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 1e9s_1_H DATA FIRST_RESID 72 DATA SEQUENCE NSVGQGEFGG APFKRFLRGT RIVSGGKLKR MTREKAKQVT VAGVPMPRDA DATA SEQUENCE EPRHLLVNGA TGTGKSVLLR ELAYTGLLRG DRMVIVDPNG DMLSKFGRDK DATA SEQUENCE DIILNPYDQR TKGWSFFNEI RNDYDWQRYA LSVVPRGKTD EAEEWASYGR DATA SEQUENCE LLLRETAKKL ALIGTPSMRE LFHWTTIATF DDLRGFLEGT LAESLFAGSN DATA SEQUENCE EASKALTSAR FVLSDKLPEH VTMPDGDFSI RSWLEDPNGG NLFITWREDM DATA SEQUENCE GPALRPLISA WVDVVCTSIL SLPEEPKRRL WLFIDELASL EKLASLADAL DATA SEQUENCE TKGRKAGLRV VAGLQSTSQL DDVYGVKEAQ TLRASFRSLV VLGGSRTDPK DATA SEQUENCE TNEDMSLSLG EHEVERDRYX XXXXXXXXXX RALERVRERV VMPAEIANLP DATA SEQUENCE DLTAYVGFAG NRPIAKVPLE IKQFANRQPA FVEGT 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 72 N HA 0.000 nan 4.740 nan 0.000 0.220 72 N C 0.000 175.513 175.510 0.005 0.000 1.280 72 N CA 0.000 53.100 53.050 0.083 0.000 0.885 72 N CB 0.000 38.575 38.487 0.147 0.000 1.341 73 S N -1.073 114.600 115.700 -0.045 0.000 2.327 73 S HA 0.084 4.554 4.470 0.000 0.000 0.213 73 S C 1.029 175.526 174.600 -0.172 0.000 1.032 73 S CA 0.531 58.685 58.200 -0.075 0.000 0.960 73 S CB -0.146 63.023 63.200 -0.052 0.000 0.900 73 S HN 0.126 nan 8.310 nan 0.000 0.469 74 V N 2.674 122.409 119.914 -0.299 0.000 2.928 74 V HA 0.430 4.551 4.120 0.000 0.000 0.307 74 V C 1.323 176.960 176.094 -0.763 0.000 1.105 74 V CA 0.956 62.948 62.300 -0.514 0.000 1.223 74 V CB -0.363 31.066 31.823 -0.657 0.000 0.930 74 V HN 1.116 nan 8.190 nan 0.000 0.499 75 G N 2.777 111.304 108.800 -0.454 0.000 2.526 75 G HA2 -0.144 3.816 3.960 0.000 0.000 0.225 75 G HA3 -0.144 3.816 3.960 0.000 0.000 0.225 75 G C -0.248 174.695 174.900 0.071 0.000 1.120 75 G CA 0.168 45.226 45.100 -0.069 0.000 0.904 75 G HN 0.716 nan 8.290 nan 0.000 0.498 76 Q N -0.150 119.672 119.800 0.038 0.000 2.668 76 Q HA 0.464 4.804 4.340 0.000 0.000 0.441 76 Q C 2.215 178.259 176.000 0.074 0.000 1.115 76 Q CA 1.406 57.233 55.803 0.041 0.000 0.690 76 Q CB -0.204 28.546 28.738 0.020 0.000 4.428 76 Q HN 0.761 nan 8.270 nan 0.000 0.367 77 G N -0.572 108.259 108.800 0.051 0.000 3.374 77 G HA2 0.023 3.983 3.960 0.000 0.000 0.252 77 G HA3 0.023 3.983 3.960 0.000 0.000 0.252 77 G C -0.005 174.934 174.900 0.066 0.000 1.326 77 G CA 0.158 45.285 45.100 0.045 0.000 1.133 77 G HN 0.347 nan 8.290 nan 0.000 0.528 78 E N -0.534 119.738 120.200 0.119 0.000 2.175 78 E HA 0.189 4.539 4.350 0.000 0.000 0.193 78 E C 0.015 176.777 176.600 0.269 0.000 0.962 78 E CA -0.690 55.811 56.400 0.169 0.000 0.981 78 E CB 0.260 30.069 29.700 0.181 0.000 1.093 78 E HN 0.249 nan 8.360 nan 0.000 0.483 79 F N 1.681 121.746 119.950 0.191 0.000 2.484 79 F HA 0.275 4.802 4.527 0.000 0.000 0.360 79 F C 1.199 177.109 175.800 0.184 0.000 1.101 79 F CA -0.182 57.963 58.000 0.241 0.000 1.251 79 F CB 1.301 40.554 39.000 0.421 0.000 1.132 79 F HN 0.070 nan 8.300 nan 0.000 0.570 80 G N 3.773 112.199 108.800 -0.624 0.000 2.551 80 G HA2 0.169 4.130 3.960 0.000 0.000 0.216 80 G HA3 0.169 4.130 3.960 0.000 0.000 0.216 80 G C 0.834 175.290 174.900 -0.740 0.000 1.137 80 G CA 0.437 45.220 45.100 -0.527 0.000 0.798 80 G HN 0.988 nan 8.290 nan 0.000 0.536 81 G N 0.133 107.932 108.800 -1.668 0.000 2.546 81 G HA2 0.495 4.455 3.960 0.000 0.000 0.239 81 G HA3 0.495 4.455 3.960 0.000 0.000 0.239 81 G C 0.210 175.067 174.900 -0.071 0.000 1.476 81 G CA 0.134 44.830 45.100 -0.673 0.000 1.064 81 G HN 0.533 nan 8.290 nan 0.000 0.561 82 A N 0.239 123.238 122.820 0.298 0.000 2.401 82 A HA 0.604 4.924 4.320 0.000 0.000 0.259 82 A C -2.030 175.873 177.584 0.531 0.000 1.103 82 A CA -0.830 51.404 52.037 0.327 0.000 0.789 82 A CB 0.037 19.193 19.000 0.260 0.000 1.035 82 A HN 0.389 nan 8.150 nan 0.000 0.491 83 P HA 0.349 nan 4.420 nan 0.000 0.270 83 P C -0.695 176.822 177.300 0.361 0.000 1.227 83 P CA 0.382 63.672 63.100 0.318 0.000 0.788 83 P CB 0.236 32.008 31.700 0.121 0.000 0.926 84 F N -1.760 118.267 119.950 0.129 0.000 2.643 84 F HA 0.621 5.148 4.527 0.001 0.000 0.314 84 F C 1.035 176.865 175.800 0.049 0.000 1.096 84 F CA -1.247 56.791 58.000 0.064 0.000 0.953 84 F CB 1.043 40.038 39.000 -0.008 0.000 1.345 84 F HN 0.113 nan 8.300 nan 0.000 0.468 85 K N 0.207 120.713 120.400 0.176 0.000 2.005 85 K HA 0.249 4.569 4.320 0.000 0.000 0.206 85 K C -0.065 176.608 176.600 0.121 0.000 1.044 85 K CA 0.885 57.221 56.287 0.083 0.000 0.942 85 K CB 0.199 32.740 32.500 0.068 0.000 0.727 85 K HN 0.718 nan 8.250 nan 0.000 0.439 86 R N -0.043 120.595 120.500 0.229 0.000 2.686 86 R HA 0.211 4.551 4.340 0.000 0.000 0.286 86 R C -1.458 175.030 176.300 0.313 0.000 0.969 86 R CA -0.765 55.475 56.100 0.235 0.000 0.898 86 R CB 1.519 31.880 30.300 0.102 0.000 1.183 86 R HN 0.047 nan 8.270 nan 0.000 0.456 87 F N 3.870 123.929 119.950 0.181 0.000 2.391 87 F HA 0.249 4.776 4.527 0.000 0.000 0.359 87 F C 0.461 176.229 175.800 -0.053 0.000 1.122 87 F CA -0.450 57.550 58.000 0.001 0.000 1.120 87 F CB 0.585 39.651 39.000 0.111 0.000 1.142 87 F HN 0.467 nan 8.300 nan 0.000 0.483 88 L N 5.060 125.926 121.223 -0.595 0.000 2.062 88 L HA 0.191 4.531 4.340 0.000 0.000 0.202 88 L C 0.656 177.251 176.870 -0.458 0.000 1.079 88 L CA 0.551 55.152 54.840 -0.397 0.000 0.755 88 L CB -0.310 41.552 42.059 -0.327 0.000 0.913 88 L HN 0.619 nan 8.230 nan 0.000 0.445 89 R N -1.490 118.538 120.500 -0.787 0.000 2.747 89 R HA 0.654 4.994 4.340 0.000 0.000 0.272 89 R C -0.499 175.544 176.300 -0.428 0.000 1.032 89 R CA -0.272 55.575 56.100 -0.422 0.000 0.896 89 R CB 1.209 31.400 30.300 -0.181 0.000 1.253 89 R HN 0.125 nan 8.270 nan 0.000 0.461 90 G N 0.153 108.958 108.800 0.008 0.000 2.378 90 G HA2 -0.089 3.871 3.960 0.000 0.000 0.198 90 G HA3 -0.089 3.871 3.960 0.000 0.000 0.198 90 G C -1.118 173.992 174.900 0.349 0.000 1.223 90 G CA -0.366 44.810 45.100 0.127 0.000 1.088 90 G HN 0.705 nan 8.290 nan 0.000 0.530 91 T N 2.028 116.766 114.554 0.307 0.000 2.780 91 T HA 0.581 4.932 4.350 0.000 0.000 0.294 91 T C 0.655 175.527 174.700 0.287 0.000 0.949 91 T CA -0.125 62.120 62.100 0.243 0.000 1.074 91 T CB 0.933 69.877 68.868 0.127 0.000 0.910 91 T HN 0.589 nan 8.240 nan 0.000 0.501 92 R N 2.407 122.949 120.500 0.069 0.000 2.349 92 R HA 0.447 4.788 4.340 0.000 0.000 0.299 92 R C -0.514 175.790 176.300 0.007 0.000 1.027 92 R CA -0.743 55.251 56.100 -0.177 0.000 0.958 92 R CB 0.853 30.941 30.300 -0.354 0.000 1.047 92 R HN 0.410 nan 8.270 nan 0.000 0.468 93 I N 4.133 124.743 120.570 0.066 0.000 2.404 93 I HA 0.344 4.514 4.170 0.000 0.000 0.293 93 I C -0.606 175.585 176.117 0.124 0.000 0.992 93 I CA -0.583 60.812 61.300 0.158 0.000 1.149 93 I CB 1.799 39.972 38.000 0.288 0.000 1.315 93 I HN 0.307 nan 8.210 nan 0.000 0.446 94 V N 5.563 125.540 119.914 0.105 0.000 3.126 94 V HA 0.483 4.603 4.120 0.000 0.000 0.314 94 V C 0.033 176.170 176.094 0.073 0.000 1.138 94 V CA -0.636 61.709 62.300 0.074 0.000 1.034 94 V CB 2.607 34.458 31.823 0.047 0.000 1.075 94 V HN 0.867 nan 8.190 nan 0.000 0.442 95 S N 0.800 116.531 115.700 0.052 0.000 2.592 95 S HA 0.301 4.771 4.470 0.000 0.000 0.271 95 S C 1.345 175.963 174.600 0.029 0.000 1.326 95 S CA 0.122 58.344 58.200 0.036 0.000 1.024 95 S CB 1.208 64.424 63.200 0.028 0.000 0.921 95 S HN 1.192 nan 8.310 nan 0.000 0.527 96 G N 1.544 110.351 108.800 0.011 0.000 2.469 96 G HA2 -0.091 3.870 3.960 0.000 0.000 0.219 96 G HA3 -0.091 3.870 3.960 0.000 0.000 0.219 96 G C 1.299 176.217 174.900 0.030 0.000 1.150 96 G CA 0.665 45.774 45.100 0.014 0.000 0.763 96 G HN 0.971 nan 8.290 nan 0.000 0.561 97 G N 0.469 109.282 108.800 0.022 0.000 2.421 97 G HA2 -0.209 3.751 3.960 0.000 0.000 0.216 97 G HA3 -0.209 3.751 3.960 0.000 0.000 0.216 97 G C 1.686 176.603 174.900 0.028 0.000 1.171 97 G CA 1.269 46.384 45.100 0.024 0.000 0.775 97 G HN 0.553 nan 8.290 nan 0.000 0.543 98 K N -0.247 120.170 120.400 0.028 0.000 2.148 98 K HA 0.024 4.344 4.320 0.000 0.000 0.204 98 K C 2.347 178.970 176.600 0.038 0.000 1.050 98 K CA 0.895 57.199 56.287 0.028 0.000 0.942 98 K CB -0.200 32.314 32.500 0.024 0.000 0.724 98 K HN 0.260 nan 8.250 nan 0.000 0.446 99 L N 1.665 122.920 121.223 0.053 0.000 2.056 99 L HA -0.097 4.243 4.340 0.000 0.000 0.207 99 L C 1.756 178.675 176.870 0.082 0.000 1.078 99 L CA 1.721 56.609 54.840 0.080 0.000 0.749 99 L CB -0.217 41.906 42.059 0.107 0.000 0.901 99 L HN 0.049 nan 8.230 nan 0.000 0.433 100 K N -0.788 119.654 120.400 0.071 0.000 2.209 100 K HA -0.155 4.165 4.320 0.000 0.000 0.204 100 K C 2.183 178.806 176.600 0.039 0.000 1.048 100 K CA 1.316 57.641 56.287 0.063 0.000 0.940 100 K CB -0.125 32.406 32.500 0.053 0.000 0.729 100 K HN 0.371 nan 8.250 nan 0.000 0.451 101 R N 0.193 120.712 120.500 0.032 0.000 2.075 101 R HA 0.090 4.430 4.340 0.000 0.000 0.226 101 R C 2.327 178.635 176.300 0.014 0.000 1.114 101 R CA 0.984 57.096 56.100 0.019 0.000 0.972 101 R CB -0.069 30.241 30.300 0.016 0.000 0.869 101 R HN 0.155 nan 8.270 nan 0.000 0.437 102 M N 0.033 119.646 119.600 0.021 0.000 2.175 102 M HA -0.104 4.376 4.480 0.000 0.000 0.264 102 M C 2.085 178.385 176.300 -0.000 0.000 1.063 102 M CA 1.872 57.181 55.300 0.015 0.000 1.119 102 M CB -0.196 32.421 32.600 0.028 0.000 1.377 102 M HN 0.213 nan 8.290 nan 0.000 0.415 103 T N -2.561 111.992 114.554 -0.002 0.000 3.081 103 T HA 0.101 4.452 4.350 0.000 0.000 0.250 103 T C 0.865 175.528 174.700 -0.062 0.000 1.100 103 T CA -0.252 61.812 62.100 -0.060 0.000 1.038 103 T CB -0.100 68.705 68.868 -0.104 0.000 0.962 103 T HN 0.045 nan 8.240 nan 0.000 0.516 104 R N 2.165 122.650 120.500 -0.025 0.000 2.570 104 R HA 0.361 4.701 4.340 0.000 0.000 0.277 104 R C -0.154 176.129 176.300 -0.028 0.000 1.039 104 R CA 0.188 56.276 56.100 -0.020 0.000 1.065 104 R CB -0.014 30.284 30.300 -0.004 0.000 0.964 104 R HN 0.587 nan 8.270 nan 0.000 0.428 105 E N 2.073 122.256 120.200 -0.028 0.000 2.367 105 E HA 0.156 4.506 4.350 0.000 0.000 0.273 105 E C -0.226 176.362 176.600 -0.019 0.000 0.903 105 E CA -0.727 55.656 56.400 -0.028 0.000 0.764 105 E CB 1.508 31.185 29.700 -0.040 0.000 1.252 105 E HN 0.564 nan 8.360 nan 0.000 0.446 106 K N 1.563 121.953 120.400 -0.016 0.000 2.057 106 K HA -0.003 4.317 4.320 0.000 0.000 0.207 106 K C 0.480 177.073 176.600 -0.012 0.000 1.049 106 K CA 1.216 57.496 56.287 -0.012 0.000 0.931 106 K CB -0.110 32.383 32.500 -0.011 0.000 0.714 106 K HN 0.456 nan 8.250 nan 0.000 0.440 107 A N 1.891 124.703 122.820 -0.014 0.000 2.425 107 A HA 0.108 4.428 4.320 0.000 0.000 0.242 107 A C -0.615 176.964 177.584 -0.009 0.000 1.077 107 A CA -0.139 51.891 52.037 -0.011 0.000 0.781 107 A CB 0.203 19.196 19.000 -0.012 0.000 1.020 107 A HN 0.306 nan 8.150 nan 0.000 0.494 108 K N 1.233 121.629 120.400 -0.006 0.000 2.489 108 K HA 0.120 4.440 4.320 0.000 0.000 0.278 108 K C 0.069 176.670 176.600 0.002 0.000 1.000 108 K CA 0.647 56.931 56.287 -0.006 0.000 1.012 108 K CB 0.275 32.771 32.500 -0.006 0.000 0.903 108 K HN 0.752 nan 8.250 nan 0.000 0.485 109 Q N 0.652 120.452 119.800 -0.001 0.000 2.495 109 Q HA 0.532 4.872 4.340 0.000 0.000 0.283 109 Q C -1.203 174.805 176.000 0.013 0.000 1.097 109 Q CA -0.974 54.836 55.803 0.011 0.000 0.836 109 Q CB 2.468 31.203 28.738 -0.004 0.000 1.426 109 Q HN 0.333 nan 8.270 nan 0.000 0.459 110 V N 0.353 120.291 119.914 0.041 0.000 2.881 110 V HA 0.688 4.809 4.120 0.000 0.000 0.316 110 V C -0.941 175.189 176.094 0.059 0.000 1.070 110 V CA -0.199 62.116 62.300 0.025 0.000 0.976 110 V CB 2.100 33.955 31.823 0.054 0.000 1.038 110 V HN 0.967 nan 8.190 nan 0.000 0.446 111 T N 2.119 116.709 114.554 0.060 0.000 2.887 111 T HA 0.745 5.095 4.350 0.000 0.000 0.288 111 T C -1.020 173.773 174.700 0.155 0.000 1.021 111 T CA -0.675 61.496 62.100 0.118 0.000 1.000 111 T CB 1.586 70.512 68.868 0.096 0.000 1.034 111 T HN 0.524 nan 8.240 nan 0.000 0.467 112 V N 2.344 122.394 119.914 0.227 0.000 2.326 112 V HA 0.666 4.786 4.120 0.000 0.000 0.281 112 V C 0.846 177.018 176.094 0.131 0.000 1.015 112 V CA -0.247 62.170 62.300 0.195 0.000 0.823 112 V CB 0.015 31.982 31.823 0.240 0.000 1.009 112 V HN 1.630 nan 8.190 nan 0.000 0.436 113 A N 4.033 126.910 122.820 0.096 0.000 2.791 113 A HA 0.027 4.347 4.320 0.000 0.000 0.292 113 A C 1.823 179.451 177.584 0.073 0.000 1.487 113 A CA 1.297 53.374 52.037 0.067 0.000 0.760 113 A CB -1.529 17.492 19.000 0.035 0.000 1.031 113 A HN 2.562 nan 8.150 nan 0.000 0.503 114 G N -3.582 105.272 108.800 0.091 0.000 2.267 114 G HA2 -0.091 3.869 3.960 0.000 0.000 0.257 114 G HA3 -0.091 3.869 3.960 0.000 0.000 0.257 114 G C 0.482 175.442 174.900 0.100 0.000 0.998 114 G CA 0.540 45.690 45.100 0.084 0.000 0.620 114 G HN 1.925 nan 8.290 nan 0.000 0.529 115 V N 3.582 123.581 119.914 0.141 0.000 2.461 115 V HA 0.451 4.571 4.120 0.000 0.000 0.275 115 V C -1.348 174.876 176.094 0.217 0.000 1.047 115 V CA -1.397 61.018 62.300 0.191 0.000 0.955 115 V CB 1.392 33.385 31.823 0.283 0.000 0.988 115 V HN 0.269 nan 8.190 nan 0.000 0.471 116 P HA 0.074 nan 4.420 nan 0.000 0.271 116 P C -0.346 176.912 177.300 -0.070 0.000 1.233 116 P CA -0.211 62.917 63.100 0.047 0.000 0.764 116 P CB 0.685 32.391 31.700 0.010 0.000 0.825 117 M N 6.659 126.216 119.600 -0.072 0.000 2.227 117 M HA 0.247 4.727 4.480 0.000 0.000 0.349 117 M C -2.273 173.804 176.300 -0.372 0.000 1.443 117 M CA -1.993 53.079 55.300 -0.381 0.000 1.110 117 M CB 0.339 32.974 32.600 0.058 0.000 1.773 117 M HN 0.112 nan 8.290 nan 0.000 0.463 118 P HA -0.030 nan 4.420 nan 0.000 0.261 118 P C -0.012 177.185 177.300 -0.172 0.000 1.183 118 P CA 0.036 62.950 63.100 -0.309 0.000 0.761 118 P CB 0.396 31.901 31.700 -0.325 0.000 0.785 119 R N 3.302 123.740 120.500 -0.102 0.000 2.103 119 R HA -0.196 4.144 4.340 0.000 0.000 0.242 119 R C 1.362 177.620 176.300 -0.070 0.000 1.142 119 R CA 2.303 58.368 56.100 -0.060 0.000 0.960 119 R CB -1.032 29.242 30.300 -0.044 0.000 0.858 119 R HN 0.659 nan 8.270 nan 0.000 0.439 120 D N -0.575 119.779 120.400 -0.077 0.000 2.312 120 D HA -0.048 4.592 4.640 0.000 0.000 0.211 120 D C 1.390 177.641 176.300 -0.082 0.000 0.964 120 D CA 1.075 55.030 54.000 -0.075 0.000 0.877 120 D CB -0.065 40.700 40.800 -0.059 0.000 0.924 120 D HN 0.154 nan 8.370 nan 0.000 0.515 121 A N 0.448 123.222 122.820 -0.077 0.000 2.072 121 A HA -0.031 4.289 4.320 0.000 0.000 0.216 121 A C 2.024 179.574 177.584 -0.058 0.000 1.156 121 A CA 0.607 52.622 52.037 -0.037 0.000 0.701 121 A CB -0.423 18.585 19.000 0.013 0.000 0.816 121 A HN 0.196 nan 8.150 nan 0.000 0.458 122 E N 0.168 120.324 120.200 -0.075 0.000 2.065 122 E HA -0.178 4.172 4.350 0.000 0.000 0.201 122 E C -0.765 175.612 176.600 -0.371 0.000 1.016 122 E CA 1.660 57.978 56.400 -0.136 0.000 0.818 122 E CB -0.810 28.820 29.700 -0.116 0.000 0.749 122 E HN 0.557 nan 8.360 nan 0.000 0.453 123 P HA -0.021 nan 4.420 nan 0.000 0.245 123 P C 0.346 177.183 177.300 -0.772 0.000 1.212 123 P CA 0.679 63.462 63.100 -0.528 