 31.823 -0.057 0.000 0.657 677 V HN 0.167 nan 8.190 nan 0.000 0.455 678 V N -0.168 119.758 119.914 0.021 0.000 2.878 678 V HA -0.145 3.975 4.120 -0.000 0.000 0.250 678 V C 2.256 178.375 176.094 0.041 0.000 1.075 678 V CA 2.026 64.382 62.300 0.092 0.000 1.096 678 V CB 0.365 32.272 31.823 0.139 0.000 0.724 678 V HN 0.853 nan 8.190 nan 0.000 0.467 679 Q N -0.333 119.458 119.800 -0.014 0.000 2.274 679 Q HA -0.029 4.311 4.340 -0.000 0.000 0.198 679 Q C 2.353 178.340 176.000 -0.021 0.000 0.955 679 Q CA 0.766 56.554 55.803 -0.025 0.000 0.859 679 Q CB -0.500 28.208 28.738 -0.049 0.000 0.956 679 Q HN 0.433 nan 8.270 nan 0.000 0.516 680 R N 0.570 121.047 120.500 -0.038 0.000 2.112 680 R HA 0.158 4.498 4.340 -0.000 0.000 0.216 680 R C 1.221 177.516 176.300 -0.008 0.000 1.080 680 R CA 1.088 57.174 56.100 -0.023 0.000 0.996 680 R CB -0.095 30.184 30.300 -0.036 0.000 0.902 680 R HN 0.346 nan 8.270 nan 0.000 0.449 681 G N -1.454 107.339 108.800 -0.011 0.000 2.882 681 G HA2 -0.049 3.911 3.960 -0.000 0.000 0.164 681 G HA3 -0.049 3.911 3.960 -0.000 0.000 0.164 681 G C 0.674 175.591 174.900 0.027 0.000 1.429 681 G CA 0.289 45.390 45.100 0.002 0.000 1.059 681 G HN 0.169 nan 8.290 nan 0.000 0.581 682 T N -0.344 114.231 114.554 0.035 0.000 2.684 682 T HA -0.063 4.287 4.350 -0.000 0.000 0.267 682 T C 2.100 176.863 174.700 0.106 0.000 1.036 682 T CA 2.228 64.366 62.100 0.063 0.000 1.148 682 T CB -0.947 67.959 68.868 0.062 0.000 0.863 682 T HN 0.563 nan 8.240 nan 0.000 0.436 683 G N 1.304 110.193 108.800 0.148 0.000 3.234 683 G HA2 0.037 3.997 3.960 -0.000 0.000 0.221 683 G HA3 0.037 3.997 3.960 -0.000 0.000 0.221 683 G C 1.385 176.362 174.900 0.128 0.000 1.229 683 G CA 0.092 45.332 45.100 0.233 0.000 0.909 683 G HN 0.754 nan 8.290 nan 0.000 0.510 684 R N 0.046 120.591 120.500 0.076 0.000 2.159 684 R HA -0.185 4.155 4.340 -0.000 0.000 0.237 684 R C 2.046 178.362 176.300 0.027 0.000 1.131 684 R CA 1.374 57.498 56.100 0.040 0.000 0.982 684 R CB -0.583 29.732 30.300 0.025 0.000 0.868 684 R HN 0.522 nan 8.270 nan 0.000 0.453 685 Q N 1.494 121.312 119.800 0.030 0.000 2.181 685 Q HA -0.126 4.214 4.340 -0.000 0.000 0.205 685 Q C 1.901 177.897 176.000 -0.006 0.000 0.980 685 Q CA 1.361 57.166 55.803 0.005 0.000 0.862 685 Q CB 0.003 28.744 28.738 0.005 0.000 0.905 685 Q HN 0.556 nan 8.270 nan 0.000 0.429 686 L N -0.470 120.761 121.223 0.014 0.000 2.202 686 L HA 0.102 4.442 4.340 -0.000 0.000 0.205 686 L C 2.407 179.320 176.870 0.071 0.000 1.083 686 L CA 0.617 55.483 54.840 0.043 0.000 0.790 686 L CB -0.485 41.585 42.059 0.017 0.000 0.942 686 L HN 0.376 nan 8.230 nan 0.000 0.452 687 G N -0.173 108.655 108.800 0.047 0.000 2.501 687 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.220 687 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.220 687 G C 1.621 176.507 174.900 -0.024 0.000 1.114 687 G CA 0.935 46.044 45.100 0.015 0.000 0.757 687 G HN 0.461 nan 8.290 nan 0.000 0.559 688 A N 0.484 123.283 122.820 -0.035 0.000 1.878 688 A HA 0.209 4.529 4.320 -0.000 0.000 0.213 688 A C 2.286 179.787 177.584 -0.138 0.000 1.192 688 A CA 1.369 53.362 52.037 -0.072 0.000 0.619 688 A CB -0.163 18.800 19.000 -0.061 0.000 0.837 688 A HN 0.243 nan 8.150 nan 0.000 0.446 689 K N -1.430 118.851 120.400 -0.198 0.000 2.097 689 K HA -0.080 4.240 4.320 -0.000 0.000 0.205 689 K C -0.456 175.753 176.600 -0.653 0.000 1.050 689 K CA 1.055 57.058 56.287 -0.473 0.000 0.938 689 K CB -0.141 31.976 32.500 -0.638 0.000 0.718 689 K HN 0.623 nan 8.250 nan 0.000 0.442 690 Y N -0.189 120.054 120.300 -0.094 0.000 2.658 690 Y HA 0.231 4.781 4.550 -0.000 0.000 0.362 690 Y C -2.103 173.723 175.900 -0.124 0.000 1.017 690 Y CA -2.108 55.932 58.100 -0.099 0.000 1.134 690 Y CB 1.122 39.523 38.460 -0.098 0.000 1.144 690 Y HN 0.041 nan 8.280 nan 0.000 0.655 691 P HA -0.027 nan 4.420 nan 0.000 0.233 691 P C 0.875 177.968 177.300 -0.345 0.000 1.167 691 P CA 