0.000 0.774 123 P CB 0.312 31.820 31.700 -0.320 0.000 0.999 124 R N -0.795 119.359 120.500 -0.576 0.000 2.362 124 R HA 0.129 4.469 4.340 0.000 0.000 0.227 124 R C 0.154 176.225 176.300 -0.382 0.000 0.905 124 R CA -0.235 55.610 56.100 -0.426 0.000 1.067 124 R CB -0.663 29.554 30.300 -0.138 0.000 1.078 124 R HN 0.376 nan 8.270 nan 0.000 0.516 125 H N -0.708 118.301 119.070 -0.102 0.000 4.618 125 H HA -0.209 4.348 4.556 0.000 0.000 0.257 125 H C -0.775 174.673 175.328 0.200 0.000 0.545 125 H CA 0.389 56.406 56.048 -0.052 0.000 0.688 125 H CB -0.611 28.911 29.762 -0.399 0.000 0.965 125 H HN 0.074 nan 8.280 nan 0.000 0.303 126 L N 1.843 123.353 121.223 0.477 0.000 2.386 126 L HA 0.555 4.895 4.340 0.000 0.000 0.271 126 L C -1.214 175.892 176.870 0.393 0.000 0.993 126 L CA -0.789 54.296 54.840 0.408 0.000 0.819 126 L CB 1.606 43.867 42.059 0.336 0.000 1.294 126 L HN 0.490 nan 8.230 nan 0.000 0.414 127 L N 5.978 127.308 121.223 0.178 0.000 2.298 127 L HA 0.616 4.956 4.340 0.000 0.000 0.284 127 L C -1.158 175.694 176.870 -0.030 0.000 1.013 127 L CA -0.267 54.515 54.840 -0.097 0.000 0.824 127 L CB 1.682 43.592 42.059 -0.249 0.000 1.221 127 L HN 0.401 nan 8.230 nan 0.000 0.418 128 V N 5.098 125.002 119.914 -0.018 0.000 2.311 128 V HA 0.425 4.545 4.120 0.000 0.000 0.275 128 V C -0.032 176.057 176.094 -0.010 0.000 1.022 128 V CA -0.622 61.686 62.300 0.013 0.000 0.830 128 V CB 0.981 32.841 31.823 0.062 0.000 1.012 128 V HN 0.822 nan 8.190 nan 0.000 0.452 129 N N 3.124 121.816 118.700 -0.014 0.000 2.405 129 N HA 0.825 5.566 4.740 0.000 0.000 0.299 129 N C -0.167 175.347 175.510 0.007 0.000 1.075 129 N CA 0.348 53.388 53.050 -0.016 0.000 0.884 129 N CB 1.857 40.326 38.487 -0.030 0.000 1.194 129 N HN 0.943 nan 8.380 nan 0.000 0.491 130 G N 0.129 108.934 108.800 0.009 0.000 2.340 130 G HA2 0.485 4.445 3.960 0.000 0.000 0.300 130 G HA3 0.485 4.445 3.960 0.000 0.000 0.300 130 G C -1.153 173.758 174.900 0.018 0.000 1.488 130 G CA -0.283 44.828 45.100 0.018 0.000 0.878 130 G HN 0.749 nan 8.290 nan 0.000 0.618 131 A N -0.251 122.580 122.820 0.019 0.000 2.261 131 A HA 0.747 5.067 4.320 0.000 0.000 0.275 131 A C 0.900 178.496 177.584 0.019 0.000 1.246 131 A CA 0.664 52.711 52.037 0.017 0.000 0.810 131 A CB -0.122 18.887 19.000 0.016 0.000 1.168 131 A HN 1.249 nan 8.150 nan 0.000 0.506 132 T N 0.062 114.626 114.554 0.017 0.000 2.817 132 T HA 0.491 4.842 4.350 0.000 0.000 0.293 132 T C 1.085 175.793 174.700 0.014 0.000 0.964 132 T CA 1.056 63.166 62.100 0.017 0.000 1.085 132 T CB 0.778 69.655 68.868 0.015 0.000 0.921 132 T HN 1.995 nan 8.240 nan 0.000 0.502 133 G N 2.710 111.518 108.800 0.014 0.000 2.143 133 G HA2 -0.313 3.647 3.960 0.000 0.000 0.248 133 G HA3 -0.313 3.647 3.960 0.000 0.000 0.248 133 G C 0.857 175.765 174.900 0.014 0.000 0.991 133 G CA 0.564 45.671 45.100 0.011 0.000 0.689 133 G HN 0.943 nan 8.290 nan 0.000 0.522 134 T N -2.529 112.036 114.554 0.018 0.000 3.129 134 T HA 0.452 4.803 4.350 0.000 0.000 0.251 134 T C 1.970 176.683 174.700 0.023 0.000 1.117 134 T CA 1.307 63.419 62.100 0.021 0.000 1.034 134 T CB 0.501 69.384 68.868 0.025 0.000 0.968 134 T HN 2.148 nan 8.240 nan 0.000 0.526 135 G N 1.204 110.019 108.800 0.025 0.000 2.141 135 G HA2 -0.184 3.776 3.960 0.000 0.000 0.164 135 G HA3 -0.184 3.776 3.960 0.000 0.000 0.164 135 G C 0.613 175.536 174.900 0.039 0.000 1.009 135 G CA 0.117 45.235 45.100 0.030 0.000 0.677 135 G HN 0.457 nan 8.290 nan 0.000 0.508 136 K N 0.297 120.721 120.400 0.039 0.000 2.057 136 K HA 0.029 4.349 4.320 0.000 0.000 0.206 136 K C 2.655 179.287 176.600 0.052 0.000 1.050 136 K CA 1.430 57.747 56.287 0.050 0.000 0.935 136 K CB -0.172 32.358 32.500 0.050 0.000 0.715 136 K HN 0.307 nan 8.250 nan 0.000 0.439 137 S N 0.700 116.424 115.700 0.040 0.000 2.359 137 S HA -0.144 4.327 4.470 0.000 0.000 0.224 137 S C 2.024 176.654 174.600 0.049 0.000 1.035 137 S CA 1.184 59.403 58.200 0.032 0.000 1.018 137 S CB -0.232 62.979 63.200 0.017 0.000 0.876 137 S HN 0.060 nan 8.310 nan 0.000 0.448 138 V N 1.913 121.863 119.914 0.060 0.000 2.287 138 V HA -0.174 3.946 4.120 0.000 0.000 0.248 138 V C 2.190 178.341 176.094 0.095 0.000 1.053 138 V CA 1.845 64.198 62.300 0.089 0.000 1.027 138 V CB -0.517 31.348 31.823 0.070 0.000 0.646 138 V HN 0.454 nan 8.190 nan 0.000 0.447 139 L N -1.121 120.147 121.223 0.075 0.000 2.012 139 L HA -0.212 4.128 4.340 0.000 0.000 0.210 139 L C 2.332 179.246 176.870 0.073 0.000 1.073 139 L CA 1.776 56.663 54.840 0.079 0.000 0.748 139 L CB -0.172 41.932 42.059 0.075 0.000 0.891 139 L HN 0.261 nan 8.230 nan 0.000 0.431 140 L N -0.187 121.071 121.223 0.059 0.000 2.056 140 L HA -0.172 4.168 4.340 0.000 0.000 0.207 140 L C 2.748 179.556 176.870 -0.103 0.000 1.078 140 L CA 1.575 56.419 54.840 0.006 0.000 0.749 140 L CB -0.558 41.516 42.059 0.025 0.000 0.901 140 L HN 0.167 nan 8.230 nan 0.000 0.433 141 R N -0.742 119.748 120.500 -0.018 0.000 2.096 141 R HA -0.199 4.142 4.340 0.000 0.000 0.235 141 R C 2.217 178.511 176.300 -0.011 0.000 1.127 141 R CA 1.592 57.694 56.100 0.003 0.000 0.968 141 R CB -0.098 30.237 30.300 0.058 0.000 0.861 141 R HN 0.495 nan 8.270 nan 0.000 0.440 142 E N 0.215 120.475 120.200 0.100 0.000 2.107 142 E HA -0.183 4.167 4.350 0.000 0.000 0.191 142 E C 1.890 178.515 176.600 0.042 0.000 0.982 142 E CA 0.658 57.166 56.400 0.180 0.000 0.809 142 E CB 0.039 29.849 29.700 0.183 0.000 0.756 142 E HN 0.155 nan 8.360 nan 0.000 0.459 143 L N 0.938 122.135 121.223 -0.044 0.000 2.056 143 L HA -0.016 4.324 4.340 0.000 0.000 0.207 143 L C 2.306 178.970 176.870 -0.344 0.000 1.078 143 L CA 2.013 56.782 54.840 -0.119 0.000 0.749 143 L CB -0.584 41.482 42.059 0.012 0.000 0.901 143 L HN 0.215 nan 8.230 nan 0.000 0.433 144 A N -1.587 120.924 122.820 -0.516 0.000 1.898 144 A HA -0.252 4.068 4.320 0.000 0.000 0.216 144 A C 2.258 179.448 177.584 -0.656 0.000 1.181 144 A CA 1.601 53.195 52.037 -0.740 0.000 0.620 144 A CB -1.102 17.379 19.000 -0.864 0.000 0.819 144 A HN 0.557 nan 8.150 nan 0.000 0.442 145 Y N 2.046 121.866 120.300 -0.801 0.000 2.070 145 Y HA -0.269 4.281 4.550 0.000 0.000 0.280 145 Y C 2.950 178.645 175.900 -0.340 0.000 1.148 145 Y CA 2.639 60.319 58.100 -0.700 0.000 1.125 145 Y CB -1.114 37.143 38.460 -0.339 0.000 0.975 145 Y HN 0.445 nan 8.280 nan 0.000 0.492 146 T N -2.458 111.900 114.554 -0.326 0.000 2.849 146 T HA -0.120 4.231 4.350 0.000 0.000 0.270 146 T C 2.159 176.682 174.700 -0.295 0.000 1.066 146 T CA 1.339 63.241 62.100 -0.329 0.000 1.130 146 T CB -1.278 67.508 68.868 -0.137 0.000 0.864 146 T HN 0.424 nan 8.240 nan 0.000 0.481 147 G N 1.171 109.769 108.800 -0.337 0.000 2.408 147 G HA2 0.097 4.057 3.960 0.000 0.000 0.215 147 G HA3 0.097 4.057 3.960 0.000 0.000 0.215 147 G C 1.518 176.292 174.900 -0.210 0.000 1.156 147 G CA 0.380 45.302 45.100 -0.296 0.000 0.793 147 G HN 0.513 nan 8.290 nan 0.000 0.535 148 L N 0.184 121.241 121.223 -0.277 0.000 2.046 148 L HA 0.009 4.350 4.340 0.000 0.000 0.208 148 L C 2.798 179.571 176.870 -0.162 0.000 1.077 148 L CA 0.564 55.291 54.840 -0.188 0.000 0.747 148 L CB -0.409 41.516 42.059 -0.223 0.000 0.896 148 L HN 0.171 nan 8.230 nan 0.000 0.432 149 L N -0.514 120.549 121.223 -0.267 0.000 2.261 149 L HA -0.206 4.135 4.340 0.000 0.000 0.216 149 L C 2.529 179.324 176.870 -0.125 0.000 1.114 149 L CA 1.049 55.754 54.840 -0.225 0.000 0.777 149 L CB -0.504 41.343 42.059 -0.353 0.000 0.910 149 L HN 0.254 nan 8.230 nan 0.000 0.440 150 R N 0.055 120.493 120.500 -0.105 0.000 2.310 150 R HA 0.052 4.393 4.340 0.000 0.000 0.202 150 R C 1.265 177.559 176.300 -0.011 0.000 0.933 150 R CA 0.637 56.711 56.100 -0.043 0.000 1.054 150 R CB 0.233 30.522 30.300 -0.017 0.000 0.985 150 R HN 0.374 nan 8.270 nan 0.000 0.489 151 G N 0.949 109.739 108.800 -0.016 0.000 2.176 151 G HA2 -0.237 3.723 3.960 0.000 0.000 0.253 151 G HA3 -0.237 3.723 3.960 0.000 0.000 0.253 151 G C -0.485 174.439 174.900 0.039 0.000 0.979 151 G CA 0.226 45.331 45.100 0.009 0.000 0.641 151 G HN 0.400 nan 8.290 nan 0.000 0.530 152 D N 0.406 120.848 120.400 0.070 0.000 2.378 152 D HA 0.461 5.102 4.640 0.000 0.000 0.238 152 D C 1.205 177.598 176.300 0.155 0.000 1.180 152 D CA 0.275 54.372 54.000 0.161 0.000 0.895 152 D CB 0.478 41.466 40.800 0.315 0.000 1.192 152 D HN 0.480 nan 8.370 nan 0.000 0.438 153 R N 0.606 121.221 120.500 0.192 0.000 2.674 153 R HA 0.788 5.129 4.340 0.000 0.000 0.266 153 R C -0.033 176.453 176.300 0.310 0.000 1.016 153 R CA -0.791 55.412 56.100 0.171 0.000 1.062 153 R CB 1.331 31.653 30.300 0.036 0.000 1.142 153 R HN 0.525 nan 8.270 nan 0.000 0.517 154 M N -1.690 118.108 119.600 0.329 0.000 2.605 154 M HA 0.325 4.805 4.480 0.000 0.000 0.281 154 M C -1.683 174.804 176.300 0.312 0.000 1.166 154 M CA -1.098 54.436 55.300 0.390 0.000 0.875 154 M CB 1.686 34.553 32.600 0.446 0.000 1.732 154 M HN 0.196 nan 8.290 nan 0.000 0.504 155 V N 3.596 123.677 119.914 0.279 0.000 2.384 155 V HA 0.562 4.683 4.120 0.000 0.000 0.287 155 V C -0.485 175.686 176.094 0.129 0.000 1.020 155 V CA -0.569 61.786 62.300 0.093 0.000 0.850 155 V CB 1.666 33.548 31.823 0.098 0.000 0.987 155 V HN 0.626 nan 8.190 nan 0.000 0.436 156 I N 5.506 126.059 120.570 -0.029 0.000 2.389 156 I HA 0.348 4.518 4.170 0.000 0.000 0.288 156 I C 0.003 176.215 176.117 0.159 0.000 0.999 156 I CA -0.787 60.565 61.300 0.087 0.000 1.129 156 I CB 1.692 39.642 38.000 -0.082 0.000 1.288 156 I HN 0.209 nan 8.210 nan 0.000 0.444 157 V N 5.513 125.585 119.914 0.263 0.000 2.370 157 V HA 0.088 4.208 4.120 0.000 0.000 0.257 157 V C 0.088 176.366 176.094 0.308 0.000 1.064 157 V CA -0.005 62.520 62.300 0.375 0.000 0.975 157 V CB 0.502 32.558 31.823 0.388 0.000 1.067 157 V HN 0.620 nan 8.190 nan 0.000 0.485 158 D N 7.321 127.858 120.400 0.229 0.000 2.477 158 D HA 0.364 5.004 4.640 0.000 0.000 0.239 158 D C -2.706 173.313 176.300 -0.468 0.000 1.102 158 D CA -2.160 51.831 54.000 -0.015 0.000 0.901 158 D CB 1.603 42.489 40.800 0.144 0.000 1.026 158 D HN 0.258 nan 8.370 nan 0.000 0.515 159 P HA 0.150 nan 4.420 nan 0.000 0.267 159 P C -0.031 176.897 177.300 -0.620 0.000 1.209 159 P CA 0.027 62.451 63.100 -1.127 0.000 0.763 159 P CB 0.501 31.829 31.700 -0.621 0.000 0.816 160 N N 2.798 121.118 118.700 -0.633 0.000 2.936 160 N HA -0.193 4.547 4.740 0.000 0.000 0.236 160 N C 0.924 176.316 175.510 -0.197 0.000 0.930 160 N CA 1.813 54.662 53.050 -0.335 0.000 0.966 160 N CB -1.750 36.585 38.487 -0.254 0.000 1.090 160 N HN 0.793 nan 8.380 nan 0.000 0.592 161 G N 0.632 109.317 108.800 -0.192 0.000 2.160 161 G HA2 -0.363 3.597 3.960 0.000 0.000 0.251 161 G HA3 -0.363 3.597 3.960 0.000 0.000 0.251 161 G C 0.519 175.339 174.900 -0.134 0.000 1.008 161 G CA 1.370 46.404 45.100 -0.109 0.000 0.724 161 G HN 0.651 nan 8.290 nan 0.000 0.514 162 D N -0.186 120.127 120.400 -0.145 0.000 2.092 162 D HA -0.129 4.511 4.640 0.000 0.000 0.193 162 D C 2.523 178.711 176.300 -0.186 0.000 0.994 162 D CA 1.853 55.761 54.000 -0.154 0.000 0.828 162 D CB -0.099 40.620 40.800 -0.135 0.000 0.963 162 D HN 0.338 nan 8.370 nan 0.000 0.450 163 M N -0.327 119.217 119.600 -0.093 0.000 2.229 163 M HA -0.023 4.457 4.480 0.000 0.000 0.264 163 M C 2.173 178.447 176.300 -0.044 0.000 1.063 163 M CA 0.552 55.841 55.300 -0.019 0.000 1.114 163 M CB -0.790 31.953 32.600 0.239 0.000 1.387 163 M HN 0.239 nan 8.290 nan 0.000 0.420 164 L N 0.981 122.089 121.223 -0.191 0.000 1.994 164 L HA -0.168 4.172 4.340 0.000 0.000 0.208 164 L C 2.665 179.250 176.870 -0.476 0.000 1.071 164 L CA 2.435 56.847 54.840 -0.713 0.000 0.745 164 L CB -0.969 40.742 42.059 -0.580 0.000 0.892 164 L HN 0.411 nan 8.230 nan 0.000 0.431 165 S N -1.300 114.205 115.700 -0.326 0.000 2.419 165 S HA -0.165 4.305 4.470 0.000 0.000 0.235 165 S C 1.841 176.257 174.600 -0.308 0.000 1.019 165 S CA 1.050 59.091 58.200 -0.265 0.000 0.982 165 S CB -0.492 62.589 63.200 -0.197 0.000 0.789 165 S HN 0.466 nan 8.310 nan 0.000 0.490 166 K N 0.353 120.458 120.400 -0.490 0.000 2.202 166 K HA 0.254 4.574 4.320 0.000 0.000 0.201 166 K C 0.811 176.995 176.600 -0.694 0.000 1.051 166 K CA 0.659 56.502 56.287 -0.739 0.000 0.977 166 K CB -0.336 31.338 32.500 -1.377 0.000 0.792 166 K HN 0.573 nan 8.250 nan 0.000 0.469 167 F N 0.553 120.454 119.950 -0.081 0.000 2.706 167 F HA 0.324 4.851 4.527 0.000 0.000 0.313 167 F C 1.158 176.981 175.800 0.039 0.000 1.096 167 F CA -1.208 56.804 58.000 0.021 0.000 1.219 167 F CB -0.429 38.624 39.000 0.088 0.000 1.051 167 F HN -0.179 nan 8.300 nan 0.000 0.568 168 G N 1.910 110.652 108.800 -0.096 0.000 2.340 168 G HA2 0.339 4.299 3.960 0.000 0.000 0.245 168 G HA3 0.339 4.299 3.960 0.000 0.000 0.245 168 G C 0.239 175.121 174.900 -0.030 0.000 1.294 168 G CA -0.267 44.686 45.100 -0.245 0.000 0.896 168 G HN 0.179 nan 8.290 nan 0.000 0.522 169 R N 1.142 121.679 120.500 0.061 0.000 2.810 169 R HA 0.297 4.637 4.340 0.000 0.000 0.245 169 R C 0.448 176.774 176.300 0.043 0.000 1.168 169 R CA -0.946 55.198 56.100 0.074 0.000 1.096 169 R CB 1.193 31.568 30.300 0.125 0.000 1.259 169 R HN 0.504 nan 8.270 nan 0.000 0.518 170 D N 1.100 121.527 120.400 0.044 0.000 2.194 170 D HA -0.119 4.521 4.640 0.000 0.000 0.204 170 D C 1.275 177.608 176.300 0.055 0.000 0.964 170 D CA 1.258 55.277 54.000 0.031 0.000 0.846 170 D CB 0.237 41.053 40.800 0.026 0.000 0.962 170 D HN 0.466 nan 8.370 nan 0.000 0.490 171 K N 0.925 121.376 120.400 0.085 0.000 2.418 171 K HA -0.006 4.314 4.320 0.000 0.000 0.195 171 K C 0.225 176.923 176.600 0.164 0.000 1.035 171 K CA 0.194 56.548 56.287 0.112 0.000 1.003 171 K CB 0.266 32.832 32.500 0.110 0.000 0.793 171 K HN -0.161 nan 8.250 nan 0.000 0.494 172 D N 1.524 122.031 120.400 0.179 0.000 2.368 172 D HA 0.117 4.757 4.640 0.000 0.000 0.240 172 D C 0.288 176.691 176.300 0.172 0.000 1.169 172 D CA -0.085 54.072 54.000 0.261 0.000 0.906 172 D CB 0.787 41.815 40.800 0.380 0.000 1.187 172 D HN 0.008 nan 8.370 nan 0.000 0.435 173 I N 1.239 121.909 120.570 0.166 0.000 2.577 173 I HA 0.389 4.559 4.170 0.000 0.000 0.305 173 I C 0.407 176.458 176.117 -0.109 0.000 0.986 173 I CA -0.521 60.725 61.300 -0.090 0.000 1.189 173 I CB 1.081 38.865 38.000 -0.359 0.000 1.355 173 I HN 0.167 nan 8.210 nan 0.000 0.476 174 I N 5.559 125.979 120.570 -0.249 0.000 2.498 174 I HA 0.381 4.552 4.170 0.000 0.000 0.290 174 I C -0.832 175.063 176.117 -0.371 0.000 1.032 174 I CA -0.541 60.633 61.300 -0.210 0.000 1.073 174 I CB 2.473 40.383 38.000 -0.149 0.000 1.251 174 I HN 0.226 nan 8.210 nan 0.000 0.426 175 L N 6.526 127.499 121.223 -0.417 0.000 2.316 175 L HA 0.540 4.881 4.340 0.000 0.000 0.280 175 L C -0.668 176.035 176.870 -0.278 0.000 1.006 175 L CA -0.340 54.100 54.840 -0.666 0.000 0.836 175 L CB 1.306 42.505 42.059 -1.433 0.000 1.221 175 L HN 0.561 nan 8.230 nan 0.000 0.418 176 N N 5.472 124.157 118.700 -0.026 0.000 3.127 176 N HA 0.118 4.859 4.740 0.000 0.000 0.239 176 N C -2.336 173.311 175.510 0.227 0.000 1.200 176 N CA -0.932 52.274 53.050 0.260 0.000 0.924 176 N CB 2.177 40.822 38.487 0.264 0.000 1.583 176 N HN 0.104 nan 8.380 nan 0.000 0.645 177 P HA -0.146 nan 4.420 nan 0.000 0.219 177 P C 0.277 177.428 177.300 -0.249 0.000 1.144 177 P CA 1.386 64.466 63.100 -0.035 0.000 0.806 177 P CB 0.074 31.682 31.700 -0.153 0.000 0.771 178 Y N -1.261 119.159 120.300 0.200 0.000 2.555 178 Y HA 0.277 4.827 4.550 0.000 0.000 0.259 178 Y C 0.895 176.845 175.900 0.083 0.000 1.179 178 Y CA -0.636 57.588 58.100 0.208 0.000 1.230 178 Y CB 0.160 38.825 38.460 0.341 0.000 1.146 178 Y HN -0.069 nan 8.280 nan 0.000 0.526 179 D N 0.636 121.073 120.400 0.062 0.000 2.217 179 D HA 0.053 4.694 4.640 0.000 0.000 0.243 179 D C 0.609 176.812 176.300 -0.162 0.000 1.054 179 D CA -0.186 53.683 54.000 -0.218 0.000 0.838 179 D CB 1.777 42.472 40.800 -0.175 0.000 1.162 179 D HN 0.194 nan 8.370 nan 0.000 0.472 180 Q N 2.509 122.185 119.800 -0.207 0.000 2.364 180 Q HA -0.116 4.225 4.340 0.000 0.000 0.209 180 Q C 1.277 177.211 176.000 -0.109 0.000 0.977 180 Q CA 1.309 57.034 55.803 -0.129 0.000 0.885 180 Q CB 0.309 28.971 28.738 -0.127 0.000 0.941 180 Q HN 0.394 nan 8.270 nan 0.000 0.464 181 R N -0.931 119.490 120.500 -0.131 0.000 2.280 181 R HA 0.105 4.445 4.340 0.000 0.000 0.195 181 R C 0.342 176.574 176.300 -0.114 0.000 0.935 181 R CA 0.294 56.327 56.100 -0.113 0.000 1.033 181 R CB 0.364 30.588 30.300 -0.127 0.000 0.964 181 R HN 0.096 nan 8.270 nan 0.000 0.489 182 T N 1.925 116.410 114.554 -0.114 0.000 2.908 182 T HA -0.017 4.333 4.350 0.000 0.000 0.325 182 T C 0.464 175.085 174.700 -0.131 0.000 1.092 182 T CA 0.304 62.323 62.100 -0.135 0.000 1.125 182 T CB 0.663 69.480 68.868 -0.084 0.000 1.016 182 T HN -0.098 nan 8.240 nan 0.000 0.550 183 K N 0.995 121.265 120.400 -0.217 0.000 2.098 183 K HA 0.459 4.779 4.320 0.000 0.000 0.257 183 K C 0.643 177.244 176.600 0.002 0.000 0.999 183 K CA -0.427 55.762 56.287 -0.162 0.000 0.924 183 K CB 1.238 33.463 32.500 -0.458 0.000 1.028 183 K HN 0.789 nan 8.250 nan 0.000 0.466 184 G N 0.490 109.363 108.800 0.121 0.000 2.395 184 G HA2 0.373 4.333 3.960 0.000 0.000 0.283 184 G HA3 0.373 4.333 3.960 0.000 0.000 0.283 184 G C -1.357 173.779 174.900 0.393 0.000 1.178 184 G CA -0.352 44.871 45.100 0.206 0.000 0.837 184 G HN 0.636 nan 8.290 nan 0.000 0.518 185 W N 1.537 122.952 121.300 0.192 0.000 3.275 185 W HA 0.554 5.215 4.660 0.000 0.000 0.306 185 W C -0.700 176.005 176.519 0.310 0.000 1.259 185 W CA -0.555 56.953 57.345 0.273 0.000 1.194 185 W CB 1.582 31.247 29.460 0.341 0.000 1.375 185 W HN 0.980 nan 8.180 nan 0.000 0.564 186 S N 2.622 117.931 115.700 -0.653 0.000 2.550 186 S HA 0.374 4.844 4.470 0.000 0.000 0.270 186 S C -0.149 173.614 174.600 -1.395 0.000 1.145 186 S CA -0.431 57.384 58.200 -0.641 0.000 0.852 186 S CB 0.739 63.969 63.200 0.049 0.000 1.119 186 S HN 1.095 nan 8.310 nan 0.000 0.465 187 F N 0.719 119.992 119.950 -1.128 0.000 2.546 187 F HA 0.257 4.785 4.527 0.001 0.000 0.298 187 F C 1.053 176.539 175.800 -0.523 0.000 1.120 187 F CA -0.036 57.511 58.000 -0.754 0.000 1.456 187 F CB -1.050 37.796 39.000 -0.257 0.000 1.088 187 F HN 0.492 nan 8.300 nan 0.000 0.572 188 F N 1.649 120.999 119.950 -1.001 0.000 2.171 188 F HA -0.173 4.355 4.527 0.001 0.000 0.300 188 F C 1.975 177.417 175.800 -0.597 0.000 1.090 188 F CA 1.409 58.908 58.000 -0.835 0.000 1.293 188 F CB -0.951 37.755 39.000 -0.489 0.000 1.013 188 F HN 0.028 nan 8.300 nan 0.000 0.486 189 N N 0.325 118.828 118.700 -0.327 0.000 2.585 189 N HA -0.129 4.611 4.740 0.000 0.000 0.188 189 N C 1.136 176.478 175.510 -0.279 0.000 1.102 189 N CA 0.862 53.758 53.050 -0.257 0.000 0.920 189 N CB -0.348 38.013 38.487 -0.209 0.000 0.963 189 N HN 0.416 nan 8.380 nan 0.000 0.447 190 E N 0.023 119.975 120.200 -0.414 0.000 2.476 190 E HA 0.126 4.476 4.350 0.000 0.000 0.199 190 E C 0.315 176.567 176.600 -0.580 0.000 1.021 190 E CA -0.157 55.931 56.400 -0.519 0.000 0.907 190 E CB 0.708 29.900 29.700 -0.846 0.000 0.974 190 E HN 0.203 nan 8.360 nan 0.000 0.489 191 I N 2.563 122.790 120.570 -0.571 0.000 2.436 191 I HA 0.069 4.239 4.170 0.000 0.000 0.289 191 I C 1.392 177.259 176.117 -0.416 0.000 1.083 191 I CA 0.260 61.186 61.300 -0.624 0.000 1.372 191 I CB 0.610 37.974 38.000 -1.060 0.000 1.408 191 I HN -0.095 nan 8.210 nan 0.000 0.516 192 R N 4.072 124.370 120.500 -0.337 0.000 2.191 192 R HA 0.267 4.607 4.340 0.000 0.000 0.187 192 R C 0.539 176.734 176.300 -0.175 0.000 1.078 192 R CA 0.274 56.254 56.100 -0.199 0.000 1.139 192 R CB 0.043 30.276 30.300 -0.113 0.000 1.120 192 R HN 0.546 nan 8.270 nan 0.000 0.536 193 N N 0.623 119.179 118.700 -0.240 0.000 2.823 193 N HA 0.067 4.807 4.740 0.000 0.000 0.324 193 N C 0.233 175.645 175.510 -0.163 0.000 1.336 193 N CA -0.242 52.737 53.050 -0.119 0.000 0.861 193 N CB 0.593 39.117 38.487 0.062 0.000 1.157 193 N HN -0.094 nan 8.380 nan 0.000 0.585 194 D N -0.803 119.628 120.400 0.051 0.000 2.240 194 D HA -0.031 4.609 4.640 0.000 0.000 0.206 194 D C 1.625 178.041 176.300 0.193 0.000 0.963 194 D CA 0.643 54.767 54.000 0.206 0.000 0.863 194 D CB 0.024 40.978 40.800 0.257 0.000 0.973 194 D HN 0.565 nan 8.370 nan 0.000 0.501 195 Y N -0.416 119.953 120.300 0.114 0.000 2.574 195 Y HA 0.047 4.597 4.550 0.000 0.000 0.294 195 Y C 1.082 177.033 175.900 0.085 0.000 1.142 195 Y CA 0.557 58.717 58.100 0.099 0.000 1.314 195 Y CB -0.404 38.089 38.460 0.055 0.000 0.991 195 Y HN -0.169 nan 8.280 nan 0.000 0.555 196 D N 0.091 120.141 120.400 -0.585 0.000 2.269 196 D HA -0.116 4.524 4.640 0.000 0.000 0.208 196 D C 1.297 177.563 176.300 -0.057 0.000 0.963 196 D CA 0.972 54.731 54.000 -0.401 0.000 0.864 196 D CB -0.479 40.057 40.800 -0.440 0.000 0.936 196 D HN 0.576 nan 8.370 nan 0.000 0.505 197 W N 1.142 122.466 121.300 0.040 0.000 2.379 197 W HA -0.161 4.500 4.660 0.000 0.000 0.307 197 W C 2.640 179.235 176.519 0.127 0.000 1.200 197 W CA 0.477 57.890 57.345 0.114 0.000 1.297 197 W CB -0.273 29.234 29.460 0.078 0.000 1.140 197 W HN -0.030 nan 8.180 nan 0.000 0.507 198 Q N 1.215 121.198 119.800 0.305 0.000 2.083 198 Q HA -0.149 4.191 4.340 0.000 0.000 0.198 198 Q C 2.196 178.254 176.000 0.097 0.000 0.969 198 Q CA 1.740 57.652 55.803 0.182 0.000 0.838 198 Q CB -0.538 28.285 28.738 0.142 0.000 0.900 198 Q HN 0.226 nan 8.270 nan 0.000 0.436 199 R N -1.190 119.327 120.500 0.029 0.000 2.103 199 R HA -0.196 4.144 4.340 0.000 0.000 0.242 199 R C 1.064 177.179 176.300 -0.310 0.000 1.142 199 R CA 1.829 57.829 56.100 -0.167 0.000 0.960 199 R CB -0.248 29.878 30.300 -0.289 0.000 0.858 199 R HN 0.406 nan 8.270 nan 0.000 0.439 200 Y N -1.122 119.250 120.300 0.120 0.000 2.457 200 Y HA 0.311 4.861 4.550 0.000 0.000 0.263 200 Y C 1.856 177.827 175.900 0.119 0.000 1.164 200 Y CA 0.275 58.474 58.100 0.165 0.000 1.274 200 Y CB 0.444 39.047 38.460 0.240 0.000 1.097 200 Y HN 0.187 nan 8.280 nan 0.000 0.523 201 A N -0.600 122.329 122.820 0.182 0.000 2.021 201 A HA -0.031 4.289 4.320 0.000 0.000 0.216 201 A C 1.892 179.484 177.584 0.014 0.000 1.163 201 A CA 0.833 52.898 52.037 0.047 0.000 0.676 201 A CB -0.468 18.593 19.000 0.102 0.000 0.818 201 A HN 0.322 nan 8.150 nan 0.000 0.453 202 L N -0.131 121.112 121.223 0.034 0.000 2.201 202 L HA -0.011 4.329 4.340 0.000 0.000 0.212 202 L C 2.449 179.333 176.870 0.024 0.000 1.105 202 L CA 1.846 56.694 54.840 0.013 0.000 0.775 202 L CB -0.689 41.368 42.059 -0.003 0.000 0.913 202 L HN 0.319 nan 8.230 nan 0.000 0.440 203 S N -1.605 114.134 115.700 0.066 0.000 2.371 203 S HA -0.054 4.416 4.470 0.000 0.000 0.221 203 S C 1.954 176.605 174.600 0.085 0.000 1.036 203 S CA 1.004 59.274 58.200 0.117 0.000 0.965 203 S CB -0.046 63.315 63.200 0.268 0.000 0.845 203 S HN 0.237 nan 8.310 nan 0.000 0.475 204 V N 1.358 121.291 119.914 0.032 0.000 2.427 204 V HA 0.008 4.128 4.120 0.000 0.000 0.248 204 V C 0.706 176.749 176.094 -0.085 0.000 1.051 204 V CA 0.957 63.205 62.300 -0.088 0.000 1.048 204 V CB -0.410 31.162 31.823 -0.419 0.000 0.666 204 V HN 0.265 nan 8.190 nan 0.000 0.456 205 V N 3.248 123.126 119.914 -0.060 0.000 2.250 205 V HA 0.319 4.439 4.120 0.000 0.000 0.268 205 V C -2.128 173.956 176.094 -0.017 0.000 1.043 205 V CA -1.692 60.588 62.300 -0.033 0.000 0.814 205 V CB 0.952 32.759 31.823 -0.027 0.000 1.072 205 V HN 0.295 nan 8.190 nan 0.000 0.451 206 P HA 0.136 nan 4.420 nan 0.000 0.272 206 P C -0.209 177.062 177.300 -0.048 0.000 1.254 206 P CA -0.448 62.633 63.100 -0.032 0.000 0.795 206 P CB 0.783 32.456 31.700 -0.045 0.000 1.022 207 R N -0.093 120.362 120.500 -0.075 0.000 2.623 207 R HA 0.251 4.591 4.340 0.000 0.000 0.271 207 R C 1.017 177.254 176.300 -0.103 0.000 1.043 207 R CA 0.205 56.251 56.100 -0.089 0.000 1.083 207 R CB -0.758 29.479 30.300 -0.106 0.000 0.974 207 R HN 0.617 nan 8.270 nan 0.000 0.436 208 G N 1.109 109.853 108.800 -0.093 0.000 2.467 208 G HA2 0.016 3.976 3.960 0.000 0.000 0.257 208 G HA3 0.016 3.976 3.960 0.000 0.000 0.257 208 G C 0.873 175.702 174.900 -0.119 0.000 1.227 208 G CA -0.434 44.609 45.100 -0.094 0.000 0.835 208 G HN 0.655 nan 8.290 nan 0.000 0.556 209 K N 0.033 120.370 120.400 -0.105 0.000 2.032 209 K HA -0.098 4.223 4.320 0.000 0.000 0.209 209 K C 1.520 178.056 176.600 -0.106 0.000 1.048 209 K CA 1.707 57.933 56.287 -0.102 0.000 0.927 209 K CB -0.252 32.205 32.500 -0.072 0.000 0.712 209 K HN 0.634 nan 8.250 nan 0.000 0.441 210 T N -2.079 112.393 114.554 -0.137 0.000 2.910 210 T HA 0.170 4.520 4.350 0.000 0.000 0.279 210 T C 0.570 175.155 174.700 -0.192 0.000 0.989 210 T CA -0.808 61.199 62.100 -0.155 0.000 0.968 210 T CB 1.253 70.013 68.868 -0.181 0.000 1.135 210 T HN -0.042 nan 8.240 nan 0.000 0.562 211 D N -0.244 120.049 120.400 -0.178 0.000 2.183 211 D HA -0.049 4.591 4.640 0.000 0.000 0.203 211 D C 1.805 177.938 176.300 -0.279 0.000 0.969 211 D CA 1.086 54.976 54.000 -0.182 0.000 0.842 211 D CB -0.042 40.681 40.800 -0.129 0.000 0.957 211 D HN 0.853 nan 8.370 nan 0.000 0.484 212 E N 0.560 120.535 120.200 -0.375 0.000 2.072 212 E HA -0.082 4.269 4.350 0.000 0.000 0.190 212 E C 1.968 177.936 176.600 -1.053 0.000 0.982 212 E CA 0.897 56.925 56.400 -0.621 0.000 0.803 212 E CB 0.058 29.387 29.700 -0.618 0.000 0.755 212 E HN 0.122 nan 8.360 nan 0.000 0.453 213 A N 0.902 123.207 122.820 -0.859 0.000 1.972 213 A HA -0.205 4.115 4.320 0.000 0.000 0.219 213 A C 2.039 179.437 177.584 -0.310 0.000 1.169 213 A CA 1.747 53.390 52.037 -0.657 0.000 0.635 213 A CB -0.512 18.309 19.000 -0.297 0.000 0.810 213 A HN 0.330 nan 8.150 nan 0.000 0.446 214 E N 0.424 120.453 120.200 -0.284 0.000 2.208 214 E HA -0.157 4.193 4.350 0.000 0.000 0.193 214 E C 1.837 178.309 176.600 -0.213 0.000 0.988 214 E CA 1.433 57.724 56.400 -0.182 0.000 0.828 214 E CB -0.291 29.316 29.700 -0.154 0.000 0.763 214 E HN 0.714 nan 8.360 nan 0.000 0.478 215 E N -0.598 119.416 120.200 -0.311 0.000 2.031 215 E HA -0.183 4.167 4.350 0.000 0.000 0.193 215 E C 1.451 177.815 176.600 -0.393 0.000 0.994 215 E CA 1.427 57.611 56.400 -0.360 0.000 0.800 215 E CB -0.270 29.260 29.700 -0.283 0.000 0.752 215 E HN 0.364 nan 8.360 nan 0.000 0.447 216 W N 0.512 121.705 121.300 -0.180 0.000 2.338 216 W HA -0.070 4.590 4.660 -0.000 0.000 0.304 216 W C 2.501 178.995 176.519 -0.041 0.000 1.212 216 W CA 0.960 58.300 57.345 -0.009 0.000 1.264 216 W CB -1.347 28.164 29.460 0.085 0.000 1.142 216 W HN 0.244 nan 8.180 nan 0.000 0.512 217 A N 0.047 122.958 122.820 0.151 0.000 1.978 217 A HA -0.178 4.142 4.320 0.000 0.000 0.220 217 A C 2.242 179.837 177.584 0.019 0.000 1.170 217 A CA 2.222 54.306 52.037 0.079 0.000 0.636 217 A CB -0.953 18.060 19.000 0.022 0.000 0.810 217 A HN 0.184 nan 8.150 nan 0.000 0.448 218 S N -1.230 114.408 115.700 -0.105 0.000 2.368 218 S HA -0.120 4.350 4.470 0.000 0.000 0.225 218 S C 1.820 176.433 174.600 0.021 0.000 1.030 218 S CA 1.457 59.585 58.200 -0.120 0.000 0.999 218 S CB -0.499 62.535 63.200 -0.277 0.000 0.844 218 S HN 0.680 nan 8.310 nan 0.000 0.459 219 Y N 1.639 122.060 120.300 0.201 0.000 2.242 219 Y HA 0.041 4.591 4.550 0.000 0.000 0.291 219 Y C 2.718 178.782 175.900 0.275 0.000 1.137 219 Y CA 0.226 58.507 58.100 0.302 0.000 1.181 219 Y CB -1.438 37.232 38.460 0.350 0.000 0.989 219 Y HN 0.298 nan 8.280 nan 0.000 0.527 220 G N -0.038 108.941 108.800 0.298 0.000 2.422 220 G HA2 -0.233 3.728 3.960 0.000 0.000 0.218 220 G HA3 -0.233 3.728 3.960 0.000 0.000 0.218 220 G C 1.835 176.814 174.900 0.132 0.000 1.146 220 G CA 0.763 45.966 45.100 0.172 0.000 0.769 220 G HN 0.308 nan 8.290 nan 0.000 0.547 221 R N -0.562 120.008 120.500 0.118 0.000 2.075 221 R HA 0.049 4.389 4.340 0.000 0.000 0.232 221 R C 2.469 178.839 176.300 0.117 0.000 1.126 221 R CA 1.028 57.179 56.100 0.084 0.000 0.963 221 R CB -0.563 29.772 30.300 0.059 0.000 0.858 221 R HN 0.386 nan 8.270 nan 0.000 0.435 222 L N 1.261 122.582 121.223 0.163 0.000 1.989 222 L HA -0.167 4.173 4.340 0.000 0.000 0.211 222 L C 2.095 179.084 176.870 0.199 0.000 1.071 222 L CA 1.613 56.538 54.840 0.141 0.000 0.749 222 L CB -0.686 41.433 42.059 0.100 0.000 0.890 222 L HN 0.116 nan 8.230 nan 0.000 0.431 223 L N -0.936 120.493 121.223 0.344 0.000 2.042 223 L HA -0.170 4.170 4.340 0.000 0.000 0.210 223 L C 2.336 179.288 176.870 0.136 0.000 1.076 223 L CA 1.992 57.008 54.840 0.292 0.000 0.749 223 L CB -0.900 41.245 42.059 0.144 0.000 0.893 223 L HN 0.455 nan 8.230 nan 0.000 0.432 224 L N 0.321 121.603 121.223 0.098 0.000 1.976 224 L HA -0.210 4.130 4.340 0.000 0.000 0.209 224 L C 2.868 179.792 176.870 0.089 0.000 1.071 224 L CA 2.431 57.306 54.840 0.058 0.000 0.746 224 L CB -0.884 41.165 42.059 -0.016 0.000 0.890 224 L HN 0.532 nan 8.230 nan 0.000 0.432 225 R N -1.152 119.404 120.500 0.094 0.000 2.096 225 R HA -0.142 4.199 4.340 0.000 0.000 0.235 225 R C 1.875 178.101 176.300 -0.124 0.000 1.127 225 R CA 1.565 57.711 56.100 0.077 0.000 0.968 225 R CB -0.720 29.661 30.300 0.135 0.000 0.861 225 R HN 0.342 nan 8.270 nan 0.000 0.440 226 E N 0.580 120.748 120.200 -0.054 0.000 2.072 226 E HA -0.064 4.286 4.350 0.000 0.000 0.190 226 E C 2.012 178.576 176.600 -0.059 0.000 0.982 226 E CA 1.758 58.100 56.400 -0.096 0.000 0.803 226 E CB -0.291 29.394 29.700 -0.024 0.000 0.755 226 E HN 0.435 nan 8.360 nan 0.000 0.453 227 T N 0.899 115.489 114.554 0.060 0.000 2.951 227 T HA -0.010 4.340 4.350 0.000 0.000 0.268 227 T C 1.831 176.639 174.700 0.180 0.000 1.073 227 T CA 1.110 63.327 62.100 0.196 0.000 1.134 227 T CB -0.003 68.977 68.868 0.186 0.000 0.884 227 T HN 0.212 nan 8.240 nan 0.000 0.479 228 A N 1.629 124.494 122.820 0.076 0.000 1.874 228 A HA 0.061 4.381 4.320 0.000 0.000 0.214 228 A C 2.243 179.680 177.584 -0.245 0.000 1.189 228 A CA 1.144 53.252 52.037 0.118 0.000 0.615 228 A CB -0.429 18.682 19.000 0.185 0.000 0.830 228 A HN 0.335 nan 8.150 