1.158 64.162 63.100 -0.160 0.000 0.770 691 P CB 0.535 32.158 31.700 -0.128 0.000 0.837 692 N N -1.168 117.412 118.700 -0.200 0.000 2.356 692 N HA 0.062 4.801 4.740 -0.000 0.000 0.178 692 N C 1.127 176.621 175.510 -0.026 0.000 1.075 692 N CA 0.287 53.228 53.050 -0.181 0.000 0.889 692 N CB -0.193 38.291 38.487 -0.006 0.000 0.999 692 N HN 0.057 nan 8.380 nan 0.000 0.464 693 L N 0.682 121.910 121.223 0.007 0.000 2.395 693 L HA 0.023 4.363 4.340 -0.000 0.000 0.218 693 L C -0.129 176.842 176.870 0.168 0.000 1.130 693 L CA 0.718 55.617 54.840 0.098 0.000 0.826 693 L CB -1.400 40.691 42.059 0.053 0.000 0.941 693 L HN 0.241 nan 8.230 nan 0.000 0.451 694 H N -1.500 117.603 119.070 0.056 0.000 2.594 694 H HA -0.177 4.379 4.556 -0.000 0.000 0.316 694 H C 0.127 175.476 175.328 0.034 0.000 1.107 694 H CA -0.225 55.842 56.048 0.031 0.000 1.133 694 H CB -1.518 28.258 29.762 0.024 0.000 1.459 694 H HN -0.035 nan 8.280 nan 0.000 0.411 695 L N -0.349 120.951 121.223 0.129 0.000 2.499 695 L HA 0.269 4.609 4.340 -0.000 0.000 0.281 695 L C 1.242 178.171 176.870 0.099 0.000 1.234 695 L CA 0.863 55.783 54.840 0.133 0.000 0.839 695 L CB -0.184 41.987 42.059 0.186 0.000 1.104 695 L HN 0.466 nan 8.230 nan 0.000 0.500 696 A N 1.320 124.186 122.820 0.076 0.000 2.305 696 A HA 0.813 5.132 4.320 -0.000 0.000 0.322 696 A C 0.288 177.889 177.584 0.029 0.000 1.187 696 A CA 0.152 52.205 52.037 0.027 0.000 0.825 696 A CB 1.335 20.335 19.000 0.001 0.000 1.164 696 A HN 0.874 nan 8.150 nan 0.000 0.498 697 G N 0.658 109.447 108.800 -0.019 0.000 2.718 697 G HA2 0.548 4.508 3.960 -0.000 0.000 0.295 697 G HA3 0.548 4.508 3.960 -0.000 0.000 0.295 697 G C -1.480 173.209 174.900 -0.351 0.000 1.421 697 G CA -0.632 44.352 45.100 -0.193 0.000 0.902 697 G HN 0.751 nan 8.290 nan 0.000 0.501 698 K N -0.109 119.890 120.400 -0.668 0.000 2.375 698 K HA 0.762 5.081 4.320 -0.000 0.000 0.249 698 K C -0.545 175.631 176.600 -0.707 0.000 0.942 698 K CA -0.471 55.530 56.287 -0.477 0.000 0.806 698 K CB 2.161 34.561 32.500 -0.168 0.000 1.227 698 K HN 0.443 nan 8.250 nan 0.000 0.430 699 T N 1.426 115.795 114.554 -0.308 0.000 2.829 699 T HA 0.654 5.004 4.350 -0.000 0.000 0.282 699 T C -0.629 174.074 174.700 0.005 0.000 0.990 699 T CA -0.469 61.567 62.100 -0.106 0.000 1.028 699 T CB 0.723 69.632 68.868 0.068 0.000 0.951 699 T HN 0.635 nan 8.240 nan 0.000 0.460 700 G N 2.155 111.036 108.800 0.136 0.000 2.533 700 G HA2 0.554 4.514 3.960 -0.000 0.000 0.310 700 G HA3 0.554 4.514 3.960 -0.000 0.000 0.310 700 G C -0.617 174.484 174.900 0.336 0.000 1.266 700 G CA -0.276 44.968 45.100 0.241 0.000 0.967 700 G HN 0.730 nan 8.290 nan 0.000 0.493 701 T N 0.787 115.489 114.554 0.247 0.000 2.896 701 T HA 0.781 5.131 4.350 -0.000 0.000 0.297 701 T C -0.362 174.462 174.700 0.206 0.000 1.108 701 T CA -0.194 62.039 62.100 0.223 0.000 1.004 701 T CB 2.156 71.112 68.868 0.146 0.000 1.159 701 T HN 0.404 nan 8.240 nan 0.000 0.499 702 T N 2.047 116.713 114.554 0.187 0.000 2.888 702 T HA 0.461 4.811 4.350 -0.000 0.000 0.288 702 T C -0.496 174.276 174.700 0.119 0.000 1.063 702 T CA -0.633 61.568 62.100 0.168 0.000 1.010 702 T CB 1.204 70.198 68.868 0.209 0.000 1.214 702 T HN 0.593 nan 8.240 nan 0.000 0.533 703 N N 2.661 121.425 118.700 0.107 0.000 2.440 703 N HA 0.086 4.826 4.740 -0.000 0.000 0.265 703 N C 0.293 175.846 175.510 0.072 0.000 1.239 703 N CA 0.593 53.693 53.050 0.083 0.000 0.909 703 N CB -0.155 38.381 38.487 0.082 0.000 1.066 703 N HN 0.513 nan 8.380 nan 0.000 0.474 704 N N 2.227 120.960 118.700 0.056 0.000 2.778 704 N HA -0.250 4.489 4.740 -0.000 0.000 0.249 704 N C -1.028 174.511 175.510 0.049 0.000 1.069 704 N CA 0.841 53.918 53.050 0.044 0.000 0.831 704 N CB -1.412 37.099 38.487 0.041 0.000 1.142 704 N HN 0.721 nan 8.380 nan 0.000 0.573 705 N N -1.727 117.011 118.700 0.063 0.000 2.738 705 N HA -0.163 4.577 4.740 -0.000 0.000 0.249 705 N C 0.950 176.487 175.510 