nan 0.000 0.443 229 K N -0.031 119.878 120.400 -0.817 0.000 2.044 229 K HA -0.256 4.064 4.320 0.000 0.000 0.210 229 K C 2.196 178.582 176.600 -0.356 0.000 1.049 229 K CA 2.099 57.753 56.287 -1.054 0.000 0.927 229 K CB -0.162 31.753 32.500 -0.975 0.000 0.713 229 K HN 0.483 nan 8.250 nan 0.000 0.443 230 K N 0.842 121.108 120.400 -0.222 0.000 2.001 230 K HA -0.112 4.209 4.320 0.000 0.000 0.208 230 K C 2.123 178.701 176.600 -0.038 0.000 1.048 230 K CA 1.216 57.407 56.287 -0.159 0.000 0.932 230 K CB -0.174 32.165 32.500 -0.270 0.000 0.715 230 K HN 0.087 nan 8.250 nan 0.000 0.437 231 L N 0.659 121.951 121.223 0.115 0.000 2.129 231 L HA -0.217 4.124 4.340 0.000 0.000 0.212 231 L C 2.594 179.531 176.870 0.110 0.000 1.087 231 L CA 1.218 56.175 54.840 0.194 0.000 0.757 231 L CB -0.584 41.668 42.059 0.322 0.000 0.896 231 L HN 0.401 nan 8.230 nan 0.000 0.434 232 A N 0.089 122.993 122.820 0.141 0.000 1.898 232 A HA -0.127 4.193 4.320 0.000 0.000 0.216 232 A C 2.217 179.847 177.584 0.077 0.000 1.181 232 A CA 1.162 53.289 52.037 0.150 0.000 0.620 232 A CB -0.516 18.713 19.000 0.382 0.000 0.819 232 A HN 0.340 nan 8.150 nan 0.000 0.442 233 L N 0.063 121.312 121.223 0.043 0.000 1.994 233 L HA -0.160 4.180 4.340 0.000 0.000 0.208 233 L C 2.537 179.405 176.870 -0.004 0.000 1.071 233 L CA 1.738 56.584 54.840 0.011 0.000 0.745 233 L CB -0.787 41.253 42.059 -0.031 0.000 0.892 233 L HN 0.660 nan 8.230 nan 0.000 0.431 234 I N -1.881 118.680 120.570 -0.014 0.000 3.010 234 I HA 0.026 4.197 4.170 0.000 0.000 0.271 234 I C 1.369 177.492 176.117 0.010 0.000 1.293 234 I CA 0.927 62.221 61.300 -0.009 0.000 1.452 234 I CB -0.666 37.334 38.000 -0.001 0.000 1.082 234 I HN 0.403 nan 8.210 nan 0.000 0.484 235 G N 1.796 110.601 108.800 0.008 0.000 2.157 235 G HA2 -0.269 3.692 3.960 0.000 0.000 0.248 235 G HA3 -0.269 3.692 3.960 0.000 0.000 0.248 235 G C 0.444 175.335 174.900 -0.015 0.000 0.979 235 G CA 0.367 45.465 45.100 -0.003 0.000 0.650 235 G HN 0.799 nan 8.290 nan 0.000 0.529 236 T N -1.129 113.424 114.554 -0.003 0.000 3.390 236 T HA 0.634 4.984 4.350 0.000 0.000 0.351 236 T C -2.028 172.623 174.700 -0.081 0.000 1.759 236 T CA -1.137 60.952 62.100 -0.018 0.000 1.561 236 T CB 2.120 71.018 68.868 0.049 0.000 1.011 236 T HN 0.173 nan 8.240 nan 0.000 0.689 237 P HA 0.189 nan 4.420 nan 0.000 0.226 237 P C -0.104 176.688 177.300 -0.847 0.000 1.783 237 P CA -0.095 62.558 63.100 -0.746 0.000 0.980 237 P CB -0.598 30.601 31.700 -0.836 0.000 1.967 238 S N 0.832 116.351 115.700 -0.301 0.000 2.509 238 S HA 0.410 4.880 4.470 0.000 0.000 0.297 238 S C 1.246 175.948 174.600 0.170 0.000 1.118 238 S CA -0.796 57.353 58.200 -0.084 0.000 1.074 238 S CB 1.238 64.431 63.200 -0.012 0.000 1.038 238 S HN -0.131 nan 8.310 nan 0.000 0.498 239 M N 1.739 121.501 119.600 0.270 0.000 2.296 239 M HA 0.067 4.547 4.480 0.000 0.000 0.265 239 M C 2.014 178.483 176.300 0.281 0.000 1.064 239 M CA 1.146 56.669 55.300 0.373 0.000 1.109 239 M CB -1.325 31.485 32.600 0.351 0.000 1.396 239 M HN 0.804 nan 8.290 nan 0.000 0.430 240 R N 0.018 120.631 120.500 0.188 0.000 2.075 240 R HA -0.122 4.218 4.340 0.000 0.000 0.232 240 R C 2.215 178.622 176.300 0.179 0.000 1.126 240 R CA 1.067 57.262 56.100 0.159 0.000 0.963 240 R CB 0.059 30.405 30.300 0.078 0.000 0.858 240 R HN 0.213 nan 8.270 nan 0.000 0.435 241 E N 0.433 120.723 120.200 0.149 0.000 2.047 241 E HA -0.157 4.193 4.350 0.000 0.000 0.191 241 E C 1.872 178.611 176.600 0.231 0.000 0.987 241 E CA 0.766 57.243 56.400 0.128 0.000 0.799 241 E CB -0.276 29.544 29.700 0.199 0.000 0.752 241 E HN 0.115 nan 8.360 nan 0.000 0.449 242 L N 0.398 121.815 121.223 0.322 0.000 2.012 242 L HA -0.158 4.183 4.340 0.000 0.000 0.210 242 L C 2.255 179.268 176.870 0.239 0.000 1.073 242 L CA 1.649 56.689 54.840 0.334 0.000 0.748 242 L CB -0.940 41.372 42.059 0.422 0.000 0.891 242 L HN 0.104 nan 8.230 nan 0.000 0.431 243 F N -0.703 119.309 119.950 0.103 0.000 2.216 243 F HA -0.231 4.296 4.527 0.000 0.000 0.300 243 F C 2.662 178.441 175.800 -0.034 0.000 1.085 243 F CA 1.948 59.968 58.000 0.034 0.000 1.326 243 F CB -0.432 38.597 39.000 0.049 0.000 1.027 243 F HN 0.403 nan 8.300 nan 0.000 0.497 244 H N -1.068 117.950 119.070 -0.087 0.000 2.307 244 H HA -0.191 4.365 4.556 0.001 0.000 0.303 244 H C 2.122 177.178 175.328 -0.453 0.000 1.073 244 H CA 2.304 58.155 56.048 -0.328 0.000 1.338 244 H CB -1.006 28.513 29.762 -0.405 0.000 1.389 244 H HN 0.425 nan 8.280 nan 0.000 0.503 245 W N 1.209 122.374 121.300 -0.226 0.000 2.332 245 W HA -0.216 4.444 4.660 0.000 0.000 0.321 245 W C 3.077 179.329 176.519 -0.445 0.000 1.219 245 W CA 2.158 59.249 57.345 -0.424 0.000 1.277 245 W CB -0.593 28.470 29.460 -0.663 0.000 1.161 245 W HN 0.330 nan 8.180 nan 0.000 0.476 246 T N -4.052 110.427 114.554 -0.125 0.000 3.007 246 T HA -0.082 4.268 4.350 0.000 0.000 0.270 246 T C 1.284 175.758 174.700 -0.377 0.000 1.107 246 T CA 1.782 63.751 62.100 -0.219 0.000 1.118 246 T CB -0.353 68.429 68.868 -0.143 0.000 0.889 246 T HN 0.015 nan 8.240 nan 0.000 0.506 247 T N 0.208 114.438 114.554 -0.540 0.000 3.057 247 T HA 0.405 4.755 4.350 0.000 0.000 0.254 247 T C 1.450 175.806 174.700 -0.573 0.000 0.965 247 T CA -0.215 61.495 62.100 -0.649 0.000 0.978 247 T CB 0.307 68.506 68.868 -1.115 0.000 1.169 247 T HN 0.174 nan 8.240 nan 0.000 0.489 248 I N 1.551 121.718 120.570 -0.673 0.000 3.081 248 I HA 0.369 4.539 4.170 0.000 0.000 0.274 248 I C 1.483 177.226 176.117 -0.623 0.000 1.178 248 I CA 0.079 61.018 61.300 -0.601 0.000 1.460 248 I CB -1.268 36.381 38.000 -0.584 0.000 1.137 248 I HN 0.084 nan 8.210 nan 0.000 0.443 249 A N 2.012 124.337 122.820 -0.824 0.000 2.520 249 A HA 0.248 4.568 4.320 0.000 0.000 0.235 249 A C 0.989 178.457 177.584 -0.195 0.000 1.065 249 A CA 0.227 51.984 52.037 -0.467 0.000 0.764 249 A CB -0.323 18.535 19.000 -0.236 0.000 1.002 249 A HN 0.495 nan 8.150 nan 0.000 0.502 250 T N -0.375 114.141 114.554 -0.063 0.000 2.856 250 T HA 0.206 4.556 4.350 0.000 0.000 0.306 250 T C 0.853 175.584 174.700 0.052 0.000 1.062 250 T CA 0.265 62.371 62.100 0.011 0.000 1.083 250 T CB 0.083 68.979 68.868 0.046 0.000 0.984 250 T HN 0.423 nan 8.240 nan 0.000 0.542 251 F N 1.175 121.076 119.950 -0.081 0.000 2.091 251 F HA -0.105 4.423 4.527 0.000 0.000 0.299 251 F C 2.178 177.959 175.800 -0.033 0.000 1.103 251 F CA 2.228 60.178 58.000 -0.082 0.000 1.228 251 F CB -0.447 38.498 39.000 -0.092 0.000 0.984 251 F HN 0.639 nan 8.300 nan 0.000 0.477 252 D N -0.084 120.420 120.400 0.174 0.000 2.117 252 D HA -0.158 4.483 4.640 0.000 0.000 0.197 252 D C 1.907 178.256 176.300 0.082 0.000 0.987 252 D CA 1.486 55.551 54.000 0.109 0.000 0.829 252 D CB -0.494 40.365 40.800 0.099 0.000 0.961 252 D HN 0.284 nan 8.370 nan 0.000 0.460 253 D N 0.225 120.693 120.400 0.114 0.000 2.144 253 D HA -0.094 4.546 4.640 0.000 0.000 0.200 253 D C 2.246 178.655 176.300 0.183 0.000 0.978 253 D CA 0.162 54.277 54.000 0.192 0.000 0.833 253 D CB -0.234 40.745 40.800 0.298 0.000 0.961 253 D HN 0.209 nan 8.370 nan 0.000 0.470 254 L N 0.578 121.858 121.223 0.096 0.000 2.027 254 L HA -0.140 4.200 4.340 0.000 0.000 0.206 254 L C 2.569 179.422 176.870 -0.029 0.000 1.074 254 L CA 1.167 56.010 54.840 0.005 0.000 0.745 254 L CB -0.042 41.906 42.059 -0.184 0.000 0.898 254 L HN -0.050 nan 8.230 nan 0.000 0.433 255 R N -0.611 119.844 120.500 -0.075 0.000 2.103 255 R HA -0.182 4.158 4.340 0.000 0.000 0.242 255 R C 2.128 178.423 176.300 -0.007 0.000 1.142 255 R CA 1.407 57.483 56.100 -0.041 0.000 0.960 255 R CB -0.645 29.644 30.300 -0.018 0.000 0.858 255 R HN 0.519 nan 8.270 nan 0.000 0.439 256 G N 0.256 109.062 108.800 0.010 0.000 2.414 256 G HA2 -0.295 3.665 3.960 0.000 0.000 0.215 256 G HA3 -0.295 3.665 3.960 0.000 0.000 0.215 256 G C 1.245 176.107 174.900 -0.062 0.000 1.188 256 G CA 0.375 45.470 45.100 -0.008 0.000 0.783 256 G HN 0.305 nan 8.290 nan 0.000 0.537 257 F N 1.319 121.107 119.950 -0.271 0.000 2.154 257 F HA -0.047 4.480 4.527 0.000 0.000 0.301 257 F C 2.277 177.882 175.800 -0.325 0.000 1.087 257 F CA 1.235 58.955 58.000 -0.465 0.000 1.274 257 F CB -0.042 38.413 39.000 -0.908 0.000 1.009 257 F HN 0.031 nan 8.300 nan 0.000 0.485 258 L N -0.023 121.166 121.223 -0.057 0.000 2.551 258 L HA -0.049 4.291 4.340 0.000 0.000 0.228 258 L C 0.509 177.304 176.870 -0.126 0.000 1.153 258 L CA 0.250 55.050 54.840 -0.068 0.000 0.851 258 L CB -0.828 41.258 42.059 0.046 0.000 0.959 258 L HN 0.047 nan 8.230 nan 0.000 0.451 259 E N 0.390 120.504 120.200 -0.143 0.000 2.417 259 E HA 0.174 4.524 4.350 0.000 0.000 0.261 259 E C 1.080 177.585 176.600 -0.159 0.000 1.000 259 E CA 0.668 56.995 56.400 -0.122 0.000 0.919 259 E CB 0.459 30.096 29.700 -0.105 0.000 0.955 259 E HN 0.304 nan 8.360 nan 0.000 0.455 260 G N 2.748 111.475 108.800 -0.121 0.000 2.213 260 G HA2 -0.283 3.677 3.960 0.000 0.000 0.226 260 G HA3 -0.283 3.677 3.960 0.000 0.000 0.226 260 G C 0.501 175.326 174.900 -0.124 0.000 0.992 260 G CA 0.226 45.251 45.100 -0.124 0.000 0.632 260 G HN 0.673 nan 8.290 nan 0.000 0.511 261 T N -1.218 113.258 114.554 -0.130 0.000 2.912 261 T HA 0.705 5.055 4.350 0.000 0.000 0.280 261 T C 1.624 176.270 174.700 -0.091 0.000 0.989 261 T CA -0.194 61.834 62.100 -0.119 0.000 0.995 261 T CB 1.549 70.341 68.868 -0.126 0.000 1.077 261 T HN 0.253 nan 8.240 nan 0.000 0.531 262 L N 0.444 121.614 121.223 -0.088 0.000 2.362 262 L HA 0.089 4.429 4.340 0.000 0.000 0.219 262 L C 2.794 179.600 176.870 -0.107 0.000 1.134 262 L CA 1.076 55.866 54.840 -0.083 0.000 0.807 262 L CB -0.644 41.372 42.059 -0.072 0.000 0.927 262 L HN 0.923 nan 8.230 nan 0.000 0.447 263 A N -0.549 122.208 122.820 -0.105 0.000 2.218 263 A HA -0.097 4.223 4.320 0.000 0.000 0.209 263 A C 2.125 179.666 177.584 -0.070 0.000 1.168 263 A CA 0.542 52.489 52.037 -0.150 0.000 0.804 263 A CB -0.189 18.788 19.000 -0.039 0.000 0.834 263 A HN 0.437 nan 8.150 nan 0.000 0.482 264 E N 1.149 121.323 120.200 -0.044 0.000 2.065 264 E HA -0.261 4.089 4.350 0.000 0.000 0.201 264 E C 2.003 178.597 176.600 -0.010 0.000 1.016 264 E CA 2.352 58.740 56.400 -0.019 0.000 0.818 264 E CB -0.144 29.529 29.700 -0.044 0.000 0.749 264 E HN 0.660 nan 8.360 nan 0.000 0.453 265 S N -0.136 115.539 115.700 -0.042 0.000 2.458 265 S HA 0.044 4.514 4.470 0.000 0.000 0.223 265 S C 2.083 176.649 174.600 -0.057 0.000 1.019 265 S CA 0.313 58.492 58.200 -0.034 0.000 0.937 265 S CB -0.266 62.912 63.200 -0.038 0.000 0.788 265 S HN 0.299 nan 8.310 nan 0.000 0.511 266 L N -0.509 120.629 121.223 -0.141 0.000 2.131 266 L HA 0.082 4.422 4.340 0.000 0.000 0.210 266 L C 1.399 178.146 176.870 -0.206 0.000 1.092 266 L CA 1.079 55.777 54.840 -0.237 0.000 0.759 266 L CB -0.509 41.297 42.059 -0.421 0.000 0.903 266 L HN 0.269 nan 8.230 nan 0.000 0.435 267 F N 0.019 119.937 119.950 -0.053 0.000 2.645 267 F HA 0.415 4.943 4.527 0.000 0.000 0.300 267 F C 0.830 176.605 175.800 -0.041 0.000 1.115 267 F CA -0.629 57.328 58.000 -0.071 0.000 1.355 267 F CB -0.411 38.530 39.000 -0.098 0.000 1.026 267 F HN -0.095 nan 8.300 nan 0.000 0.536 268 A N -1.679 121.217 122.820 0.127 0.000 2.566 268 A HA 0.695 5.016 4.320 0.000 0.000 0.292 268 A C 0.801 178.416 177.584 0.052 0.000 1.112 268 A CA -0.132 51.959 52.037 0.089 0.000 0.707 268 A CB 1.072 20.113 19.000 0.068 0.000 1.302 268 A HN 0.527 nan 8.150 nan 0.000 0.409 269 G N -0.600 108.228 108.800 0.046 0.000 2.179 269 G HA2 0.282 4.242 3.960 0.000 0.000 0.220 269 G HA3 0.282 4.242 3.960 0.000 0.000 0.220 269 G C 0.191 175.108 174.900 0.027 0.000 0.990 269 G CA 0.596 45.714 45.100 0.029 0.000 0.646 269 G HN 2.716 nan 8.290 nan 0.000 0.517 270 S N -1.852 113.869 115.700 0.035 0.000 2.645 270 S HA 0.468 4.938 4.470 0.000 0.000 0.268 270 S C 0.441 175.060 174.600 0.032 0.000 1.110 270 S CA 0.065 58.281 58.200 0.027 0.000 0.823 270 S CB 0.421 63.635 63.200 0.023 0.000 1.091 270 S HN 0.046 nan 8.310 nan 0.000 0.466 271 N N 0.964 119.677 118.700 0.021 0.000 2.244 271 N HA -0.080 4.660 4.740 0.000 0.000 0.183 271 N C 1.433 176.957 175.510 0.024 0.000 1.016 271 N CA 1.598 54.658 53.050 0.016 0.000 0.866 271 N CB -0.457 38.034 38.487 0.006 0.000 0.980 271 N HN 0.792 nan 8.380 nan 0.000 0.430 272 E N 1.315 121.531 120.200 0.028 0.000 2.106 272 E HA 0.025 4.376 4.350 0.000 0.000 0.192 272 E C 1.768 178.376 176.600 0.013 0.000 0.984 272 E CA 1.154 57.571 56.400 0.029 0.000 0.806 272 E CB -0.268 29.452 29.700 0.034 0.000 0.750 272 E HN 0.292 nan 8.360 nan 0.000 0.458 273 A N -0.272 122.565 122.820 0.030 0.000 1.969 273 A HA -0.096 4.224 4.320 0.000 0.000 0.218 273 A C 2.393 180.043 177.584 0.110 0.000 1.169 273 A CA 1.660 53.733 52.037 0.060 0.000 0.635 273 A CB -0.753 18.290 19.000 0.072 0.000 0.810 273 A HN 0.299 nan 8.150 nan 0.000 0.445 274 S N -0.748 115.013 115.700 0.101 0.000 2.387 274 S HA -0.115 4.355 4.470 0.000 0.000 0.226 274 S C 2.080 176.754 174.600 0.124 0.000 1.026 274 S CA 1.603 59.902 58.200 0.164 0.000 0.972 274 S CB -0.249 63.013 63.200 0.103 0.000 0.814 274 S HN 0.634 nan 8.310 nan 0.000 0.477 275 K N 0.696 121.124 120.400 0.046 0.000 2.057 275 K HA 0.030 4.350 4.320 0.000 0.000 0.206 275 K C 2.175 178.778 176.600 0.005 0.000 1.050 275 K CA 1.128 57.432 56.287 0.028 0.000 0.935 275 K CB -0.497 32.024 32.500 0.035 0.000 0.715 275 K HN 0.332 nan 8.250 nan 0.000 0.439 276 A N 1.779 124.552 122.820 -0.079 0.000 1.908 276 A HA -0.180 4.140 4.320 0.000 0.000 0.218 276 A C 2.146 179.620 177.584 -0.183 0.000 1.181 276 A CA 1.413 53.257 52.037 -0.322 0.000 0.627 276 A CB -0.715 17.884 19.000 -0.667 0.000 0.818 276 A HN 0.448 nan 8.150 nan 0.000 0.445 277 L N -0.515 120.571 121.223 -0.229 0.000 2.093 277 L HA -0.149 4.191 4.340 0.000 0.000 0.208 277 L C 2.558 179.220 176.870 -0.346 0.000 1.085 277 L CA 2.060 56.491 54.840 -0.681 0.000 0.755 277 L CB -0.491 41.159 42.059 -0.681 0.000 0.904 277 L HN 0.446 nan 8.230 nan 0.000 0.435 278 T N -1.221 113.328 114.554 -0.008 0.000 2.821 278 T HA -0.130 4.220 4.350 0.000 0.000 0.267 278 T C 2.015 176.686 174.700 -0.047 0.000 1.046 278 T CA 1.425 63.536 62.100 0.020 0.000 1.139 278 T CB -0.073 68.851 68.868 0.094 0.000 0.871 278 T HN 0.324 nan 8.240 nan 0.000 0.454 279 S N 1.462 117.168 115.700 0.010 0.000 2.368 279 S HA -0.003 4.467 4.470 0.000 0.000 0.225 279 S C 2.631 177.279 174.600 0.079 0.000 1.030 279 S CA 0.902 59.115 58.200 0.021 0.000 0.999 279 S CB -0.583 62.649 63.200 0.054 0.000 0.844 279 S HN 0.605 nan 8.310 nan 0.000 0.459 280 A N 2.474 125.328 122.820 0.055 0.000 1.883 280 A HA -0.159 4.162 4.320 0.000 0.000 0.217 280 A C 2.177 179.713 177.584 -0.080 0.000 1.186 280 A CA 1.258 53.317 52.037 0.037 0.000 0.624 280 A CB -0.490 18.469 19.000 -0.068 0.000 0.822 280 A HN 0.339 nan 8.150 nan 0.000 0.444 281 R N -1.523 118.839 120.500 -0.230 0.000 2.083 281 R HA -0.138 4.202 4.340 