0.045 0.000 1.047 705 N CA 1.009 54.095 53.050 0.060 0.000 0.707 705 N CB -1.647 36.869 38.487 0.047 0.000 0.937 705 N HN 0.546 nan 8.380 nan 0.000 0.545 706 V N -3.535 116.423 119.914 0.073 0.000 3.129 706 V HA 0.141 4.261 4.120 -0.000 0.000 0.259 706 V C 0.284 176.439 176.094 0.102 0.000 1.116 706 V CA 1.285 63.631 62.300 0.077 0.000 1.127 706 V CB 0.371 32.253 31.823 0.099 0.000 0.742 706 V HN 0.167 nan 8.190 nan 0.000 0.474 707 D N 1.507 121.987 120.400 0.132 0.000 2.602 707 D HA 0.408 5.048 4.640 -0.000 0.000 0.245 707 D C -0.258 176.086 176.300 0.074 0.000 1.325 707 D CA 0.233 54.337 54.000 0.174 0.000 0.952 707 D CB 2.059 43.148 40.800 0.482 0.000 1.317 707 D HN 0.599 nan 8.370 nan 0.000 0.577 708 T N -1.131 113.266 114.554 -0.262 0.000 2.943 708 T HA 0.779 5.129 4.350 -0.000 0.000 0.284 708 T C -0.485 174.001 174.700 -0.356 0.000 1.015 708 T CA -0.522 61.486 62.100 -0.154 0.000 1.042 708 T CB 1.642 70.403 68.868 -0.179 0.000 1.055 708 T HN 0.317 nan 8.240 nan 0.000 0.500 709 W N 0.263 121.585 121.300 0.036 0.000 3.137 709 W HA 0.699 5.359 4.660 -0.000 0.000 0.324 709 W C -1.611 174.966 176.519 0.096 0.000 1.253 709 W CA -1.125 56.260 57.345 0.066 0.000 1.183 709 W CB 1.945 31.448 29.460 0.072 0.000 1.424 709 W HN 0.805 nan 8.180 nan 0.000 0.566 710 F N 1.676 121.726 119.950 0.165 0.000 2.605 710 F HA 0.695 5.221 4.527 -0.000 0.000 0.320 710 F C -0.843 174.828 175.800 -0.214 0.000 1.159 710 F CA -0.880 57.095 58.000 -0.041 0.000 0.999 710 F CB 1.021 39.965 39.000 -0.093 0.000 1.258 710 F HN 0.414 nan 8.300 nan 0.000 0.464 711 A N 3.805 126.181 122.820 -0.741 0.000 2.271 711 A HA 0.789 5.109 4.320 -0.000 0.000 0.317 711 A C -0.278 176.910 177.584 -0.660 0.000 1.245 711 A CA -0.097 51.491 52.037 -0.749 0.000 0.857 711 A CB 0.546 18.720 19.000 -1.377 0.000 1.175 711 A HN 1.086 nan 8.150 nan 0.000 0.512 712 G N 1.195 109.754 108.800 -0.403 0.000 2.513 712 G HA2 0.596 4.556 3.960 -0.000 0.000 0.317 712 G HA3 0.596 4.556 3.960 -0.000 0.000 0.317 712 G C -0.921 173.945 174.900 -0.057 0.000 1.277 712 G CA -0.451 44.538 45.100 -0.186 0.000 0.955 712 G HN 0.644 nan 8.290 nan 0.000 0.484 713 I N 2.919 123.515 120.570 0.044 0.000 2.448 713 I HA 0.226 4.396 4.170 -0.000 0.000 0.281 713 I C -0.597 175.579 176.117 0.098 0.000 1.027 713 I CA -0.917 60.413 61.300 0.051 0.000 1.111 713 I CB 1.664 39.675 38.000 0.017 0.000 1.236 713 I HN 0.608 nan 8.210 nan 0.000 0.452 714 D N 4.585 125.055 120.400 0.116 0.000 2.478 714 D HA 0.159 4.799 4.640 -0.000 0.000 0.274 714 D C 1.463 177.817 176.300 0.089 0.000 1.234 714 D CA -0.476 53.590 54.000 0.109 0.000 1.069 714 D CB 0.504 41.369 40.800 0.108 0.000 1.113 714 D HN 0.451 nan 8.370 nan 0.000 0.571 715 G N -1.403 107.459 108.800 0.103 0.000 2.479 715 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.220 715 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.220 715 G C 1.111 176.100 174.900 0.148 0.000 1.115 715 G CA 1.412 46.586 45.100 0.124 0.000 0.757 715 G HN 0.594 nan 8.290 nan 0.000 0.560 716 S N -1.799 113.973 115.700 0.119 0.000 2.687 716 S HA 0.301 4.771 4.470 -0.000 0.000 0.247 716 S C 0.571 175.227 174.600 0.093 0.000 1.050 716 S CA 0.643 58.928 58.200 0.143 0.000 1.063 716 S CB 0.674 63.955 63.200 0.135 0.000 1.039 716 S HN 0.601 nan 8.310 nan 0.000 0.580 717 T N -1.174 113.417 114.554 0.061 0.000 2.787 717 T HA 0.743 5.093 4.350 -0.000 0.000 0.297 717 T C -1.235 173.482 174.700 0.028 0.000 1.221 717 T CA -0.721 61.409 62.100 0.050 0.000 1.006 717 T CB 1.552 70.475 68.868 0.093 0.000 1.328 717 T HN 0.028 nan 8.240 nan 0.000 0.509 718 V N 1.118 121.043 119.914 0.017 0.000 2.628 718 V HA 0.740 4.859 4.120 -0.000 0.000 0.306 718 V C -0.483 175.598 176.094 -0.022 0.000 1.045 718 V CA -0.600 61.697 62.300 -0.004 0.000 0.905 718 V CB 2.125 33.952 31.823 0.007 0.000 0.997 718 V HN 1.190 nan 8.190 nan 0.000 0.436 719 T N 5.499 119.999 114.554 -0.090 0.000 3.008 719 T HA 0.485 4.835 4.350 -0.000 0.000 0.328 719 T C -0.634 173.931 174.700 -0.224 0.000 1.020 719 T CA -0.322 61.682 62.100 -0.162 0.000 1.043 719 T CB 0.561 69.334 68.868 -0.158 0.000 1.010 719 T HN 0.239 nan 8.240 nan 0.000 0.466 720 I N 3.549 124.045 120.570 -0.123 0.000 2.325 720 I HA 0.343 4.513 4.170 -0.000 0.000 0.291 720 I C 0.487 176.620 176.117 0.027 0.000 1.019 720 I CA -0.393 60.881 61.300 -0.044 0.000 1.302 720 I CB 0.755 38.792 38.000 0.061 0.000 1.401 720 I HN 0.531 nan 8.210 nan 0.000 0.485 721 T N 6.403 121.000 114.554 0.072 0.000 2.791 721 T HA 0.287 4.637 4.350 -0.000 0.000 0.288 721 T C -0.874 173.884 174.700 0.096 0.000 0.999 721 T CA -0.459 61.680 62.100 0.065 0.000 0.952 721 T CB 0.941 69.823 68.868 0.023 0.000 0.938 721 T HN 0.556 nan 8.240 nan 0.000 0.444 722 W N 4.423 125.576 121.300 -0.245 0.000 2.632 722 W HA 0.685 5.345 4.660 -0.000 0.000 0.328 722 W C -1.808 174.452 176.519 -0.432 0.000 1.044 722 W CA -0.705 56.244 57.345 -0.660 0.000 1.225 722 W CB 1.062 29.865 29.460 -1.096 0.000 1.396 722 W HN 0.411 nan 8.180 nan 0.000 0.499 723 V N 6.294 125.298 119.914 -1.518 0.000 2.577 723 V HA 0.961 5.081 4.120 -0.000 0.000 0.303 723 V C 0.093 175.075 176.094 -1.853 0.000 1.042 723 V CA -0.396 61.015 62.300 -1.482 0.000 0.872 723 V CB 1.058 32.477 31.823 -0.674 0.000 0.998 723 V HN 0.894 nan 8.190 nan 0.000 0.423 724 G N 3.566 111.279 108.800 -1.812 0.000 2.547 724 G HA2 0.494 4.454 3.960 -0.000 0.000 0.291 724 G HA3 0.494 4.454 3.960 -0.000 0.000 0.291 724 G C -1.537 173.228 174.900 -0.225 0.000 1.471 724 G CA -1.033 43.625 45.100 -0.736 0.000 0.798 724 G HN 0.518 nan 8.290 nan 0.000 0.504 725 R N -0.034 120.467 120.500 0.001 0.000 2.539 725 R HA 0.220 4.560 4.340 -0.000 0.000 0.275 725 R C 0.291 176.703 176.300 0.188 0.000 1.077 725 R CA -0.614 55.530 56.100 0.074 0.000 1.097 725 R CB 0.962 31.287 30.300 0.041 0.000 1.018 725 R HN 0.490 nan 8.270 nan 0.000 0.483 726 D N 1.255 121.757 120.400 0.170 0.000 2.218 726 D HA -0.136 4.504 4.640 -0.000 0.000 0.204 726 D C 1.015 177.378 176.300 0.105 0.000 0.976 726 D CA 1.290 55.392 54.000 0.169 0.000 0.853 726 D CB 0.102 40.975 40.800 0.123 0.000 0.939 726 D HN 0.522 nan 8.370 nan 0.000 0.481 727 N N -0.437 118.312 118.700 0.080 0.000 2.230 727 N HA -0.029 4.711 4.740 -0.000 0.000 0.202 727 N C 0.034 175.581 175.510 0.062 0.000 1.119 727 N CA 0.026 53.109 53.050 0.054 0.000 0.851 727 N CB -0.305 38.203 38.487 0.035 0.000 0.990 727 N HN 0.047 nan 8.380 nan 0.000 0.497 728 N N -0.779 117.975 118.700 0.091 0.000 2.900 728 N HA -0.179 4.561 4.740 -0.000 0.000 0.240 728 N C -0.870 174.681 175.510 0.069 0.000 0.953 728 N CA 0.736 53.843 53.050 0.095 0.000 0.950 728 N CB -0.999 37.538 38.487 0.084 0.000 1.102 728 N HN 0.412 nan 8.380 nan 0.000 0.593 729 Q N 1.202 121.034 119.800 0.052 0.000 2.333 729 Q HA 0.125 4.465 4.340 -0.000 0.000 0.299 729 Q C -2.093 173.928 176.000 0.035 0.000 1.067 729 Q CA -0.346 55.480 55.803 0.038 0.000 0.943 729 Q CB -0.088 28.667 28.738 0.028 0.000 1.233 729 Q HN 0.236 nan 8.270 nan 0.000 0.401 730 P HA 0.011 nan 4.420 nan 0.000 0.271 730 P C 0.617 177.925 177.300 0.015 0.000 1.216 730 P CA 0.065 63.182 63.100 0.029 0.000 0.776 730 P CB 0.481 32.200 31.700 0.031 0.000 0.881 731 T N -0.901 113.655 114.554 0.003 0.000 3.055 731 T HA -0.037 4.313 4.350 -0.000 0.000 0.265 731 T C 0.843 175.545 174.700 0.003 0.000 1.111 731 T CA 0.319 62.407 62.100 -0.019 0.000 1.118 731 T CB -0.673 68.158 68.868 -0.061 0.000 0.909 731 T HN 0.342 nan 8.240 nan 0.000 0.501 732 K N -1.127 119.291 120.400 0.030 0.000 3.500 732 K HA -0.096 4.224 4.320 -0.000 0.000 0.313 732 K C -0.301 176.375 176.600 0.127 0.000 1.338 732 K CA 0.471 56.797 56.287 0.065 0.000 0.963 732 K CB -2.231 30.301 32.500 0.054 0.000 1.267 732 K HN 0.325 nan 8.250 nan 0.000 0.448 733 L N 0.500 121.778 121.223 0.091 0.000 2.473 733 L HA 0.064 4.404 4.340 -0.000 0.000 0.268 733 L C 0.780 177.823 176.870 0.288 0.000 1.215 733 L CA 0.451 55.366 54.840 0.126 0.000 0.823 733 L CB -0.071 42.000 42.059 0.019 0.000 1.099 733 L HN 0.026 nan 8.230 nan 0.000 0.483 734 Y N 2.355 122.644 120.300 -0.018 0.000 2.930 734 Y HA 0.420 4.970 4.550 -0.000 0.000 0.386 734 Y C 1.177 177.080 175.900 0.006 0.000 1.185 734 Y CA -0.041 58.055 58.100 -0.005 0.000 1.922 734 Y CB -0.686 37.770 38.460 -0.007 0.000 2.006 734 Y HN 0.756 nan 8.280 nan 0.000 0.431 735 G N 1.083 109.967 108.800 0.139 0.000 2.512 735 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.254 735 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.254 735 G C 1.013 175.973 174.900 0.100 0.000 1.199 735 G CA -0.065 45.096 45.100 0.102 0.000 0.941 735 G HN 0.676 nan 8.290 nan 0.000 0.569 736 A N 0.074 122.967 122.820 0.121 0.000 2.258 736 A HA 0.450 4.770 4.320 -0.000 0.000 0.206 736 A C 2.371 180.030 177.584 0.125 0.000 1.222 736 A CA 2.220 54.345 52.037 0.148 0.000 0.822 736 A CB -0.734 18.393 19.000 0.213 0.000 0.804 736 A HN 2.207 nan 8.150 nan 0.000 0.483 737 S N -1.263 114.490 115.700 0.089 0.000 2.527 737 S HA 0.123 4.593 4.470 -0.000 0.000 0.222 737 S C 1.749 176.345 174.600 -0.008 0.000 0.985 737 S CA 0.949 59.179 58.200 0.050 0.000 0.921 737 S CB -0.317 62.924 63.200 0.069 0.000 0.772 737 S HN 0.497 nan 8.310 nan 0.000 0.529 738 G N 1.946 110.732 108.800 -0.022 0.000 2.454 738 G HA2 0.335 4.295 3.960 -0.000 0.000 0.214 738 G HA3 0.335 4.295 3.960 -0.000 0.000 0.214 738 G C 0.856 175.705 174.900 -0.085 0.000 1.217 738 G CA 0.365 45.417 45.100 -0.080 0.000 0.799 738 G HN 0.833 nan 8.290 nan 0.000 0.538 742 I N 2.072 122.634 120.570 -0.013 0.000 2.193 742 I HA 0.132 4.302 4.170 -0.000 0.000 0.240 742 I C 2.196 178.362 176.117 0.081 0.000 1.084 742 I CA 1.506 62.816 61.300 0.015 0.000 1.365 742 I CB -0.918 37.081 38.000 -0.003 0.000 1.064 742 I HN 0.498 nan 8.210 nan 0.000 0.410 743 Y N 1.450 121.707 120.300 -0.071 0.000 2.081 743 Y HA -0.347 4.203 4.550 -0.000 0.000 0.280 743 Y C 2.708 178.599 175.900 -0.015 0.000 1.163 743 Y CA 2.142 60.202 58.100 -0.066 0.000 1.135 743 Y CB -0.833 37.518 38.460 -0.183 0.000 0.970 743 Y HN 0.236 nan 8.280 nan 0.000 0.498 744 Q N 0.872 120.586 119.800 -0.143 0.000 2.096 744 Q HA -0.276 4.064 4.340 -0.000 0.000 0.208 744 Q C 2.333 178.294 176.000 -0.065 0.000 0.993 744 Q CA 2.356 58.081 55.803 -0.129 0.000 0.862 744 Q CB -0.325 28.406 28.738 -0.012 0.000 0.915 744 Q HN 0.569 nan 8.270 nan 0.000 0.416 745 R N -0.860 119.628 120.500 -0.020 0.000 2.088 745 R HA -0.208 4.132 4.340 -0.000 0.000 0.232 745 R C 2.396 178.690 176.300 -0.011 0.000 1.136 745 R CA 1.811 57.910 56.100 -0.003 0.000 0.926 745 R CB -0.973 29.334 30.300 0.012 0.000 0.837 745 R HN 0.417 nan 8.270 nan 0.000 0.429 746 Y N 1.462 121.699 120.300 -0.105 0.000 2.139 746 Y HA -0.282 4.267 4.550 -0.000 0.000 0.282 746 Y C 2.067 177.847 175.900 -0.200 0.000 1.179 746 Y CA 1.421 59.459 58.100 -0.104 0.000 1.161 746 Y CB -0.273 38.170 38.460 -0.028 0.000 0.970 746 Y HN 0.010 nan 8.280 nan 0.000 0.511 747 L N 0.429 121.506 121.223 -0.244 0.000 2.127 747 L HA -0.131 4.209 4.340 -0.000 0.000 0.211 747 L C 2.400 179.017 176.870 -0.421 0.000 1.089 747 L CA 2.051 56.569 54.840 -0.537 0.000 0.757 747 L CB -1.282 40.186 42.059 -0.986 0.000 0.899 747 L HN 0.430 nan 8.230 nan 0.000 0.434 748 A N -1.918 120.785 122.820 -0.195 0.000 2.095 748 A HA 0.020 4.340 4.320 -0.000 0.000 0.212 748 A C 1.806 179.324 177.584 -0.111 0.000 1.162 748 A CA 0.337 52.343 52.037 -0.051 0.000 0.753 748 A CB -0.350 18.693 19.000 0.071 0.000 0.840 748 A HN 0.410 nan 8.150 nan 0.000 0.468 749 N N 0.242 118.841 118.700 -0.168 0.000 2.573 749 N HA -0.028 4.712 4.740 -0.000 0.000 0.187 749 N C 0.512 175.901 175.510 -0.201 0.000 1.107 749 N CA 1.190 54.144 53.050 -0.160 0.000 0.918 749 N CB 0.006 38.405 