0.000 0.000 0.237 281 R C 1.906 178.054 176.300 -0.253 0.000 1.137 281 R CA 1.562 57.471 56.100 -0.319 0.000 0.951 281 R CB -0.880 29.137 30.300 -0.472 0.000 0.851 281 R HN 0.552 nan 8.270 nan 0.000 0.434 282 F N 0.884 120.769 119.950 -0.107 0.000 2.095 282 F HA -0.179 4.349 4.527 0.001 0.000 0.298 282 F C 2.610 178.380 175.800 -0.049 0.000 1.104 282 F CA 0.938 58.881 58.000 -0.096 0.000 1.232 282 F CB -0.964 37.944 39.000 -0.152 0.000 0.987 282 F HN -0.250 nan 8.300 nan 0.000 0.475 283 V N -0.422 119.587 119.914 0.158 0.000 2.287 283 V HA -0.289 3.832 4.120 0.000 0.000 0.248 283 V C 2.360 178.504 176.094 0.084 0.000 1.053 283 V CA 1.411 63.789 62.300 0.130 0.000 1.027 283 V CB -0.772 31.136 31.823 0.141 0.000 0.646 283 V HN 0.191 nan 8.190 nan 0.000 0.447 284 L N 0.978 122.224 121.223 0.038 0.000 2.109 284 L HA -0.081 4.260 4.340 0.000 0.000 0.207 284 L C 2.726 179.643 176.870 0.079 0.000 1.086 284 L CA 2.208 57.060 54.840 0.020 0.000 0.760 284 L CB -1.123 40.913 42.059 -0.038 0.000 0.910 284 L HN 0.578 nan 8.230 nan 0.000 0.437 285 S N -1.812 113.918 115.700 0.049 0.000 2.447 285 S HA -0.179 4.291 4.470 0.000 0.000 0.233 285 S C 1.735 176.468 174.600 0.221 0.000 1.006 285 S CA 1.258 59.539 58.200 0.135 0.000 0.957 285 S CB -0.318 62.907 63.200 0.042 0.000 0.773 285 S HN 0.460 nan 8.310 nan 0.000 0.507 286 D N 1.037 121.531 120.400 0.156 0.000 2.201 286 D HA 0.076 4.716 4.640 0.000 0.000 0.209 286 D C 1.999 178.364 176.300 0.108 0.000 0.961 286 D CA 0.801 54.877 54.000 0.126 0.000 0.861 286 D CB 0.114 40.978 40.800 0.106 0.000 0.997 286 D HN 0.194 nan 8.370 nan 0.000 0.486 287 K N -0.020 120.440 120.400 0.099 0.000 2.242 287 K HA 0.145 4.465 4.320 0.000 0.000 0.200 287 K C 2.194 178.871 176.600 0.128 0.000 1.050 287 K CA 0.203 56.537 56.287 0.080 0.000 0.981 287 K CB -0.117 32.395 32.500 0.019 0.000 0.795 287 K HN 0.265 nan 8.250 nan 0.000 0.477 288 L N 1.079 122.386 121.223 0.140 0.000 2.109 288 L HA -0.048 4.292 4.340 0.000 0.000 0.207 288 L C -0.723 176.219 176.870 0.120 0.000 1.086 288 L CA 0.714 55.656 54.840 0.169 0.000 0.760 288 L CB -1.715 40.525 42.059 0.302 0.000 0.910 288 L HN 0.014 nan 8.230 nan 0.000 0.437 289 P HA -0.276 nan 4.420 nan 0.000 0.222 289 P C 1.321 178.551 177.300 -0.117 0.000 1.159 289 P CA 1.668 64.636 63.100 -0.221 0.000 0.920 289 P CB 0.116 31.780 31.700 -0.060 0.000 0.793 290 E N -2.305 117.892 120.200 -0.004 0.000 2.208 290 E HA -0.161 4.190 4.350 0.000 0.000 0.193 290 E C 1.769 178.354 176.600 -0.026 0.000 0.988 290 E CA 1.119 57.503 56.400 -0.026 0.000 0.828 290 E CB -0.741 28.917 29.700 -0.070 0.000 0.763 290 E HN 0.423 nan 8.360 nan 0.000 0.478 291 H N -1.546 117.525 119.070 0.001 0.000 2.457 291 H HA -0.013 4.543 4.556 0.000 0.000 0.294 291 H C 1.813 177.202 175.328 0.102 0.000 1.064 291 H CA 1.261 57.375 56.048 0.110 0.000 1.330 291 H CB 0.197 30.036 29.762 0.128 0.000 1.395 291 H HN 0.016 nan 8.280 nan 0.000 0.541 292 V N 0.040 120.020 119.914 0.109 0.000 2.407 292 V HA -0.184 3.936 4.120 0.000 0.000 0.245 292 V C 2.487 178.577 176.094 -0.006 0.000 1.041 292 V CA 1.979 64.289 62.300 0.016 0.000 1.040 292 V CB -0.607 31.093 31.823 -0.205 0.000 0.671 292 V HN 0.660 nan 8.190 nan 0.000 0.455 293 T N -3.016 111.511 114.554 -0.045 0.000 3.035 293 T HA 0.014 4.365 4.350 0.000 0.000 0.268 293 T C 0.949 175.607 174.700 -0.070 0.000 1.109 293 T CA 0.365 62.422 62.100 -0.071 0.000 1.119 293 T CB -0.227 68.581 68.868 -0.099 0.000 0.900 293 T HN 0.137 nan 8.240 nan 0.000 0.503 294 M N 2.861 122.468 119.600 0.012 0.000 2.246 294 M HA 0.253 4.734 4.480 0.000 0.000 0.350 294 M C -2.420 173.945 176.300 0.108 0.000 1.406 294 M CA -2.054 53.297 55.300 0.085 0.000 1.089 294 M CB 0.596 33.346 32.600 0.249 0.000 1.782 294 M HN -0.016 nan 8.290 nan 0.000 0.457 295 P HA -0.026 nan 4.420 nan 0.000 0.261 295 P C -1.168 176.209 177.300 0.129 0.000 1.183 295 P CA 0.280 63.422 63.100 0.070 0.000 0.761 295 P CB 0.304 32.028 31.700 0.041 0.000 0.785 296 D N 1.497 121.959 120.400 0.102 0.000 2.372 296 D HA 0.529 5.170 4.640 0.000 0.000 0.243 296 D C 0.943 177.307 176.300 0.107 0.000 1.121 296 D CA 0.564 54.630 54.000 0.109 0.000 0.898 296 D CB 0.567 41.406 40.800 0.064 0.000 1.202 296 D HN 0.438 nan 8.370 nan 0.000 0.428 297 G N 0.046 108.920 108.800 0.124 0.000 2.489 297 G HA2 0.352 4.312 3.960 0.000 0.000 0.305 297 G HA3 0.352 4.312 3.960 0.000 0.000 0.305 297 G C -0.931 174.045 174.900 0.127 0.000 1.311 297 G CA -0.707 44.470 45.100 0.129 0.000 0.813 297 G HN 0.454 nan 8.290 nan 0.000 0.480 298 D N -1.396 119.088 120.400 0.141 0.000 2.398 298 D HA 0.219 4.859 4.640 0.000 0.000 0.210 298 D C 0.465 176.859 176.300 0.157 0.000 1.094 298 D CA -0.570 53.493 54.000 0.104 0.000 0.839 298 D CB 0.166 41.005 40.800 0.065 0.000 0.963 298 D HN 0.197 nan 8.370 nan 0.000 0.506 299 F N 1.944 121.976 119.950 0.137 0.000 2.607 299 F HA 0.245 4.772 4.527 0.000 0.000 0.374 299 F C 0.212 176.176 175.800 0.273 0.000 1.104 299 F CA 0.154 58.266 58.000 0.186 0.000 1.296 299 F CB 0.834 39.939 39.000 0.175 0.000 1.085 299 F HN -0.076 nan 8.300 nan 0.000 0.584 300 S N 7.052 122.363 115.700 -0.649 0.000 2.756 300 S HA 0.391 4.861 4.470 0.000 0.000 0.303 300 S C 0.945 175.232 174.600 -0.521 0.000 1.135 300 S CA -0.849 57.150 58.200 -0.335 0.000 1.066 300 S CB 0.366 63.454 63.200 -0.186 0.000 1.008 300 S HN 0.686 nan 8.310 nan 0.000 0.482 301 I N 4.373 124.842 120.570 -0.169 0.000 2.335 301 I HA -0.203 3.967 4.170 0.000 0.000 0.251 301 I C 2.564 178.771 176.117 0.151 0.000 1.129 301 I CA 1.109 62.427 61.300 0.030 0.000 1.402 301 I CB -0.171 37.925 38.000 0.160 0.000 1.069 301 I HN 0.634 nan 8.210 nan 0.000 0.424 302 R N 0.194 120.738 120.500 0.072 0.000 2.075 302 R HA -0.080 4.260 4.340 0.000 0.000 0.232 302 R C 2.525 178.855 176.300 0.050 0.000 1.126 302 R CA 1.570 57.720 56.100 0.083 0.000 0.963 302 R CB -0.366 29.951 30.300 0.029 0.000 0.858 302 R HN 0.257 nan 8.270 nan 0.000 0.435 303 S N 0.346 116.034 115.700 -0.020 0.000 2.368 303 S HA -0.171 4.299 4.470 0.000 0.000 0.224 303 S C 1.370 175.975 174.600 0.008 0.000 1.029 303 S CA 1.054 59.234 58.200 -0.033 0.000 0.988 303 S CB -0.329 62.821 63.200 -0.084 0.000 0.838 303 S HN 0.479 nan 8.310 nan 0.000 0.462 304 W N 2.519 123.708 121.300 -0.186 0.000 2.321 304 W HA -0.132 4.528 4.660 0.001 0.000 0.306 304 W C 1.572 178.096 176.519 0.008 0.000 1.217 304 W CA 1.238 58.541 57.345 -0.069 0.000 1.257 304 W CB -0.497 28.944 29.460 -0.031 0.000 1.145 304 W HN 0.196 nan 8.180 nan 0.000 0.509 305 L N 0.414 121.709 121.223 0.120 0.000 2.131 305 L HA -0.188 4.152 4.340 0.000 0.000 0.210 305 L C 2.247 179.030 176.870 -0.146 0.000 1.092 305 L CA 1.688 56.491 54.840 -0.061 0.000 0.759 305 L CB -0.757 41.396 42.059 0.157 0.000 0.903 305 L HN 0.077 nan 8.230 nan 0.000 0.435 306 E N -0.848 119.301 120.200 -0.084 0.000 2.216 306 E HA -0.112 4.238 4.350 0.000 0.000 0.192 306 E C 0.441 176.974 176.600 -0.111 0.000 0.988 306 E CA 0.151 56.507 56.400 -0.074 0.000 0.834 306 E CB 0.045 29.724 29.700 -0.034 0.000 0.772 306 E HN 0.243 nan 8.360 nan 0.000 0.479 307 D N 0.834 121.138 120.400 -0.160 0.000 2.336 307 D HA 0.040 4.681 4.640 0.000 0.000 0.249 307 D C -1.878 174.295 176.300 -0.212 0.000 1.213 307 D CA -2.397 51.510 54.000 -0.155 0.000 0.870 307 D CB 1.338 42.061 40.800 -0.128 0.000 1.076 307 D HN -0.198 nan 8.370 nan 0.000 0.483 308 P HA -0.039 nan 4.420 nan 0.000 0.220 308 P C 0.285 177.517 177.300 -0.114 0.000 1.148 308 P CA 0.758 63.782 63.100 -0.127 0.000 0.803 308 P CB 0.282 31.937 31.700 -0.075 0.000 0.782 309 N N -1.001 117.648 118.700 -0.085 0.000 2.295 309 N HA 0.075 4.816 4.740 0.000 0.000 0.221 309 N C 1.534 177.022 175.510 -0.037 0.000 1.129 309 N CA 0.316 53.341 53.050 -0.042 0.000 0.836 309 N CB 0.033 38.514 38.487 -0.010 0.000 1.040 309 N HN 0.150 nan 8.380 nan 0.000 0.494 310 G N 0.443 109.159 108.800 -0.140 0.000 2.421 310 G HA2 0.171 4.132 3.960 0.000 0.000 0.217 310 G HA3 0.171 4.132 3.960 0.000 0.000 0.217 310 G C 0.995 175.956 174.900 0.102 0.000 1.143 310 G CA 0.745 45.767 45.100 -0.131 0.000 0.784 310 G HN 0.516 nan 8.290 nan 0.000 0.541 311 G N -0.060 108.766 108.800 0.042 0.000 2.503 311 G HA2 -0.183 3.777 3.960 0.000 0.000 0.235 311 G HA3 -0.183 3.777 3.960 0.000 0.000 0.235 311 G C -0.533 174.578 174.900 0.352 0.000 1.179 311 G CA -0.013 45.207 45.100 0.201 0.000 0.944 311 G HN 0.612 nan 8.290 nan 0.000 0.580 312 N N -0.049 118.939 118.700 0.480 0.000 2.380 312 N HA 0.681 5.422 4.740 0.000 0.000 0.290 312 N C -1.114 174.614 175.510 0.364 0.000 1.236 312 N CA -0.607 52.738 53.050 0.492 0.000 0.780 312 N CB 2.099 40.673 38.487 0.145 0.000 1.438 312 N HN 0.692 nan 8.380 nan 0.000 0.491 313 L N 1.478 122.684 121.223 -0.029 0.000 2.356 313 L HA 0.559 4.899 4.340 0.000 0.000 0.277 313 L C -1.644 175.012 176.870 -0.357 0.000 0.996 313 L CA -0.407 54.209 54.840 -0.374 0.000 0.822 313 L CB 0.436 41.879 42.059 -1.027 0.000 1.256 313 L HN 0.430 nan 8.230 nan 0.000 0.413 314 F N 5.634 125.482 119.950 -0.170 0.000 2.402 314 F HA 0.458 4.986 4.527 0.000 0.000 0.355 314 F C 0.441 176.166 175.800 -0.124 0.000 1.123 314 F CA -0.527 57.423 58.000 -0.083 0.000 1.021 314 F CB 1.476 40.447 39.000 -0.048 0.000 1.160 314 F HN 0.260 nan 8.300 nan 0.000 0.451 315 I N 3.894 124.531 120.570 0.111 0.000 2.282 315 I HA 0.228 4.398 4.170 0.000 0.000 0.290 315 I C 0.292 176.649 176.117 0.401 0.000 1.090 315 I CA -0.167 61.224 61.300 0.152 0.000 1.231 315 I CB 0.379 38.514 38.000 0.225 0.000 1.434 315 I HN 0.632 nan 8.210 nan 0.000 0.487 316 T N 1.916 116.677 114.554 0.346 0.000 2.949 316 T HA 0.805 5.155 4.350 0.000 0.000 0.287 316 T C -0.963 174.064 174.700 0.545 0.000 1.034 316 T CA -0.683 61.597 62.100 0.299 0.000 1.018 316 T CB 2.013 70.954 68.868 0.122 0.000 1.135 316 T HN 0.649 nan 8.240 nan 0.000 0.532 317 W N -0.957 120.430 121.300 0.145 0.000 3.338 317 W HA 0.608 5.268 4.660 0.000 0.000 0.299 317 W C -1.688 174.829 176.519 -0.003 0.000 1.226 317 W CA -1.263 56.154 57.345 0.120 0.000 1.183 317 W CB 0.647 30.182 29.460 0.125 0.000 1.360 317 W HN 0.791 nan 8.180 nan 0.000 0.569 318 R N 2.002 122.506 120.500 0.006 0.000 2.438 318 R HA 0.154 4.495 4.340 0.000 0.000 0.287 318 R C 1.067 177.377 176.300 0.016 0.000 1.077 318 R CA -0.180 55.804 56.100 -0.193 0.000 1.034 318 R CB 0.910 30.995 30.300 -0.358 0.000 0.993 318 R HN 0.701 nan 8.270 nan 0.000 0.459 319 E N 1.328 121.481 120.200 -0.079 0.000 2.265 319 E HA -0.204 4.147 4.350 0.000 0.000 0.196 319 E C 0.709 177.352 176.600 0.073 0.000 0.996 319 E CA 1.254 57.688 56.400 0.056 0.000 0.832 319 E CB 0.120 29.806 29.700 -0.023 0.000 0.756 319 E HN 0.611 nan 8.360 nan 0.000 0.491 320 D N -0.398 120.001 120.400 -0.002 0.000 2.349 320 D HA -0.113 4.527 4.640 0.000 0.000 0.224 320 D C 1.216 177.512 176.300 -0.007 0.000 1.029 320 D CA 0.509 54.500 54.000 -0.015 0.000 0.879 320 D CB -0.001 40.764 40.800 -0.059 0.000 0.906 320 D HN 0.184 nan 8.370 nan 0.000 0.528 321 M N -0.021 119.601 119.600 0.037 0.000 2.496 321 M HA 0.315 4.795 4.480 0.000 0.000 0.330 321 M C 1.583 177.920 176.300 0.061 0.000 1.133 321 M CA -0.234 55.080 55.300 0.022 0.000 0.964 321 M CB 1.506 34.094 32.600 -0.021 0.000 1.401 321 M HN 0.077 nan 8.290 nan 0.000 0.520 322 G N 2.635 111.503 108.800 0.113 0.000 2.511 322 G HA2 -0.171 3.790 3.960 0.000 0.000 0.216 322 G HA3 -0.171 3.790 3.960 0.000 0.000 0.216 322 G C -0.622 174.242 174.900 -0.061 0.000 1.218 322 G CA 0.728 45.861 45.100 0.055 0.000 0.788 322 G HN 0.305 nan 8.290 nan 0.000 0.560 323 P HA -0.134 nan 4.420 nan 0.000 0.216 323 P C 1.969 179.241 177.300 -0.047 0.000 1.153 323 P CA 2.250 65.331 63.100 -0.032 0.000 0.858 323 P CB -0.218 31.477 31.700 -0.008 0.000 0.789 324 A N -0.261 122.536 122.820 -0.039 0.000 1.930 324 A HA -0.052 4.268 4.320 0.000 0.000 0.217 324 A C 2.291 179.838 177.584 -0.062 0.000 1.175 324 A CA 1.116 53.136 52.037 -0.029 0.000 0.627 324 A CB -1.358 17.639 19.000 -0.005 0.000 0.815 324 A HN 0.178 nan 8.150 nan 0.000 0.443 325 L N -1.199 119.953 121.223 -0.118 0.000 2.592 325 L HA 0.148 4.488 4.340 0.000 0.000 0.227 325 L C 2.264 178.941 176.870 -0.321 0.000 1.127 325 L CA 0.065 54.780 54.840 -0.209 0.000 0.884 325 L CB -0.172 41.757 42.059 -0.217 0.000 1.065 325 L HN 0.416 nan 8.230 nan 0.000 0.457 326 R N 1.345 121.693 120.500 -0.253 0.000 2.083 326 R HA -0.142 4.198 4.340 0.000 0.000 0.237 326 R C -0.486 175.692 176.300 -0.204 0.000 1.137 326 R CA 1.761 57.717 56.100 -0.239 0.000 0.951 326 R CB -0.879 29.336 30.300 -0.142 0.000 0.851 326 R HN 0.213 nan 8.270 nan 0.000 0.434 327 P HA -0.176 nan 4.420 nan 0.000 0.217 327 P C 1.490 178.678 177.300 -0.186 0.000 1.151 327 P CA 1.138 64.176 63.100 -0.104 0.000 0.828 327 P CB -0.093 31.595 31.700 -0.021 0.000 0.788 328 L N -0.689 120.315 121.223 -0.364 0.000 2.056 328 L HA -0.089 4.251 4.340 0.000 0.000 0.207 328 L C 2.608 178.923 176.870 -0.925 0.000 1.078 328 L CA 1.373 55.743 54.840 -0.784 0.000 0.749 328 L CB -0.535 40.962 42.059 -0.938 0.000 0.901 328 L HN -0.149 nan 8.230 nan 0.000 0.433 329 I N -0.973 119.236 120.570 -0.601 0.000 2.315 329 I HA -0.269 3.901 4.170 0.000 0.000 0.248 329 I C 2.488 178.507 176.117 -0.162 0.000 1.117 329 I CA 0.978 62.080 61.300 -0.329 0.000 1.404 329 I CB -0.117 37.630 38.000 -0.422 0.000 1.071 329 I HN 0.162 nan 8.210 nan 0.000 0.419 330 S N 0.620 116.215 115.700 -0.174 0.000 2.402 330 S HA -0.110 4.361 4.470 0.000 0.000 0.229 330 S C 2.240 176.829 174.600 -0.018 0.000 1.021 330 S CA 1.154 59.318 58.200 -0.060 0.000 0.974 330 S CB -0.262 62.902 63.200 -0.060 0.000 0.800 330 S HN 0.532 nan 8.310 nan 0.000 0.484 331 A N 1.536 124.300 122.820 -0.093 0.000 1.858 331 A HA -0.115 4.205 4.320 0.000 0.000 0.216 331 A C 1.872 179.509 177.584 0.089 0.000 1.190 331 A CA 1.274 53.312 52.037 0.002 0.000 0.617 331 A CB -0.963 18.027 19.000 -0.017 0.000 0.827 331 A HN 0.608 nan 8.150 nan 0.000 0.443 332 W N 0.093 121.353 121.300 -0.067 0.000 2.335 332 W HA -0.137 4.523 4.660 0.001 0.000 0.311 332 W C 2.361 178.869 176.519 -0.018 0.000 1.213 332 W CA 1.274 58.540 57.345 -0.132 0.000 1.274 332 W CB -1.415 27.896 29.460 -0.248 0.000 1.148 332 W HN 0.194 nan 8.180 nan 0.000 0.498 333 V N 0.250 120.306 119.914 0.235 0.000 2.343 333 V HA -0.272 3.848 4.120 0.000 0.000 0.247 333 V C 2.135 178.329 176.094 0.166 0.000 1.051 333 V CA 2.365 64.772 62.300 0.177 0.000 1.036 333 V CB -0.819 31.091 31.823 0.146 0.000 0.654 333 V HN 0.148 nan 8.190 nan 0.000 0.451 334 D N -0.133 120.365 120.400 0.162 0.000 2.194 334 D HA -0.098 4.542 4.640 0.000 0.000 0.204 334 D C 2.090 178.516 176.300 0.210 0.000 0.964 334 D CA 0.996 55.089 54.000 0.154 0.000 0.846 334 D CB 0.379 41.253 40.800 0.123 0.000 0.962 334 D HN 0.316 nan 8.370 nan 0.000 0.490 