38.487 -0.147 0.000 0.966 749 N HN 0.876 nan 8.380 nan 0.000 0.448 750 Q N -2.668 116.972 119.800 -0.267 0.000 2.893 750 Q HA 0.418 4.758 4.340 -0.000 0.000 0.331 750 Q C -0.751 175.128 176.000 -0.203 0.000 0.893 750 Q CA -0.999 54.658 55.803 -0.244 0.000 0.783 750 Q CB 0.689 29.223 28.738 -0.341 0.000 1.440 750 Q HN -0.092 nan 8.270 nan 0.000 0.508 751 T N 0.630 115.089 114.554 -0.159 0.000 2.912 751 T HA 0.653 5.003 4.350 -0.000 0.000 0.326 751 T C -2.577 172.065 174.700 -0.097 0.000 1.080 751 T CA -1.858 60.176 62.100 -0.110 0.000 1.000 751 T CB 0.550 69.376 68.868 -0.070 0.000 1.008 751 T HN 0.434 nan 8.240 nan 0.000 0.473 752 P HA 0.280 nan 4.420 nan 0.000 0.274 752 P C 0.006 177.299 177.300 -0.011 0.000 1.231 752 P CA -0.262 62.796 63.100 -0.071 0.000 0.790 752 P CB 0.537 32.161 31.700 -0.126 0.000 0.951 753 T N -0.541 114.029 114.554 0.027 0.000 2.889 753 T HA 0.492 4.842 4.350 -0.000 0.000 0.291 753 T C -2.551 172.191 174.700 0.070 0.000 0.995 753 T CA -2.179 59.955 62.100 0.056 0.000 1.092 753 T CB 0.378 69.290 68.868 0.074 0.000 0.954 753 T HN 0.108 nan 8.240 nan 0.000 0.506 754 P HA 0.262 nan 4.420 nan 0.000 0.274 754 P C -0.670 176.706 177.300 0.126 0.000 1.231 754 P CA -0.823 62.349 63.100 0.120 0.000 0.790 754 P CB 0.374 32.164 31.700 0.151 0.000 0.951 755 L N 3.022 124.331 121.223 0.143 0.000 2.356 755 L HA 0.294 4.634 4.340 -0.000 0.000 0.282 755 L C -0.178 176.753 176.870 0.100 0.000 1.132 755 L CA 0.115 55.029 54.840 0.124 0.000 0.923 755 L CB -1.212 40.917 42.059 0.117 0.000 1.278 755 L HN 0.227 nan 8.230 nan 0.000 0.436 756 N N 4.796 123.546 118.700 0.085 0.000 2.439 756 N HA 0.143 4.883 4.740 -0.000 0.000 0.249 756 N C -1.133 174.430 175.510 0.088 0.000 1.003 756 N CA -0.437 52.640 53.050 0.044 0.000 0.942 756 N CB 1.150 39.657 38.487 0.034 0.000 1.115 756 N HN 0.586 nan 8.380 nan 0.000 0.505 757 L N 5.833 127.119 121.223 0.106 0.000 2.315 757 L HA 0.299 4.639 4.340 -0.000 0.000 0.278 757 L C -0.575 176.443 176.870 0.246 0.000 1.088 757 L CA -0.514 54.442 54.840 0.192 0.000 0.899 757 L CB 0.733 42.914 42.059 0.205 0.000 1.277 757 L HN 0.213 nan 8.230 nan 0.000 0.431 758 V N 6.578 126.594 119.914 0.171 0.000 2.529 758 V HA 0.186 4.306 4.120 -0.000 0.000 0.292 758 V C -1.733 174.396 176.094 0.059 0.000 1.028 758 V CA -0.966 61.393 62.300 0.098 0.000 1.074 758 V CB 0.299 32.154 31.823 0.053 0.000 0.958 758 V HN 0.642 nan 8.190 nan 0.000 0.481 759 P HA 0.437 nan 4.420 nan 0.000 0.282 759 P C -2.549 174.528 177.300 -0.371 0.000 1.249 759 P CA -1.600 61.170 63.100 -0.550 0.000 0.806 759 P CB 0.237 31.530 31.700 -0.678 0.000 0.984 760 P HA 0.068 nan 4.420 nan 0.000 0.274 760 P C -0.142 176.997 177.300 -0.268 0.000 1.260 760 P CA -0.293 62.638 63.100 -0.281 0.000 0.793 760 P CB 0.235 31.749 31.700 -0.311 0.000 1.048 761 E N 0.463 120.551 120.200 -0.188 0.000 2.404 761 E HA 0.004 4.354 4.350 -0.000 0.000 0.261 761 E C -0.216 176.299 176.600 -0.141 0.000 1.074 761 E CA 0.010 56.328 56.400 -0.136 0.000 0.917 761 E CB -0.296 29.355 29.700 -0.081 0.000 0.965 761 E HN 0.385 nan 8.360 nan 0.000 0.433 762 D N -0.582 119.778 120.400 -0.067 0.000 3.099 762 D HA -0.109 4.531 4.640 -0.000 0.000 0.213 762 D C -0.636 175.681 176.300 0.029 0.000 1.121 762 D CA 0.587 54.607 54.000 0.034 0.000 0.951 762 D CB -0.943 39.959 40.800 0.170 0.000 1.102 762 D HN 0.368 nan 8.370 nan 0.000 0.423 763 I N 0.661 121.164 120.570 -0.112 0.000 2.330 763 I HA 0.621 4.791 4.170 -0.000 0.000 0.289 763 I C 0.668 176.723 176.117 -0.103 0.000 1.001 763 I CA -1.093 60.125 61.300 -0.138 0.000 1.193 763 I CB 0.947 38.730 38.000 -0.362 0.000 1.345 763 I HN 0.025 nan 8.210 nan 0.000 0.461 764 A N 5.879 128.660 122.820 -0.066 0.000 2.331 764 A HA 0.667 4.987 4.320 -0.000 0.000 0.320 764 A C -0.297 177.240 177.584 -0.078 0.000 1.138 764 A CA -0.645 51.349 52.037 -0.073 0.000 0.790 764 A CB 1.107 20.058 19.000 -0.082 0.000 1.206 764 A HN 0.599 nan 8.150 nan 0.000 0.470 768 V N -0.835 119.164 119.914 0.142 0.000 2.994 768 V HA 0.922 5.042 4.120 -0.000 0.000 0.318 768 V C 0.267 176.396 176.094 0.059 0.000 1.085 768 V CA -0.513 61.805 62.300 0.031 0.000 0.998 768 V CB 1.719 33.452 31.823 -0.151 0.000 1.063 768 V HN 0.915 nan 8.190 nan 0.000 0.447 769 D N 0.503 120.935 120.400 0.052 0.000 2.446 769 D HA 0.139 4.779 4.640 -0.000 0.000 0.288 769 D C 0.945 177.343 176.300 0.163 0.000 1.195 769 D CA -0.009 54.057 54.000 0.110 0.000 1.095 769 D CB -0.056 40.811 40.800 0.111 0.000 1.153 769 D HN 0.525 nan 8.370 nan 0.000 0.568 770 Y N -0.019 120.320 120.300 0.066 0.000 2.243 770 Y HA 0.036 4.586 4.550 -0.000 0.000 0.293 770 Y C 0.992 176.983 175.900 0.152 0.000 1.124 770 Y CA 1.362 59.517 58.100 0.091 0.000 1.159 770 Y CB -0.416 38.088 38.460 0.074 0.000 1.008 770 Y HN 0.249 nan 8.280 nan 0.000 0.527 771 D N -0.321 120.108 120.400 0.049 0.000 2.378 771 D HA 0.133 4.773 4.640 -0.000 0.000 0.227 771 D C 1.608 178.049 176.300 0.235 0.000 1.012 771 D CA 1.064 55.097 54.000 0.055 0.000 0.905 771 D CB -0.418 40.416 40.800 0.056 0.000 0.895 771 D HN 0.469 nan 8.370 nan 0.000 0.532 772 G N 0.403 109.259 108.800 0.093 0.000 2.147 772 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.244 772 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.244 772 G C -0.197 174.586 174.900 -0.196 0.000 1.005 772 G CA -0.430 44.621 45.100 -0.081 0.000 0.713 772 G HN 0.246 nan 8.290 nan 0.000 0.515 773 N N -0.028 118.623 118.700 -0.082 0.000 2.518 773 N HA 0.547 5.287 4.740 -0.000 0.000 0.283 773 N C 0.263 175.708 175.510 -0.107 0.000 1.119 773 N CA -0.423 52.558 53.050 -0.115 0.000 0.983 773 N CB 0.447 38.943 38.487 0.014 0.000 1.139 773 N HN 0.024 nan 8.380 nan 0.000 0.465 774 F N 0.584 120.544 119.950 0.016 0.000 2.563 774 F HA 0.099 4.626 4.527 -0.000 0.000 0.363 774 F C 1.056 176.868 175.800 0.019 0.000 1.123 774 F CA -0.433 57.572 58.000 0.009 0.000 1.307 774 F CB 0.262 39.258 39.000 -0.006 0.000 1.115 774 F HN 0.117 nan 8.300 nan 0.000 0.592 775 V N 0.272 120.331 119.914 0.241 0.000 2.823 775 V HA 0.371 4.491 4.120 -0.000 0.000 0.312 775 V C 0.265 176.420 176.094 0.102 0.000 1.072 775 V CA -1.367 61.016 62.300 0.139 0.000 0.937 775 V CB 0.635 32.521 31.823 0.106 0.000 1.013 775 V HN 1.002 nan 8.190 nan 0.000 0.430 776 C N 1.882 121.223 119.300 0.069 0.000 2.437 776 C HA 0.070 4.530 4.460 -0.000 0.000 0.284 776 C C 1.688 176.701 174.990 0.038 0.000 1.208 776 C CA 1.180 60.223 59.018 0.041 0.000 1.764 776 C CB -1.550 26.209 27.740 0.032 0.000 2.039 776 C HN 1.262 nan 8.230 nan 0.000 0.444 777 S N -0.011 115.713 115.700 0.040 0.000 2.704 777 S HA 0.638 5.108 4.470 -0.000 0.000 0.305 777 S C 0.353 174.982 174.600 0.049 0.000 1.107 777 S CA 0.496 58.720 58.200 0.039 0.000 0.993 777 S CB 1.161 64.379 63.200 0.031 0.000 1.110 777 S HN 2.191 nan 8.310 nan 0.000 0.534 778 G N 0.596 109.425 108.800 0.048 0.000 2.527 778 G HA2 0.316 4.275 3.960 -0.000 0.000 0.268 778 G HA3 0.316 4.275 3.960 -0.000 0.000 0.268 778 G C 0.815 175.756 174.900 0.067 0.000 1.175 778 G CA 0.315 45.447 45.100 0.053 0.000 0.962 778 G HN 2.841 nan 8.290 nan 0.000 0.560 782 I N 4.775 125.426 120.570 0.134 0.000 2.377 782 I HA 0.441 4.611 4.170 -0.000 0.000 0.293 782 I C -0.899 175.288 176.117 0.116 0.000 0.987 782 I CA -0.951 60.423 61.300 0.123 0.000 1.185 782 I CB 1.590 39.662 38.000 0.120 0.000 1.341 782 I HN 0.290 nan 8.210 nan 0.000 0.455 783 L N 8.349 129.595 121.223 0.038 0.000 2.422 783 L HA 0.535 4.875 4.340 -0.000 0.000 0.264 783 L C -2.513 174.230 176.870 -0.213 0.000 0.984 783 L CA -2.421 52.335 54.840 -0.139 0.000 0.819 783 L CB 1.933 43.970 42.059 -0.036 0.000 1.330 783 L HN 0.244 nan 8.230 nan 0.000 0.410 784 P HA 0.215 nan 4.420 nan 0.000 0.273 784 P C -0.519 176.705 177.300 -0.127 0.000 1.428 784 P CA -0.181 62.728 63.100 -0.319 0.000 