335 V N 0.738 120.835 119.914 0.304 0.000 2.343 335 V HA -0.217 3.903 4.120 0.000 0.000 0.247 335 V C 2.788 179.094 176.094 0.355 0.000 1.051 335 V CA 0.998 63.572 62.300 0.455 0.000 1.036 335 V CB -0.385 31.744 31.823 0.510 0.000 0.654 335 V HN 0.097 nan 8.190 nan 0.000 0.451 336 V N -0.929 119.141 119.914 0.260 0.000 2.343 336 V HA -0.303 3.818 4.120 0.000 0.000 0.247 336 V C 2.540 178.739 176.094 0.174 0.000 1.051 336 V CA 2.292 64.721 62.300 0.215 0.000 1.036 336 V CB -0.770 31.160 31.823 0.178 0.000 0.654 336 V HN 0.656 nan 8.190 nan 0.000 0.451 337 C N 0.519 119.904 119.300 0.143 0.000 2.413 337 C HA -0.152 4.308 4.460 0.000 0.000 0.277 337 C C 2.975 178.012 174.990 0.079 0.000 1.265 337 C CA 1.758 60.830 59.018 0.090 0.000 1.752 337 C CB -1.353 26.429 27.740 0.071 0.000 1.998 337 C HN 0.793 nan 8.230 nan 0.000 0.489 338 T N -1.350 113.261 114.554 0.096 0.000 2.852 338 T HA -0.063 4.287 4.350 0.000 0.000 0.256 338 T C 1.840 176.605 174.700 0.109 0.000 1.038 338 T CA 1.445 63.577 62.100 0.053 0.000 1.141 338 T CB -0.575 68.254 68.868 -0.066 0.000 0.869 338 T HN 0.428 nan 8.240 nan 0.000 0.439 339 S N 2.508 118.329 115.700 0.203 0.000 2.380 339 S HA -0.108 4.362 4.470 0.000 0.000 0.229 339 S C 2.122 176.815 174.600 0.155 0.000 1.043 339 S CA 1.442 59.782 58.200 0.234 0.000 1.038 339 S CB -0.667 62.706 63.200 0.288 0.000 0.872 339 S HN 0.686 nan 8.310 nan 0.000 0.456 340 I N 0.070 120.716 120.570 0.127 0.000 2.700 340 I HA -0.029 4.141 4.170 0.000 0.000 0.261 340 I C 1.481 177.633 176.117 0.059 0.000 1.219 340 I CA 1.314 62.666 61.300 0.086 0.000 1.463 340 I CB -1.059 36.981 38.000 0.067 0.000 1.092 340 I HN 0.164 nan 8.210 nan 0.000 0.452 341 L N 0.957 122.218 121.223 0.064 0.000 2.478 341 L HA 0.065 4.405 4.340 0.000 0.000 0.223 341 L C 2.338 179.239 176.870 0.052 0.000 1.140 341 L CA 1.167 56.034 54.840 0.044 0.000 0.842 341 L CB -0.652 41.430 42.059 0.038 0.000 0.953 341 L HN 0.194 nan 8.230 nan 0.000 0.452 342 S N -1.305 114.443 115.700 0.080 0.000 2.517 342 S HA 0.251 4.722 4.470 0.000 0.000 0.214 342 S C 0.767 175.405 174.600 0.062 0.000 0.991 342 S CA -0.354 57.898 58.200 0.088 0.000 0.906 342 S CB 0.062 63.346 63.200 0.140 0.000 0.789 342 S HN 0.139 nan 8.310 nan 0.000 0.513 343 L N 4.175 125.429 121.223 0.051 0.000 2.455 343 L HA 0.183 4.524 4.340 0.000 0.000 0.272 343 L C -1.913 174.966 176.870 0.014 0.000 1.174 343 L CA -1.484 53.374 54.840 0.030 0.000 0.869 343 L CB -0.121 41.951 42.059 0.021 0.000 1.130 343 L HN 0.062 nan 8.230 nan 0.000 0.474 344 P HA -0.032 nan 4.420 nan 0.000 0.268 344 P C -0.409 176.886 177.300 -0.008 0.000 1.204 344 P CA -0.253 62.847 63.100 0.000 0.000 0.768 344 P CB 0.590 32.290 31.700 -0.001 0.000 0.842 345 E N 2.455 122.648 120.200 -0.010 0.000 2.558 345 E HA -0.066 4.284 4.350 0.000 0.000 0.255 345 E C -0.385 176.203 176.600 -0.020 0.000 0.968 345 E CA 0.484 56.874 56.400 -0.016 0.000 0.939 345 E CB 0.198 29.888 29.700 -0.017 0.000 0.921 345 E HN 0.288 nan 8.360 nan 0.000 0.477 346 E N 5.116 125.301 120.200 -0.025 0.000 2.502 346 E HA 0.156 4.506 4.350 0.000 0.000 0.261 346 E C -2.128 174.453 176.600 -0.032 0.000 0.974 346 E CA -1.798 54.586 56.400 -0.027 0.000 0.795 346 E CB 1.534 31.216 29.700 -0.030 0.000 1.385 346 E HN 0.437 nan 8.360 nan 0.000 0.400 347 P HA -0.154 nan 4.420 nan 0.000 0.218 347 P C 1.118 178.398 177.300 -0.033 0.000 1.146 347 P CA 1.029 64.109 63.100 -0.033 0.000 0.813 347 P CB 0.497 32.181 31.700 -0.027 0.000 0.778 348 K N -0.930 119.453 120.400 -0.029 0.000 2.296 348 K HA -0.012 4.308 4.320 0.000 0.000 0.200 348 K C 1.136 177.719 176.600 -0.027 0.000 1.048 348 K CA 0.255 56.527 56.287 -0.025 0.000 0.966 348 K CB -0.256 32.231 32.500 -0.021 0.000 0.754 348 K HN 0.206 nan 8.250 nan 0.000 0.466 349 R N 1.688 122.166 120.500 -0.036 0.000 2.537 349 R HA 0.056 4.396 4.340 0.000 0.000 0.280 349 R C -0.576 175.694 176.300 -0.051 0.000 1.058 349 R CA 0.299 56.374 56.100 -0.041 0.000 1.057 349 R CB 0.415 30.686 30.300 -0.048 0.000 0.973 349 R HN -0.047 nan 8.270 nan 0.000 0.438 350 R N 4.614 125.092 120.500 -0.037 0.000 2.507 350 R HA 0.320 4.661 4.340 0.000 0.000 0.298 350 R C -1.362 174.922 176.300 -0.027 0.000 1.087 350 R CA -0.752 55.312 56.100 -0.060 0.000 0.917 350 R CB 1.433 31.747 30.300 0.023 0.000 1.173 350 R HN 0.308 nan 8.270 nan 0.000 0.472 351 L N 3.837 124.989 121.223 -0.118 0.000 2.333 351 L HA 0.533 4.873 4.340 0.000 0.000 0.280 351 L C -1.361 175.419 176.870 -0.150 0.000 1.004 351 L CA -0.591 54.240 54.840 -0.014 0.000 0.820 351 L CB 1.238 43.309 42.059 0.020 0.000 1.247 351 L HN 0.620 nan 8.230 nan 0.000 0.416 352 W N 5.534 126.857 121.300 0.039 0.000 2.469 352 W HA 0.533 5.193 4.660 0.000 0.000 0.320 352 W C -0.295 176.176 176.519 -0.080 0.000 1.086 352 W CA -0.398 56.896 57.345 -0.084 0.000 1.211 352 W CB 1.382 30.810 29.460 -0.053 0.000 1.298 352 W HN 0.240 nan 8.180 nan 0.000 0.525 353 L N 4.205 125.419 121.223 -0.015 0.000 2.316 353 L HA 0.461 4.801 4.340 0.000 0.000 0.280 353 L C -1.500 175.331 176.870 -0.065 0.000 1.006 353 L CA -0.822 54.045 54.840 0.045 0.000 0.836 353 L CB 0.454 42.541 42.059 0.046 0.000 1.221 353 L HN 0.311 nan 8.230 nan 0.000 0.418 354 F N 5.645 125.728 119.950 0.223 0.000 2.313 354 F HA 0.397 4.925 4.527 0.000 0.000 0.369 354 F C 0.392 176.301 175.800 0.182 0.000 1.109 354 F CA -0.304 57.819 58.000 0.204 0.000 1.132 354 F CB 0.950 40.040 39.000 0.150 0.000 1.291 354 F HN 0.250 nan 8.300 nan 0.000 0.496 355 I N 3.602 124.352 120.570 0.301 0.000 2.291 355 I HA 0.097 4.267 4.170 0.000 0.000 0.290 355 I C 0.948 177.217 176.117 0.252 0.000 1.050 355 I CA -0.309 61.145 61.300 0.257 0.000 1.245 355 I CB 1.001 39.125 38.000 0.205 0.000 1.405 355 I HN 0.527 nan 8.210 nan 0.000 0.478 356 D N 5.044 125.604 120.400 0.268 0.000 2.240 356 D HA -0.199 4.441 4.640 0.000 0.000 0.204 356 D C 0.461 176.867 176.300 0.178 0.000 1.018 356 D CA 1.869 56.004 54.000 0.224 0.000 0.887 356 D CB 0.413 41.361 40.800 0.248 0.000 1.087 356 D HN 0.335 nan 8.370 nan 0.000 0.464 357 E N 0.059 120.369 120.200 0.183 0.000 2.102 357 E HA 0.121 4.472 4.350 0.000 0.000 0.263 357 E C 0.713 177.388 176.600 0.125 0.000 0.894 357 E CA -0.429 56.049 56.400 0.131 0.000 0.746 357 E CB 1.569 31.345 29.700 0.127 0.000 1.129 357 E HN 0.226 nan 8.360 nan 0.000 0.416 358 L N 3.858 125.134 121.223 0.088 0.000 2.013 358 L HA -0.183 4.157 4.340 0.000 0.000 0.212 358 L C 1.769 178.717 176.870 0.129 0.000 1.073 358 L CA 2.475 57.370 54.840 0.091 0.000 0.753 358 L CB -0.476 41.584 42.059 0.002 0.000 0.890 358 L HN 0.587 nan 8.230 nan 0.000 0.432 359 A N -2.355 120.527 122.820 0.103 0.000 2.239 359 A HA -0.010 4.310 4.320 0.000 0.000 0.209 359 A C 2.231 179.878 177.584 0.105 0.000 1.171 359 A CA 1.209 53.322 52.037 0.128 0.000 0.768 359 A CB -0.505 18.548 19.000 0.088 0.000 0.790 359 A HN 0.494 nan 8.150 nan 0.000 0.478 360 S N -0.531 115.228 115.700 0.099 0.000 2.501 360 S HA 0.261 4.731 4.470 0.000 0.000 0.220 360 S C 0.688 175.313 174.600 0.042 0.000 0.997 360 S CA -0.066 58.181 58.200 0.078 0.000 0.919 360 S CB -0.174 63.094 63.200 0.114 0.000 0.778 360 S HN 0.492 nan 8.310 nan 0.000 0.523 361 L N 1.317 122.578 121.223 0.063 0.000 2.454 361 L HA 0.403 4.744 4.340 0.000 0.000 0.256 361 L C 0.731 177.611 176.870 0.017 0.000 1.136 361 L CA -0.643 54.213 54.840 0.026 0.000 0.804 361 L CB 0.481 42.582 42.059 0.069 0.000 1.181 361 L HN 0.090 nan 8.230 nan 0.000 0.469 362 E N 0.443 120.625 120.200 -0.030 0.000 2.397 362 E HA -0.004 4.346 4.350 0.000 0.000 0.254 362 E C -0.308 176.198 176.600 -0.156 0.000 1.231 362 E CA -0.284 56.068 56.400 -0.080 0.000 0.954 362 E CB 0.566 30.222 29.700 -0.074 0.000 1.024 362 E HN 0.285 nan 8.360 nan 0.000 0.481 363 K N 2.311 122.523 120.400 -0.314 0.000 2.237 363 K HA 0.069 4.390 4.320 0.000 0.000 0.283 363 K C -0.685 175.732 176.600 -0.305 0.000 1.080 363 K CA -0.090 55.795 56.287 -0.670 0.000 0.965 363 K CB -0.324 31.814 32.500 -0.602 0.000 1.098 363 K HN 0.379 nan 8.250 nan 0.000 0.434 364 L N 3.897 125.070 121.223 -0.083 0.000 2.453 364 L HA 0.039 4.379 4.340 0.000 0.000 0.272 364 L C 1.412 178.336 176.870 0.089 0.000 1.182 364 L CA -0.313 54.574 54.840 0.078 0.000 0.858 364 L CB 1.066 43.234 42.059 0.182 0.000 1.120 364 L HN 0.779 nan 8.230 nan 0.000 0.474 365 A N 2.117 124.966 122.820 0.047 0.000 1.935 365 A HA -0.043 4.277 4.320 0.000 0.000 0.214 365 A C 1.954 179.566 177.584 0.047 0.000 1.178 365 A CA 1.124 53.183 52.037 0.037 0.000 0.640 365 A CB -0.056 18.951 19.000 0.013 0.000 0.825 365 A HN 0.747 nan 8.150 nan 0.000 0.447 366 S N -0.516 115.214 115.700 0.050 0.000 2.524 366 S HA 0.227 4.697 4.470 0.000 0.000 0.215 366 S C 1.520 176.142 174.600 0.036 0.000 0.986 366 S CA -0.224 57.998 58.200 0.036 0.000 0.911 366 S CB 0.015 63.232 63.200 0.027 0.000 0.805 366 S HN 0.471 nan 8.310 nan 0.000 0.501 367 L N 1.990 123.251 121.223 0.065 0.000 1.989 367 L HA -0.221 4.119 4.340 0.000 0.000 0.211 367 L C 2.682 179.540 176.870 -0.019 0.000 1.071 367 L CA 1.899 56.762 54.840 0.040 0.000 0.749 367 L CB -0.861 41.261 42.059 0.105 0.000 0.890 367 L HN 0.404 nan 8.230 nan 0.000 0.431 368 A N -0.159 122.670 122.820 0.015 0.000 1.884 368 A HA -0.314 4.007 4.320 0.000 0.000 0.219 368 A C 1.870 179.427 177.584 -0.045 0.000 1.197 368 A CA 2.378 54.405 52.037 -0.017 0.000 0.637 368 A CB -0.827 18.187 19.000 0.023 0.000 0.827 368 A HN 0.558 nan 8.150 nan 0.000 0.450 369 D N -0.401 119.985 120.400 -0.024 0.000 2.144 369 D HA 0.018 4.659 4.640 0.000 0.000 0.200 369 D C 2.224 178.496 176.300 -0.046 0.000 0.978 369 D CA 1.328 55.311 54.000 -0.028 0.000 0.833 369 D CB -0.424 40.369 40.800 -0.011 0.000 0.961 369 D HN 0.455 nan 8.370 nan 0.000 0.470 370 A N 0.802 123.588 122.820 -0.056 0.000 1.972 370 A HA -0.108 4.212 4.320 0.000 0.000 0.219 370 A C 2.285 179.776 177.584 -0.155 0.000 1.169 370 A CA 0.834 52.826 52.037 -0.075 0.000 0.635 370 A CB -0.654 18.309 19.000 -0.062 0.000 0.810 370 A HN 0.221 nan 8.150 nan 0.000 0.446 371 L N -1.378 119.691 121.223 -0.256 0.000 2.478 371 L HA -0.014 4.326 4.340 0.000 0.000 0.223 371 L C 2.071 178.854 176.870 -0.145 0.000 1.140 371 L CA 1.178 55.737 54.840 -0.468 0.000 0.842 371 L CB -0.194 41.500 42.059 -0.609 0.000 0.953 371 L HN 0.281 nan 8.230 nan 0.000 0.452 372 T N -1.362 113.143 114.554 -0.081 0.000 2.969 372 T HA 0.098 4.448 4.350 0.000 0.000 0.250 372 T C 1.308 175.998 174.700 -0.016 0.000 1.021 372 T CA 0.378 62.459 62.100 -0.032 0.000 1.003 372 T CB 0.407 69.254 68.868 -0.035 0.000 1.040 372 T HN 0.211 nan 8.240 nan 0.000 0.492 373 K N 0.442 120.831 120.400 -0.018 0.000 2.501 373 K HA 0.302 4.622 4.320 0.000 0.000 0.204 373 K C 1.437 178.030 176.600 -0.012 0.000 1.067 373 K CA -0.114 56.164 56.287 -0.015 0.000 1.060 373 K CB 1.110 33.601 32.500 -0.015 0.000 0.873 373 K HN 0.124 nan 8.250 nan 0.000 0.540 374 G N 1.255 110.052 108.800 -0.005 0.000 3.042 374 G HA2 -0.097 3.863 3.960 0.000 0.000 0.212 374 G HA3 -0.097 3.863 3.960 0.000 0.000 0.212 374 G C 1.161 176.043 174.900 -0.030 0.000 1.166 374 G CA -0.145 44.950 45.100 -0.008 0.000 0.767 374 G HN 0.096 nan 8.290 nan 0.000 0.546 375 R N 1.078 121.553 120.500 -0.041 0.000 2.080 375 R HA -0.007 4.333 4.340 0.000 0.000 0.236 375 R C 2.178 178.438 176.300 -0.068 0.000 1.137 375 R CA 1.096 57.151 56.100 -0.075 0.000 0.943 375 R CB -0.352 29.906 30.300 -0.070 0.000 0.846 375 R HN 0.006 nan 8.270 nan 0.000 0.431 376 K N 0.627 120.999 120.400 -0.047 0.000 2.209 376 K HA 0.039 4.359 4.320 0.000 0.000 0.204 376 K C 1.879 178.455 176.600 -0.040 0.000 1.048 376 K CA 1.479 57.741 56.287 -0.041 0.000 0.940 376 K CB -0.330 32.153 32.500 -0.029 0.000 0.729 376 K HN 0.309 nan 8.250 nan 0.000 0.451 377 A N -0.020 122.778 122.820 -0.037 0.000 2.208 377 A HA 0.199 4.519 4.320 0.000 0.000 0.209 377 A C 1.244 178.795 177.584 -0.055 0.000 1.161 377 A CA 1.007 53.024 52.037 -0.032 0.000 0.782 377 A CB -0.277 18.715 19.000 -0.014 0.000 0.816 377 A HN 0.343 nan 8.150 nan 0.000 0.477 378 G N -0.922 107.830 108.800 -0.081 0.000 2.198 378 G HA2 -0.187 3.774 3.960 0.000 0.000 0.257 378 G HA3 -0.187 3.774 3.960 0.000 0.000 0.257 378 G C 0.035 174.831 174.900 -0.174 0.000 1.042 378 G CA 0.267 45.291 45.100 -0.125 0.000 0.791 378 G HN 0.658 nan 8.290 nan 0.000 0.502 379 L N -0.165 120.976 121.223 -0.136 0.000 2.349 379 L HA 0.728 5.068 4.340 0.000 0.000 0.275 379 L C 0.285 177.029 176.870 -0.211 0.000 1.115 379 L CA -0.070 54.691 54.840 -0.132 0.000 0.820 379 L CB 0.681 42.721 42.059 -0.031 0.000 1.135 379 L HN 0.361 nan 8.230 nan 0.000 0.445 380 R N 4.028 124.315 120.500 -0.355 0.000 2.502 380 R HA 0.534 4.874 4.340 0.000 0.000 0.298 380 R C -1.265 174.888 176.300 -0.244 0.000 1.018 380 R CA -0.616 55.171 56.100 -0.522 0.000 0.899 380 R CB 2.227 31.667 30.300 -1.434 0.000 1.181 380 R HN 0.404 nan 8.270 nan 0.000 0.444 381 V N 3.274 123.288 119.914 0.167 0.000 2.483 381 V HA 0.528 4.648 4.120 0.000 0.000 0.295 381 V C -0.226 175.992 176.094 0.207 0.000 1.035 381 V CA -0.868 61.468 62.300 0.060 0.000 0.896 381 V CB 2.000 33.752 31.823 -0.117 0.000 0.986 381 V HN 0.423 nan 8.190 nan 0.000 0.447 382 V N 3.295 123.284 119.914 0.126 0.000 2.443 382 V HA 0.870 4.990 4.120 0.000 0.000 0.293 382 V C 0.125 176.377 176.094 0.263 0.000 1.021 382 V CA -0.400 62.048 62.300 0.246 0.000 0.848 382 V CB 1.384 33.334 31.823 0.212 0.000 0.998 382 V HN 1.065 nan 8.190 nan 0.000 0.424 383 A N 3.331 126.286 122.820 0.224 0.000 2.401 383 A HA 0.955 5.275 4.320 0.000 0.000 0.310 383 A C 0.094 177.680 177.584 0.003 0.000 1.075 383 A CA -0.257 51.839 52.037 0.099 0.000 0.746 383 A CB 1.858 20.863 19.000 0.009 0.000 1.277 383 A HN 1.067 nan 8.150 nan 0.000 0.425 384 G N 0.048 108.872 108.800 0.041 0.000 2.371 384 G HA2 0.585 4.545 3.960 0.000 0.000 0.326 384 G HA3 0.585 4.545 3.960 0.000 0.000 0.326 384 G C -1.265 173.623 174.900 -0.020 0.000 1.127 384 G CA -0.227 44.885 45.100 0.021 0.000 0.885 384 G HN 0.529 nan 8.290 nan 0.000 0.477 385 L N 0.086 121.287 121.223 -0.037 0.000 2.393 385 L HA 0.492 4.832 4.340 0.000 0.000 0.260 385 L C 0.667 177.527 176.870 -0.017 0.000 1.002 385 L CA -0.498 54.316 54.840 -0.043 0.000 0.818 385 L CB 2.294 44.295 42.059 -0.096 0.000 1.369 385 L HN 0.766 nan 8.230 nan 0.000 0.412 386 Q N -0.317 119.479 119.800 -0.006 0.000 2.341 386 Q HA 0.385 4.726 4.340 0.000 0.000 0.173 386 Q C -0.452 175.546 176.000 -0.003 0.000 0.659 386 Q CA -0.336 55.468 55.803 0.002 0.000 0.776 386 Q CB 0.438 29.184 28.738 0.014 0.000 1.108 386 Q HN 0.584 nan 8.270 nan 0.000 0.538 387 S N 0.886 116.588 115.700 0.002 0.000 2.508 387 S HA 0.176 4.646 4.470 0.000 0.000 0.284 387 S C 0.632 175.231 174.600 -0.003 0.000 1.192 387 S CA -0.365 57.835 58.200 0.000 0.000 1.070 387 S CB 1.588 64.792 