0.995 784 P CB 0.397 31.806 31.700 -0.486 0.000 1.286 785 V N 4.038 123.918 119.914 -0.057 0.000 2.607 785 V HA 0.229 4.349 4.120 -0.000 0.000 0.289 785 V C -0.118 176.029 176.094 0.088 0.000 1.053 785 V CA -0.444 61.856 62.300 -0.000 0.000 0.996 785 V CB 1.038 32.762 31.823 -0.166 0.000 0.995 785 V HN 0.539 nan 8.190 nan 0.000 0.476 786 W N 5.745 127.003 121.300 -0.070 0.000 2.288 786 W HA 0.653 5.313 4.660 -0.000 0.000 0.325 786 W C -0.182 176.293 176.519 -0.073 0.000 1.019 786 W CA -0.643 56.664 57.345 -0.064 0.000 1.403 786 W CB 0.567 30.014 29.460 -0.021 0.000 1.226 786 W HN 0.669 nan 8.180 nan 0.000 0.391 787 T N 3.001 117.692 114.554 0.228 0.000 2.889 787 T HA 0.373 4.723 4.350 -0.000 0.000 0.315 787 T C -0.009 174.727 174.700 0.060 0.000 1.291 787 T CA -0.470 61.632 62.100 0.004 0.000 1.028 787 T CB 1.198 70.004 68.868 -0.102 0.000 1.235 787 T HN 0.090 nan 8.240 nan 0.000 0.491 788 S N 2.688 118.394 115.700 0.010 0.000 2.597 788 S HA 0.301 4.771 4.470 -0.000 0.000 0.224 788 S C -0.076 174.513 174.600 -0.018 0.000 0.955 788 S CA -0.363 57.848 58.200 0.018 0.000 0.933 788 S CB -0.371 62.841 63.200 0.020 0.000 0.788 788 S HN 0.806 nan 8.310 nan 0.000 0.488 789 D N 0.738 121.113 120.400 -0.042 0.000 2.266 789 D HA 0.031 4.671 4.640 -0.000 0.000 0.174 789 D C -3.544 172.706 176.300 -0.082 0.000 1.096 789 D CA -0.677 53.291 54.000 -0.053 0.000 0.853 789 D CB 1.120 41.894 40.800 -0.043 0.000 3.128 789 D HN -0.163 nan 8.370 nan 0.000 0.484 790 P HA 0.183 nan 4.420 nan 0.000 0.218 790 P C 0.326 177.581 177.300 -0.076 0.000 1.793 790 P CA 0.088 63.119 63.100 -0.114 0.000 0.941 790 P CB 0.285 31.915 31.700 -0.117 0.000 1.919 791 Q N -0.066 119.696 119.800 -0.064 0.000 2.360 791 Q HA 0.017 4.356 4.340 -0.000 0.000 0.202 791 Q C 1.895 177.868 176.000 -0.046 0.000 0.915 791 Q CA 0.555 56.332 55.803 -0.043 0.000 0.943 791 Q CB -0.348 28.370 28.738 -0.033 0.000 1.064 791 Q HN 0.065 nan 8.270 nan 0.000 0.511 792 S N 0.163 115.816 115.700 -0.080 0.000 2.359 792 S HA -0.215 4.255 4.470 -0.000 0.000 0.222 792 S C 1.716 176.289 174.600 -0.046 0.000 1.038 792 S CA 1.547 59.693 58.200 -0.090 0.000 1.051 792 S CB -0.620 62.455 63.200 -0.208 0.000 0.944 792 S HN 0.687 nan 8.310 nan 0.000 0.433 793 L N 1.072 122.243 121.223 -0.087 0.000 2.085 793 L HA -0.243 4.097 4.340 -0.000 0.000 0.218 793 L C 2.203 179.094 176.870 0.035 0.000 1.080 793 L CA 2.566 57.402 54.840 -0.007 0.000 0.776 793 L CB -0.794 41.244 42.059 -0.035 0.000 0.891 793 L HN 0.586 nan 8.230 nan 0.000 0.437 794 C N -0.843 118.463 119.300 0.011 0.000 2.533 794 C HA -0.022 4.438 4.460 -0.000 0.000 0.272 794 C C 2.556 177.560 174.990 0.023 0.000 1.371 794 C CA 0.391 59.420 59.018 0.018 0.000 1.758 794 C CB -0.768 26.975 27.740 0.005 0.000 1.972 794 C HN 0.668 nan 8.230 nan 0.000 0.522 795 Q N 0.931 120.745 119.800 0.023 0.000 2.083 795 Q HA -0.159 4.180 4.340 -0.000 0.000 0.198 795 Q C 2.128 178.156 176.000 0.048 0.000 0.969 795 Q CA 1.282 57.102 55.803 0.027 0.000 0.838 795 Q CB -0.149 28.601 28.738 0.020 0.000 0.900 795 Q HN 0.600 nan 8.270 nan 0.000 0.436 796 Q N -0.060 119.788 119.800 0.079 0.000 2.364 796 Q HA 0.003 4.343 4.340 -0.000 0.000 0.207 796 Q C 1.015 177.062 176.000 0.079 0.000 0.970 796 Q CA 0.641 56.506 55.803 0.104 0.000 0.888 796 Q CB 0.261 29.115 28.738 0.194 0.000 0.951 796 Q HN 0.157 nan 8.270 nan 0.000 0.469 797 S N 1.310 117.048 115.700 0.064 0.000 2.768 797 S HA 0.074 4.544 4.470 -0.000 0.000 0.246 797 S C -0.304 174.319 174.600 0.038 0.000 1.006 797 S CA 0.036 58.267 58.200 0.051 0.000 1.075 797 S CB -0.068 63.160 63.200 0.046 0.000 0.786 797 S HN 0.316 nan 8.310 nan 0.000 0.468 798 E N 0.000 120.221 120.200 0.036 0.000 2.725 798 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 798 E CA 0.000 56.416 56.400 0.027 0.000 0.976 798 E CB 0.000 29.712 29.700 0.020 0.000 0.812 798 E HN 0.000 nan 8.360 nan 0.000 0.440