63.200 0.006 0.000 1.004 387 S HN 0.247 nan 8.310 nan 0.000 0.493 388 T N 2.778 117.327 114.554 -0.008 0.000 2.737 388 T HA -0.171 4.179 4.350 0.000 0.000 0.269 388 T C 2.194 176.895 174.700 0.002 0.000 1.040 388 T CA 2.003 64.097 62.100 -0.010 0.000 1.142 388 T CB -0.441 68.421 68.868 -0.011 0.000 0.861 388 T HN 0.810 nan 8.240 nan 0.000 0.456 389 S N 1.173 116.877 115.700 0.007 0.000 2.465 389 S HA -0.166 4.304 4.470 0.000 0.000 0.241 389 S C 1.956 176.570 174.600 0.024 0.000 1.000 389 S CA 0.868 59.076 58.200 0.014 0.000 0.964 389 S CB -0.421 62.786 63.200 0.011 0.000 0.763 389 S HN 0.528 nan 8.310 nan 0.000 0.512 390 Q N 0.173 119.988 119.800 0.025 0.000 1.994 390 Q HA 0.041 4.381 4.340 0.000 0.000 0.198 390 Q C 2.201 178.239 176.000 0.064 0.000 0.976 390 Q CA 1.384 57.210 55.803 0.038 0.000 0.828 390 Q CB -0.277 28.481 28.738 0.034 0.000 0.894 390 Q HN 0.506 nan 8.270 nan 0.000 0.432 391 L N 1.239 122.497 121.223 0.059 0.000 2.083 391 L HA -0.183 4.157 4.340 0.000 0.000 0.209 391 L C 1.429 178.381 176.870 0.137 0.000 1.083 391 L CA 1.818 56.718 54.840 0.101 0.000 0.752 391 L CB -0.398 41.655 42.059 -0.009 0.000 0.899 391 L HN 0.163 nan 8.230 nan 0.000 0.433 392 D N -0.646 119.797 120.400 0.072 0.000 2.149 392 D HA -0.221 4.419 4.640 0.000 0.000 0.198 392 D C 1.828 178.171 176.300 0.072 0.000 0.990 392 D CA 1.476 55.515 54.000 0.066 0.000 0.839 392 D CB -0.079 40.741 40.800 0.034 0.000 0.948 392 D HN 0.452 nan 8.370 nan 0.000 0.460 393 D N -0.794 119.642 120.400 0.061 0.000 2.149 393 D HA -0.077 4.563 4.640 0.000 0.000 0.201 393 D C 1.934 178.258 176.300 0.040 0.000 0.972 393 D CA 0.489 54.513 54.000 0.041 0.000 0.835 393 D CB 0.284 41.102 40.800 0.030 0.000 0.966 393 D HN -0.026 nan 8.370 nan 0.000 0.476 394 V N -0.310 119.651 119.914 0.080 0.000 2.283 394 V HA -0.181 3.939 4.120 0.000 0.000 0.243 394 V C 1.636 177.695 176.094 -0.059 0.000 1.039 394 V CA 1.397 63.711 62.300 0.024 0.000 1.016 394 V CB -0.613 31.266 31.823 0.093 0.000 0.650 394 V HN 0.250 nan 8.190 nan 0.000 0.449 395 Y N 0.455 120.755 120.300 -0.001 0.000 2.510 395 Y HA 0.500 5.050 4.550 0.000 0.000 0.273 395 Y C 1.328 177.223 175.900 -0.007 0.000 1.119 395 Y CA 0.401 58.500 58.100 -0.001 0.000 1.286 395 Y CB -0.102 38.363 38.460 0.008 0.000 1.061 395 Y HN 0.377 nan 8.280 nan 0.000 0.542 396 G N -0.588 108.289 108.800 0.127 0.000 2.675 396 G HA2 -0.175 3.785 3.960 0.000 0.000 0.686 396 G HA3 -0.175 3.785 3.960 0.000 0.000 0.686 396 G C 0.419 175.362 174.900 0.072 0.000 1.215 396 G CA -0.481 44.659 45.100 0.067 0.000 0.777 396 G HN -0.051 nan 8.290 nan 0.000 0.638 397 V N 1.769 121.708 119.914 0.042 0.000 2.282 397 V HA -0.212 3.908 4.120 0.000 0.000 0.249 397 V C 3.010 179.123 176.094 0.031 0.000 1.057 397 V CA 2.794 65.113 62.300 0.032 0.000 1.032 397 V CB -0.428 31.405 31.823 0.018 0.000 0.645 397 V HN 0.748 nan 8.190 nan 0.000 0.447 398 K N -0.019 120.400 120.400 0.031 0.000 2.001 398 K HA -0.144 4.177 4.320 0.000 0.000 0.208 398 K C 2.018 178.641 176.600 0.039 0.000 1.048 398 K CA 1.618 57.922 56.287 0.028 0.000 0.932 398 K CB -0.515 31.999 32.500 0.022 0.000 0.715 398 K HN 0.593 nan 8.250 nan 0.000 0.437 399 E N 0.498 120.737 120.200 0.065 0.000 2.268 399 E HA -0.073 4.277 4.350 0.000 0.000 0.195 399 E C 1.866 178.503 176.600 0.062 0.000 0.995 399 E CA 0.731 57.186 56.400 0.092 0.000 0.836 399 E CB -0.014 29.785 29.700 0.164 0.000 0.763 399 E HN 0.276 nan 8.360 nan 0.000 0.491 400 A N 1.227 124.081 122.820 0.058 0.000 1.929 400 A HA -0.215 4.105 4.320 0.000 0.000 0.216 400 A C 2.124 179.682 177.584 -0.042 0.000 1.176 400 A CA 1.163 53.183 52.037 -0.029 0.000 0.628 400 A CB -0.327 18.686 19.000 0.021 0.000 0.816 400 A HN 0.180 nan 8.150 nan 0.000 0.444 401 Q N -0.583 119.214 119.800 -0.005 0.000 2.084 401 Q HA -0.151 4.189 4.340 0.000 0.000 0.202 401 Q C 1.906 177.909 176.000 0.005 0.000 0.978 401 Q CA 2.006 57.808 55.803 -0.001 0.000 0.844 401 Q CB -0.209 28.533 28.738 0.007 0.000 0.898 401 Q HN 0.597 nan 8.270 nan 0.000 0.426 402 T N 1.357 115.915 114.554 0.007 0.000 2.821 402 T HA -0.126 4.224 4.350 0.000 0.000 0.267 402 T C 1.686 176.394 174.700 0.014 0.000 1.046 402 T CA 0.938 63.047 62.100 0.014 0.000 1.139 402 T CB -0.175 68.704 68.868 0.017 0.000 0.871 402 T HN 0.172 nan 8.240 nan 0.000 0.454 403 L N 1.218 122.429 121.223 -0.020 0.000 2.027 403 L HA 0.068 4.408 4.340 0.000 0.000 0.206 403 L C 2.477 179.415 176.870 0.114 0.000 1.074 403 L CA 1.670 56.498 54.840 -0.021 0.000 0.745 403 L CB -0.436 41.480 42.059 -0.238 0.000 0.898 403 L HN 0.045 nan 8.230 nan 0.000 0.433 404 R N -0.841 119.679 120.500 0.034 0.000 2.115 404 R HA -0.045 4.295 4.340 0.000 0.000 0.230 404 R C 2.047 178.446 176.300 0.164 0.000 1.111 404 R CA 1.053 57.186 56.100 0.055 0.000 0.976 404 R CB -0.495 29.782 30.300 -0.038 0.000 0.870 404 R HN 0.469 nan 8.270 nan 0.000 0.445 405 A N 0.226 123.110 122.820 0.107 0.000 2.216 405 A HA -0.043 4.277 4.320 0.000 0.000 0.214 405 A C 1.773 179.427 177.584 0.116 0.000 1.160 405 A CA 1.040 53.134 52.037 0.096 0.000 0.725 405 A CB -0.040 18.991 19.000 0.052 0.000 0.784 405 A HN 0.146 nan 8.150 nan 0.000 0.472 406 S N -0.883 114.907 115.700 0.150 0.000 2.558 406 S HA 0.244 4.714 4.470 0.000 0.000 0.217 406 S C -0.333 174.258 174.600 -0.015 0.000 0.975 406 S CA -0.020 58.198 58.200 0.031 0.000 0.912 406 S CB -0.212 62.929 63.200 -0.098 0.000 0.776 406 S HN 0.446 nan 8.310 nan 0.000 0.526 407 F N 1.835 121.817 119.950 0.054 0.000 2.388 407 F HA 0.464 4.991 4.527 0.001 0.000 0.358 407 F C 1.287 177.135 175.800 0.080 0.000 1.122 407 F CA -1.088 56.974 58.000 0.102 0.000 1.056 407 F CB 0.892 39.935 39.000 0.073 0.000 1.155 407 F HN -0.200 nan 8.300 nan 0.000 0.461 408 R N 0.572 121.196 120.500 0.207 0.000 2.153 408 R HA 0.106 4.447 4.340 0.000 0.000 0.218 408 R C 0.129 176.523 176.300 0.157 0.000 1.072 408 R CA 0.351 56.538 56.100 0.145 0.000 0.990 408 R CB 0.002 30.355 30.300 0.088 0.000 0.889 408 R HN 0.399 nan 8.270 nan 0.000 0.452 409 S N 1.010 116.826 115.700 0.194 0.000 2.475 409 S HA 0.469 4.939 4.470 0.000 0.000 0.298 409 S C -0.734 173.930 174.600 0.107 0.000 1.119 409 S CA -0.662 57.636 58.200 0.163 0.000 1.085 409 S CB 1.821 65.176 63.200 0.258 0.000 1.028 409 S HN 0.042 nan 8.310 nan 0.000 0.489 410 L N 3.572 124.806 121.223 0.019 0.000 2.370 410 L HA 0.796 5.136 4.340 0.000 0.000 0.266 410 L C -1.516 175.322 176.870 -0.053 0.000 1.002 410 L CA -0.515 54.325 54.840 -0.001 0.000 0.818 410 L CB 1.927 43.991 42.059 0.008 0.000 1.325 410 L HN 0.440 nan 8.230 nan 0.000 0.418 411 V N 4.741 124.639 119.914 -0.027 0.000 2.443 411 V HA 0.483 4.603 4.120 0.000 0.000 0.293 411 V C -0.728 175.377 176.094 0.018 0.000 1.021 411 V CA -0.699 61.590 62.300 -0.018 0.000 0.848 411 V CB 1.799 33.614 31.823 -0.014 0.000 0.998 411 V HN 0.509 nan 8.190 nan 0.000 0.424 412 V N 6.531 126.479 119.914 0.057 0.000 2.333 412 V HA 0.302 4.423 4.120 0.000 0.000 0.274 412 V C 0.453 176.611 176.094 0.107 0.000 1.028 412 V CA -0.212 62.126 62.300 0.064 0.000 0.851 412 V CB 1.320 33.167 31.823 0.041 0.000 1.000 412 V HN 0.690 nan 8.190 nan 0.000 0.456 413 L N 4.041 125.304 121.223 0.068 0.000 2.611 413 L HA 0.515 4.856 4.340 0.000 0.000 0.229 413 L C 1.212 178.121 176.870 0.066 0.000 1.137 413 L CA 0.779 55.659 54.840 0.066 0.000 0.901 413 L CB -0.642 41.444 42.059 0.044 0.000 1.098 413 L HN 1.010 nan 8.230 nan 0.000 0.456 414 G N -1.121 107.720 108.800 0.068 0.000 2.999 414 G HA2 0.131 4.091 3.960 0.000 0.000 0.686 414 G HA3 0.131 4.091 3.960 0.000 0.000 0.686 414 G C 0.118 175.037 174.900 0.031 0.000 1.057 414 G CA -0.442 44.691 45.100 0.055 0.000 0.784 414 G HN 0.537 nan 8.290 nan 0.000 0.575 415 G N -0.121 108.692 108.800 0.021 0.000 3.008 415 G HA2 0.867 4.827 3.960 0.000 0.000 0.181 415 G HA3 0.867 4.827 3.960 0.000 0.000 0.181 415 G C 0.262 175.168 174.900 0.011 0.000 1.309 415 G CA 0.625 45.733 45.100 0.013 0.000 1.009 415 G HN 1.624 nan 8.290 nan 0.000 0.584 416 S N -1.397 114.308 115.700 0.008 0.000 2.616 416 S HA 0.284 4.754 4.470 0.000 0.000 0.277 416 S C 1.650 176.253 174.600 0.004 0.000 1.234 416 S CA -0.516 57.688 58.200 0.007 0.000 1.028 416 S CB 0.991 64.195 63.200 0.006 0.000 0.988 416 S HN 0.549 nan 8.310 nan 0.000 0.522 417 R N 0.882 121.385 120.500 0.004 0.000 2.189 417 R HA -0.007 4.333 4.340 0.000 0.000 0.218 417 R C 1.520 177.821 176.300 0.001 0.000 1.074 417 R CA 1.376 57.477 56.100 0.002 0.000 0.991 417 R CB -1.166 29.135 30.300 0.002 0.000 0.883 417 R HN 0.690 nan 8.270 nan 0.000 0.457 418 T N -1.795 112.761 114.554 0.002 0.000 3.194 418 T HA -0.010 4.340 4.350 0.000 0.000 0.251 418 T C 0.249 174.950 174.700 0.002 0.000 1.132 418 T CA 0.195 62.296 62.100 0.002 0.000 1.028 418 T CB 0.090 68.960 68.868 0.003 0.000 0.976 418 T HN 0.003 nan 8.240 nan 0.000 0.535 419 D N 1.653 122.053 120.400 0.001 0.000 2.739 419 D HA 0.266 4.906 4.640 0.000 0.000 0.335 419 D C -1.602 174.696 176.300 -0.003 0.000 1.216 419 D CA -2.238 51.762 54.000 -0.000 0.000 0.808 419 D CB 1.322 42.122 40.800 0.001 0.000 1.121 419 D HN 0.076 nan 8.370 nan 0.000 0.499 420 P HA -0.181 nan 4.420 nan 0.000 0.218 420 P C 1.164 178.459 177.300 -0.008 0.000 1.148 420 P CA 0.856 63.952 63.100 -0.006 0.000 0.822 420 P CB 0.638 32.336 31.700 -0.005 0.000 0.784 421 K N -0.559 119.837 120.400 -0.006 0.000 2.057 421 K HA -0.039 4.281 4.320 0.000 0.000 0.206 421 K C 2.186 178.780 176.600 -0.010 0.000 1.050 421 K CA 1.646 57.928 56.287 -0.008 0.000 0.935 421 K CB -0.715 31.782 32.500 -0.005 0.000 0.715 421 K HN 0.126 nan 8.250 nan 0.000 0.439 422 T N 1.464 116.012 114.554 -0.010 0.000 2.951 422 T HA -0.018 4.332 4.350 0.000 0.000 0.268 422 T C 1.444 176.133 174.700 -0.018 0.000 1.073 422 T CA 0.800 62.892 62.100 -0.013 0.000 1.134 422 T CB -0.106 68.756 68.868 -0.010 0.000 0.884 422 T HN 0.174 nan 8.240 nan 0.000 0.479 423 N N 1.284 119.974 118.700 -0.018 0.000 2.270 423 N HA -0.065 4.675 4.740 0.000 0.000 0.181 423 N C 1.915 177.405 175.510 -0.033 0.000 1.016 423 N CA 0.847 53.882 53.050 -0.025 0.000 0.870 423 N CB -0.216 38.260 38.487 -0.019 0.000 0.979 423 N HN 0.426 nan 8.380 nan 0.000 0.431 424 E N 1.363 121.548 120.200 -0.026 0.000 2.107 424 E HA -0.108 4.242 4.350 0.000 0.000 0.191 424 E C 0.968 177.551 176.600 -0.029 0.000 0.982 424 E CA 1.189 57.573 56.400 -0.027 0.000 0.809 424 E CB -0.109 29.580 29.700 -0.019 0.000 0.756 424 E HN 0.129 nan 8.360 nan 0.000 0.459 425 D N -0.406 119.978 120.400 -0.025 0.000 2.097 425 D HA -0.141 4.499 4.640 0.000 0.000 0.195 425 D C 1.731 178.011 176.300 -0.033 0.000 0.989 425 D CA 1.155 55.140 54.000 -0.025 0.000 0.827 425 D CB -0.133 40.655 40.800 -0.021 0.000 0.966 425 D HN 0.248 nan 8.370 nan 0.000 0.456 426 M N 0.326 119.902 119.600 -0.040 0.000 2.175 426 M HA -0.066 4.414 4.480 0.000 0.000 0.264 426 M C 2.307 178.562 176.300 -0.076 0.000 1.063 426 M CA 0.788 56.056 55.300 -0.053 0.000 1.119 426 M CB -1.325 31.244 32.600 -0.053 0.000 1.377 426 M HN -0.060 nan 8.290 nan 0.000 0.415 427 S N 0.466 116.119 115.700 -0.078 0.000 2.368 427 S HA -0.087 4.384 4.470 0.000 0.000 0.225 427 S C 2.011 176.568 174.600 -0.071 0.000 1.030 427 S CA 0.940 59.084 58.200 -0.093 0.000 0.999 427 S CB -0.179 62.977 63.200 -0.073 0.000 0.844 427 S HN 0.487 nan 8.310 nan 0.000 0.459 428 L N 0.814 122.008 121.223 -0.048 0.000 2.141 428 L HA -0.035 4.305 4.340 0.000 0.000 0.209 428 L C 2.508 179.361 176.870 -0.029 0.000 1.094 428 L CA 1.198 56.018 54.840 -0.034 0.000 0.763 428 L CB -0.434 41.611 42.059 -0.024 0.000 0.908 428 L HN 0.378 nan 8.230 nan 0.000 0.437 429 S N -0.243 115.437 115.700 -0.032 0.000 2.371 429 S HA -0.110 4.360 4.470 0.000 0.000 0.224 429 S C 1.779 176.366 174.600 -0.023 0.000 1.029 429 S CA 0.682 58.869 58.200 -0.021 0.000 0.978 429 S CB -0.090 63.097 63.200 -0.022 0.000 0.833 429 S HN 0.195 nan 8.310 nan 0.000 0.466 430 L N 1.022 122.215 121.223 -0.051 0.000 2.079 430 L HA 0.098 4.439 4.340 0.000 0.000 0.210 430 L C 1.530 178.385 176.870 -0.026 0.000 1.081 430 L CA 1.701 56.508 54.840 -0.054 0.000 0.752 430 L CB -2.174 39.805 42.059 -0.134 0.000 0.896 430 L HN 0.510 nan 8.230 nan 0.000 0.433 431 G N -0.680 108.101 108.800 -0.033 0.000 2.712 431 G HA2 -0.147 3.813 3.960 0.000 0.000 0.683 431 G HA3 -0.147 3.813 3.960 0.000 0.000 0.683 431 G C -0.400 174.479 174.900 -0.036 0.000 1.320 431 G CA -0.575 44.515 45.100 -0.017 0.000 0.847 431 G HN 0.212 nan 8.290 nan 0.000 0.553 432 E N -0.345 119.841 120.200 -0.024 0.000 2.259 432 E HA 0.666 5.016 4.350 0.000 0.000 0.257 432 E C 0.106 176.717 176.600 0.017 0.000 0.998 432 E CA -0.629 55.743 56.400 -0.047 0.000 0.866 432 E CB 1.630 31.312 29.700 -0.029 0.000 1.220 432 E HN 0.832 nan 8.360 nan 0.000 0.415 433 H N -1.564 117.442 119.070 -0.106 0.000 2.961 433 H HA 0.511 5.068 4.556 0.000 0.000 0.371 433 H C -1.136 173.989 175.328 -0.339 0.000 1.190 433 H CA -0.970 54.953 56.048 -0.209 0.000 1.138 433 H CB 2.052 31.748 29.762 -0.110 0.000 1.816 433 H HN 0.337 nan 8.280 nan 0.000 0.551 434 E N 2.062 122.023 120.200 -0.399 0.000 2.179 434 E HA 0.502 4.853 4.350 0.000 0.000 0.275 434 E C -1.354 174.823 176.600 -0.705 0.000 0.945 434 E CA -0.985 55.169 56.400 -0.408 0.000 0.792 434 E CB 2.333 31.851 29.700 -0.302 0.000 1.125 434 E HN 0.390 nan 8.360 nan 0.000 0.397 435 V N 2.863 122.433 119.914 -0.573 0.000 3.147 435 V HA 0.255 4.376 4.120 0.000 0.000 0.306 435 V C -1.013 174.911 176.094 -0.284 0.000 1.209 435 V CA -0.866 61.072 62.300 -0.604 0.000 1.023 435 V CB 2.402 33.579 31.823 -1.078 0.000 1.059 435 V HN 0.679 nan 8.190 nan 0.000 0.435 436 E N 2.134 122.248 120.200 -0.143 0.000 2.151 436 E HA 0.629 4.979 4.350 0.000 0.000 0.275 436 E C -0.739 175.886 176.600 0.041 0.000 0.936 436 E CA -0.588 55.785 56.400 -0.046 0.000 0.777 436 E CB 2.439 32.126 29.700 -0.022 0.000 1.108 436 E HN 0.472 nan 8.360 nan 0.000 0.401 437 R N 2.108 122.624 120.500 0.027 0.000 2.795 437 R HA 0.236 4.576 4.340 0.000 0.000 0.275 437 R C -1.399 174.900 176.300 -0.000 0.000 0.981 437 R CA -0.681 55.462 56.100 0.071 0.000 0.917 437 R CB 1.157 31.521 30.300 0.107 0.000 1.202 437 R HN 0.304 nan 8.270 nan 0.000 0.469 438 D N 3.700 124.082 120.400 -0.030 0.000 2.280 438 D HA 0.146 4.786 4.640 0.000 0.000 0.243 438 D C -0.365 175.795 176.300 -0.233 0.000 1.129 438 D CA -0.191 53.687 54.000 -0.204 0.000 0.848 438 D CB 1.042 41.623 40.800 -0.365 0.000 1.107 438 D HN 0.334 nan 8.370 nan 0.000 0.471 439 R N 2.808 123.182 120.500 -0.210 0.000 2.230 439 R HA 0.263 4.603 4.340 0.000 0.000 0.337 439 R C -0.714 175.504 176.300 -0.138 0.000 1.063 439 R CA -0.514 55.526 56.100 -0.099 0.000 0.935 439 R CB -0.428 29.853 30.300 -0.032 0.000 1.121 439 R HN 0.269 nan 8.270 nan 0.000 0.486 453 A N 0.477 123.187 122.820 -0.184 0.000 2.577 453 A HA 0.592 4.912 4.320 0.000 0.000 0.297 453 A C -1.719 175.797 177.584 -0.114 0.000 1.060 453 A CA -0.602 51.369 52.037 -0.110 0.000 0.697 453 A CB 1.045 20.002 19.000 -0.072 0.000 1.281 453 A HN 0.018 nan 8.150 nan 0.000 0.402 454 L N 2.085 123.262 121.223 -0.077 0.000 2.276 454 L HA 0.522 4.862 4.340 0.000 0.000 0.286 454 L C 0.264 177.106 176.870 -0.047 0.000 1.061 454 L CA -0.240 54.563 54.840 -0.062 0.000 0.807 454 L CB 1.393 43.424 42.059 -0.047 0.000 1.177 454 L HN 0.916 nan 8.230 nan 0.000 0.429 455 E N 2.976 123.152 120.200 -0.041 0.000 2.238 455 E HA 0.619 4.970 4.350 0.000 0.000 0.267 455 E C -1.021 175.553 176.600 -0.042 0.000 0.887 455 E CA -1.206 55.174 56.400 -0.035 0.000 0.769 455 E CB 2.029 31.715 29.700 -0.023 0.000 1.187 455 E HN 0.244 nan 8.360 nan 0.000 0.416 456 R N 1.353 121.824 120.500 -0.049 0.000 2.312 456 R HA 0.582 4.922 4.340 0.000 0.000 0.311 456 R C -1.299 174.960 176.300 -0.069 0.000 1.004 456 R CA -0.701 55.355 56.100 -0.072 0.000 0.902 456 R CB 1.778 32.036 30.300 -0.070 0.000 1.073 456 R HN 0.472 nan 8.270 nan 0.000 0.457 457 V N 3.706 123.561 119.914 -0.099 0.000 2.711 457 V HA 0.456 4.576 4.120 0.000 0.000 0.304 457 V C -0.602 175.435 176.094 -0.095 0.000 1.097 457 V CA -0.878 61.378 62.300 -0.074 0.000 0.906 457 V CB 2.164 33.964 31.823 -0.038 0.000 1.015 457 V HN 0.620 nan 8.190 nan 0.000 0.427 458 R N 3.905 124.373 120.500 -0.053 0.000 2.407 458 R HA 0.739 5.079 4.340 0.000 0.000 0.303 458 R C -0.731 175.578 176.300 0.015 0.000 0.981 458 R CA -0.251 55.830 56.100 -0.033 0.000 0.905 458 R CB 1.554 31.829 30.300 -0.041 0.000 1.099 458 R HN 0.979 nan 8.270 nan 0.000 0.459 459 E N 3.001 123.232 120.200 0.051 0.000 2.429 459 E HA 0.355 4.705 4.350 0.000 0.000 0.280 459 E C -1.186 175.375 176.600 -0.065 0.000 1.068 459 E CA -1.200 55.216 56.400 0.028 0.000 0.837 459 E CB 0.891 30.650 29.700 0.099 0.000 1.357 459 E HN 0.262 nan 8.360 nan 0.000 0.455 460 R N 0.935 121.411 120.500 -0.041 0.000 2.347 460 R HA 0.157 4.497 4.340 0.000 0.000 0.304 460 R C 0.913 177.163 176.300 -0.083 0.000 1.072 460 R CA -0.130 55.927 56.100 -0.072 0.000 0.980 460 R CB 1.071 31.349 30.300 -0.037 0.000 0.986 460 R HN 0.502 nan 8.270 nan 0.000 0.448 461 V N 2.832 122.646 119.914 -0.167 0.000 2.407 461 V HA -0.125 3.995 4.120 0.000 0.000 0.248 461 V C 0.957 177.110 176.094 0.099 0.000 1.055 461 V CA 1.418 63.680 62.300 -0.064 0.000 1.049 461 V CB 0.026 31.813 31.823 -0.060 0.000 0.662 461 V HN 0.389 nan 8.190 nan 0.000 0.455 462 V N 0.891 120.768 119.914 -0.062 0.000 2.447 462 V HA 0.351 4.471 4.120 0.000 0.000 0.292 462 V C -0.126 175.892 176.094 -0.127 0.000 1.021 462 V CA -0.466 61.737 62.300 -0.162 0.000 0.850 462 V CB 1.569 33.105 31.823 -0.477 0.000 1.005 462 V HN 0.255 nan 8.190 nan 0.000 0.426 463 M N 5.602 125.155 119.600 -0.079 0.000 2.245 463 M HA 0.169 4.649 4.480 0.000 0.000 0.330 463 M C -1.312 174.949 176.300 -0.065 0.000 1.098 463 M CA -0.997 54.270 55.300 -0.055 0.000 1.172 463 M CB 0.964 33.542 32.600 -0.035 0.000 1.467 463 M HN 0.321 nan 8.290 nan 0.000 0.454 464 P HA -0.133 nan 4.420 nan 0.000 0.215 464 P C 0.793 178.075 177.300 -0.030 0.000 1.153 464 P CA 1.586 64.661 63.100 -0.042 0.000 0.853 464 P CB -0.015 31.668 31.700 -0.029 0.000 0.788 465 A N -0.070 122.737 122.820 -0.022 0.000 2.019 465 A HA -0.229 4.091 4.320 0.000 0.000 0.219 465 A C 2.064 179.644 177.584 -0.006 0.000 1.164 465 A CA 1.530 53.560 52.037 -0.012 0.000 0.644 465 A CB -1.059 17.935 19.000 -0.010 0.000 0.805 465 A HN 0.220 nan 8.150 nan 0.000 0.449 466 E N -0.420 119.772 120.200 -0.013 0.000 2.107 466 E HA -0.086 4.265 4.350 0.000 0.000 0.191 466 E C 1.786 178.409 176.600 0.039 0.000 0.982 466 E CA 0.989 57.397 56.400 0.013 0.000 0.809 466 E CB -0.217 29.486 29.700 0.005 0.000 0.756 466 E HN 0.713 nan 8.360 nan 0.000 0.459 467 I N 1.145 121.715 120.570 -0.000 0.000 2.286 467 I HA -0.190 3.981 4.170 0.000 0.000 0.245 467 I C 2.488 178.621 176.117 0.027 0.000 1.104 467 I CA 0.768 62.077 61.300 0.016 0.000 1.397 467 I CB -0.184 37.794 38.000 -0.037 0.000 1.072 467 I HN 0.042 nan 8.210 nan 0.000 0.417 468 A N 0.266 123.093 122.820 0.011 0.000 2.015 468 A HA -0.100 4.220 4.320 0.000 0.000 0.219 468 A C 1.754 179.348 177.584 0.017 0.000 1.163 468 A CA 1.276 53.320 52.037 0.011 0.000 0.646 468 A CB -0.382 18.620 19.000 0.004 0.000 0.806 468 A HN 0.409 nan 8.150 nan 0.000 0.448 469 N N -0.158 118.555 118.700 0.022 0.000 2.251 469 N HA 0.203 4.943 4.740 0.000 0.000 0.217 469 N C -0.429 175.101 175.510 0.033 0.000 1.124 469 N CA -0.031 53.032 53.050 0.022 0.000 0.843 469 N CB 0.296 38.792 38.487 0.016 0.000 1.024 469 N HN 0.389 nan 8.380 nan 0.000 0.501 470 L N 3.166 124.418 121.223 0.049 0.000 2.410 470 L HA 0.175 4.515 4.340 0.000 0.000 0.273 470 L C -1.621 175.269 176.870 0.033 0.000 1.152 470 L CA -1.079 53.797 54.840 0.060 0.000 0.855 470 L CB 0.554 42.671 42.059 0.096 0.000 1.129 470 L HN -0.089 nan 8.230 nan 0.000 0.463 471 P HA 0.097 nan 4.420 nan 0.000 0.274 471 P C -0.874 176.432 177.300 0.010 0.000 1.237 471 P CA -0.601 62.505 63.100 0.010 0.000 0.793 471 P CB 0.814 32.515 31.700 0.001 0.000 0.977 472 D N 1.104 121.509 120.400 0.008 0.000 2.362 472 D HA 0.039 4.679 4.640 0.000 0.000 0.238 472 D C 1.199 177.502 176.300 0.005 0.000 1.212 472 D CA 0.212 54.217 54.000 0.009 0.000 0.902 472 D CB 0.274 41.079 40.800 0.008 0.000 1.180 472 D HN 0.445 nan 8.370 nan 0.000 0.445 473 L N -0.542 120.686 121.223 0.008 0.000 4.040 473 L HA -0.232 4.108 4.340 0.000 0.000 0.410 473 L C -0.089 176.778 176.870 -0.006 0.000 1.187 473 L CA 0.572 55.415 54.840 0.005 0.000 0.956 473 L CB -2.232 39.828 42.059 0.002 0.000 2.022 473 L HN 0.318 nan 8.230 nan 0.000 0.897 474 T N -0.327 114.222 114.554 -0.008 0.000 2.861 474 T HA 0.834 5.185 4.350 0.000 0.000 0.287 474 T C -0.094 174.590 174.700 -0.027 0.000 1.003 474 T CA 0.123 62.201 62.100 -0.037 0.000 0.977 474 T CB 2.311 71.151 68.868 -0.045 0.000 0.996 474 T HN 0.395 nan 8.240 nan 0.000 0.448 475 A N 2.284 125.062 122.820 -0.070 0.000 2.594 475 A HA 0.765 5.085 4.320 0.000 0.000 0.295 475 A C -2.128 175.401 177.584 -0.092 0.000 1.071 475 A CA -0.769 51.258 52.037 -0.016 0.000 0.685 475 A CB 1.138 20.145 19.000 0.011 0.000 1.285 475 A HN 0.755 nan 8.150 nan 0.000 0.405 476 Y N 0.458 120.747 120.300 -0.018 0.000 2.328 476 Y HA 0.499 5.049 4.550 0.001 0.000 0.337 476 Y C 0.117 175.980 175.900 -0.061 0.000 1.008 476 Y CA -0.226 57.861 58.100 -0.023 0.000 1.129 476 Y CB 1.983 40.436 38.460 -0.011 0.000 1.185 476 Y HN 0.388 nan 8.280 nan 0.000 0.476 477 V N 3.115 123.049 119.914 0.035 0.000 2.384 477 V HA 0.619 4.740 4.120 0.000 0.000 0.287 477 V C 0.193 176.207 176.094 -0.133 0.000 1.020 477 V CA -0.716 61.502 62.300 -0.135 0.000 0.850 477 V CB 1.428 33.113 31.823 -0.230 0.000 0.987 477 V HN 0.932 nan 8.190 nan 0.000 0.436 478 G N 4.344 113.040 108.800 -0.173 0.000 3.039 478 G HA2 0.579 4.539 3.960 0.000 0.000 0.329 478 G HA3 0.579 4.539 3.960 0.000 0.000 0.329 478 G C -0.756 174.093 174.900 -0.084 0.000 1.361 478 G CA -0.265 44.795 45.100 -0.066 0.000 1.088 478 G HN 0.351 nan 8.290 nan 0.000 0.501 479 F N 1.676 121.672 119.950 0.078 0.000 2.440 479 F HA 0.533 5.060 4.527 0.001 0.000 0.323 479 F C 1.280 177.116 175.800 0.060 0.000 1.192 479 F CA -0.016 58.026 58.000 0.071 0.000 1.252 479 F CB 1.029 40.067 39.000 0.062 0.000 1.214 479 F HN 0.544 nan 8.300 nan 0.000 0.578 480 A N 1.163 124.164 122.820 0.301 0.000 2.448 480 A HA 0.490 4.810 4.320 0.000 0.000 0.239 480 A C 0.796 178.456 177.584 0.127 0.000 1.080 480 A CA 0.335 52.471 52.037 0.165 0.000 0.779 480 A CB -0.845 18.227 19.000 0.121 0.000 1.026 480 A HN 1.617 nan 8.150 nan 0.000 0.499 481 G N 0.467 109.318 108.800 0.086 0.000 2.642 481 G HA2 -0.218 3.742 3.960 0.000 0.000 0.231 481 G HA3 -0.218 3.742 3.960 0.000 0.000 0.231 481 G C 0.083 175.025 174.900 0.071 0.000 1.338 481 G CA 0.101 45.240 45.100 0.065 0.000 0.883 481 G HN 1.414 nan 8.290 nan 0.000 0.570 482 N N 1.687 120.421 118.700 0.057 0.000 2.739 482 N HA 0.324 5.064 4.740 0.000 0.000 0.266 482 N C 0.159 175.706 175.510 0.062 0.000 1.168 482 N CA 0.354 53.438 53.050 0.058 0.000 1.055 482 N CB -0.495 38.019 38.487 0.046 0.000 1.393 482 N HN 0.591 nan 8.380 nan 0.000 0.514 483 R N 1.856 122.405 120.500 0.081 0.000 2.698 483 R HA 0.478 4.818 4.340 0.000 0.000 0.275 483 R C -2.407 173.948 176.300 0.091 0.000 1.001 483 R CA -1.391 54.765 56.100 0.092 0.000 0.896 483 R CB 2.228 32.612 30.300 0.140 0.000 1.218 483 R HN 0.364 nan 8.270 nan 0.000 0.462 484 P HA 0.240 nan 4.420 nan 0.000 0.276 484 P C -0.334 177.026 177.300 0.101 0.000 1.252 484 P CA -0.422 62.715 63.100 0.062 0.000 0.802 484 P CB 0.828 32.542 31.700 0.024 0.000 1.035 485 I N -2.100 118.534 120.570 0.107 0.000 2.918 485 I HA 0.833 5.003 4.170 0.000 0.000 0.316 485 I C -0.694 175.509 176.117 0.143 0.000 1.001 485 I CA -1.243 60.135 61.300 0.129 0.000 1.142 485 I CB 1.633 39.726 38.000 0.155 0.000 1.356 485 I HN 0.436 nan 8.210 nan 0.000 0.524 486 A N 2.814 125.715 122.820 0.135 0.000 2.566 486 A HA 0.443 4.763 4.320 0.000 0.000 0.297 486 A C -1.127 176.412 177.584 -0.074 0.000 1.059 486 A CA -0.833 51.245 52.037 0.068 0.000 0.691 486 A CB 1.436 20.466 19.000 0.050 0.000 1.282 486 A HN 0.790 nan 8.150 nan 0.000 0.401 487 K N 1.940 122.192 120.400 -0.246 0.000 2.285 487 K HA 0.559 4.880 4.320 0.000 0.000 0.286 487 K C -1.197 175.246 176.600 -0.261 0.000 1.072 487 K CA -0.088 55.856 56.287 -0.572 0.000 0.913 487 K CB 0.561 32.652 32.500 -0.682 0.000 1.067 487 K HN 0.467 nan 8.250 nan 0.000 0.479 488 V N 6.896 126.686 119.914 -0.206 0.000 2.735 488 V HA 0.487 4.607 4.120 0.000 0.000 0.310 488 V C -2.254 173.791 176.094 -0.082 0.000 1.061 488 V CA -1.890 60.351 62.300 -0.098 0.000 0.913 488 V CB 1.920 33.719 31.823 -0.040 0.000 1.005 488 V HN 0.850 nan 8.190 nan 0.000 0.428 489 P HA 0.466 nan 4.420 nan 0.000 0.286 489 P C -1.527 175.767 177.300 -0.010 0.000 1.261 489 P CA -0.554 62.526 63.100 -0.033 0.000 0.821 489 P CB 1.687 33.370 31.700 -0.028 0.000 1.013 490 L N 1.676 122.899 121.223 -0.001 0.000 2.295 490 L HA 0.401 4.742 4.340 0.000 0.000 0.285 490 L C 0.896 177.774 176.870 0.013 0.000 1.035 490 L CA -0.162 54.688 54.840 0.016 0.000 0.806 490 L CB 0.685 42.758 42.059 0.024 0.000 1.214 490 L HN 0.427 nan 8.230 nan 0.000 0.426 491 E N 3.626 123.838 120.200 0.020 0.000 2.146 491 E HA 0.291 4.641 4.350 0.000 0.000 0.282 491 E C -0.621 175.984 176.600 0.009 0.000 0.989 491 E CA -0.521 55.884 56.400 0.008 0.000 0.799 491 E CB 0.783 30.486 29.700 0.006 0.000 1.088 491 E HN 0.524 nan 8.360 nan 0.000 0.397 492 I N 5.814 126.382 120.570 -0.005 0.000 2.349 492 I HA 0.023 4.193 4.170 0.000 0.000 0.302 492 I C 0.818 176.902 176.117 -0.055 0.000 1.180 492 I CA 0.086 61.382 61.300 -0.006 0.000 1.405 492 I CB -0.268 37.727 38.000 -0.008 0.000 1.474 492 I HN 0.371 nan 8.210 nan 0.000 0.632 493 K N 4.562 124.913 120.400 -0.081 0.000 2.355 493 K HA 0.062 4.382 4.320 0.000 0.000 0.270 493 K C -0.080 176.294 176.600 -0.377 0.000 1.003 493 K CA -0.296 55.829 56.287 -0.269 0.000 0.957 493 K CB 0.756 33.009 32.500 -0.412 0.000 0.939 493 K HN 0.304 nan 8.250 nan 0.000 0.482 494 Q N 2.517 122.039 119.800 -0.464 0.000 2.256 494 Q HA 0.346 4.686 4.340 0.000 0.000 0.257 494 Q C -1.743 173.896 176.000 -0.602 0.000 0.936 494 Q CA -0.188 55.398 55.803 -0.362 0.000 0.903 494 Q CB 0.764 29.377 28.738 -0.209 0.000 1.263 494 Q HN 0.414 nan 8.270 nan 0.000 0.440 495 F N 1.573 121.439 119.950 -0.139 0.000 2.507 495 F HA 0.680 5.207 4.527 0.000 0.000 0.325 495 F C 0.145 175.849 175.800 -0.160 0.000 1.116 495 F CA -1.041 56.854 58.000 -0.175 0.000 0.930 495 F CB 1.740 40.589 39.000 -0.253 0.000 1.146 495 F HN 0.621 nan 8.300 nan 0.000 0.447 496 A N 2.953 125.798 122.820 0.043 0.000 2.440 496 A HA 0.210 4.530 4.320 0.000 0.000 0.251 496 A C 0.130 177.692 177.584 -0.036 0.000 1.089 496 A CA -0.496 51.538 52.037 -0.006 0.000 0.779 496 A CB -0.069 18.930 19.000 -0.000 0.000 1.022 496 A HN 0.874 nan 8.150 nan 0.000 0.492 497 N N 1.804 120.468 118.700 -0.059 0.000 2.406 497 N HA 0.062 4.802 4.740 0.000 0.000 0.269 497 N C 0.696 176.162 175.510 -0.074 0.000 1.210 497 N CA -0.175 52.821 53.050 -0.090 0.000 0.966 497 N CB 0.517 38.955 38.487 -0.082 0.000 1.293 497 N HN 0.576 nan 8.380 nan 0.000 0.491 498 R N 1.409 121.859 120.500 -0.084 0.000 2.276 498 R HA 0.047 4.387 4.340 0.000 0.000 0.203 498 R C 0.284 176.539 176.300 -0.076 0.000 1.017 498 R CA 0.789 56.855 56.100 -0.056 0.000 1.010 498 R CB 0.241 30.524 30.300 -0.029 0.000 0.900 498 R HN 0.573 nan 8.270 nan 0.000 0.469 499 Q N -0.409 119.325 119.800 -0.110 0.000 2.472 499 Q HA 0.268 4.608 4.340 0.000 0.000 0.281 499 Q C -2.771 173.158 176.000 -0.119 0.000 0.997 499 Q CA -2.181 53.552 55.803 -0.116 0.000 0.828 499 Q CB 3.318 31.967 28.738 -0.150 0.000 1.443 499 Q HN -0.105 nan 8.270 nan 0.000 0.390 500 P HA 0.025 nan 4.420 nan 0.000 0.271 500 P C -0.428 176.818 177.300 -0.089 0.000 1.220 500 P CA 0.322 63.374 63.100 -0.079 0.000 0.768 500 P CB 1.281 32.940 31.700 -0.068 0.000 0.848 501 A N 4.217 127.001 122.820 -0.061 0.000 1.902 501 A HA -0.067 4.253 4.320 0.000 0.000 0.217 501 A C 0.669 178.287 177.584 0.056 0.000 1.181 501 A CA 1.193 53.203 52.037 -0.045 0.000 0.623 501 A CB -0.637 18.339 19.000 -0.041 0.000 0.818 501 A HN 0.576 nan 8.150 nan 0.000 0.443 502 F N -0.700 119.201 119.950 -0.082 0.000 2.562 502 F HA 0.538 5.065 4.527 0.001 0.000 0.319 502 F C -1.102 174.677 175.800 -0.035 0.000 1.154 502 F CA -1.035 56.934 58.000 -0.051 0.000 0.931 502 F CB 2.120 41.096 39.000 -0.040 0.000 1.198 502 F HN -0.191 nan 8.300 nan 0.000 0.444 503 V N 5.845 125.347 119.914 -0.686 0.000 2.284 503 V HA 0.215 4.335 4.120 0.000 0.000 0.274 503 V C -0.143 175.514 176.094 -0.729 0.000 1.023 503 V CA -0.783 61.220 62.300 -0.494 0.000 0.808 503 V CB 1.051 32.705 31.823 -0.283 0.000 1.035 503 V HN 0.763 nan 8.190 nan 0.000 0.445 504 E N 3.537 123.386 120.200 -0.585 0.000 2.376 504 E HA 0.422 4.772 4.350 0.000 0.000 0.266 504 E C 0.494 177.021 176.600 -0.121 0.000 1.009 504 E CA 0.078 56.305 56.400 -0.288 0.000 0.902 504 E CB 0.930 30.731 29.700 0.168 0.000 0.972 504 E HN 0.745 nan 8.360 nan 0.000 0.439 505 G N 2.668 111.432 108.800 -0.061 0.000 2.417 505 G HA2 0.332 4.292 3.960 0.000 0.000 0.334 505 G HA3 0.332 4.292 3.960 0.000 0.000 0.334 505 G C -0.020 174.897 174.900 0.029 0.000 1.150 505 G CA -0.177 44.908 45.100 -0.026 0.000 0.923 505 G HN 0.656 nan 8.290 nan 0.000 0.485 506 T N 0.000 114.564 114.554 0.017 0.000 3.816 506 T HA 0.000 4.350 4.350 0.000 0.000 0.228 506 T CA 0.000 62.117 62.100 0.029 0.000 1.349 506 T CB 0.000 68.877 68.868 0.016 0.000 0.612 506 T HN 0.000 nan 8.240 nan 0.000 0.658